A0A3Q0KCC0_SCHMA Loading...

CD36-like class B scavenger receptor

AlphaFold DB , UniProt , Accession A0A3Q0KCC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 545 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
1M47.6Very low70.7Confident187 Ų187108.5 Ų108.592%0.92156%0.564SS**  0123.40-67.6-176.9-162.100108.7R3M1-R3 PolarHBondContact O-N 3.43Å
2A51.9Low72.1Confident103 Ų103103.2 Ų103.285%0.85154%0.537SS*.  trans-59.2114.6-17800000110.3I4A2-I4 PolarHBondContact O-N 3.49Å
3R60.3Low73.4Confident209 Ų209102.5 Ų102.579%0.78953%0.533SS*.PPolyproline II helixtrans-56.6122.8172.2-83.6-175.9-178.1-177.11.8107.5M1 S5M1-R3 PolarHBondContact O-N 3.43Å; R3-S5 PolarHBondContact O-N 3.38Å
4I61Low74.8Confident29 Ų29103.1 Ų103.115%0.14954%0.537CS..PPolyproline II helixtrans-54.3119167-57.9176.4000106.7A2 N8 R9 L12A2-I4 PolarHBondContact O-N 3.49Å; I4-N8 HydrophobicContact CG2-CB 3.22Å; I4-R9 HydrophobicContact CB-CG 3.93Å; I4-R9 HydrophobicContact CG2-CB 4.46Å; I4-R9 HydrophobicContact CG2-CG 3.59Å; I4-L12 HydrophobicContact CD1-CD1 4.24Å
5S69.7Low76Confident50 Ų5099.3 Ų99.335%0.3552%0.522SS..PPolyproline II helixtrans-53.4144.917561.30000109.2R3 P7 N8 R9R3-S5 PolarHBondContact O-N 3.38Å; S5-P7 VanDerWaalsContact O-N 3.14Å; S5-P7 WeakPolarHBondContact OG-CG 3.4Å; S5-N8 PolarHBondContact O-N 2.99Å; S5-N8 PolarHBondContact OG-ND2 3.12Å; S5-N8 PolarHBondContact OG-OD1 2.74Å; S5-R9 PolarHBondContact O-N 3.43Å
6K74.8Confident77.1Confident176 Ų17693.9 Ų93.977%0.76550%0.495SS*.Hα-helixtrans-42.5-45.2173.8-74.2-175.7178.5179.90113.2N8 R9 I10K6-N8 PolarHBondContact O-N 3.3Å; K6-R9 PolarHBondContact O-N 3.07Å; K6-I10 WeakPolarHBondContact O-CG1 3.41Å; K6-I10 PolarHBondContact O-N 3.06Å
7P80.2Confident78.1Confident83 Ų8393.5 Ų93.554%0.53950%0.496SS..Hα-helixtrans-60.9-39.7177.520.5-32.8000113.5S5 R9 I10 C11S5-P7 VanDerWaalsContact O-N 3.14Å; S5-P7 WeakPolarHBondContact OG-CG 3.4Å; P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 3.34Å; P7-I10 PolarHBondContact O-N 3.22Å; P7-C11 WeakPolarHBondContact O-CB 3.36Å; P7-C11 PolarHBondContact O-N 3.07Å
8N78.9Confident79.1Confident94 Ų9491.6 Ų91.650%0.50350%0.496SS..Hα-helixtrans-68.6-31.9179.8-70.85.9000112.3I4 S5 K6 L12I4-N8 HydrophobicContact CG2-CB 3.22Å; S5-N8 PolarHBondContact O-N 2.99Å; S5-N8 PolarHBondContact OG-ND2 3.12Å; S5-N8 PolarHBondContact OG-OD1 2.74Å; K6-N8 PolarHBondContact O-N 3.3Å; N8-L12 WeakPolarHBondContact O-CG 3.34Å; N8-L12 PolarHBondContact O-N 3.47Å; N8-L12 VanDerWaalsContact O-N 3.13Å
9R79.5Confident80Confident89 Ų8988.9 Ų88.934%0.33648%0.481SS..Hα-helixtrans-67.6-43.4173.8-68.5-172.1179.2-161.7-7.4111.6I4 S5 K6 P7 C11 L12 I13 T480I4-R9 HydrophobicContact CB-CG 3.93Å; I4-R9 HydrophobicContact CG2-CB 4.46Å; I4-R9 HydrophobicContact CG2-CG 3.59Å; S5-R9 PolarHBondContact O-N 3.43Å; K6-R9 PolarHBondContact O-N 3.07Å; P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 3.34Å; R9-C11 VanDerWaalsContact C-N 3.34Å; R9-L12 PolarHBondContact O-N 3.05Å; R9-I13 WeakPolarHBondContact O-CG1 3.31Å; R9-I13 PolarHBondContact O-N 3.47Å; R9-T480 PolarHBondContact NH2-OG1 3.3Å
10I85.1Confident80.8Confident100 Ų10088.2 Ų88.251%0.51348%0.476SS..Hα-helixtrans-62.1-45.3177.4-65.4167.1000109.9K6 P7 L12 I13 L14K6-I10 WeakPolarHBondContact O-CG1 3.41Å; K6-I10 PolarHBondContact O-N 3.06Å; P7-I10 PolarHBondContact O-N 3.22Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.05Å; I10-I13 PolarHBondContact O-N 3.19Å; I10-L14 HydrophobicContact CG2-CD1 3.91Å; I10-L14 HydrophobicContact CG2-CG 4.29Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.68Å
11C88.6Confident81.6Confident73 Ų7390 Ų9049%0.49348%0.48SS..Hα-helixtrans-58.1-43.5177.1-173.90000112.6P7 R9 L14 S15P7-C11 WeakPolarHBondContact O-CB 3.36Å; P7-C11 PolarHBondContact O-N 3.07Å; R9-C11 VanDerWaalsContact C-N 3.34Å; C11-L14 PolarHBondContact O-N 2.95Å; C11-S15 WeakPolarHBondContact O-CB 3.3Å; C11-S15 PolarHBondContact O-N 3.29Å; C11-S15 PolarHBondContact O-OG 3.08Å
12L88Confident83.9Confident45 Ų4584.5 Ų84.524%0.23645%0.454CS..Hα-helixtrans-64.9-41.4176.4-72.7169.3000112.6I4 N8 R9 I10 S15 V16 L469 L473I4-L12 HydrophobicContact CD1-CD1 4.24Å; N8-L12 WeakPolarHBondContact O-CG 3.34Å; N8-L12 PolarHBondContact O-N 3.47Å; N8-L12 VanDerWaalsContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 3.05Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.05Å; L12-S15 WeakPolarHBondContact O-CB 3.44Å; L12-S15 PolarHBondContact O-N 3.41Å; L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 3.2Å; L12-L469 HydrophobicContact CD2-CD2 4.09Å; L12-L473 HydrophobicContact CB-CD1 4.32Å; L12-L473 HydrophobicContact CB-CD2 3.92Å; L12-L473 HydrophobicContact CB-CG 4.47Å; L12-L473 HydrophobicContact CD1-CD2 3.84Å
13I89.3Confident86Confident94 Ų9480.1 Ų80.148%0.48242%0.417SS..Hα-helixtrans-63.9-46.2176.9-67.2166.2000110.3R9 I10 S15 V16 V17 L473R9-I13 WeakPolarHBondContact O-CG1 3.31Å; R9-I13 PolarHBondContact O-N 3.47Å; I10-I13 PolarHBondContact O-N 3.19Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 3.12Å; I13-V16 PolarHBondContact O-N 3.34Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.39Å; I13-L473 HydrophobicContact CG1-CD1 4.38Å
14L92.6Very high87.7Confident112 Ų11274.7 Ų74.759%0.58640%0.403SS*.Hα-helixtrans-60.2-38.3175.9-69.6174.1000111.9I10 C11 V17 A18I10-L14 HydrophobicContact CG2-CD1 3.91Å; I10-L14 HydrophobicContact CG2-CG 4.29Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.68Å; C11-L14 PolarHBondContact O-N 2.95Å; L14-V17 PolarHBondContact O-N 3.5Å; L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 3.17Å
15S93.3Very high89.4Confident46 Ų4677.4 Ų77.432%0.32242%0.417SS..Hα-helixtrans-64-43.2176-56.90000112C11 L12 I13 A18 L19C11-S15 WeakPolarHBondContact O-CB 3.3Å; C11-S15 PolarHBondContact O-N 3.29Å; C11-S15 PolarHBondContact O-OG 3.08Å; L12-S15 WeakPolarHBondContact O-CB 3.44Å; L12-S15 PolarHBondContact O-N 3.41Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 3.12Å; S15-A18 PolarHBondContact O-N 2.8Å; S15-L19 WeakPolarHBondContact O-CB 3.35Å; S15-L19 VanDerWaalsContact O-CG 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.28Å; S15-L19 PolarHBondContact O-N 3.18Å
16V93.3Very high90.7Very high13 Ų1375.3 Ų75.38%0.07940%0.403CS..Hα-helixtrans-61.4-46.9174.9169.40000110.8L12 I13 A18 L19 L20 L469 I470 L473L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 3.2Å; I13-V16 PolarHBondContact O-N 3.34Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 3.04Å; V16-L19 PolarHBondContact O-N 2.93Å; V16-L20 HydrophobicContact CG1-CD1 3.92Å; V16-L20 HydrophobicContact CG1-CG 4.31Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 WeakPolarHBondContact O-CG 3.31Å; V16-L20 PolarHBondContact O-N 2.94Å; V16-L469 HydrophobicContact CG2-CB 3.55Å; V16-L469 HydrophobicContact CG2-CD1 4.17Å; V16-I470 HydrophobicContact CG1-CD1 3.8Å; V16-I470 HydrophobicContact CG1-CG1 3.63Å; V16-I470 HydrophobicContact CG2-CG1 4.18Å; V16-L473 HydrophobicContact CG2-CD1 4.13Å
17V94.3Very high91.6Very high86 Ų8669.8 Ų69.852%0.52138%0.384SS..Hα-helixtrans-60.2-44.5178.4173.30000110.8I13 L14 L19 L20 F21I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.39Å; L14-V17 PolarHBondContact O-N 3.5Å; V17-L19 PolarHBondContact O-N 3.36Å; V17-L20 PolarHBondContact O-N 3.04Å; V17-F21 VanDerWaalsContact O-CB 3.29Å; V17-F21 WeakPolarHBondContact O-CB 3.27Å; V17-F21 PolarHBondContact O-N 3.01Å
18A95.9Very high92.4Very high60 Ų6070.2 Ų70.250%0.49638%0.38SS..Hα-helixtrans-62.2-41.9177.300000112.5L14 S15 V16 F21 L22L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 3.17Å; S15-A18 PolarHBondContact O-N 2.8Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 3.04Å; A18-F21 PolarHBondContact O-N 3.4Å; A18-L22 WeakPolarHBondContact O-CB 3.43Å; A18-L22 PolarHBondContact O-N 3.48Å
19L96.5Very high93.1Very high41 Ų4166.6 Ų66.622%0.21537%0.365CS..Hα-helixtrans-68.5-40.9178-72.8167.3000112.5S15 V16 V17 F21 L22 S23 A462 A466 L469S15-L19 WeakPolarHBondContact O-CB 3.35Å; S15-L19 VanDerWaalsContact O-CG 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.28Å; S15-L19 PolarHBondContact O-N 3.18Å; V16-L19 PolarHBondContact O-N 2.93Å; V17-L19 PolarHBondContact O-N 3.36Å; L19-F21 VanDerWaalsContact C-N 3.33Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 2.82Å; L19-A462 HydrophobicContact CD2-CB 4.23Å; L19-A466 HydrophobicContact CB-CB 3.88Å; L19-L469 HydrophobicContact CD1-CD1 3.57Å
20L95.8Very high93.8Very high73 Ų7365.2 Ų65.238%0.38236%0.364SS..Hα-helixtrans-64.3-40.3174-70.2176.7000111.2V16 V17 S23 L24 L463 A466V16-L20 HydrophobicContact CG1-CD1 3.92Å; V16-L20 HydrophobicContact CG1-CG 4.31Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 WeakPolarHBondContact O-CG 3.31Å; V16-L20 PolarHBondContact O-N 2.94Å; V17-L20 PolarHBondContact O-N 3.04Å; L20-S23 PolarHBondContact O-N 3.34Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.43Å; L20-L463 HydrophobicContact CD2-CD1 4.27Å; L20-A466 HydrophobicContact CD2-CB 3.72Å; L20-A466 HydrophobicContact CG-CB 3.97Å
21F96.6Very high94.2Very high128 Ų12868.7 Ų68.756%0.56138%0.376SS*.Hα-helixtrans-65.4-42.4176-170.1-108.8000112V17 A18 L19 L24 I25V17-F21 VanDerWaalsContact O-CB 3.29Å; V17-F21 WeakPolarHBondContact O-CB 3.27Å; V17-F21 PolarHBondContact O-N 3.01Å; A18-F21 PolarHBondContact O-N 3.4Å; L19-F21 VanDerWaalsContact C-N 3.33Å; F21-L24 WeakPolarHBondContact O-CB 3.42Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-I25 HydrophobicContact CD1-CD1 3.61Å; F21-I25 HydrophobicContact CD1-CG1 4.43Å; F21-I25 HydrophobicContact CE1-CD1 3.34Å; F21-I25 HydrophobicContact CE1-CG1 4.23Å; F21-I25 HydrophobicContact CG-CD1 4.43Å; F21-I25 HydrophobicContact CZ-CD1 3.96Å; F21-I25 HydrophobicContact CZ-CG1 4.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.34Å; F21-I25 PolarHBondContact O-N 2.92Å
22L96.7Very high94.5Very high71 Ų7167.8 Ų67.837%0.37237%0.368SS..Hα-helixtrans-60.9-46.6173.5178.961.7000111.5A18 L19 L24 I25 C26 V458 A462A18-L22 WeakPolarHBondContact O-CB 3.43Å; A18-L22 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.42Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 3.49Å; L22-I25 PolarHBondContact O-N 3.37Å; L22-C26 PolarHBondContact O-N 3.19Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.41Å; L22-V458 HydrophobicContact CD2-CG1 4.39Å; L22-A462 HydrophobicContact CB-CB 4.36Å; L22-A462 HydrophobicContact CD2-CB 3.96Å; L22-A462 HydrophobicContact CG-CB 4.14Å
23S95.9Very high94.7Very high11 Ų1166.7 Ų66.78%0.07736%0.362CS..Hα-helixtrans-58.4-42.8174.9-1800000111.4L19 L20 C26 V27 G459L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 2.82Å; L20-S23 PolarHBondContact O-N 3.34Å; S23-C26 PolarHBondContact O-N 3.42Å; S23-V27 VanDerWaalsContact O-CG2 3.27Å; S23-V27 WeakPolarHBondContact O-CG2 3.27Å; S23-V27 PolarHBondContact O-N 3.06Å; S23-G459 PolarHBondContact OG-O 3.45Å
24L96Very high94.6Very high95 Ų9567.5 Ų67.550%0.49737%0.367SS..Hα-helixtrans-63.9-44.7178-179.362.8000111.6L20 F21 L22 C26 V27 I28L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.43Å; F21-L24 WeakPolarHBondContact O-CB 3.42Å; F21-L24 PolarHBondContact O-N 3.42Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 3.49Å; L24-C26 VanDerWaalsContact C-N 3.35Å; L24-C26 PolarHBondContact O-N 3.26Å; L24-V27 PolarHBondContact O-N 3.35Å; L24-I28 HydrophobicContact CD1-CD1 4.2Å; L24-I28 HydrophobicContact CD1-CG1 4.41Å; L24-I28 HydrophobicContact CG-CD1 3.96Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.88Å
25I96.3Very high94.4Very high85 Ų8569 Ų6944%0.43637%0.371SS..Hα-helixtrans-59.4-45.6175.1-71.2167.2000110.8F21 L22 V27 I28 G29F21-I25 HydrophobicContact CD1-CD1 3.61Å; F21-I25 HydrophobicContact CD1-CG1 4.43Å; F21-I25 HydrophobicContact CE1-CD1 3.34Å; F21-I25 HydrophobicContact CE1-CG1 4.23Å; F21-I25 HydrophobicContact CG-CD1 4.43Å; F21-I25 HydrophobicContact CZ-CD1 3.96Å; F21-I25 HydrophobicContact CZ-CG1 4.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.34Å; F21-I25 PolarHBondContact O-N 2.92Å; L22-I25 PolarHBondContact O-N 3.37Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 2.91Å; I25-I28 PolarHBondContact O-N 3.31Å; I25-G29 PolarHBondContact O-N 3.24Å
26C96.5Very high94.2Very high7 Ų771.3 Ų71.35%0.04738%0.378CS..Hα-helixtrans-61-42.2177.9-730000111.8L22 S23 L24 G29 L30 L455L22-C26 PolarHBondContact O-N 3.19Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.41Å; S23-C26 PolarHBondContact O-N 3.42Å; L24-C26 VanDerWaalsContact C-N 3.35Å; L24-C26 PolarHBondContact O-N 3.26Å; C26-G29 CarbonylContact O-C 3.59Å; C26-G29 PolarHBondContact O-N 3.13Å; C26-L30 WeakPolarHBondContact O-CG 3.45Å; C26-L30 PolarHBondContact O-N 3.4Å; C26-L455 WeakPolarHBondContact CB-O 3.33Å
27V95.2Very high94Very high60 Ų6071.9 Ų71.936%0.36438%0.38SS..Hα-helixtrans-64.3-48.1176.9171.50000111.1S23 L24 I25 G29 L30 F31S23-V27 VanDerWaalsContact O-CG2 3.27Å; S23-V27 WeakPolarHBondContact O-CG2 3.27Å; S23-V27 PolarHBondContact O-N 3.06Å; L24-V27 PolarHBondContact O-N 3.35Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 2.91Å; V27-G29 PolarHBondContact O-N 2.88Å; V27-L30 WeakPolarHBondContact O-CB 3.45Å; V27-L30 PolarHBondContact O-N 2.83Å; V27-L30 VanDerWaalsContact O-N 3.15Å; V27-F31 HydrophobicContact CG1-CD2 3.75Å; V27-F31 HydrophobicContact CG1-CE2 3.59Å; V27-F31 WeakPolarHBondContact O-CD2 3.49Å; V27-F31 PolarHBondContact O-N 3.44Å
28I95.6Very high93.5Very high92 Ų9270.1 Ų70.147%0.47237%0.374SS..Hα-helixtrans-58.2-42.5174-66.5167.1000110.2L24 I25 L30 F31 T32L24-I28 HydrophobicContact CD1-CD1 4.2Å; L24-I28 HydrophobicContact CD1-CG1 4.41Å; L24-I28 HydrophobicContact CG-CD1 3.96Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.88Å; I25-I28 PolarHBondContact O-N 3.31Å; I28-L30 PolarHBondContact O-N 2.75Å; I28-F31 PolarHBondContact O-N 3.39Å; I28-T32 HydrophobicContact CG2-CG2 4.28Å; I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 WeakPolarHBondContact O-CG2 3.33Å; I28-T32 PolarHBondContact O-N 3.34Å; I28-T32 PolarHBondContact O-OG1 3.49Å
29G94.8Very high93Very high17 Ų1769.6 Ų69.618%0.17537%0.367CS..Hα-helixtrans-56.9-46.617500000111.9I25 C26 V27 T32 F33I25-G29 PolarHBondContact O-N 3.24Å; C26-G29 CarbonylContact O-C 3.59Å; C26-G29 PolarHBondContact O-N 3.13Å; V27-G29 PolarHBondContact O-N 2.88Å; G29-T32 PolarHBondContact O-N 3.2Å; G29-T32 PolarHBondContact O-OG1 2.89Å; G29-F33 VanDerWaalsContact O-CA 3.3Å; G29-F33 WeakPolarHBondContact O-CA 3.48Å; G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 3.48Å
30L94.3Very high92.5Very high61 Ų6173 Ų7332%0.31939%0.385SS..Hα-helixtrans-62.1-45.1176.8-71.9170.8000112.5C26 V27 I28 T32 P452 L455C26-L30 WeakPolarHBondContact O-CG 3.45Å; C26-L30 PolarHBondContact O-N 3.4Å; V27-L30 WeakPolarHBondContact O-CB 3.45Å; V27-L30 PolarHBondContact O-N 2.83Å; V27-L30 VanDerWaalsContact O-N 3.15Å; I28-L30 PolarHBondContact O-N 2.75Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 2.92Å; L30-P452 HydrophobicContact CD2-CB 4.15Å; L30-P452 WeakPolarHBondContact CD2-O 3.48Å; L30-L455 HydrophobicContact CD2-CB 3.71Å; L30-L455 HydrophobicContact CD2-CD1 4.45Å; L30-L455 HydrophobicContact CG-CB 3.99Å
31F93.8Very high92Very high172 Ų17270.5 Ų70.575%0.75437%0.372SS*.Hα-helixtrans-65.9-35.5178.7-80.3-70.1000112.7V27 I28V27-F31 HydrophobicContact CG1-CD2 3.75Å; V27-F31 HydrophobicContact CG1-CE2 3.59Å; V27-F31 WeakPolarHBondContact O-CD2 3.49Å; V27-F31 PolarHBondContact O-N 3.44Å; I28-F31 PolarHBondContact O-N 3.39Å
32T93.6Very high91.4Very high55 Ų5565.9 Ų65.934%0.33736%0.356SS..Hα-helixtrans-92.5-15.8-178.357.50000113.7I28 G29 L30 N34 H35 L36I28-T32 HydrophobicContact CG2-CG2 4.28Å; I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 WeakPolarHBondContact O-CG2 3.33Å; I28-T32 PolarHBondContact O-N 3.34Å; I28-T32 PolarHBondContact O-OG1 3.49Å; G29-T32 PolarHBondContact O-N 3.2Å; G29-T32 PolarHBondContact O-OG1 2.89Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 2.92Å; T32-N34 PolarHBondContact O-N 3.31Å; T32-H35 PolarHBondContact O-N 2.9Å; T32-H35 VanDerWaalsContact O-N 3.16Å; T32-L36 WeakPolarHBondContact O-CG 3.28Å; T32-L36 PolarHBondContact O-N 3.21Å
33F92.7Very high90.7Very high22 Ų2271.9 Ų71.910%0.09637%0.373CS..Hα-helixtrans-55.3-49.1-171.2176-100.1000112.1G29 H35 L36 F37 I451 P452G29-F33 VanDerWaalsContact O-CA 3.3Å; G29-F33 WeakPolarHBondContact O-CA 3.48Å; G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 3.48Å; F33-H35 VanDerWaalsContact C-N 3.31Å; F33-H35 PolarHBondContact O-N 3.39Å; F33-L36 PolarHBondContact O-N 2.74Å; F33-F37 HydrophobicContact CD1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CB 4.18Å; F33-F37 HydrophobicContact CE1-CD2 4.4Å; F33-F37 HydrophobicContact CE1-CG 4.29Å; F33-F37 HydrophobicContact CE2-CB 4.28Å; F33-F37 HydrophobicContact CE2-CD2 4.11Å; F33-F37 HydrophobicContact CZ-CB 4.07Å; F33-F37 AromaticContact CZ-CD2 3.69Å; F33-F37 HydrophobicContact CZ-CD2 3.69Å; F33-F37 HydrophobicContact CZ-CE2 4.43Å; F33-F37 HydrophobicContact CZ-CG 4.01Å; F33-F37 WeakPolarHBondContact O-CB 3.45Å; F33-F37 PolarHBondContact O-N 2.99Å; F33-I451 HydrophobicContact CD2-CB 4.4Å; F33-I451 HydrophobicContact CD2-CG2 3.73Å; F33-I451 HydrophobicContact CE2-CB 3.58Å; F33-I451 HydrophobicContact CE2-CD1 3.97Å; F33-I451 HydrophobicContact CE2-CG1 4.39Å; F33-I451 HydrophobicContact CE2-CG2 3.33Å; F33-I451 HydrophobicContact CZ-CB 3.85Å; F33-I451 HydrophobicContact CZ-CD1 4.34Å; F33-I451 HydrophobicContact CZ-CG2 4.1Å; F33-P452 HydrophobicContact CD1-CG 3.48Å; F33-P452 VanDerWaalsContact CD1-CG 3.48Å; F33-P452 HydrophobicContact CE1-CG 3.34Å; F33-P452 HydrophobicContact CG-CG 4.17Å; F33-P452 HydrophobicContact CZ-CG 3.96Å
34N87.5Confident90.5Very high110 Ų11079 Ų7959%0.58840%0.403SS*.Hα-helixtrans-60.6-42.3-177.1-75-24.4000111.8T32 A38T32-N34 PolarHBondContact O-N 3.31Å; N34-A38 WeakPolarHBondContact O-CB 3.39Å; N34-A38 PolarHBondContact O-N 2.86Å
35H88.4Confident90.3Very high145 Ų14574.9 Ų74.967%0.67138%0.381SS*.Hα-helixtrans-70.1-44.7178.4-174.3-73.1000111.8T32 F33 A38 S39T32-H35 PolarHBondContact O-N 2.9Å; T32-H35 VanDerWaalsContact O-N 3.16Å; F33-H35 VanDerWaalsContact C-N 3.31Å; F33-H35 PolarHBondContact O-N 3.39Å; H35-A38 PolarHBondContact O-N 3.39Å; H35-S39 WeakPolarHBondContact O-CB 3.2Å; H35-S39 PolarHBondContact O-N 3.42Å
36L88.8Confident90.2Very high93 Ų9371 Ų7149%0.48736%0.362SS..Hα-helixtrans-64.8-46.1178.5-70174000111.5T32 F33 S39 L40T32-L36 WeakPolarHBondContact O-CG 3.28Å; T32-L36 PolarHBondContact O-N 3.21Å; F33-L36 PolarHBondContact O-N 2.74Å; L36-S39 PolarHBondContact O-N 3.43Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 2.95Å
37F88.4Confident90.2Very high25 Ų2570.7 Ų70.711%0.1136%0.36CS..Hα-helixtrans-60.3-47.6176.5-173.2-91.3000110.5F33 S39 L40 I41 I444 K448F33-F37 HydrophobicContact CD1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CB 4.18Å; F33-F37 HydrophobicContact CE1-CD2 4.4Å; F33-F37 HydrophobicContact CE1-CG 4.29Å; F33-F37 HydrophobicContact CE2-CB 4.28Å; F33-F37 HydrophobicContact CE2-CD2 4.11Å; F33-F37 HydrophobicContact CZ-CB 4.07Å; F33-F37 AromaticContact CZ-CD2 3.69Å; F33-F37 HydrophobicContact CZ-CD2 3.69Å; F33-F37 HydrophobicContact CZ-CE2 4.43Å; F33-F37 HydrophobicContact CZ-CG 4.01Å; F33-F37 WeakPolarHBondContact O-CB 3.45Å; F33-F37 PolarHBondContact O-N 2.99Å; F37-S39 VanDerWaalsContact C-N 3.34Å; F37-S39 PolarHBondContact O-N 2.92Å; F37-L40 PolarHBondContact O-N 3.27Å; F37-I41 HydrophobicContact CD1-CG1 3.87Å; F37-I41 HydrophobicContact CE1-CD1 4.2Å; F37-I41 HydrophobicContact CE1-CG1 3.47Å; F37-I41 VanDerWaalsContact CE1-CG1 3.47Å; F37-I41 HydrophobicContact CE2-CD1 4.37Å; F37-I41 HydrophobicContact CE2-CG1 4.2Å; F37-I41 HydrophobicContact CG-CG1 4.38Å; F37-I41 HydrophobicContact CZ-CD1 3.89Å; F37-I41 HydrophobicContact CZ-CG1 3.65Å; F37-I41 WeakPolarHBondContact O-CB 3.47Å; F37-I41 VanDerWaalsContact O-CG1 3.29Å; F37-I41 WeakPolarHBondContact O-CG1 3.43Å; F37-I41 PolarHBondContact O-N 3.47Å; F37-I444 HydrophobicContact CZ-CG2 4.27Å; F37-K448 HydrophobicContact CD1-CD 4.23Å; F37-K448 HydrophobicContact CD1-CG 4.15Å; F37-K448 HydrophobicContact CE1-CB 3.83Å; F37-K448 HydrophobicContact CE1-CD 3.74Å; F37-K448 HydrophobicContact CE1-CG 3.78Å; F37-K448 HydrophobicContact CE2-CB 4.1Å; F37-K448 HydrophobicContact CZ-CB 3.58Å; F37-K448 HydrophobicContact CZ-CD 4.37Å; F37-K448 HydrophobicContact CZ-CG 4.06Å
38A83.7Confident90.2Very high49 Ų4969.6 Ų69.641%0.40535%0.352SS..Hα-helixtrans-58.8-44.6175.700000111.7N34 H35 S42N34-A38 WeakPolarHBondContact O-CB 3.39Å; N34-A38 PolarHBondContact O-N 2.86Å; H35-A38 PolarHBondContact O-N 3.39Å; A38-S42 WeakPolarHBondContact O-CB 3.3Å; A38-S42 PolarHBondContact O-N 3.49Å; A38-S42 PolarHBondContact O-OG 2.91Å
39S85.2Confident90.1Very high49 Ų4968.6 Ų68.634%0.34335%0.351SS..Hα-helixtrans-63.9-43.8178.4-173.10000112.7H35 L36 F37 S42 R43H35-S39 WeakPolarHBondContact O-CB 3.2Å; H35-S39 PolarHBondContact O-N 3.42Å; L36-S39 PolarHBondContact O-N 3.43Å; F37-S39 VanDerWaalsContact C-N 3.34Å; F37-S39 PolarHBondContact O-N 2.92Å; S39-S42 PolarHBondContact O-N 3.43Å; S39-R43 WeakPolarHBondContact O-CG 3.22Å; S39-R43 PolarHBondContact O-N 3.24Å; S39-R43 VanDerWaalsContact O-N 3.13Å
40L86.4Confident89.9Confident113 Ų11371.2 Ų71.259%0.59238%0.378SS*.Hα-helixtrans-66-44.9178.3-72.8173.1000112.1L36 F37 K44L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 2.95Å; F37-L40 PolarHBondContact O-N 3.27Å; L40-K44 PolarHBondContact O-N 2.91Å
41I85.5Confident89.8Confident21 Ų2169.7 Ų69.711%0.10837%0.372CS..Hα-helixtrans-63.9-45.9175.7-69.8-61000110F37 R43 K44 L45 I444F37-I41 HydrophobicContact CD1-CG1 3.87Å; F37-I41 HydrophobicContact CE1-CD1 4.2Å; F37-I41 HydrophobicContact CE1-CG1 3.47Å; F37-I41 VanDerWaalsContact CE1-CG1 3.47Å; F37-I41 HydrophobicContact CE2-CD1 4.37Å; F37-I41 HydrophobicContact CE2-CG1 4.2Å; F37-I41 HydrophobicContact CG-CG1 4.38Å; F37-I41 HydrophobicContact CZ-CD1 3.89Å; F37-I41 HydrophobicContact CZ-CG1 3.65Å; F37-I41 WeakPolarHBondContact O-CB 3.47Å; F37-I41 VanDerWaalsContact O-CG1 3.29Å; F37-I41 WeakPolarHBondContact O-CG1 3.43Å; F37-I41 PolarHBondContact O-N 3.47Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.3Å; I41-K44 CarbonylContact O-C 3.58Å; I41-K44 WeakPolarHBondContact O-CA 3.49Å; I41-K44 PolarHBondContact O-N 3.48Å; I41-L45 HydrophobicContact CG2-CD1 3.41Å; I41-L45 VanDerWaalsContact CG2-CD1 3.41Å; I41-L45 HydrophobicContact CG2-CG 3.84Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.35Å; I41-L45 PolarHBondContact O-N 2.96Å; I41-I444 HydrophobicContact CD1-CG1 4.37Å; I41-I444 HydrophobicContact CD1-CG2 4.02Å
42S83.1Confident89.6Confident31 Ų3166.9 Ų66.922%0.21736%0.362CS..Hα-helixtrans-55.1-43.7179.6-61.70000112.3A38 S39 K44 L45 I222A38-S42 WeakPolarHBondContact O-CB 3.3Å; A38-S42 PolarHBondContact O-N 3.49Å; A38-S42 PolarHBondContact O-OG 2.91Å; S39-S42 PolarHBondContact O-N 3.43Å; S42-K44 VanDerWaalsContact C-N 3.3Å; S42-K44 PolarHBondContact O-N 3.26Å; S42-L45 PolarHBondContact O-N 2.96Å; S42-I222 VanDerWaalsContact O-CD1 3.29Å; S42-I222 WeakPolarHBondContact O-CD1 3.42Å; S42-I222 WeakPolarHBondContact OG-CG2 3.42Å
43R83.7Confident89.5Confident196 Ų19665.5 Ų65.574%0.7435%0.352SS*.Hα-helixtrans-63.9-33.8176.1-72.9-178.7178.4-169.6-0.2113.4S39 I41S39-R43 WeakPolarHBondContact O-CG 3.22Å; S39-R43 PolarHBondContact O-N 3.24Å; S39-R43 VanDerWaalsContact O-N 3.13Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.3Å
44K89.9Confident89.5Confident160 Ų16065.6 Ų65.670%0.69635%0.352SS*.Hα-helixtrans-80.7-17.2178.8-71.3-169.7175.2-168.20113.6L40 I41 S42 I53L40-K44 PolarHBondContact O-N 2.91Å; I41-K44 CarbonylContact O-C 3.58Å; I41-K44 WeakPolarHBondContact O-CA 3.49Å; I41-K44 PolarHBondContact O-N 3.48Å; S42-K44 VanDerWaalsContact C-N 3.3Å; S42-K44 PolarHBondContact O-N 3.26Å; K44-I53 WeakPolarHBondContact O-CG1 3.41Å
45L93.2Very high89.7Confident10 Ų1064.7 Ų64.75%0.05235%0.348CS..Hα-helixtrans-90.1-8.9-179-70.2178.4000113.8I41 S42 I53 I222 P258 T386 F388I41-L45 HydrophobicContact CG2-CD1 3.41Å; I41-L45 VanDerWaalsContact CG2-CD1 3.41Å; I41-L45 HydrophobicContact CG2-CG 3.84Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.35Å; I41-L45 PolarHBondContact O-N 2.96Å; S42-L45 PolarHBondContact O-N 2.96Å; L45-I53 HydrophobicContact CD2-CD1 4.25Å; L45-I222 HydrophobicContact CB-CD1 3.76Å; L45-I222 HydrophobicContact CB-CG1 4.26Å; L45-P258 HydrophobicContact CD1-CB 3.81Å; L45-P258 HydrophobicContact CD1-CG 4.01Å; L45-T386 HydrophobicContact CD2-CG2 4.48Å; L45-F388 HydrophobicContact CD2-CE1 3.65Å; L45-F388 HydrophobicContact CD2-CE2 4.31Å; L45-F388 HydrophobicContact CD2-CZ 3.37Å
46A94.8Very high89.8Confident3 Ų361.5 Ų61.53%0.02534%0.335CS..SBendtrans-68.8142.3176.400000111.3L48 T217 I222A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 HydrophobicContact CB-CD1 4.02Å; A46-L48 HydrophobicContact CB-CG 3.88Å; A46-L48 PolarHBondContact O-N 3.39Å; A46-T217 CarbonylContact C-O 3.6Å; A46-T217 WeakPolarHBondContact CA-O 3.5Å; A46-I222 HydrophobicContact CB-CD1 4.44Å
47I95.5Very high89.9Confident0 Ų057.4 Ų57.40%031%0.314CS..  trans-79.485.6177.4-55.1170.2000107.6I53 F54 W57 F106 I215 T217 V225I47-I53 HydrophobicContact CG1-CG2 4.2Å; I47-F54 HydrophobicContact CG2-CB 4.42Å; I47-F54 HydrophobicContact CG2-CD2 4.01Å; I47-W57 HydrophobicContact CD1-CD2 4.41Å; I47-W57 HydrophobicContact CD1-CG 4.22Å; I47-W57 HydrophobicContact CG2-CD2 4.08Å; I47-W57 HydrophobicContact CG2-CE3 3.99Å; I47-W57 HydrophobicContact CG2-CG 4.4Å; I47-W57 HydrophobicContact CG2-CZ3 4.48Å; I47-F106 WeakPolarHBondContact O-CE1 3.39Å; I47-I215 HydrophobicContact CD1-CD1 3.94Å; I47-T217 PolarHBondContact N-O 2.91Å; I47-T217 WeakPolarHBondContact O-CB 3.25Å; I47-T217 WeakPolarHBondContact O-CG2 3.33Å; I47-V225 HydrophobicContact CD1-CG2 4.13Å; I47-V225 HydrophobicContact CG1-CG2 4.06Å
48L95.3Very high90Very high38 Ų3860.5 Ų60.520%0.19933%0.327CS..  trans-115.8147.5-176.6-65.8177.9000111.8A46 G50 S51 F54 P111 A219A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 HydrophobicContact CB-CD1 4.02Å; A46-L48 HydrophobicContact CB-CG 3.88Å; A46-L48 PolarHBondContact O-N 3.39Å; L48-G50 PolarHBondContact O-N 3.44Å; L48-S51 PolarHBondContact N-OG 2.97Å; L48-S51 VanDerWaalsContact O-CB 3.28Å; L48-S51 WeakPolarHBondContact O-CB 3.38Å; L48-S51 PolarHBondContact O-N 3.38Å; L48-S51 PolarHBondContact O-OG 3.4Å; L48-F54 WeakPolarHBondContact O-CB 3.34Å; L48-P111 HydrophobicContact CD1-CB 4.28Å; L48-P111 HydrophobicContact CD2-CB 3.87Å; L48-A219 HydrophobicContact CD2-CB 3.91Å
49P94Very high90.2Very high71 Ų7162.2 Ų62.246%0.46134%0.336SS..THydrogen-bonded Turntrans-52.4132.2177.8-21.829.1000112.3S51 F106 P112P49-S51 PolarHBondContact O-N 2.98Å; P49-F106 HydrophobicContact CB-CD2 4.48Å; P49-F106 HydrophobicContact CB-CE2 4.26Å; P49-F106 HydrophobicContact CG-CB 4.46Å; P49-F106 HydrophobicContact CG-CD1 4.02Å; P49-F106 HydrophobicContact CG-CD2 3.66Å; P49-F106 HydrophobicContact CG-CE1 4.1Å; P49-F106 HydrophobicContact CG-CE2 3.73Å; P49-F106 HydrophobicContact CG-CG 3.78Å; P49-F106 HydrophobicContact CG-CZ 3.94Å; P49-P112 HydrophobicContact CG-CG 4.24Å
50G90.7Very high90.3Very high72 Ų7262.7 Ų62.774%0.74234%0.338SS*.THydrogen-bonded Turntrans72.84.1179.200000115.4L48L48-G50 PolarHBondContact O-N 3.44Å
51S91.8Very high90.2Very high28 Ų2861.1 Ų61.120%0.19634%0.336CS..  trans-81.5149.6171.171.20000111.4L48 P49 I53 F54 D55L48-S51 PolarHBondContact N-OG 2.97Å; L48-S51 VanDerWaalsContact O-CB 3.28Å; L48-S51 WeakPolarHBondContact O-CB 3.38Å; L48-S51 PolarHBondContact O-N 3.38Å; L48-S51 PolarHBondContact O-OG 3.4Å; P49-S51 PolarHBondContact O-N 2.98Å; S51-I53 PolarHBondContact O-N 2.98Å; S51-F54 WeakPolarHBondContact O-CB 3.29Å; S51-F54 PolarHBondContact O-N 3.21Å; S51-F54 WeakPolarHBondContact OG-CB 3.27Å; S51-F54 PolarHBondContact OG-N 2.9Å; S51-F54 VanDerWaalsContact OG-N 3.13Å; S51-D55 PolarHBondContact O-N 3.37Å; S51-D55 VanDerWaalsContact O-N 3.1Å
52E88.8Confident90.4Very high113 Ų11361.6 Ų61.653%0.52834%0.34SS..Hα-helixtrans-59.8-31.8174.8-167-167.3127.300112.5D55 N56 K439E52-D55 PolarHBondContact O-N 3.33Å; E52-N56 PolarHBondContact O-N 3.39Å; E52-K439 VanDerWaalsContact CD-CE 3.49Å; E52-K439 WeakPolarHBondContact OE1-CE 3.45Å; E52-K439 IonicContact OE1-NZ 2.58Å; E52-K439 PolarHBondContact OE1-NZ 2.9Å; E52-K439 WeakPolarHBondContact OE2-CE 3.38Å; E52-K439 IonicContact OE2-NZ 3.07Å; E52-K439 PolarHBondContact OE2-NZ 2.82Å
53I91.1Very high90.8Very high27 Ų2763.1 Ų63.114%0.13835%0.349CS..Hα-helixtrans-64.7-42.7175.7-60.4-55.2000110.8K44 L45 I47 S51 W57 F388K44-I53 WeakPolarHBondContact O-CG1 3.41Å; L45-I53 HydrophobicContact CD2-CD1 4.25Å; I47-I53 HydrophobicContact CG1-CG2 4.2Å; S51-I53 PolarHBondContact O-N 2.98Å; I53-W57 WeakPolarHBondContact O-CB 3.47Å; I53-W57 PolarHBondContact O-N 2.94Å; I53-F388 HydrophobicContact CD1-CE1 4.07Å; I53-F388 HydrophobicContact CD1-CZ 3.62Å
54F93.5Very high91.3Very high24 Ų2454.7 Ų54.711%0.10532%0.319CS..Hα-helixtrans-62.1-43.9174.8170.3-105.7000111.9I47 L48 S51 W57 K58 V104 F106I47-F54 HydrophobicContact CG2-CB 4.42Å; I47-F54 HydrophobicContact CG2-CD2 4.01Å; L48-F54 WeakPolarHBondContact O-CB 3.34Å; S51-F54 WeakPolarHBondContact O-CB 3.29Å; S51-F54 PolarHBondContact O-N 3.21Å; S51-F54 WeakPolarHBondContact OG-CB 3.27Å; S51-F54 PolarHBondContact OG-N 2.9Å; S51-F54 VanDerWaalsContact OG-N 3.13Å; F54-W57 AromaticContact CD2-CE3 3.99Å; F54-W57 HydrophobicContact CD2-CE3 3.99Å; F54-W57 HydrophobicContact CD2-CZ3 4.28Å; F54-W57 HydrophobicContact CE2-CE3 4.13Å; F54-W57 HydrophobicContact CE2-CZ3 4.03Å; F54-W57 PolarHBondContact O-N 3.5Å; F54-K58 HydrophobicContact CE1-CD 4.25Å; F54-K58 HydrophobicContact CZ-CD 3.93Å; F54-K58 VanDerWaalsContact O-CB 3.3Å; F54-K58 WeakPolarHBondContact O-CB 3.36Å; F54-K58 PolarHBondContact O-N 2.83Å; F54-V104 HydrophobicContact CE2-CG1 3.89Å; F54-V104 HydrophobicContact CZ-CG1 4.21Å; F54-F106 HydrophobicContact CD2-CE2 4.05Å; F54-F106 AromaticContact CD2-CZ 3.54Å; F54-F106 HydrophobicContact CD2-CZ 3.54Å; F54-F106 AromaticContact CE2-CE2 3.56Å; F54-F106 HydrophobicContact CE2-CE2 3.56Å; F54-F106 AromaticContact CE2-CZ 3.49Å; F54-F106 HydrophobicContact CE2-CZ 3.49Å; F54-F106 VanDerWaalsContact CE2-CZ 3.49Å; F54-F106 HydrophobicContact CG-CZ 4.33Å; F54-F106 AromaticContact CZ-CE2 3.91Å; F54-F106 HydrophobicContact CZ-CE2 3.91Å; F54-F106 HydrophobicContact CZ-CZ 4.26Å
55D91.8Very high91.7Very high91 Ų9149.7 Ų49.749%0.48730%0.297SS..Hα-helixtrans-62.2-46.6179.5-66.4-24.7000111.6S51 E52 K58 S59S51-D55 PolarHBondContact O-N 3.37Å; S51-D55 VanDerWaalsContact O-N 3.1Å; E52-D55 PolarHBondContact O-N 3.33Å; D55-K58 PolarHBondContact O-N 3Å; D55-S59 PolarHBondContact O-N 2.87Å
56N89.6Confident91.9Very high77 Ų7750 Ų5041%0.41230%0.298SS..Hα-helixtrans-71.5-30.1177.1-174.375.1000112.6E52 S59 P60 S61E52-N56 PolarHBondContact O-N 3.39Å; N56-S59 CarbonylContact O-C 3.46Å; N56-P60 WeakPolarHBondContact O-CA 3.42Å; N56-P60 VanDerWaalsContact O-N 3.11Å; N56-S61 PolarHBondContact OD1-N 3.4Å; N56-S61 PolarHBondContact OD1-OG 3.42Å
57W92.1Very high92.1Very high8 Ų850.1 Ų50.13%0.0330%0.298CS..Hα-helixtrans-69-43.3172.3174.282.3000110.8I47 I53 F54 R101 V104 V115 Y117 I215I47-W57 HydrophobicContact CD1-CD2 4.41Å; I47-W57 HydrophobicContact CD1-CG 4.22Å; I47-W57 HydrophobicContact CG2-CD2 4.08Å; I47-W57 HydrophobicContact CG2-CE3 3.99Å; I47-W57 HydrophobicContact CG2-CG 4.4Å; I47-W57 HydrophobicContact CG2-CZ3 4.48Å; I53-W57 WeakPolarHBondContact O-CB 3.47Å; I53-W57 PolarHBondContact O-N 2.94Å; F54-W57 AromaticContact CD2-CE3 3.99Å; F54-W57 HydrophobicContact CD2-CE3 3.99Å; F54-W57 HydrophobicContact CD2-CZ3 4.28Å; F54-W57 HydrophobicContact CE2-CE3 4.13Å; F54-W57 HydrophobicContact CE2-CZ3 4.03Å; F54-W57 PolarHBondContact O-N 3.5Å; W57-R101 VanDerWaalsContact CE2-NE 3.33Å; W57-R101 VanDerWaalsContact CZ2-CD 3.41Å; W57-R101 PolarHBondContact O-NH1 2.91Å; W57-V104 HydrophobicContact CZ3-CG1 4.32Å; W57-V115 HydrophobicContact CH2-CG1 4.16Å; W57-V115 HydrophobicContact CH2-CG2 4.37Å; W57-Y117 AromaticContact CH2-CD1 3.5Å; W57-Y117 HydrophobicContact CH2-CD1 3.5Å; W57-Y117 HydrophobicContact CH2-CD2 4.38Å; W57-Y117 AromaticContact CH2-CE1 3.76Å; W57-Y117 HydrophobicContact CH2-CE1 3.76Å; W57-Y117 AromaticContact CH2-CG 3.84Å; W57-Y117 HydrophobicContact CH2-CG 3.84Å; W57-Y117 AromaticContact CZ2-CD1 3.74Å; W57-Y117 HydrophobicContact CZ2-CD1 3.74Å; W57-Y117 AromaticContact CZ2-CE1 3.45Å; W57-Y117 HydrophobicContact CZ2-CE1 3.45Å; W57-Y117 VanDerWaalsContact CZ2-CE1 3.45Å; W57-Y117 HydrophobicContact CZ2-CE2 4.27Å; W57-Y117 HydrophobicContact CZ2-CG 4.27Å; W57-Y117 AromaticContact CZ2-CZ 3.73Å; W57-I215 HydrophobicContact CH2-CD1 4.32Å; W57-I215 HydrophobicContact CZ2-CD1 3.48Å; W57-I215 VanDerWaalsContact CZ2-CD1 3.48Å
58K91.3Very high92.2Very high89 Ų8950.1 Ų50.139%0.38730%0.298SS..Hα-helixtrans-68.4-40.1178.9-175177.1178.1-178.80112F54 D55F54-K58 HydrophobicContact CE1-CD 4.25Å; F54-K58 HydrophobicContact CZ-CD 3.93Å; F54-K58 VanDerWaalsContact O-CB 3.3Å; F54-K58 WeakPolarHBondContact O-CB 3.36Å; F54-K58 PolarHBondContact O-N 2.83Å; D55-K58 PolarHBondContact O-N 3Å
59S87.4Confident92.3Very high85 Ų8550.4 Ų50.459%0.59430%0.297SS*.SBendtrans-136.885-179.2-61.60000110.3D55 N56 S61D55-S59 PolarHBondContact O-N 2.87Å; N56-S59 CarbonylContact O-C 3.46Å; S59-S61 PolarHBondContact O-N 2.9Å
60P87Confident92.5Very high60 Ų6047 Ų4739%0.3928%0.275SS..  trans-56.9131.5-179-25.835000112.4N56 V62N56-P60 WeakPolarHBondContact O-CA 3.42Å; N56-P60 VanDerWaalsContact O-N 3.11Å; P60-V62 VanDerWaalsContact C-N 3.29Å; P60-V62 PolarHBondContact O-N 3.41Å
61S84Confident92.9Very high80 Ų8043.7 Ų43.756%0.55924%0.24SC*.SBendtrans-73.1-20.5179.151.30000114N56 S59N56-S61 PolarHBondContact OD1-N 3.4Å; N56-S61 PolarHBondContact OD1-OG 3.42Å; S59-S61 PolarHBondContact O-N 2.9Å
62V89.1Confident93.2Very high31 Ų3143.8 Ų43.819%0.18824%0.239CC..SBendtrans-93.1122.4-179.9-179.50000108.9P60 A430 V431 A432 A436P60-V62 VanDerWaalsContact C-N 3.29Å; P60-V62 PolarHBondContact O-N 3.41Å; V62-A430 HydrophobicContact CG1-CB 4.19Å; V62-V431 WeakPolarHBondContact CG1-O 3.43Å; V62-A432 HydrophobicContact CG2-CB 4.49Å; V62-A436 HydrophobicContact CG2-CB 4.43Å
63P92.1Very high93.7Very high63 Ų6338.5 Ų38.541%0.40921%0.214SC..PPolyproline II helixtrans-67.4143.1177.128.8-34.3000110.8Y65P63-Y65 HydrophobicContact CB-CE2 3.98Å; P63-Y65 HydrophobicContact CG-CE2 3.88Å
64V95.1Very high94Very high18 Ų1839.9 Ų39.911%0.10922%0.224CC..EExtended strand (participates in β ladder)trans-103.1130.7172.6-178.10000108E97 E428 A430V64-E97 HydrophobicContact CB-CB 4.15Å; V64-E97 HydrophobicContact CG1-CB 4.28Å; V64-E97 HydrophobicContact CG1-CG 4.34Å; V64-E97 PolarHBondContact O-N 3.47Å; V64-E428 HydrophobicContact CG1-CG 3.6Å; V64-A430 HydrophobicContact CG2-CB 4.16Å
65Y97.4Very high94.3Very high56 Ų5639.3 Ų39.322%0.2222%0.222CC..EExtended strand (participates in β ladder)trans-112.8137.3175.6-69.1-85.3000109.9P63 V94 Y95 R96 Q126 L129 E428 F429P63-Y65 HydrophobicContact CB-CE2 3.98Å; P63-Y65 HydrophobicContact CG-CE2 3.88Å; Y65-V94 HydrophobicContact CD1-CG1 3.98Å; Y65-Y95 CarbonylContact C-O 3.58Å; Y65-Y95 WeakPolarHBondContact CA-O 3.37Å; Y65-R96 HydrophobicContact CD1-CB 4.39Å; Y65-R96 HydrophobicContact CE1-CB 4.28Å; Y65-R96 HydrophobicContact CE1-CG 4.45Å; Y65-Q126 HydrophobicContact CE1-CG 4.28Å; Y65-L129 HydrophobicContact CD1-CD1 3.91Å; Y65-L129 HydrophobicContact CE1-CD1 3.53Å; Y65-E428 CarbonylContact O-C 3.56Å; Y65-E428 WeakPolarHBondContact O-CA 3.41Å; Y65-F429 VanDerWaalsContact CB-CE1 3.47Å; Y65-F429 AromaticContact CD2-CE2 3.86Å; Y65-F429 HydrophobicContact CD2-CE2 3.86Å; Y65-F429 HydrophobicContact CD2-CZ 4.07Å; Y65-F429 HydrophobicContact CG-CE1 4.47Å; Y65-F429 HydrophobicContact CG-CE2 4.15Å; Y65-F429 AromaticContact CG-CZ 3.88Å; Y65-F429 HydrophobicContact CG-CZ 3.88Å; Y65-F429 PolarHBondContact N-O 2.88Å; Y65-F429 PolarHBondContact O-N 2.96Å
66F97.6Very high94.5Very high16 Ų1636.4 Ų36.47%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-118.2107.1179-169.8-112.3000108.5I68 Y95 E97 Y123 M202 F426 T427 E428F66-I68 HydrophobicContact CD1-CD1 3.85Å; F66-I68 HydrophobicContact CD1-CG1 3.8Å; F66-I68 HydrophobicContact CE1-CD1 3.62Å; F66-I68 HydrophobicContact CE1-CG1 3.72Å; F66-Y95 PolarHBondContact N-O 3.37Å; F66-Y95 PolarHBondContact O-N 3.3Å; F66-E97 HydrophobicContact CB-CG 3.87Å; F66-E97 WeakPolarHBondContact CB-OE1 3.42Å; F66-E97 WeakPolarHBondContact CD2-OE1 3.45Å; F66-Y123 HydrophobicContact CB-CD1 4.25Å; F66-Y123 HydrophobicContact CB-CE1 4.16Å; F66-Y123 AromaticContact CD1-CD1 3.98Å; F66-Y123 HydrophobicContact CD1-CD1 3.98Å; F66-Y123 AromaticContact CD1-CE1 3.71Å; F66-Y123 HydrophobicContact CD1-CE1 3.71Å; F66-Y123 HydrophobicContact CE1-CE1 4.17Å; F66-Y123 HydrophobicContact CG-CD1 4.32Å; F66-Y123 AromaticContact CG-CE1 3.91Å; F66-Y123 HydrophobicContact CG-CE1 3.91Å; F66-M202 HydrophobicContact CE1-CE 4.06Å; F66-M202 HydrophobicContact CZ-CE 4.04Å; F66-F426 AromaticContact CE1-CD1 3.5Å; F66-F426 HydrophobicContact CE1-CD1 3.5Å; F66-F426 HydrophobicContact CE1-CE1 4.06Å; F66-F426 HydrophobicContact CE1-CG 4.46Å; F66-F426 HydrophobicContact CE2-CB 3.86Å; F66-F426 HydrophobicContact CE2-CD1 4.13Å; F66-F426 HydrophobicContact CE2-CG 4.33Å; F66-F426 HydrophobicContact CZ-CB 3.79Å; F66-F426 AromaticContact CZ-CD1 3.2Å; F66-F426 HydrophobicContact CZ-CD1 3.2Å; F66-F426 AromaticContact CZ-CE1 4Å; F66-F426 HydrophobicContact CZ-CE1 4Å; F66-F426 AromaticContact CZ-CG 3.76Å; F66-F426 HydrophobicContact CZ-CG 3.76Å; F66-T427 WeakPolarHBondContact CA-O 3.4Å; F66-E428 HydrophobicContact CD2-CB 4.05Å
67S98Very high94.9Very high6 Ų638.9 Ų38.94%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-103.3136.2178.3-42.70000110.4Y93 F426 T427S67-Y93 WeakPolarHBondContact CA-O 3.3Å; S67-F426 CarbonylContact O-C 3.34Å; S67-F426 VanDerWaalsContact O-CA 3.31Å; S67-F426 WeakPolarHBondContact O-CA 3.44Å; S67-T427 PolarHBondContact N-O 2.82Å; S67-T427 PolarHBondContact O-N 2.88Å
68I98.3Very high95.2Very high0 Ų043.1 Ų43.10%024%0.237CC..EExtended strand (participates in β ladder)trans-119.4130.8-175.6-46.6-176.5000108.9F66 L70 P92 Y93 Y95 I177 A424 F426F66-I68 HydrophobicContact CD1-CD1 3.85Å; F66-I68 HydrophobicContact CD1-CG1 3.8Å; F66-I68 HydrophobicContact CE1-CD1 3.62Å; F66-I68 HydrophobicContact CE1-CG1 3.72Å; I68-L70 HydrophobicContact CG2-CD2 3.9Å; I68-P92 WeakPolarHBondContact O-CA 3.12Å; I68-Y93 PolarHBondContact N-O 2.97Å; I68-Y93 PolarHBondContact O-N 3.34Å; I68-Y95 HydrophobicContact CD1-CD2 4.09Å; I68-Y95 HydrophobicContact CD1-CE2 3.88Å; I68-Y95 HydrophobicContact CG1-CD2 4.41Å; I68-Y95 HydrophobicContact CG1-CE2 4.42Å; I68-I177 HydrophobicContact CB-CD1 4.27Å; I68-I177 HydrophobicContact CD1-CD1 3.94Å; I68-I177 HydrophobicContact CD1-CG1 4.21Å; I68-I177 HydrophobicContact CD1-CG2 3.61Å; I68-I177 HydrophobicContact CG2-CD1 4.03Å; I68-I177 HydrophobicContact CG2-CG1 4.17Å; I68-A424 HydrophobicContact CG2-CB 4.35Å; I68-F426 HydrophobicContact CB-CD1 4.22Å; I68-F426 HydrophobicContact CB-CE1 4.35Å; I68-F426 HydrophobicContact CD1-CD1 4.22Å; I68-F426 HydrophobicContact CD1-CE1 4.06Å; I68-F426 HydrophobicContact CG1-CD1 3.8Å; I68-F426 HydrophobicContact CG1-CE1 4.06Å; I68-F426 HydrophobicContact CG2-CD1 3.84Å; I68-F426 HydrophobicContact CG2-CE1 3.57Å; I68-F426 HydrophobicContact CG2-CZ 4.34Å
69Y98.3Very high95.5Very high43 Ų4338.9 Ų38.917%0.16922%0.219CC..EExtended strand (participates in β ladder)trans-120.1120.4175.5-61.4-104.7000107.2E89 P92 A424 W425 T427Y69-E89 HydrophobicContact CD1-CG 4.17Å; Y69-E89 WeakPolarHBondContact CD1-OE1 3.28Å; Y69-P92 HydrophobicContact CD1-CB 4.47Å; Y69-P92 HydrophobicContact CE1-CB 3.86Å; Y69-P92 HydrophobicContact CE1-CG 4.26Å; Y69-P92 HydrophobicContact CE2-CB 3.93Å; Y69-A424 CarbonylContact O-C 3.57Å; Y69-A424 WeakPolarHBondContact O-CA 3.46Å; Y69-A424 WeakPolarHBondContact O-CB 3.38Å; Y69-W425 VanDerWaalsContact CB-CE2 3.43Å; Y69-W425 VanDerWaalsContact CB-NE1 3.28Å; Y69-W425 AromaticContact CD1-CE2 3.93Å; Y69-W425 HydrophobicContact CD1-CH2 4.13Å; Y69-W425 AromaticContact CD1-CZ2 3.48Å; Y69-W425 HydrophobicContact CD1-CZ2 3.48Å; Y69-W425 VanDerWaalsContact CD1-CZ2 3.48Å; Y69-W425 AromaticContact CD2-CD2 3.73Å; Y69-W425 HydrophobicContact CD2-CD2 3.73Å; Y69-W425 AromaticContact CD2-CE2 3.48Å; Y69-W425 VanDerWaalsContact CD2-CE2 3.48Å; Y69-W425 AromaticContact CD2-CE3 3.75Å; Y69-W425 HydrophobicContact CD2-CE3 3.75Å; Y69-W425 AromaticContact CD2-CH2 3.33Å; Y69-W425 HydrophobicContact CD2-CH2 3.33Å; Y69-W425 AromaticContact CD2-CZ2 3.29Å; Y69-W425 HydrophobicContact CD2-CZ2 3.29Å; Y69-W425 AromaticContact CD2-CZ3 3.56Å; Y69-W425 HydrophobicContact CD2-CZ3 3.56Å; Y69-W425 AromaticContact CE1-CH2 3.94Å; Y69-W425 HydrophobicContact CE1-CH2 3.94Å; Y69-W425 AromaticContact CE1-CZ2 3.66Å; Y69-W425 HydrophobicContact CE1-CZ2 3.66Å; Y69-W425 HydrophobicContact CE2-CD2 4.49Å; Y69-W425 HydrophobicContact CE2-CE3 4.16Å; Y69-W425 AromaticContact CE2-CH2 3.11Å; Y69-W425 HydrophobicContact CE2-CH2 3.11Å; Y69-W425 AromaticContact CE2-CZ2 3.51Å; Y69-W425 HydrophobicContact CE2-CZ2 3.51Å; Y69-W425 AromaticContact CE2-CZ3 3.49Å; Y69-W425 HydrophobicContact CE2-CZ3 3.49Å; Y69-W425 VanDerWaalsContact CE2-CZ3 3.49Å; Y69-W425 AromaticContact CG-CD2 3.98Å; Y69-W425 HydrophobicContact CG-CD2 3.98Å; Y69-W425 AromaticContact CG-CE2 3.35Å; Y69-W425 HydrophobicContact CG-CE3 4.45Å; Y69-W425 AromaticContact CG-CH2 3.85Å; Y69-W425 HydrophobicContact CG-CH2 3.85Å; Y69-W425 AromaticContact CG-CZ2 3.28Å; Y69-W425 HydrophobicContact CG-CZ2 3.28Å; Y69-W425 HydrophobicContact CG-CZ3 4.39Å; Y69-W425 AromaticContact CG-NE1 3.71Å; Y69-W425 AromaticContact CZ-CH2 3.42Å; Y69-W425 VanDerWaalsContact CZ-CH2 3.42Å; Y69-W425 AromaticContact CZ-CZ2 3.67Å; Y69-W425 PolarHBondContact N-O 3.02Å; Y69-W425 PolarHBondContact O-N 3.41Å; Y69-T427 HydrophobicContact CE2-CG2 4.1Å
70L98.5Very high95.9Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-95.4145.7-178-58.5179.6000110I68 V90 Y93 V139 P173 I176 I177 L201 A424I68-L70 HydrophobicContact CG2-CD2 3.9Å; L70-V90 PolarHBondContact N-O 3.09Å; L70-V90 PolarHBondContact O-N 3.4Å; L70-Y93 HydrophobicContact CD1-CE2 4.28Å; L70-V139 HydrophobicContact CB-CG1 4.12Å; L70-V139 HydrophobicContact CD1-CB 4.44Å; L70-V139 HydrophobicContact CD1-CG1 4.34Å; L70-V139 HydrophobicContact CD1-CG2 4.04Å; L70-P173 HydrophobicContact CD1-CB 3.8Å; L70-P173 HydrophobicContact CD1-CG 4.5Å; L70-I176 HydrophobicContact CD1-CB 4.38Å; L70-I176 HydrophobicContact CD1-CG2 4.33Å; L70-I176 HydrophobicContact CD2-CG2 4.2Å; L70-I177 HydrophobicContact CD1-CD1 4.31Å; L70-I177 HydrophobicContact CD1-CG1 4.37Å; L70-I177 HydrophobicContact CD2-CD1 4.4Å; L70-I177 HydrophobicContact CD2-CG1 3.99Å; L70-L201 HydrophobicContact CD2-CD1 4.09Å; L70-A424 HydrophobicContact CD2-CB 3.68Å
71Y98.5Very high96.4Very high2 Ų236.5 Ų36.51%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-93.9108.5170.8-72.2-74.8000109.5F87 H353 Q397 P422 L423 W425Y71-F87 HydrophobicContact CD1-CB 4.07Å; Y71-H353 PolarHBondContact OH-CD2 3.5Å; Y71-H353 PolarHBondContact OH-NE2 3.47Å; Y71-Q397 HydrophobicContact CE2-CG 4.2Å; Y71-Q397 PolarHBondContact OH-OE1 2.94Å; Y71-P422 HydrophobicContact CD2-CB 3.57Å; Y71-P422 HydrophobicContact CD2-CG 4.25Å; Y71-P422 HydrophobicContact CE2-CB 3.84Å; Y71-P422 HydrophobicContact CG-CB 3.97Å; Y71-P422 HydrophobicContact CG-CG 4.14Å; Y71-L423 PolarHBondContact N-O 2.93Å; Y71-W425 AromaticContact CE2-CD1 3.77Å; Y71-W425 AromaticContact CZ-CD1 3.69Å; Y71-W425 VanDerWaalsContact OH-CD1 3.3Å
72N98.4Very high96.9Very high31 Ų3134.3 Ų34.317%0.16619%0.192CC..EExtended strand (participates in β ladder)trans-85.4116.5177.6-179.541.5000110.6T74 F87 D88 V90 V139 T140N72-T74 PolarHBondContact O-N 3.41Å; N72-F87 CarbonylContact O-C 3.55Å; N72-F87 VanDerWaalsContact O-CA 3.28Å; N72-F87 WeakPolarHBondContact O-CA 3.25Å; N72-D88 WeakPolarHBondContact CB-O 3.35Å; N72-D88 PolarHBondContact N-O 2.81Å; N72-D88 PolarHBondContact O-N 2.77Å; N72-V90 HydrophobicContact CB-CG2 3.74Å; N72-V139 HydrophobicContact CB-CG1 4.12Å; N72-T140 PolarHBondContact OD1-N 2.89Å
73L98.6Very high97.2Very high2 Ų233.9 Ų33.91%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-73.5119175-179.267.7000110.8P76 V79 P85 F87 T140 F168 F421L73-P76 HydrophobicContact CD2-CB 3.84Å; L73-V79 HydrophobicContact CD1-CG2 4.23Å; L73-P85 HydrophobicContact CD1-CB 4.15Å; L73-F87 HydrophobicContact CB-CD1 4.35Å; L73-F87 HydrophobicContact CB-CE1 4.14Å; L73-F87 HydrophobicContact CD1-CD1 4.43Å; L73-F87 HydrophobicContact CD1-CE1 4.01Å; L73-F87 HydrophobicContact CD1-CZ 4.21Å; L73-T140 HydrophobicContact CB-CG2 4.22Å; L73-T140 WeakPolarHBondContact CB-O 3.35Å; L73-T140 HydrophobicContact CD2-CG2 4.49Å; L73-T140 PolarHBondContact N-O 3.27Å; L73-T140 WeakPolarHBondContact O-CB 3.37Å; L73-F168 HydrophobicContact CD2-CD1 3.58Å; L73-F168 HydrophobicContact CD2-CD2 4.06Å; L73-F168 HydrophobicContact CD2-CE1 3.46Å; L73-F168 VanDerWaalsContact CD2-CE1 3.46Å; L73-F168 HydrophobicContact CD2-CE2 3.91Å; L73-F168 HydrophobicContact CD2-CG 3.9Å; L73-F168 HydrophobicContact CD2-CZ 3.63Å; L73-F421 HydrophobicContact CB-CZ 4.49Å; L73-F421 HydrophobicContact CD1-CZ 3.94Å; L73-F421 HydrophobicContact CD2-CZ 3.89Å; L73-F421 HydrophobicContact CG-CZ 4.32Å
74T98.4Very high97.5Very high56 Ų5636.6 Ų36.634%0.34420%0.196SC..SBendtrans-92-18.9-173.859.10000113.9N72 R86 D88N72-T74 PolarHBondContact O-N 3.41Å; T74-R86 PolarHBondContact N-O 2.88Å; T74-R86 WeakPolarHBondContact OG1-CB 3.45Å; T74-R86 WeakPolarHBondContact OG1-CG 3.35Å; T74-R86 PolarHBondContact OG1-O 2.88Å; T74-D88 HydrophobicContact CG2-CB 4.14Å; T74-D88 WeakPolarHBondContact CG2-OD2 3.16Å
75N98Very high97.6Very high11 Ų1135.8 Ų35.86%0.05919%0.191CC..  trans-133.452-173.668.6-30000114.3E77 E78 V79 R84 R86N75-E77 PolarHBondContact O-N 3.07Å; N75-E78 HydrophobicContact CB-CB 4.06Å; N75-E78 HydrophobicContact CB-CG 4.17Å; N75-E78 WeakPolarHBondContact CB-OE2 3.43Å; N75-E78 PolarHBondContact ND2-OE2 3.26Å; N75-E78 PolarHBondContact O-N 3.41Å; N75-V79 WeakPolarHBondContact O-CG2 3.29Å; N75-V79 PolarHBondContact O-N 3Å; N75-V79 VanDerWaalsContact O-N 3.11Å; N75-R84 PolarHBondContact ND2-O 3.23Å; N75-R86 WeakPolarHBondContact OD1-CB 3.35Å; N75-R86 PolarHBondContact OD1-N 2.9Å
76P97.7Very high97.6Very high31 Ų3138.2 Ų38.220%0.20120%0.2CC..Hα-helixtrans-53.1-46.4-176.420.5-32.5000114.2L73 E78 V79 L80 T140 F168L73-P76 HydrophobicContact CD2-CB 3.84Å; P76-E78 PolarHBondContact O-N 3.41Å; P76-V79 WeakPolarHBondContact O-CB 3.49Å; P76-V79 PolarHBondContact O-N 2.86Å; P76-L80 WeakPolarHBondContact O-CG 3.36Å; P76-L80 PolarHBondContact O-N 3.38Å; P76-L80 VanDerWaalsContact O-N 3.1Å; P76-T140 HydrophobicContact CG-CG2 4.4Å; P76-F168 HydrophobicContact CB-CD2 3.5Å; P76-F168 VanDerWaalsContact CB-CD2 3.5Å; P76-F168 HydrophobicContact CB-CE2 3.85Å; P76-F168 HydrophobicContact CB-CG 4.22Å
77E97.5Very high97.7Very high129 Ų12937.5 Ų37.560%0.60320%0.197SC*.Hα-helixtrans-66.4-39-178.4-62.2-53.8136.700112.5N75 V79 L80 S81N75-E77 PolarHBondContact O-N 3.07Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 2.85Å; E77-L80 PolarHBondContact O-N 3.44Å; E77-S81 PolarHBondContact O-N 3.43Å; E77-S81 VanDerWaalsContact O-N 3.12Å; E77-S81 PolarHBondContact O-OG 2.92Å
78E97.7Very high97.7Very high96 Ų9641.6 Ų41.645%0.44922%0.218SC..Hα-helixtrans-60.6-43.7174.5-66.9178.3-171.800110.3N75 P76 L80 S81 G82 G83 R86N75-E78 HydrophobicContact CB-CB 4.06Å; N75-E78 HydrophobicContact CB-CG 4.17Å; N75-E78 WeakPolarHBondContact CB-OE2 3.43Å; N75-E78 PolarHBondContact ND2-OE2 3.26Å; N75-E78 PolarHBondContact O-N 3.41Å; P76-E78 PolarHBondContact O-N 3.41Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.95Å; E78-S81 WeakPolarHBondContact CA-OG 3.32Å; E78-S81 CarbonylContact O-C 3.17Å; E78-S81 WeakPolarHBondContact O-CA 3.5Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 3.28Å; E78-G82 PolarHBondContact O-N 2.87Å; E78-G83 VanDerWaalsContact O-CA 3.29Å; E78-G83 WeakPolarHBondContact O-CA 3.27Å; E78-G83 PolarHBondContact O-N 3.45Å; E78-R86 IonicContact OE2-NH2 3.71Å; E78-R86 PolarHBondContact OE2-NH2 3.4Å
79V97.3Very high97.7Very high0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-60.1-42.1178.1177.50000111.9L73 N75 P76 E77 S81 G82 P85 F168 M415L73-V79 HydrophobicContact CD1-CG2 4.23Å; N75-V79 WeakPolarHBondContact O-CG2 3.29Å; N75-V79 PolarHBondContact O-N 3Å; N75-V79 VanDerWaalsContact O-N 3.11Å; P76-V79 WeakPolarHBondContact O-CB 3.49Å; P76-V79 PolarHBondContact O-N 2.86Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 2.85Å; V79-S81 PolarHBondContact O-N 3.29Å; V79-G82 PolarHBondContact O-N 3.47Å; V79-G82 VanDerWaalsContact O-N 3.13Å; V79-P85 HydrophobicContact CG1-CG 4.05Å; V79-P85 VanDerWaalsContact CG2-CA 3.45Å; V79-P85 HydrophobicContact CG2-CB 3.91Å; V79-P85 HydrophobicContact CG2-CG 3.92Å; V79-F168 HydrophobicContact CB-CZ 4.29Å; V79-F168 HydrophobicContact CG1-CZ 3.98Å; V79-M415 HydrophobicContact CG1-CE 3.96Å; V79-M415 HydrophobicContact CG1-CG 3.89Å; V79-M415 HydrophobicContact CG1-SD 4.22Å; V79-M415 WeakPolarHBondContact O-CA 3.38Å
80L96.7Very high97.6Very high13 Ų1345.3 Ų45.37%0.06824%0.24CC..Hα-helixtrans-67.9-21.9176.4-63178.6000113P76 E77 E78 G82 A167 F168 K413 D414 M415P76-L80 WeakPolarHBondContact O-CG 3.36Å; P76-L80 PolarHBondContact O-N 3.38Å; P76-L80 VanDerWaalsContact O-N 3.1Å; E77-L80 PolarHBondContact O-N 3.44Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.95Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-A167 HydrophobicContact CD2-CB 3.71Å; L80-F168 HydrophobicContact CD1-CE2 4.31Å; L80-F168 HydrophobicContact CD2-CE2 3.85Å; L80-F168 HydrophobicContact CD2-CZ 4.42Å; L80-F168 HydrophobicContact CG-CE2 3.85Å; L80-K413 HydrophobicContact CB-CB 4.35Å; L80-K413 HydrophobicContact CB-CD 4.1Å; L80-K413 VanDerWaalsContact O-CB 3.23Å; L80-K413 WeakPolarHBondContact O-CB 3.3Å; L80-D414 WeakPolarHBondContact O-CA 3.49Å; L80-D414 PolarHBondContact O-N 3.18Å; L80-M415 HydrophobicContact CD2-CE 3.88Å
81S96.6Very high97.6Very high83 Ų8346.3 Ų46.358%0.5825%0.25SC*.THydrogen-bonded Turntrans-9111.7173.2660000114.2E77 E78 V79E77-S81 PolarHBondContact O-N 3.43Å; E77-S81 VanDerWaalsContact O-N 3.12Å; E77-S81 PolarHBondContact O-OG 2.92Å; E78-S81 WeakPolarHBondContact CA-OG 3.32Å; E78-S81 CarbonylContact O-C 3.17Å; E78-S81 WeakPolarHBondContact O-CA 3.5Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 3.28Å; V79-S81 PolarHBondContact O-N 3.29Å
82G95.5Very high97.5Very high33 Ų3347.7 Ų47.734%0.3426%0.259SS..THydrogen-bonded Turntrans89.66.3179.900000115.1E78 V79 L80 D414E78-G82 PolarHBondContact O-N 2.87Å; V79-G82 PolarHBondContact O-N 3.47Å; V79-G82 VanDerWaalsContact O-N 3.13Å; L80-G82 VanDerWaalsContact C-N 3.33Å; G82-D414 WeakPolarHBondContact CA-O 3.37Å; G82-D414 PolarHBondContact N-O 3.28Å
83G96.2Very high97.5Very high22 Ų2246.9 Ų46.923%0.22725%0.254CS..PPolyproline II helixtrans-68.616217100000113.1E78E78-G83 VanDerWaalsContact O-CA 3.29Å; E78-G83 WeakPolarHBondContact O-CA 3.27Å; E78-G83 PolarHBondContact O-N 3.45Å
84R96.4Very high97.5Very high121 Ų12147 Ų4746%0.45726%0.255SS..PPolyproline II helixtrans-79.4134.1179.8-170.6167.158.5169-5.9111.3N75 A364 D366N75-R84 PolarHBondContact ND2-O 3.23Å; R84-A364 WeakPolarHBondContact CD-O 3.25Å; R84-A364 WeakPolarHBondContact CG-O 3.35Å; R84-D366 IonicContact CZ-OD1 2.99Å; R84-D366 IonicContact CZ-OD2 2.71Å; R84-D366 VanDerWaalsContact NE-CG 3.28Å; R84-D366 IonicContact NE-OD1 2.72Å; R84-D366 PolarHBondContact NE-OD1 2.83Å; R84-D366 IonicContact NE-OD2 3.45Å; R84-D366 PolarHBondContact NE-OD2 2.69Å; R84-D366 IonicContact NH1-OD1 2.91Å; R84-D366 IonicContact NH2-OD1 3.42Å; R84-D366 PolarHBondContact NH2-OD1 3.07Å; R84-D366 IonicContact NH2-OD2 3.78Å; R84-D366 PolarHBondContact NH2-OD2 2.67Å
85P98.1Very high97.5Very high0 Ų044.5 Ų44.50%024%0.239CC..PPolyproline II helixtrans-63137.7176.6-20.931.5000112.7L73 V79 F87 M365 D366 Y419 F421L73-P85 HydrophobicContact CD1-CB 4.15Å; V79-P85 HydrophobicContact CG1-CG 4.05Å; V79-P85 VanDerWaalsContact CG2-CA 3.45Å; V79-P85 HydrophobicContact CG2-CB 3.91Å; V79-P85 HydrophobicContact CG2-CG 3.92Å; P85-F87 HydrophobicContact CB-CE2 3.76Å; P85-F87 HydrophobicContact CB-CZ 4.06Å; P85-M365 HydrophobicContact CB-CG 4.24Å; P85-M365 HydrophobicContact CG-CG 4.32Å; P85-D366 PolarHBondContact O-N 2.9Å; P85-Y419 HydrophobicContact CG-CD1 4.44Å; P85-Y419 HydrophobicContact CG-CD2 4.27Å; P85-Y419 HydrophobicContact CG-CE1 4.16Å; P85-Y419 HydrophobicContact CG-CE2 3.96Å; P85-F421 HydrophobicContact CB-CE2 4.1Å; P85-F421 HydrophobicContact CG-CE2 4.22Å
86R98.4Very high97.5Very high108 Ų10849.4 Ų49.441%0.40826%0.256SS..BIsolated β-bridgetrans-129.1125.7179-173.3-171.5-29.6-162.39.8111.5T74 N75 E78 D366T74-R86 PolarHBondContact N-O 2.88Å; T74-R86 WeakPolarHBondContact OG1-CB 3.45Å; T74-R86 WeakPolarHBondContact OG1-CG 3.35Å; T74-R86 PolarHBondContact OG1-O 2.88Å; N75-R86 WeakPolarHBondContact OD1-CB 3.35Å; N75-R86 PolarHBondContact OD1-N 2.9Å; E78-R86 IonicContact OE2-NH2 3.71Å; E78-R86 PolarHBondContact OE2-NH2 3.4Å; R86-D366 WeakPolarHBondContact CA-O 3.36Å; R86-D366 HydrophobicContact CB-CB 3.99Å; R86-D366 HydrophobicContact CG-CB 3.83Å
87F98.4Very high97.4Very high0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-115143.3-174.9-60.5-83.4000113.2Y71 N72 L73 P85 M365 D366 G367 I368 F421 P422Y71-F87 HydrophobicContact CD1-CB 4.07Å; N72-F87 CarbonylContact O-C 3.55Å; N72-F87 VanDerWaalsContact O-CA 3.28Å; N72-F87 WeakPolarHBondContact O-CA 3.25Å; L73-F87 HydrophobicContact CB-CD1 4.35Å; L73-F87 HydrophobicContact CB-CE1 4.14Å; L73-F87 HydrophobicContact CD1-CD1 4.43Å; L73-F87 HydrophobicContact CD1-CE1 4.01Å; L73-F87 HydrophobicContact CD1-CZ 4.21Å; P85-F87 HydrophobicContact CB-CE2 3.76Å; P85-F87 HydrophobicContact CB-CZ 4.06Å; F87-M365 HydrophobicContact CD2-CB 4.5Å; F87-M365 HydrophobicContact CE2-CB 4.23Å; F87-M365 HydrophobicContact CE2-CG 4.21Å; F87-M365 HydrophobicContact CE2-SD 3.7Å; F87-M365 HydrophobicContact CZ-SD 4.4Å; F87-D366 PolarHBondContact N-O 3.25Å; F87-G367 VanDerWaalsContact O-CA 3.25Å; F87-G367 WeakPolarHBondContact O-CA 3.48Å; F87-I368 HydrophobicContact CD2-CD1 4.29Å; F87-I368 HydrophobicContact CD2-CG1 4.34Å; F87-F421 AromaticContact CE1-CD1 3.98Å; F87-F421 HydrophobicContact CE1-CD1 3.98Å; F87-F421 AromaticContact CE1-CE1 3.32Å; F87-F421 HydrophobicContact CE1-CE1 3.32Å; F87-F421 HydrophobicContact CE1-CE2 4.39Å; F87-F421 AromaticContact CE1-CZ 3.56Å; F87-F421 HydrophobicContact CE1-CZ 3.56Å; F87-F421 AromaticContact CZ-CD1 3.75Å; F87-F421 HydrophobicContact CZ-CD1 3.75Å; F87-F421 HydrophobicContact CZ-CD2 4.08Å; F87-F421 AromaticContact CZ-CE1 3.36Å; F87-F421 HydrophobicContact CZ-CE1 3.36Å; F87-F421 AromaticContact CZ-CE2 3.7Å; F87-F421 HydrophobicContact CZ-CE2 3.7Å; F87-F421 HydrophobicContact CZ-CG 4.11Å; F87-F421 AromaticContact CZ-CZ 3.32Å; F87-F421 HydrophobicContact CZ-CZ 3.32Å; F87-P422 HydrophobicContact CD1-CG 4.4Å; F87-P422 HydrophobicContact CD2-CG 3.95Å; F87-P422 HydrophobicContact CE1-CG 4.15Å; F87-P422 HydrophobicContact CE2-CG 3.7Å; F87-P422 HydrophobicContact CG-CG 4.28Å; F87-P422 HydrophobicContact CZ-CG 3.79Å
88D98.1Very high97.2Very high92 Ų9245 Ų4549%0.49224%0.235SC..EExtended strand (participates in β ladder)trans-107.7135.9160.5-71.3-19.9000109.2N72 T74N72-D88 WeakPolarHBondContact CB-O 3.35Å; N72-D88 PolarHBondContact N-O 2.81Å; N72-D88 PolarHBondContact O-N 2.77Å; T74-D88 HydrophobicContact CG2-CB 4.14Å; T74-D88 WeakPolarHBondContact CG2-OD2 3.16Å
89E98Very high97Very high83 Ų8342.9 Ų42.939%0.38822%0.223SC..EExtended strand (participates in β ladder)trans-78.7128.4173.4-177.5176.7111.100110.4Y69 H353 W425Y69-E89 HydrophobicContact CD1-CG 4.17Å; Y69-E89 WeakPolarHBondContact CD1-OE1 3.28Å; E89-H353 IonicContact OE2-CE1 3.6Å; E89-H353 IonicContact OE2-NE2 3.46Å; E89-H353 PolarHBondContact OE2-NE2 2.99Å; E89-H353 VanDerWaalsContact OE2-NE2 3.08Å; E89-W425 VanDerWaalsContact CD-NE1 3.28Å; E89-W425 PolarHBondContact OE2-NE1 3.33Å
90V97.5Very high96.7Very high39 Ų3945.2 Ų45.224%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-122.7114.8179.8-173.90000109.8L70 N72 Y93L70-V90 PolarHBondContact N-O 3.09Å; L70-V90 PolarHBondContact O-N 3.4Å; N72-V90 HydrophobicContact CB-CG2 3.74Å; V90-Y93 HydrophobicContact CG1-CE2 4.09Å; V90-Y93 VanDerWaalsContact CG1-OH 3.3Å; V90-Y93 WeakPolarHBondContact CG1-OH 3.43Å
91G96.7Very high96.6Very high20 Ų2045.3 Ų45.321%0.20623%0.233CC..EExtended strand (participates in β ladder)trans162.3-171179.300000112.9
92P97.9Very high96.5Very high32 Ų3244.1 Ų44.121%0.20822%0.221CC..EExtended strand (participates in β ladder)cis-76.7149.5-1.428.5-32.4000113.3I68 Y69 V94 S130 V131I68-P92 WeakPolarHBondContact O-CA 3.12Å; Y69-P92 HydrophobicContact CD1-CB 4.47Å; Y69-P92 HydrophobicContact CE1-CB 3.86Å; Y69-P92 HydrophobicContact CE1-CG 4.26Å; Y69-P92 HydrophobicContact CE2-CB 3.93Å; P92-V94 HydrophobicContact CB-CG2 3.83Å; P92-V94 HydrophobicContact CG-CG2 4.09Å; P92-S130 CarbonylContact O-C 3.57Å; P92-S130 VanDerWaalsContact O-CA 3.27Å; P92-S130 WeakPolarHBondContact O-CA 3.29Å; P92-V131 PolarHBondContact O-N 3.25Å
93Y98.4Very high96.5Very high13 Ų1347.5 Ų47.55%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-102.5111.4156.8-59.1-80.8000108.1S67 I68 L70 V90 F125 V131 D134 P173S67-Y93 WeakPolarHBondContact CA-O 3.3Å; I68-Y93 PolarHBondContact N-O 2.97Å; I68-Y93 PolarHBondContact O-N 3.34Å; L70-Y93 HydrophobicContact CD1-CE2 4.28Å; V90-Y93 HydrophobicContact CG1-CE2 4.09Å; V90-Y93 VanDerWaalsContact CG1-OH 3.3Å; V90-Y93 WeakPolarHBondContact CG1-OH 3.43Å; Y93-F125 HydrophobicContact CD1-CE2 4.44Å; Y93-V131 HydrophobicContact CE1-CG1 4.18Å; Y93-D134 HydrophobicContact CD1-CB 3.88Å; Y93-D134 HydrophobicContact CE1-CB 4.45Å; Y93-P173 HydrophobicContact CD1-CB 4.2Å; Y93-P173 HydrophobicContact CD2-CB 4.09Å; Y93-P173 HydrophobicContact CE1-CB 3.82Å; Y93-P173 HydrophobicContact CE1-CG 3.68Å; Y93-P173 HydrophobicContact CE2-CB 3.7Å; Y93-P173 HydrophobicContact CE2-CG 3.83Å; Y93-P173 HydrophobicContact CG-CB 4.33Å; Y93-P173 WeakPolarHBondContact OH-CG 3.38Å
94V98.4Very high96.5Very high5 Ų548.3 Ų48.33%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-101.9133.5-169.1-176.30000110.7Y65 P92 F125 Q126 L129 S130Y65-V94 HydrophobicContact CD1-CG1 3.98Å; P92-V94 HydrophobicContact CB-CG2 3.83Å; P92-V94 HydrophobicContact CG-CG2 4.09Å; V94-F125 WeakPolarHBondContact O-CD2 3.46Å; V94-Q126 HydrophobicContact CB-CB 4.38Å; V94-Q126 HydrophobicContact CG1-CB 4.28Å; V94-Q126 HydrophobicContact CG1-CG 4.5Å; V94-Q126 PolarHBondContact O-N 3.49Å; V94-L129 HydrophobicContact CB-CB 3.83Å; V94-L129 HydrophobicContact CG1-CB 3.88Å; V94-L129 HydrophobicContact CG1-CD1 4.07Å; V94-L129 HydrophobicContact CG2-CB 3.97Å; V94-L129 WeakPolarHBondContact CG2-O 3.13Å; V94-S130 PolarHBondContact N-OG 3.16Å
95Y98.2Very high96.6Very high4 Ų447.6 Ų47.62%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-123.9140.4174.4-61.4-101.5000109.4Y65 F66 I68 Y124 F125 D134 W178Y65-Y95 CarbonylContact C-O 3.58Å; Y65-Y95 WeakPolarHBondContact CA-O 3.37Å; F66-Y95 PolarHBondContact N-O 3.37Å; F66-Y95 PolarHBondContact O-N 3.3Å; I68-Y95 HydrophobicContact CD1-CD2 4.09Å; I68-Y95 HydrophobicContact CD1-CE2 3.88Å; I68-Y95 HydrophobicContact CG1-CD2 4.41Å; I68-Y95 HydrophobicContact CG1-CE2 4.42Å; Y95-Y124 CarbonylContact C-O 3.57Å; Y95-Y124 VanDerWaalsContact CA-O 3.24Å; Y95-Y124 WeakPolarHBondContact CA-O 3.43Å; Y95-F125 HydrophobicContact CD1-CB 3.95Å; Y95-F125 HydrophobicContact CD1-CD2 4.25Å; Y95-F125 HydrophobicContact CE1-CB 3.77Å; Y95-F125 AromaticContact CE1-CD2 3.81Å; Y95-F125 HydrophobicContact CE1-CD2 3.81Å; Y95-F125 HydrophobicContact CE1-CG 4.24Å; Y95-F125 HydrophobicContact CE2-CD2 4.1Å; Y95-F125 AromaticContact CZ-CD2 3.72Å; Y95-D134 PolarHBondContact OH-OD2 3.38Å; Y95-W178 AromaticContact CD1-CZ2 3.84Å; Y95-W178 HydrophobicContact CD1-CZ2 3.84Å; Y95-W178 HydrophobicContact CD2-CZ2 4.38Å; Y95-W178 AromaticContact CE1-CE2 3.78Å; Y95-W178 AromaticContact CE1-CZ2 3.62Å; Y95-W178 HydrophobicContact CE1-CZ2 3.62Å; Y95-W178 AromaticContact CE1-NE1 3.39Å; Y95-W178 HydrophobicContact CE2-CZ2 4.21Å; Y95-W178 HydrophobicContact CG-CZ2 4.22Å; Y95-W178 AromaticContact CZ-CE2 3.88Å; Y95-W178 AromaticContact CZ-CZ2 3.83Å; Y95-W178 AromaticContact CZ-NE1 3.3Å; Y95-W178 VanDerWaalsContact CZ-NE1 3.3Å; Y95-W178 PolarHBondContact OH-NE1 2.9Å
96R97.5Very high96.6Very high113 Ų11350.1 Ų50.143%0.42624%0.244SC..EExtended strand (participates in β ladder)trans-84.6125.5164.6-172.9-174.870.9175.81.1108.4Y65 Y124 Q126Y65-R96 HydrophobicContact CD1-CB 4.39Å; Y65-R96 HydrophobicContact CE1-CB 4.28Å; Y65-R96 HydrophobicContact CE1-CG 4.45Å; R96-Y124 PolarHBondContact N-O 3.41Å; R96-Y124 PolarHBondContact O-N 3.16Å; R96-Q126 HydrophobicContact CB-CG 4.03Å
97E95.7Very high96.5Very high12 Ų1246.2 Ų46.26%0.05623%0.233CC..EExtended strand (participates in β ladder)trans-82.9139.8173.5-64.9-173.8-177.400111.2V64 F66 R99 I121 L122 Y123V64-E97 HydrophobicContact CB-CB 4.15Å; V64-E97 HydrophobicContact CG1-CB 4.28Å; V64-E97 HydrophobicContact CG1-CG 4.34Å; V64-E97 PolarHBondContact O-N 3.47Å; F66-E97 HydrophobicContact CB-CG 3.87Å; F66-E97 WeakPolarHBondContact CB-OE1 3.42Å; F66-E97 WeakPolarHBondContact CD2-OE1 3.45Å; E97-R99 IonicContact OE1-NH2 3.56Å; E97-R99 IonicContact OE2-CZ 3.54Å; E97-R99 IonicContact OE2-NE 3.5Å; E97-R99 PolarHBondContact OE2-NE 2.74Å; E97-R99 IonicContact OE2-NH2 2.74Å; E97-R99 PolarHBondContact OE2-NH2 3.4Å; E97-I121 HydrophobicContact CB-CG2 4.21Å; E97-I121 HydrophobicContact CG-CG2 4.25Å; E97-L122 CarbonylContact C-O 3.56Å; E97-L122 VanDerWaalsContact CA-O 3.31Å; E97-L122 WeakPolarHBondContact CA-O 3.42Å; E97-Y123 HydrophobicContact CG-CD1 3.8Å; E97-Y123 HydrophobicContact CG-CE1 3.66Å; E97-Y123 WeakPolarHBondContact OE1-CE1 3.29Å
98D93.9Very high96.4Very high55 Ų5555.8 Ų55.829%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-113.6109.2163.417822.4000108.9Q100 I121 L122 Y124D98-Q100 PolarHBondContact OD2-NE2 2.77Å; D98-I121 WeakPolarHBondContact O-CA 3.39Å; D98-L122 HydrophobicContact CB-CB 4.33Å; D98-L122 PolarHBondContact N-O 3.48Å; D98-L122 PolarHBondContact O-N 3.15Å; D98-Y124 HydrophobicContact CB-CD2 4.32Å; D98-Y124 HydrophobicContact CB-CE2 3.62Å
99R92.3Very high96.2Very high52 Ų5256 Ų5620%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-95.2100-177.1-70.1-177.7178.8-150.2-22.4109.3E97 I121 E428E97-R99 IonicContact OE1-NH2 3.56Å; E97-R99 IonicContact OE2-CZ 3.54Å; E97-R99 IonicContact OE2-NE 3.5Å; E97-R99 PolarHBondContact OE2-NE 2.74Å; E97-R99 IonicContact OE2-NH2 2.74Å; E97-R99 PolarHBondContact OE2-NH2 3.4Å; R99-I121 HydrophobicContact CG-CG1 4.39Å; R99-E428 IonicContact CZ-OE1 3.33Å; R99-E428 VanDerWaalsContact CZ-OE1 3.31Å; R99-E428 IonicContact CZ-OE2 2.71Å; R99-E428 IonicContact NH1-OE1 3.05Å; R99-E428 PolarHBondContact NH1-OE1 3.07Å; R99-E428 IonicContact NH2-OE1 3.46Å; R99-E428 PolarHBondContact NH2-OE1 3.48Å; R99-E428 IonicContact NH2-OE2 3.29Å; R99-E428 PolarHBondContact NH2-OE2 3.29Å
100Q92.1Very high96Very high50 Ų5057.8 Ų57.823%0.23430%0.298CS..EExtended strand (participates in β ladder)trans-92.5135.7-177.5-60.1-173.8-10.200111D98 H119 R120 L122D98-Q100 PolarHBondContact OD2-NE2 2.77Å; Q100-H119 WeakPolarHBondContact O-CA 3.49Å; Q100-H119 PolarHBondContact O-ND1 3.35Å; Q100-R120 HydrophobicContact CB-CB 4.49Å; Q100-R120 PolarHBondContact N-O 3.37Å; Q100-R120 PolarHBondContact O-N 3.31Å; Q100-R120 VanDerWaalsContact O-N 3.09Å; Q100-L122 HydrophobicContact CG-CD1 3.88Å
101R94.6Very high95.8Very high14 Ų1458.2 Ų58.25%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-115.896169.2-66.4-174.9167.4103.1-4.5108.3W57 V104 Y117 Q118 D252 S254W57-R101 VanDerWaalsContact CE2-NE 3.33Å; W57-R101 VanDerWaalsContact CZ2-CD 3.41Å; W57-R101 PolarHBondContact O-NH1 2.91Å; R101-V104 HydrophobicContact CB-CG2 4.42Å; R101-V104 WeakPolarHBondContact O-CG2 3.19Å; R101-Y117 HydrophobicContact CB-CD2 3.95Å; R101-Y117 HydrophobicContact CG-CD2 3.73Å; R101-Y117 HydrophobicContact CG-CE2 3.84Å; R101-Q118 CarbonylContact C-O 3.49Å; R101-Q118 WeakPolarHBondContact CA-O 3.22Å; R101-D252 IonicContact NH2-OD2 2.72Å; R101-D252 PolarHBondContact NH2-OD2 2.88Å; R101-S254 PolarHBondContact NH2-OG 3.36Å
102N93.9Very high95.8Very high59 Ų5958.1 Ų58.132%0.31630%0.297SS..EExtended strand (participates in β ladder)trans-98.1164.6-174.9-61.9-30.9000110.6V104 Q118N102-V104 VanDerWaalsContact C-N 3.28Å; N102-V104 PolarHBondContact O-N 3.32Å; N102-Q118 HydrophobicContact CB-CB 4.3Å; N102-Q118 PolarHBondContact N-O 3.36Å; N102-Q118 PolarHBondContact O-N 2.74Å
103N95.7Very high95.8Very high104 Ų10461.5 Ų61.556%0.55631%0.309SS*.EExtended strand (participates in β ladder)trans48.149.6175.2-61-22.9000112.9E105 Q118N103-E105 PolarHBondContact O-N 2.91Å; N103-Q118 PolarHBondContact ND2-OE1 3.11Å
104V97Very high95.7Very high39 Ų3962.5 Ų62.524%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-77.8117.1-175.7-175.90000109.9F54 W57 R101 N102 F106 V115 K116F54-V104 HydrophobicContact CE2-CG1 3.89Å; F54-V104 HydrophobicContact CZ-CG1 4.21Å; W57-V104 HydrophobicContact CZ3-CG1 4.32Å; R101-V104 HydrophobicContact CB-CG2 4.42Å; R101-V104 WeakPolarHBondContact O-CG2 3.19Å; N102-V104 VanDerWaalsContact C-N 3.28Å; N102-V104 PolarHBondContact O-N 3.32Å; V104-F106 HydrophobicContact CG1-CE2 4.1Å; V104-V115 HydrophobicContact CG1-CG2 3.49Å; V104-V115 VanDerWaalsContact CG1-CG2 3.49Å; V104-K116 CarbonylContact C-O 3.54Å; V104-K116 WeakPolarHBondContact CA-O 3.22Å
105E97.5Very high95.7Very high106 Ų10662.2 Ų62.250%0.49531%0.314SS..EExtended strand (participates in β ladder)trans-126.4121.1-175.8-67.7170.1178.200109.4N103 V115 K116N103-E105 PolarHBondContact O-N 2.91Å; E105-V115 WeakPolarHBondContact O-CA 3.43Å; E105-K116 HydrophobicContact CB-CB 4.4Å; E105-K116 PolarHBondContact N-O 3.38Å; E105-K116 PolarHBondContact O-N 3.16Å; E105-K116 IonicContact OE2-NZ 2.85Å; E105-K116 PolarHBondContact OE2-NZ 3.47Å
106F97.9Very high95.7Very high52 Ų5266.3 Ų66.323%0.22833%0.332CS..EExtended strand (participates in β ladder)trans-90151.2175.4-75.7-85.6000111I47 P49 F54 V104 P112 V115 T217I47-F106 WeakPolarHBondContact O-CE1 3.39Å; P49-F106 HydrophobicContact CB-CD2 4.48Å; P49-F106 HydrophobicContact CB-CE2 4.26Å; P49-F106 HydrophobicContact CG-CB 4.46Å; P49-F106 HydrophobicContact CG-CD1 4.02Å; P49-F106 HydrophobicContact CG-CD2 3.66Å; P49-F106 HydrophobicContact CG-CE1 4.1Å; P49-F106 HydrophobicContact CG-CE2 3.73Å; P49-F106 HydrophobicContact CG-CG 3.78Å; P49-F106 HydrophobicContact CG-CZ 3.94Å; F54-F106 HydrophobicContact CD2-CE2 4.05Å; F54-F106 AromaticContact CD2-CZ 3.54Å; F54-F106 HydrophobicContact CD2-CZ 3.54Å; F54-F106 AromaticContact CE2-CE2 3.56Å; F54-F106 HydrophobicContact CE2-CE2 3.56Å; F54-F106 AromaticContact CE2-CZ 3.49Å; F54-F106 HydrophobicContact CE2-CZ 3.49Å; F54-F106 VanDerWaalsContact CE2-CZ 3.49Å; F54-F106 HydrophobicContact CG-CZ 4.33Å; F54-F106 AromaticContact CZ-CE2 3.91Å; F54-F106 HydrophobicContact CZ-CE2 3.91Å; F54-F106 HydrophobicContact CZ-CZ 4.26Å; V104-F106 HydrophobicContact CG1-CE2 4.1Å; F106-P112 HydrophobicContact CB-CB 3.89Å; F106-P112 HydrophobicContact CB-CG 3.97Å; F106-P112 HydrophobicContact CD1-CB 3.77Å; F106-P112 HydrophobicContact CD1-CG 4.15Å; F106-P112 HydrophobicContact CG-CB 4.26Å; F106-P112 HydrophobicContact CG-CG 4.35Å; F106-V115 HydrophobicContact CD1-CB 3.75Å; F106-V115 HydrophobicContact CD1-CG2 3.94Å; F106-V115 HydrophobicContact CD2-CG2 4.3Å; F106-V115 HydrophobicContact CE1-CB 3.7Å; F106-V115 HydrophobicContact CE1-CG1 4.41Å; F106-V115 HydrophobicContact CE1-CG2 3.79Å; F106-V115 HydrophobicContact CE2-CG2 4.17Å; F106-V115 HydrophobicContact CG-CB 4.42Å; F106-V115 HydrophobicContact CG-CG2 4.22Å; F106-V115 HydrophobicContact CZ-CB 4.33Å; F106-V115 HydrophobicContact CZ-CG2 3.93Å; F106-T217 HydrophobicContact CD1-CG2 4.28Å; F106-T217 HydrophobicContact CE1-CG2 4.19Å
107S97.4Very high95.7Very high26 Ų2661 Ų6118%0.18231%0.312CS..  trans-66.2155.8171.874.90000112E109 K113 T114S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 3.05Å; S107-E109 PolarHBondContact OG-OE2 3.13Å; S107-K113 PolarHBondContact OG-N 2.89Å; S107-T114 PolarHBondContact N-O 3.33Å; S107-T114 PolarHBondContact OG-N 2.9Å
108E96.4Very high95.7Very high202 Ų20263.1 Ų63.194%0.94432%0.322SS*.SBendtrans-72.5-18.9-170-63.4-175164.100114.2
109E94.1Very high95.8Very high97 Ų9762.1 Ų62.145%0.45332%0.316SS..SBendtrans-66.3156.5-180-50.494.9150.100112.1S107 P111 P112S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 3.05Å; S107-E109 PolarHBondContact OG-OE2 3.13Å; E109-P111 CarbonylContact O-C 3.58Å; E109-P112 VanDerWaalsContact O-CA 3.22Å; E109-P112 WeakPolarHBondContact O-CA 3.45Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å
110S92.5Very high95.9Very high119 Ų11964 Ų6483%0.83232%0.323SS*.SBendtrans-120.4111.5177.1-1720000110.6
111P93.8Very high96Very high49 Ų4963 Ų6332%0.31832%0.319SS..SBendcis-73.3152.8-1.832.1-35.9000113L48 E109 K113 A219 Y220L48-P111 HydrophobicContact CD1-CB 4.28Å; L48-P111 HydrophobicContact CD2-CB 3.87Å; E109-P111 CarbonylContact O-C 3.58Å; P111-K113 PolarHBondContact O-N 2.82Å; P111-A219 HydrophobicContact CB-CB 3.96Å; P111-A219 HydrophobicContact CG-CB 3.77Å; P111-Y220 WeakPolarHBondContact O-CE2 3.24Å; P111-Y220 PolarHBondContact O-OH 3.32Å
112P96.9Very high96.1Very high18 Ų1863.7 Ų63.712%0.11732%0.323CS..  trans-58.5130.5178.7-28.635.1000112.5P49 F106 E109 T217P49-P112 HydrophobicContact CG-CG 4.24Å; F106-P112 HydrophobicContact CB-CB 3.89Å; F106-P112 HydrophobicContact CB-CG 3.97Å; F106-P112 HydrophobicContact CD1-CB 3.77Å; F106-P112 HydrophobicContact CD1-CG 4.15Å; F106-P112 HydrophobicContact CG-CB 4.26Å; F106-P112 HydrophobicContact CG-CG 4.35Å; E109-P112 VanDerWaalsContact O-CA 3.22Å; E109-P112 WeakPolarHBondContact O-CA 3.45Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å; P112-T217 WeakPolarHBondContact O-CG2 3.25Å; P112-T217 PolarHBondContact O-OG1 2.94Å
113K97Very high96.2Very high103 Ų10361.8 Ų61.845%0.44831%0.312SS..SBendtrans-78.9-36.5179.1-174.4178.5176.2-176.40112.2S107 P111 T217 Y220S107-K113 PolarHBondContact OG-N 2.89Å; P111-K113 PolarHBondContact O-N 2.82Å; K113-T217 PolarHBondContact O-N 2.61Å; K113-T217 PolarHBondContact O-OG1 2.97Å; K113-T217 VanDerWaalsContact O-OG1 3.1Å; K113-Y220 HydrophobicContact CB-CD2 4.04Å; K113-Y220 HydrophobicContact CB-CE2 3.74Å; K113-Y220 HydrophobicContact CG-CD2 3.99Å; K113-Y220 HydrophobicContact CG-CE2 4.16Å
114T97.9Very high96.3Very high33 Ų3361.4 Ų61.420%0.20230%0.303CS..EExtended strand (participates in β ladder)trans-130.9158.6-176.365.60000111.5S107 V214 I215 L229S107-T114 PolarHBondContact N-O 3.33Å; S107-T114 PolarHBondContact OG-N 2.9Å; T114-V214 HydrophobicContact CG2-CG1 4.45Å; T114-I215 VanDerWaalsContact CA-O 3.23Å; T114-I215 WeakPolarHBondContact CA-O 3.43Å; T114-I215 WeakPolarHBondContact CB-O 3.29Å; T114-L229 HydrophobicContact CG2-CD1 3.53Å
115V97.6Very high96.3Very high0 Ų061.6 Ų61.60%030%0.301CS..EExtended strand (participates in β ladder)trans-132.1129.9169.460.80000109.3W57 V104 E105 F106 V214 I215 T217W57-V115 HydrophobicContact CH2-CG1 4.16Å; W57-V115 HydrophobicContact CH2-CG2 4.37Å; V104-V115 HydrophobicContact CG1-CG2 3.49Å; V104-V115 VanDerWaalsContact CG1-CG2 3.49Å; E105-V115 WeakPolarHBondContact O-CA 3.43Å; F106-V115 HydrophobicContact CD1-CB 3.75Å; F106-V115 HydrophobicContact CD1-CG2 3.94Å; F106-V115 HydrophobicContact CD2-CG2 4.3Å; F106-V115 HydrophobicContact CE1-CB 3.7Å; F106-V115 HydrophobicContact CE1-CG1 4.41Å; F106-V115 HydrophobicContact CE1-CG2 3.79Å; F106-V115 HydrophobicContact CE2-CG2 4.17Å; F106-V115 HydrophobicContact CG-CB 4.42Å; F106-V115 HydrophobicContact CG-CG2 4.22Å; F106-V115 HydrophobicContact CZ-CB 4.33Å; F106-V115 HydrophobicContact CZ-CG2 3.93Å; V115-V214 WeakPolarHBondContact O-CA 3.1Å; V115-I215 HydrophobicContact CG1-CD1 3.74Å; V115-I215 HydrophobicContact CG1-CG1 3.37Å; V115-I215 PolarHBondContact N-O 3.18Å; V115-I215 PolarHBondContact O-N 3.37Å; V115-T217 HydrophobicContact CB-CG2 4.24Å; V115-T217 HydrophobicContact CG1-CG2 4.2Å
116K98Very high96.4Very high89 Ų8958 Ų5839%0.38728%0.284SS..EExtended strand (participates in β ladder)trans-100.1141173.9179.4-174.7168.2-154.70109.1V104 E105 F213 V214V104-K116 CarbonylContact C-O 3.54Å; V104-K116 WeakPolarHBondContact CA-O 3.22Å; E105-K116 HydrophobicContact CB-CB 4.4Å; E105-K116 PolarHBondContact N-O 3.38Å; E105-K116 PolarHBondContact O-N 3.16Å; E105-K116 IonicContact OE2-NZ 2.85Å; E105-K116 PolarHBondContact OE2-NZ 3.47Å; K116-F213 CarbonylContact C-O 3.46Å; K116-F213 VanDerWaalsContact CA-O 3.25Å; K116-F213 WeakPolarHBondContact CA-O 3.24Å; K116-V214 HydrophobicContact CB-CG2 4.17Å; K116-V214 HydrophobicContact CG-CG2 4.11Å
117Y97.3Very high96.3Very high1 Ų159.2 Ų59.20%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-158.5160.3176.365-79.3000111.7W57 R101 H119 F213 I215 D252W57-Y117 AromaticContact CH2-CD1 3.5Å; W57-Y117 HydrophobicContact CH2-CD1 3.5Å; W57-Y117 HydrophobicContact CH2-CD2 4.38Å; W57-Y117 AromaticContact CH2-CE1 3.76Å; W57-Y117 HydrophobicContact CH2-CE1 3.76Å; W57-Y117 AromaticContact CH2-CG 3.84Å; W57-Y117 HydrophobicContact CH2-CG 3.84Å; W57-Y117 AromaticContact CZ2-CD1 3.74Å; W57-Y117 HydrophobicContact CZ2-CD1 3.74Å; W57-Y117 AromaticContact CZ2-CE1 3.45Å; W57-Y117 HydrophobicContact CZ2-CE1 3.45Å; W57-Y117 VanDerWaalsContact CZ2-CE1 3.45Å; W57-Y117 HydrophobicContact CZ2-CE2 4.27Å; W57-Y117 HydrophobicContact CZ2-CG 4.27Å; W57-Y117 AromaticContact CZ2-CZ 3.73Å; R101-Y117 HydrophobicContact CB-CD2 3.95Å; R101-Y117 HydrophobicContact CG-CD2 3.73Å; R101-Y117 HydrophobicContact CG-CE2 3.84Å; Y117-H119 HydrophobicContact CD2-CB 4.38Å; Y117-H119 HydrophobicContact CE2-CB 4.01Å; Y117-F213 HydrophobicContact CD1-CB 4.05Å; Y117-F213 HydrophobicContact CE1-CB 3.47Å; Y117-F213 VanDerWaalsContact CE1-CB 3.47Å; Y117-F213 HydrophobicContact CE1-CG 4.41Å; Y117-F213 HydrophobicContact CE2-CB 4.05Å; Y117-F213 HydrophobicContact CE2-CD2 4.24Å; Y117-F213 HydrophobicContact CE2-CG 4.36Å; Y117-F213 VanDerWaalsContact CZ-CB 3.48Å; Y117-F213 AromaticContact CZ-CG 3.95Å; Y117-F213 PolarHBondContact N-O 2.8Å; Y117-F213 PolarHBondContact O-N 3.17Å; Y117-I215 HydrophobicContact CE1-CD1 4.02Å; Y117-I215 HydrophobicContact CE1-CG1 4.12Å; Y117-I215 HydrophobicContact CE1-CG2 4.03Å; Y117-D252 PolarHBondContact OH-OD2 2.84Å
118Q96.7Very high96.3Very high58 Ų5864.5 Ų64.527%0.27132%0.319SS..EExtended strand (participates in β ladder)trans-97.9122.9170.4-83.7177.9-13.200110.5R101 N102 N103 V210 D212R101-Q118 CarbonylContact C-O 3.49Å; R101-Q118 WeakPolarHBondContact CA-O 3.22Å; N102-Q118 HydrophobicContact CB-CB 4.3Å; N102-Q118 PolarHBondContact N-O 3.36Å; N102-Q118 PolarHBondContact O-N 2.74Å; N103-Q118 PolarHBondContact ND2-OE1 3.11Å; Q118-V210 HydrophobicContact CB-CG1 3.83Å; Q118-V210 HydrophobicContact CG-CG1 3.81Å; Q118-D212 WeakPolarHBondContact CG-OD1 3.4Å; Q118-D212 PolarHBondContact NE2-OD1 3.05Å
119H94.7Very high96.3Very high34 Ų3457.5 Ų57.516%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-96.3131176.1-168.548.7000111.1Q100 Y117 I121 V210 S211 F213Q100-H119 WeakPolarHBondContact O-CA 3.49Å; Q100-H119 PolarHBondContact O-ND1 3.35Å; Y117-H119 HydrophobicContact CD2-CB 4.38Å; Y117-H119 HydrophobicContact CE2-CB 4.01Å; H119-I121 WeakPolarHBondContact NE2-CG1 3.19Å; H119-V210 WeakPolarHBondContact O-CA 3.29Å; H119-S211 PolarHBondContact N-O 3.29Å; H119-S211 PolarHBondContact O-N 2.76Å; H119-F213 HydrophobicContact CB-CD2 3.94Å; H119-F213 HydrophobicContact CB-CE2 3.93Å
120R94.2Very high96.5Very high90 Ų9053.9 Ų53.934%0.3427%0.273SS..EExtended strand (participates in β ladder)trans-141.4138.7177.3-176-173.7-171-167.72.1108.8Q100 G207 V210Q100-R120 HydrophobicContact CB-CB 4.49Å; Q100-R120 PolarHBondContact N-O 3.37Å; Q100-R120 PolarHBondContact O-N 3.31Å; Q100-R120 VanDerWaalsContact O-N 3.09Å; R120-G207 PolarHBondContact NE-O 3.29Å; R120-G207 PolarHBondContact NH2-O 3.2Å; R120-V210 HydrophobicContact CG-CG2 4.49Å
121I94.6Very high96.7Very high31 Ų3152.8 Ų52.816%0.15926%0.261CS..EExtended strand (participates in β ladder)trans-118.4132178.1-52.2178.5000109.1E97 D98 R99 H119 Y123 G207E97-I121 HydrophobicContact CB-CG2 4.21Å; E97-I121 HydrophobicContact CG-CG2 4.25Å; D98-I121 WeakPolarHBondContact O-CA 3.39Å; R99-I121 HydrophobicContact CG-CG1 4.39Å; H119-I121 WeakPolarHBondContact NE2-CG1 3.19Å; I121-Y123 HydrophobicContact CB-CE2 4.16Å; I121-Y123 HydrophobicContact CG2-CD2 4.28Å; I121-Y123 HydrophobicContact CG2-CE1 4.24Å; I121-Y123 HydrophobicContact CG2-CE2 3.67Å; I121-G207 WeakPolarHBondContact O-CA 3.47Å; I121-G207 PolarHBondContact O-N 2.91Å
122L96.2Very high96.9Very high27 Ų2751.6 Ų51.614%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-112.2148.7169.6-58.192.7000109.8E97 D98 Q100 Y124 N206E97-L122 CarbonylContact C-O 3.56Å; E97-L122 VanDerWaalsContact CA-O 3.31Å; E97-L122 WeakPolarHBondContact CA-O 3.42Å; D98-L122 HydrophobicContact CB-CB 4.33Å; D98-L122 PolarHBondContact N-O 3.48Å; D98-L122 PolarHBondContact O-N 3.15Å; Q100-L122 HydrophobicContact CG-CD1 3.88Å; L122-Y124 HydrophobicContact CB-CE2 3.9Å; L122-N206 WeakPolarHBondContact CA-OD1 3.43Å
123Y97.2Very high96.9Very high20 Ų2053.3 Ų53.38%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-121.9121.3-178.9-60.7-97.8000109.6F66 E97 I121 W178 K205 N206F66-Y123 HydrophobicContact CB-CD1 4.25Å; F66-Y123 HydrophobicContact CB-CE1 4.16Å; F66-Y123 AromaticContact CD1-CD1 3.98Å; F66-Y123 HydrophobicContact CD1-CD1 3.98Å; F66-Y123 AromaticContact CD1-CE1 3.71Å; F66-Y123 HydrophobicContact CD1-CE1 3.71Å; F66-Y123 HydrophobicContact CE1-CE1 4.17Å; F66-Y123 HydrophobicContact CG-CD1 4.32Å; F66-Y123 AromaticContact CG-CE1 3.91Å; F66-Y123 HydrophobicContact CG-CE1 3.91Å; E97-Y123 HydrophobicContact CG-CD1 3.8Å; E97-Y123 HydrophobicContact CG-CE1 3.66Å; E97-Y123 WeakPolarHBondContact OE1-CE1 3.29Å; I121-Y123 HydrophobicContact CB-CE2 4.16Å; I121-Y123 HydrophobicContact CG2-CD2 4.28Å; I121-Y123 HydrophobicContact CG2-CE1 4.24Å; I121-Y123 HydrophobicContact CG2-CE2 3.67Å; Y123-W178 AromaticContact CD1-CH2 3.89Å; Y123-W178 HydrophobicContact CD1-CH2 3.89Å; Y123-W178 AromaticContact CD2-CH2 3.57Å; Y123-W178 HydrophobicContact CD2-CH2 3.57Å; Y123-W178 AromaticContact CD2-CZ3 3.94Å; Y123-W178 HydrophobicContact CD2-CZ3 3.94Å; Y123-W178 HydrophobicContact CE1-CH2 4.45Å; Y123-W178 HydrophobicContact CE2-CH2 4.19Å; Y123-W178 HydrophobicContact CE2-CZ3 4.37Å; Y123-W178 AromaticContact CG-CH2 3.4Å; Y123-W178 HydrophobicContact CG-CH2 3.4Å; Y123-W178 HydrophobicContact CG-CZ2 4.1Å; Y123-W178 HydrophobicContact CG-CZ3 4.24Å; Y123-K205 HydrophobicContact CE2-CB 4.49Å; Y123-N206 HydrophobicContact CD2-CB 4.09Å; Y123-N206 PolarHBondContact N-OD1 3.35Å; Y123-N206 PolarHBondContact O-ND2 2.91Å
124Y97.3Very high96.9Very high96 Ų9648.5 Ų48.538%0.37625%0.248SC..EExtended strand (participates in β ladder)trans-112.3116.1179.2-59.6-82.7000109.8Y95 R96 D98 L122 Q126Y95-Y124 CarbonylContact C-O 3.57Å; Y95-Y124 VanDerWaalsContact CA-O 3.24Å; Y95-Y124 WeakPolarHBondContact CA-O 3.43Å; R96-Y124 PolarHBondContact N-O 3.41Å; R96-Y124 PolarHBondContact O-N 3.16Å; D98-Y124 HydrophobicContact CB-CD2 4.32Å; D98-Y124 HydrophobicContact CB-CE2 3.62Å; L122-Y124 HydrophobicContact CB-CE2 3.9Å; Y124-Q126 PolarHBondContact O-NE2 3.24Å
125F98.1Very high96.9Very high42 Ų4251 Ų5118%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-58.8142.2-178.9-174.8-118.4000111.9Y93 V94 Y95 P127 S130 G132 D134Y93-F125 HydrophobicContact CD1-CE2 4.44Å; V94-F125 WeakPolarHBondContact O-CD2 3.46Å; Y95-F125 HydrophobicContact CD1-CB 3.95Å; Y95-F125 HydrophobicContact CD1-CD2 4.25Å; Y95-F125 HydrophobicContact CE1-CB 3.77Å; Y95-F125 AromaticContact CE1-CD2 3.81Å; Y95-F125 HydrophobicContact CE1-CD2 3.81Å; Y95-F125 HydrophobicContact CE1-CG 4.24Å; Y95-F125 HydrophobicContact CE2-CD2 4.1Å; Y95-F125 AromaticContact CZ-CD2 3.72Å; F125-P127 HydrophobicContact CD1-CG 3.77Å; F125-P127 HydrophobicContact CE1-CB 4.05Å; F125-P127 HydrophobicContact CE1-CG 3.75Å; F125-S130 VanDerWaalsContact CE2-OG 3.23Å; F125-S130 WeakPolarHBondContact CE2-OG 3.37Å; F125-S130 WeakPolarHBondContact CZ-OG 3.49Å; F125-G132 WeakPolarHBondContact CZ-O 3.29Å; F125-D134 HydrophobicContact CD2-CB 4.22Å; F125-D134 HydrophobicContact CE2-CB 3.8Å; F125-D134 HydrophobicContact CZ-CB 4.01Å
126Q98Very high96.8Very high31 Ų3156.6 Ų56.615%0.14529%0.287CS..  trans-121.788-179.1-58-66.1-93.600109Y65 V94 R96 Y124 E128 L129 S130Y65-Q126 HydrophobicContact CE1-CG 4.28Å; V94-Q126 HydrophobicContact CB-CB 4.38Å; V94-Q126 HydrophobicContact CG1-CB 4.28Å; V94-Q126 HydrophobicContact CG1-CG 4.5Å; V94-Q126 PolarHBondContact O-N 3.49Å; R96-Q126 HydrophobicContact CB-CG 4.03Å; Y124-Q126 PolarHBondContact O-NE2 3.24Å; Q126-E128 VanDerWaalsContact C-N 3.28Å; Q126-E128 PolarHBondContact O-N 2.87Å; Q126-L129 HydrophobicContact CB-CB 4.19Å; Q126-L129 HydrophobicContact CB-CD1 4.21Å; Q126-L129 HydrophobicContact CB-CG 4.32Å; Q126-L129 PolarHBondContact O-N 3.01Å; Q126-S130 PolarHBondContact O-N 3.31Å; Q126-S130 PolarHBondContact O-OG 2.78Å
127P96.8Very high96.6Very high78 Ų7854.8 Ų54.851%0.50629%0.293SS..G310 helixtrans-55.5-40.2-176.8-2531.9000113.7F125 L129 S130F125-P127 HydrophobicContact CD1-CG 3.77Å; F125-P127 HydrophobicContact CE1-CB 4.05Å; F125-P127 HydrophobicContact CE1-CG 3.75Å; P127-L129 VanDerWaalsContact C-N 3.25Å; P127-L129 PolarHBondContact O-N 3.36Å; P127-S130 PolarHBondContact O-N 3.09Å
128E97.3Very high96.7Very high136 Ų13659.8 Ų59.864%0.63632%0.319SS*.G310 helixtrans-70.9-16.9-176.869-71.3167.800114.4Q126Q126-E128 VanDerWaalsContact C-N 3.28Å; Q126-E128 PolarHBondContact O-N 2.87Å
129L96.9Very high96.7Very high56 Ų5657.2 Ų57.229%0.29331%0.307SS..G310 helixtrans-103.3-3.9175.4-58.8-178.9000112.3Y65 V94 Q126 P127Y65-L129 HydrophobicContact CD1-CD1 3.91Å; Y65-L129 HydrophobicContact CE1-CD1 3.53Å; V94-L129 HydrophobicContact CB-CB 3.83Å; V94-L129 HydrophobicContact CG1-CB 3.88Å; V94-L129 HydrophobicContact CG1-CD1 4.07Å; V94-L129 HydrophobicContact CG2-CB 3.97Å; V94-L129 WeakPolarHBondContact CG2-O 3.13Å; Q126-L129 HydrophobicContact CB-CB 4.19Å; Q126-L129 HydrophobicContact CB-CD1 4.21Å; Q126-L129 HydrophobicContact CB-CG 4.32Å; Q126-L129 PolarHBondContact O-N 3.01Å; P127-L129 VanDerWaalsContact C-N 3.25Å; P127-L129 PolarHBondContact O-N 3.36Å
130S98Very high96.9Very high20 Ų2056.6 Ų56.614%0.1431%0.306CS..SBendtrans-102.2157.4-175.3-57.90000111.8P92 V94 F125 Q126 P127 G132P92-S130 CarbonylContact O-C 3.57Å; P92-S130 VanDerWaalsContact O-CA 3.27Å; P92-S130 WeakPolarHBondContact O-CA 3.29Å; V94-S130 PolarHBondContact N-OG 3.16Å; F125-S130 VanDerWaalsContact CE2-OG 3.23Å; F125-S130 WeakPolarHBondContact CE2-OG 3.37Å; F125-S130 WeakPolarHBondContact CZ-OG 3.49Å; Q126-S130 PolarHBondContact O-N 3.31Å; Q126-S130 PolarHBondContact O-OG 2.78Å; P127-S130 PolarHBondContact O-N 3.09Å; S130-G132 PolarHBondContact O-N 2.77Å
131V97.1Very high97.1Very high96 Ų9652.5 Ų52.558%0.58229%0.291SS*.SBendtrans-66.5-23.1176.769.10000113.1P92 Y93P92-V131 PolarHBondContact O-N 3.25Å; Y93-V131 HydrophobicContact CE1-CG1 4.18Å
132G96.4Very high97.1Very high24 Ų2451.1 Ų51.125%0.24728%0.284CS..SBendtrans179.1-178.6177.100000110.6F125 S130F125-G132 WeakPolarHBondContact CZ-O 3.29Å; S130-G132 PolarHBondContact O-N 2.77Å
133P97.2Very high97Very high55 Ų5550.2 Ų50.236%0.35728%0.279SS..  trans-60.2138.9174.6-19.932.7000111.4D135 Q136P133-D135 VanDerWaalsContact C-N 3.29Å; P133-D135 WeakPolarHBondContact CB-OD1 3.29Å; P133-Q136 HydrophobicContact CB-CB 4.18Å; P133-Q136 HydrophobicContact CB-CG 4.02Å; P133-Q136 HydrophobicContact CG-CG 4.36Å; P133-Q136 PolarHBondContact O-N 3.31Å
134D97Very high96.7Very high2 Ų250.6 Ų50.61%0.01128%0.283CS..THydrogen-bonded Turntrans-77.3-15.8179.167.2-35.4000112.9Y93 Y95 F125 Q136 P173 R174Y93-D134 HydrophobicContact CD1-CB 3.88Å; Y93-D134 HydrophobicContact CE1-CB 4.45Å; Y95-D134 PolarHBondContact OH-OD2 3.38Å; F125-D134 HydrophobicContact CD2-CB 4.22Å; F125-D134 HydrophobicContact CE2-CB 3.8Å; F125-D134 HydrophobicContact CZ-CB 4.01Å; D134-Q136 VanDerWaalsContact C-N 3.34Å; D134-P173 HydrophobicContact CB-CB 4.43Å; D134-P173 WeakPolarHBondContact O-CB 3.42Å; D134-P173 VanDerWaalsContact O-CD 3.28Å; D134-P173 WeakPolarHBondContact O-CD 3.35Å; D134-R174 HydrophobicContact CB-CB 4.28Å; D134-R174 WeakPolarHBondContact O-CB 3.36Å; D134-R174 PolarHBondContact O-N 3.32Å; D134-R174 IonicContact OD1-CZ 2.9Å; D134-R174 IonicContact OD1-NE 2.83Å; D134-R174 PolarHBondContact OD1-NE 3.13Å; D134-R174 IonicContact OD1-NH2 2.65Å; D134-R174 PolarHBondContact OD1-NH2 2.62Å; D134-R174 IonicContact OD2-CZ 2.92Å; D134-R174 IonicContact OD2-NE 3.79Å; D134-R174 PolarHBondContact OD2-NE 3.03Å; D134-R174 IonicContact OD2-NH2 3.95Å; D134-R174 PolarHBondContact OD2-NH2 2.83Å
135D97.4Very high96.3Very high84 Ų8446.4 Ų46.445%0.44927%0.267SS..THydrogen-bonded Turntrans-92.19.317563.1-8000113.4P133P133-D135 VanDerWaalsContact C-N 3.29Å; P133-D135 WeakPolarHBondContact CB-OD1 3.29Å
136Q96.4Very high95.9Very high119 Ų11944.4 Ų44.456%0.55626%0.258SS*.SBendtrans-126.7163.1178.3-64.7-176.413.400111.9P133 D134 P173P133-Q136 HydrophobicContact CB-CB 4.18Å; P133-Q136 HydrophobicContact CB-CG 4.02Å; P133-Q136 HydrophobicContact CG-CG 4.36Å; P133-Q136 PolarHBondContact O-N 3.31Å; D134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-P173 WeakPolarHBondContact O-CD 3.37Å
137G94.7Very high95.4Very high51 Ų5143.3 Ų43.353%0.52625%0.253SS..SBendtrans74.3173.3-173.200000112.3
138I97.8Very high94.9Very high106 Ų10640.1 Ų40.154%0.54423%0.234SC..  trans-132131.3-179-62.6-65.3000108.8
139V98.1Very high94.1Very high4 Ų433.9 Ų33.92%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-116.6125171.6176.60000107.5L70 N72 S170 K171 P173L70-V139 HydrophobicContact CB-CG1 4.12Å; L70-V139 HydrophobicContact CD1-CB 4.44Å; L70-V139 HydrophobicContact CD1-CG1 4.34Å; L70-V139 HydrophobicContact CD1-CG2 4.04Å; N72-V139 HydrophobicContact CB-CG1 4.12Å; V139-S170 WeakPolarHBondContact O-CA 3.44Å; V139-K171 PolarHBondContact N-O 3.22Å; V139-K171 PolarHBondContact O-N 2.95Å; V139-P173 HydrophobicContact CG2-CG 4.3Å
140T98.4Very high93.3Very high20 Ų2033.5 Ų33.512%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-88.7119.8171.6-58.70000108.8N72 L73 P76 F168 V169 S170N72-T140 PolarHBondContact OD1-N 2.89Å; L73-T140 HydrophobicContact CB-CG2 4.22Å; L73-T140 WeakPolarHBondContact CB-O 3.35Å; L73-T140 HydrophobicContact CD2-CG2 4.49Å; L73-T140 PolarHBondContact N-O 3.27Å; L73-T140 WeakPolarHBondContact O-CB 3.37Å; P76-T140 HydrophobicContact CG-CG2 4.4Å; T140-F168 HydrophobicContact CG2-CB 4.13Å; T140-V169 CarbonylContact C-O 3.09Å; T140-V169 WeakPolarHBondContact CA-O 3.45Å; T140-S170 PolarHBondContact OG1-OG 2.82Å
141S97.4Very high92.4Very high5 Ų534.6 Ų34.64%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-131.8167.3-179.3177.80000110.1F168 V169S141-F168 CarbonylContact O-C 3.52Å; S141-F168 WeakPolarHBondContact O-CA 3.18Å; S141-F168 WeakPolarHBondContact O-CB 3.38Å; S141-V169 PolarHBondContact N-O 2.98Å; S141-V169 PolarHBondContact O-N 3.16Å
142L95.3Very high91.5Very high1 Ų130.6 Ų30.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-60.4138.8169.6-166.771.9000111.2L144 V147 A167 F168 A400 I402 Y412 F421 L423L142-L144 PolarHBondContact O-N 3.19Å; L142-V147 HydrophobicContact CD1-CG2 4.28Å; L142-V147 HydrophobicContact CD2-CG2 3.25Å; L142-V147 HydrophobicContact CG-CG2 3.52Å; L142-A167 WeakPolarHBondContact CD1-O 3.47Å; L142-F168 HydrophobicContact CD1-CD1 4.17Å; L142-F168 HydrophobicContact CD1-CE1 3.92Å; L142-A400 HydrophobicContact CD2-CB 3.51Å; L142-I402 HydrophobicContact CD1-CD1 4.01Å; L142-I402 HydrophobicContact CD1-CG2 4.21Å; L142-I402 HydrophobicContact CD2-CG2 3.57Å; L142-I402 HydrophobicContact CG-CG2 4.47Å; L142-Y412 HydrophobicContact CD1-CE1 4.4Å; L142-F421 HydrophobicContact CB-CD1 4.04Å; L142-F421 HydrophobicContact CB-CE1 4.15Å; L142-F421 HydrophobicContact CD2-CB 4.21Å; L142-F421 HydrophobicContact CD2-CD1 4.38Å; L142-F421 HydrophobicContact CD2-CG 4.36Å; L142-L423 HydrophobicContact CB-CD2 3.94Å; L142-L423 HydrophobicContact CD2-CD2 4.44Å
143D94.1Very high90.5Very high8 Ų831.1 Ų31.14%0.04318%0.182CC..  trans-74.2107173.3-170.5-15.7000110.3V145 T146 V147 N166 A167 V169 Y180D143-V145 PolarHBondContact O-N 3.42Å; D143-V145 WeakPolarHBondContact OD1-CB 3.42Å; D143-V145 PolarHBondContact OD1-N 2.88Å; D143-T146 WeakPolarHBondContact O-CB 3.4Å; D143-T146 PolarHBondContact O-N 2.68Å; D143-T146 PolarHBondContact OD2-OG1 2.88Å; D143-V147 VanDerWaalsContact O-CG2 3.3Å; D143-V147 WeakPolarHBondContact O-CG2 3.35Å; D143-V147 PolarHBondContact O-N 3.06Å; D143-V147 VanDerWaalsContact O-N 3.08Å; D143-N166 WeakPolarHBondContact CB-O 3.44Å; D143-A167 PolarHBondContact N-O 3.18Å; D143-V169 HydrophobicContact CB-CG1 3.91Å; D143-Y180 PolarHBondContact OD1-OH 3.23Å
144L90.5Very high89.6Confident29 Ų2935.1 Ų35.115%0.15220%0.196CC..Hα-helixtrans-63.8-25.7-177.1-66.3-179.1000113.3L142 A148 L201 I347 L423L142-L144 PolarHBondContact O-N 3.19Å; L144-A148 PolarHBondContact O-N 3.34Å; L144-L201 HydrophobicContact CD1-CD2 4.07Å; L144-I347 HydrophobicContact CD2-CD1 4.34Å; L144-L423 HydrophobicContact CD2-CD1 3.76Å
145V89.2Confident88.4Confident7 Ų741.6 Ų41.64%0.04222%0.221CC..Hα-helixtrans-71.1-46.8177.9-178.10000109.7D143 V147 A148 I149 F165 D182 L184 M185 A199D143-V145 PolarHBondContact O-N 3.42Å; D143-V145 WeakPolarHBondContact OD1-CB 3.42Å; D143-V145 PolarHBondContact OD1-N 2.88Å; V145-V147 VanDerWaalsContact C-N 3.29Å; V145-V147 PolarHBondContact O-N 3.26Å; V145-A148 PolarHBondContact O-N 3.36Å; V145-A148 VanDerWaalsContact O-N 3.14Å; V145-I149 PolarHBondContact O-N 3.49Å; V145-F165 HydrophobicContact CG1-CE1 4.19Å; V145-D182 HydrophobicContact CG2-CB 4.15Å; V145-L184 HydrophobicContact CG1-CB 4.09Å; V145-L184 HydrophobicContact CG1-CD2 3.68Å; V145-L184 HydrophobicContact CG1-CG 4.31Å; V145-M185 HydrophobicContact CG2-CG 3.97Å; V145-M185 HydrophobicContact CG2-SD 4.48Å; V145-A199 HydrophobicContact CG2-CB 3.41Å; V145-A199 VanDerWaalsContact CG2-CB 3.41Å
146T89.7Confident87.3Confident0 Ų038.2 Ų38.20%020%0.203CC..Hα-helixtrans-58.5-40.6173.8-60.70000111.7D143 A148 I149 F165 N166 V411 Y412D143-T146 WeakPolarHBondContact O-CB 3.4Å; D143-T146 PolarHBondContact O-N 2.68Å; D143-T146 PolarHBondContact OD2-OG1 2.88Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 2.72Å; T146-I149 WeakPolarHBondContact O-CB 2.94Å; T146-I149 WeakPolarHBondContact O-CG2 3.22Å; T146-I149 PolarHBondContact O-N 2.94Å; T146-F165 HydrophobicContact CG2-CB 4.44Å; T146-N166 WeakPolarHBondContact CB-O 3.2Å; T146-N166 PolarHBondContact OG1-O 2.8Å; T146-V411 HydrophobicContact CG2-CB 4.47Å; T146-V411 HydrophobicContact CG2-CG1 3.61Å; T146-Y412 HydrophobicContact CG2-CE1 4.27Å
147V88.2Confident86.1Confident8 Ų836.1 Ų36.15%0.04819%0.192CC..Hα-helixtrans-62.3-35.1177.9173.20000112.5L142 D143 V145 V345 P346 A400 I402L142-V147 HydrophobicContact CD1-CG2 4.28Å; L142-V147 HydrophobicContact CD2-CG2 3.25Å; L142-V147 HydrophobicContact CG-CG2 3.52Å; D143-V147 VanDerWaalsContact O-CG2 3.3Å; D143-V147 WeakPolarHBondContact O-CG2 3.35Å; D143-V147 PolarHBondContact O-N 3.06Å; D143-V147 VanDerWaalsContact O-N 3.08Å; V145-V147 VanDerWaalsContact C-N 3.29Å; V145-V147 PolarHBondContact O-N 3.26Å; V147-V345 HydrophobicContact CG1-CG1 4.36Å; V147-P346 HydrophobicContact CG1-CG 3.43Å; V147-P346 VanDerWaalsContact CG1-CG 3.43Å; V147-A400 HydrophobicContact CG1-CB 4.22Å; V147-I402 HydrophobicContact CG2-CG2 4.05Å
148A85.7Confident85.1Confident11 Ų1138.7 Ų38.79%0.09119%0.192CC..Hα-helixtrans-79.3-16.2-178.100000113.7L144 V145 T146 N150 N151 L152 I343 V345L144-A148 PolarHBondContact O-N 3.34Å; V145-A148 PolarHBondContact O-N 3.36Å; V145-A148 VanDerWaalsContact O-N 3.14Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 2.72Å; A148-N150 PolarHBondContact O-N 2.91Å; A148-N151 CarbonylContact O-C 3.6Å; A148-N151 WeakPolarHBondContact O-CA 3.26Å; A148-N151 WeakPolarHBondContact O-CB 3.47Å; A148-N151 PolarHBondContact O-N 2.59Å; A148-L152 PolarHBondContact O-N 3.46Å; A148-I343 HydrophobicContact CB-CG2 4.14Å; A148-V345 HydrophobicContact CB-CG1 4.3Å; A148-V345 HydrophobicContact CB-CG2 4.03Å
149I81.4Confident83.9Confident5 Ų533.9 Ų33.93%0.02617%0.168CC..G310 helixtrans-59.3-41.1-165.3-159.6171.5000114.3V145 T146 N151 L152 F160 F165 L408V145-I149 PolarHBondContact O-N 3.49Å; T146-I149 WeakPolarHBondContact O-CB 2.94Å; T146-I149 WeakPolarHBondContact O-CG2 3.22Å; T146-I149 PolarHBondContact O-N 2.94Å; I149-N151 PolarHBondContact O-N 2.98Å; I149-N151 VanDerWaalsContact O-N 3.15Å; I149-L152 HydrophobicContact CB-CD1 4.47Å; I149-L152 HydrophobicContact CG1-CD1 4.02Å; I149-L152 WeakPolarHBondContact O-CB 3.28Å; I149-L152 PolarHBondContact O-N 2.85Å; I149-L152 VanDerWaalsContact O-N 3.09Å; I149-F160 HydrophobicContact CD1-CD2 3.29Å; I149-F160 HydrophobicContact CD1-CE2 3.63Å; I149-F160 HydrophobicContact CD1-CG 4.29Å; I149-F160 HydrophobicContact CG1-CD2 4.16Å; I149-F165 HydrophobicContact CD1-CD1 3.78Å; I149-F165 HydrophobicContact CD1-CD2 3.79Å; I149-F165 HydrophobicContact CD1-CE1 3.5Å; I149-F165 HydrophobicContact CD1-CE2 3.55Å; I149-F165 HydrophobicContact CD1-CG 3.91Å; I149-F165 HydrophobicContact CD1-CZ 3.38Å; I149-F165 HydrophobicContact CG1-CE1 4.34Å; I149-F165 HydrophobicContact CG1-CZ 4.34Å; I149-L408 HydrophobicContact CG2-CD1 4.09Å; I149-L408 HydrophobicContact CG2-CD2 3.44Å; I149-L408 VanDerWaalsContact CG2-CD2 3.44Å; I149-L408 HydrophobicContact CG2-CG 4.28Å
150N78.8Confident82.5Confident49 Ų4937 Ų3726%0.26218%0.181SC..G310 helixtrans-66.7-17.1178.7-79.9-27.3000112.7A148 S407 L408A148-N150 PolarHBondContact O-N 2.91Å; N150-S407 PolarHBondContact ND2-OG 2.9Å; N150-S407 PolarHBondContact OD1-OG 2.86Å; N150-L408 WeakPolarHBondContact ND2-CD1 3.28Å
151N80.5Confident81.3Confident42 Ų4244.8 Ų44.823%0.22521%0.214CC..G310 helixtrans-104.94.4179.3-58.6-74.5000112.4A148 I149 K322 A344A148-N151 CarbonylContact O-C 3.6Å; A148-N151 WeakPolarHBondContact O-CA 3.26Å; A148-N151 WeakPolarHBondContact O-CB 3.47Å; A148-N151 PolarHBondContact O-N 2.59Å; I149-N151 PolarHBondContact O-N 2.98Å; I149-N151 VanDerWaalsContact O-N 3.15Å; N151-K322 PolarHBondContact OD1-O 3.19Å; N151-A344 WeakPolarHBondContact CB-O 3.31Å; N151-A344 PolarHBondContact ND2-O 3.1Å
152L77.9Confident80.4Confident13 Ų1350.3 Ų50.37%0.06824%0.242CC..SBendtrans-69.1145.2171.4-68176000110.3A148 I149 L156 K157 L184 I343A148-L152 PolarHBondContact O-N 3.46Å; I149-L152 HydrophobicContact CB-CD1 4.47Å; I149-L152 HydrophobicContact CG1-CD1 4.02Å; I149-L152 WeakPolarHBondContact O-CB 3.28Å; I149-L152 PolarHBondContact O-N 2.85Å; I149-L152 VanDerWaalsContact O-N 3.09Å; L152-L156 HydrophobicContact CB-CB 4.18Å; L152-L156 HydrophobicContact CD1-CB 4.45Å; L152-L156 HydrophobicContact CD2-CD1 4.33Å; L152-K157 WeakPolarHBondContact O-CE 3.23Å; L152-L184 HydrophobicContact CD1-CD2 3.94Å; L152-I343 HydrophobicContact CD2-CD1 3.56Å; L152-I343 HydrophobicContact CD2-CG1 3.98Å; L152-I343 HydrophobicContact CD2-CG2 4.09Å
153P75.7Confident79.8Confident35 Ų3554 Ų5423%0.22726%0.257CS..  trans-52.9146.6169.3-25.534.2000112.2Y155 L156 K157P153-Y155 HydrophobicContact CB-CD1 3.56Å; P153-Y155 HydrophobicContact CB-CE1 3.17Å; P153-Y155 HydrophobicContact CB-CG 4.48Å; P153-Y155 HydrophobicContact CG-CE1 3.86Å; P153-Y155 PolarHBondContact O-N 3.39Å; P153-L156 WeakPolarHBondContact O-CA 3.45Å; P153-L156 PolarHBondContact O-N 2.58Å; P153-K157 PolarHBondContact O-N 3.07Å
154E76.5Confident79.2Confident139 Ų13959.8 Ų59.865%0.6529%0.293SS*.G310 helixtrans-50.7-39.2-175.3-13767.1-156.600113.7L156 K157E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.36Å; E154-K157 HydrophobicContact CG-CD 4.44Å; E154-K157 WeakPolarHBondContact O-CB 3.35Å; E154-K157 PolarHBondContact O-N 2.94Å; E154-K157 VanDerWaalsContact O-N 3.08Å; E154-K157 WeakPolarHBondContact OE1-CD 3.49Å; E154-K157 IonicContact OE1-NZ 2.67Å; E154-K157 PolarHBondContact OE1-NZ 3.09Å; E154-K157 VanDerWaalsContact OE2-CE 3.3Å; E154-K157 WeakPolarHBondContact OE2-CE 3.29Å; E154-K157 IonicContact OE2-NZ 3.16Å; E154-K157 PolarHBondContact OE2-NZ 2.9Å
155Y73.6Confident79Confident138 Ų13859.5 Ų59.554%0.54129%0.29SS..G310 helixtrans-67-25179.568.8-92.5000113.5P153 I158 T193P153-Y155 HydrophobicContact CB-CD1 3.56Å; P153-Y155 HydrophobicContact CB-CE1 3.17Å; P153-Y155 HydrophobicContact CB-CG 4.48Å; P153-Y155 HydrophobicContact CG-CE1 3.86Å; P153-Y155 PolarHBondContact O-N 3.39Å; Y155-I158 WeakPolarHBondContact O-CG2 3.49Å; Y155-T193 VanDerWaalsContact OH-CG2 3.27Å; Y155-T193 WeakPolarHBondContact OH-CG2 3.37Å; Y155-T193 PolarHBondContact OH-OG1 3.48Å
156L72.9Confident79.2Confident13 Ų1363.5 Ų63.57%0.06831%0.311CS..G310 helixtrans-87.6-12.8173.2-70.3-174.2000112.7L152 P153 E154 I158 A159 T193L152-L156 HydrophobicContact CB-CB 4.18Å; L152-L156 HydrophobicContact CD1-CB 4.45Å; L152-L156 HydrophobicContact CD2-CD1 4.33Å; P153-L156 WeakPolarHBondContact O-CA 3.45Å; P153-L156 PolarHBondContact O-N 2.58Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.36Å; L156-I158 PolarHBondContact O-N 3.39Å; L156-I158 VanDerWaalsContact O-N 3.15Å; L156-A159 WeakPolarHBondContact O-CB 3.44Å; L156-A159 PolarHBondContact O-N 3.31Å; L156-T193 HydrophobicContact CD1-CG2 3.67Å
157K71.6Confident79.4Confident75 Ų7563.8 Ų63.833%0.32631%0.314SS..THydrogen-bonded Turntrans-64.4-18.8177.7-66-176.4-178.2170.70112.8L152 P153 E154 A159 F160L152-K157 WeakPolarHBondContact O-CE 3.23Å; P153-K157 PolarHBondContact O-N 3.07Å; E154-K157 HydrophobicContact CG-CD 4.44Å; E154-K157 WeakPolarHBondContact O-CB 3.35Å; E154-K157 PolarHBondContact O-N 2.94Å; E154-K157 VanDerWaalsContact O-N 3.08Å; E154-K157 WeakPolarHBondContact OE1-CD 3.49Å; E154-K157 IonicContact OE1-NZ 2.67Å; E154-K157 PolarHBondContact OE1-NZ 3.09Å; E154-K157 VanDerWaalsContact OE2-CE 3.3Å; E154-K157 WeakPolarHBondContact OE2-CE 3.29Å; E154-K157 IonicContact OE2-NZ 3.16Å; E154-K157 PolarHBondContact OE2-NZ 2.9Å; K157-A159 PolarHBondContact O-N 3.01Å; K157-A159 VanDerWaalsContact O-N 3.13Å; K157-F160 VanDerWaalsContact O-CB 3.26Å; K157-F160 WeakPolarHBondContact O-CB 3.4Å; K157-F160 PolarHBondContact O-N 3.13Å
158I74.8Confident79.8Confident104 Ų10464.6 Ų64.653%0.53332%0.317SS..THydrogen-bonded Turntrans-58.4-22.3169.2-162.5167.6000112.4Y155 L156 F160 F161 L162Y155-I158 WeakPolarHBondContact O-CG2 3.49Å; L156-I158 PolarHBondContact O-N 3.39Å; L156-I158 VanDerWaalsContact O-N 3.15Å; I158-F160 PolarHBondContact O-N 3.45Å; I158-F160 VanDerWaalsContact O-N 3.12Å; I158-F161 PolarHBondContact O-N 2.83Å; I158-L162 PolarHBondContact O-N 2.84Å
159A71Confident80.3Confident5 Ų564.9 Ų64.94%0.04132%0.317CS..Hα-helixtrans-53.2-30.2171.800000112.7L156 K157 F161 L162 Y163 F165 L184L156-A159 WeakPolarHBondContact O-CB 3.44Å; L156-A159 PolarHBondContact O-N 3.31Å; K157-A159 PolarHBondContact O-N 3.01Å; K157-A159 VanDerWaalsContact O-N 3.13Å; A159-F161 PolarHBondContact O-N 3.13Å; A159-L162 PolarHBondContact O-N 2.96Å; A159-Y163 HydrophobicContact CB-CD2 3.91Å; A159-Y163 HydrophobicContact CB-CE2 4.37Å; A159-Y163 WeakPolarHBondContact O-CD2 3.49Å; A159-Y163 PolarHBondContact O-N 3.25Å; A159-F165 HydrophobicContact CB-CZ 4.42Å; A159-L184 HydrophobicContact CB-CD1 3.45Å; A159-L184 VanDerWaalsContact CB-CD1 3.45Å; A159-L184 HydrophobicContact CB-CD2 4.32Å
160F68.5Low81.1Confident69 Ų6967.9 Ų67.930%0.30334%0.339SS..Hα-helixtrans-55.9-33.1175.5-146.9-77000112.8I149 K157 I158 S407 L408 V411I149-F160 HydrophobicContact CD1-CD2 3.29Å; I149-F160 HydrophobicContact CD1-CE2 3.63Å; I149-F160 HydrophobicContact CD1-CG 4.29Å; I149-F160 HydrophobicContact CG1-CD2 4.16Å; K157-F160 VanDerWaalsContact O-CB 3.26Å; K157-F160 WeakPolarHBondContact O-CB 3.4Å; K157-F160 PolarHBondContact O-N 3.13Å; I158-F160 PolarHBondContact O-N 3.45Å; I158-F160 VanDerWaalsContact O-N 3.12Å; F160-S407 WeakPolarHBondContact CE2-O 3.41Å; F160-S407 WeakPolarHBondContact CZ-O 3.38Å; F160-L408 HydrophobicContact CE2-CD2 3.75Å; F160-L408 HydrophobicContact CZ-CD2 4.2Å; F160-V411 HydrophobicContact CZ-CG2 4.48Å
161F73.7Confident82Confident184 Ų18468.6 Ų68.681%0.80734%0.34SS*.Hα-helixtrans-89.3-18.7179.4-63.4-74.6000113.3I158 A159I158-F161 PolarHBondContact O-N 2.83Å; A159-F161 PolarHBondContact O-N 3.13Å
162L79.3Confident82.8Confident121 Ų12167.8 Ų67.863%0.63434%0.336SS*.Hα-helixtrans-99.2-26.4-174.6-63.5177.4000113I158 A159I158-L162 PolarHBondContact O-N 2.84Å; A159-L162 PolarHBondContact O-N 2.96Å
163Y82.1Confident83.8Confident79 Ų7967.1 Ų67.131%0.3133%0.333SS..SBendtrans-124.1146.5-173.9-60.9-82.2000111.1A159 F165 P183 L184A159-Y163 HydrophobicContact CB-CD2 3.91Å; A159-Y163 HydrophobicContact CB-CE2 4.37Å; A159-Y163 WeakPolarHBondContact O-CD2 3.49Å; A159-Y163 PolarHBondContact O-N 3.25Å; Y163-F165 WeakPolarHBondContact O-CD2 3.01Å; Y163-F165 WeakPolarHBondContact O-CE2 3.41Å; Y163-P183 HydrophobicContact CD1-CB 3.77Å; Y163-P183 HydrophobicContact CE1-CB 3.61Å; Y163-L184 HydrophobicContact CD2-CD1 4.19Å; Y163-L184 HydrophobicContact CE2-CD1 4.17Å
164T82.3Confident84.8Confident129 Ų12970.5 Ų70.579%0.79134%0.341SS*.  trans-86.4129.1171-50.90000109.1
165F86.7Confident85.8Confident23 Ų2366.7 Ų66.710%0.10132%0.323CS..  trans-106138.4177.7-66.8-86.3000110.1V145 T146 I149 A159 Y163 L184 V411V145-F165 HydrophobicContact CG1-CE1 4.19Å; T146-F165 HydrophobicContact CG2-CB 4.44Å; I149-F165 HydrophobicContact CD1-CD1 3.78Å; I149-F165 HydrophobicContact CD1-CD2 3.79Å; I149-F165 HydrophobicContact CD1-CE1 3.5Å; I149-F165 HydrophobicContact CD1-CE2 3.55Å; I149-F165 HydrophobicContact CD1-CG 3.91Å; I149-F165 HydrophobicContact CD1-CZ 3.38Å; I149-F165 HydrophobicContact CG1-CE1 4.34Å; I149-F165 HydrophobicContact CG1-CZ 4.34Å; A159-F165 HydrophobicContact CB-CZ 4.42Å; Y163-F165 WeakPolarHBondContact O-CD2 3.01Å; Y163-F165 WeakPolarHBondContact O-CE2 3.41Å; F165-L184 HydrophobicContact CE1-CD2 3.71Å; F165-L184 HydrophobicContact CZ-CD2 3.82Å; F165-V411 HydrophobicContact CB-CG2 4Å
166N92Very high86.9Confident91 Ų9160.4 Ų60.449%0.48730%0.299SS..  trans-109.7149.2174-62.6-60.5000109.5D143 T146 F168D143-N166 WeakPolarHBondContact CB-O 3.44Å; T146-N166 WeakPolarHBondContact CB-O 3.2Å; T146-N166 PolarHBondContact OG1-O 2.8Å; N166-F168 VanDerWaalsContact C-N 3.35Å; N166-F168 WeakPolarHBondContact CB-O 3.36Å
167A93.7Very high88.1Confident6 Ų659.8 Ų59.85%0.0530%0.296CS..SBendtrans-69.8-37.8172.300000111.5L80 L142 D143 V411 Y412L80-A167 HydrophobicContact CD2-CB 3.71Å; L142-A167 WeakPolarHBondContact CD1-O 3.47Å; D143-A167 PolarHBondContact N-O 3.18Å; A167-V411 HydrophobicContact CB-CG1 4.08Å; A167-Y412 HydrophobicContact CB-CD1 3.75Å; A167-Y412 HydrophobicContact CB-CE1 3.91Å
168F96.5Very high89.2Confident26 Ų2658.1 Ų58.111%0.11429%0.287CS..EExtended strand (participates in β ladder)trans-130.6152.3-173.8-51.2-63.1000111.1L73 P76 V79 L80 T140 S141 L142 N166 M415 F421L73-F168 HydrophobicContact CD2-CD1 3.58Å; L73-F168 HydrophobicContact CD2-CD2 4.06Å; L73-F168 HydrophobicContact CD2-CE1 3.46Å; L73-F168 VanDerWaalsContact CD2-CE1 3.46Å; L73-F168 HydrophobicContact CD2-CE2 3.91Å; L73-F168 HydrophobicContact CD2-CG 3.9Å; L73-F168 HydrophobicContact CD2-CZ 3.63Å; P76-F168 HydrophobicContact CB-CD2 3.5Å; P76-F168 VanDerWaalsContact CB-CD2 3.5Å; P76-F168 HydrophobicContact CB-CE2 3.85Å; P76-F168 HydrophobicContact CB-CG 4.22Å; V79-F168 HydrophobicContact CB-CZ 4.29Å; V79-F168 HydrophobicContact CG1-CZ 3.98Å; L80-F168 HydrophobicContact CD1-CE2 4.31Å; L80-F168 HydrophobicContact CD2-CE2 3.85Å; L80-F168 HydrophobicContact CD2-CZ 4.42Å; L80-F168 HydrophobicContact CG-CE2 3.85Å; T140-F168 HydrophobicContact CG2-CB 4.13Å; S141-F168 CarbonylContact O-C 3.52Å; S141-F168 WeakPolarHBondContact O-CA 3.18Å; S141-F168 WeakPolarHBondContact O-CB 3.38Å; L142-F168 HydrophobicContact CD1-CD1 4.17Å; L142-F168 HydrophobicContact CD1-CE1 3.92Å; N166-F168 VanDerWaalsContact C-N 3.35Å; N166-F168 WeakPolarHBondContact CB-O 3.36Å; F168-M415 HydrophobicContact CZ-CE 3.92Å; F168-F421 HydrophobicContact CD1-CZ 4.5Å; F168-F421 HydrophobicContact CE1-CE2 4.11Å; F168-F421 AromaticContact CE1-CZ 3.79Å; F168-F421 HydrophobicContact CE1-CZ 3.79Å
169V96.5Very high90.2Very high16 Ų1653.2 Ų53.210%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-124.8142.1172.3-67.80000109.6T140 S141 D143 K171 I176 Y180T140-V169 CarbonylContact C-O 3.09Å; T140-V169 WeakPolarHBondContact CA-O 3.45Å; S141-V169 PolarHBondContact N-O 2.98Å; S141-V169 PolarHBondContact O-N 3.16Å; D143-V169 HydrophobicContact CB-CG1 3.91Å; V169-K171 HydrophobicContact CB-CG 4.27Å; V169-K171 HydrophobicContact CG2-CG 4.42Å; V169-I176 HydrophobicContact CG2-CD1 4.11Å; V169-Y180 HydrophobicContact CG2-CE1 4.31Å
170S97.7Very high91.3Very high68 Ų6853.5 Ų53.548%0.47626%0.262SS..EExtended strand (participates in β ladder)trans-113109.3174.6-59.30000108.8V139 T140V139-S170 WeakPolarHBondContact O-CA 3.44Å; T140-S170 PolarHBondContact OG1-OG 2.82Å
171K97.8Very high92.5Very high65 Ų6557.1 Ų57.128%0.28328%0.28SS..EExtended strand (participates in β ladder)trans-140.7166.4-170.9-62.6-66.8-175.2175.50111.2V139 V169 E175 I176 Y180V139-K171 PolarHBondContact N-O 3.22Å; V139-K171 PolarHBondContact O-N 2.95Å; V169-K171 HydrophobicContact CB-CG 4.27Å; V169-K171 HydrophobicContact CG2-CG 4.42Å; K171-E175 HydrophobicContact CB-CB 3.85Å; K171-I176 HydrophobicContact CB-CD1 3.77Å; K171-I176 HydrophobicContact CB-CG1 4Å; K171-I176 HydrophobicContact CG-CD1 4.26Å; K171-Y180 HydrophobicContact CG-CD1 4.33Å
172T98.3Very high93.2Very high24 Ų2449.4 Ų49.415%0.14725%0.247CC..  trans-65.3155.6172.661.10000111R174 E175 I176T172-R174 PolarHBondContact O-N 2.87Å; T172-E175 WeakPolarHBondContact CB-OE2 3.28Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.36Å; T172-E175 PolarHBondContact N-OE2 2.88Å; T172-E175 PolarHBondContact O-N 2.86Å; T172-E175 VanDerWaalsContact O-N 3.11Å; T172-E175 WeakPolarHBondContact OG1-CB 3.47Å; T172-E175 WeakPolarHBondContact OG1-CG 3.12Å; T172-E175 PolarHBondContact OG1-N 2.93Å; T172-E175 PolarHBondContact OG1-OE2 3.17Å; T172-I176 PolarHBondContact O-N 2.96Å
173P98.1Very high93.6Very high0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-51-43.7173.8-25.932.1000113.1L70 Y93 D134 Q136 V139 E175 I176 I177L70-P173 HydrophobicContact CD1-CB 3.8Å; L70-P173 HydrophobicContact CD1-CG 4.5Å; Y93-P173 HydrophobicContact CD1-CB 4.2Å; Y93-P173 HydrophobicContact CD2-CB 4.09Å; Y93-P173 HydrophobicContact CE1-CB 3.82Å; Y93-P173 HydrophobicContact CE1-CG 3.68Å; Y93-P173 HydrophobicContact CE2-CB 3.7Å; Y93-P173 HydrophobicContact CE2-CG 3.83Å; Y93-P173 HydrophobicContact CG-CB 4.33Å; Y93-P173 WeakPolarHBondContact OH-CG 3.38Å; D134-P173 HydrophobicContact CB-CB 4.43Å; D134-P173 WeakPolarHBondContact O-CB 3.42Å; D134-P173 VanDerWaalsContact O-CD 3.28Å; D134-P173 WeakPolarHBondContact O-CD 3.35Å; Q136-P173 WeakPolarHBondContact O-CD 3.37Å; V139-P173 HydrophobicContact CG2-CG 4.3Å; P173-E175 PolarHBondContact O-N 2.85Å; P173-I176 PolarHBondContact O-N 2.81Å; P173-I177 HydrophobicContact CB-CD1 4.44Å; P173-I177 WeakPolarHBondContact O-CB 3.2Å; P173-I177 VanDerWaalsContact O-CD1 3.3Å; P173-I177 WeakPolarHBondContact O-CD1 3.34Å; P173-I177 WeakPolarHBondContact O-CG1 3.29Å; P173-I177 PolarHBondContact O-N 3.1Å
174R97.7Very high93.8Very high105 Ų10544.2 Ų44.240%0.39623%0.23SC..Hα-helixtrans-59.3-44.2177.6176.9173.4-69.9-157.911.2112D134 T172 I177 W178D134-R174 HydrophobicContact CB-CB 4.28Å; D134-R174 WeakPolarHBondContact O-CB 3.36Å; D134-R174 PolarHBondContact O-N 3.32Å; D134-R174 IonicContact OD1-CZ 2.9Å; D134-R174 IonicContact OD1-NE 2.83Å; D134-R174 PolarHBondContact OD1-NE 3.13Å; D134-R174 IonicContact OD1-NH2 2.65Å; D134-R174 PolarHBondContact OD1-NH2 2.62Å; D134-R174 IonicContact OD2-CZ 2.92Å; D134-R174 IonicContact OD2-NE 3.79Å; D134-R174 PolarHBondContact OD2-NE 3.03Å; D134-R174 IonicContact OD2-NH2 3.95Å; D134-R174 PolarHBondContact OD2-NH2 2.83Å; T172-R174 PolarHBondContact O-N 2.87Å; R174-I177 PolarHBondContact O-N 3.27Å; R174-W178 WeakPolarHBondContact O-CB 3.39Å; R174-W178 PolarHBondContact O-N 2.74Å
175E97.6Very high94Very high60 Ų6039.5 Ų39.528%0.2820%0.199SC..Hα-helixtrans-66.7-42.7177.2-76.5171.2123.300111.9K171 T172 P173 I177 G179K171-E175 HydrophobicContact CB-CB 3.85Å; T172-E175 WeakPolarHBondContact CB-OE2 3.28Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.36Å; T172-E175 PolarHBondContact N-OE2 2.88Å; T172-E175 PolarHBondContact O-N 2.86Å; T172-E175 VanDerWaalsContact O-N 3.11Å; T172-E175 WeakPolarHBondContact OG1-CB 3.47Å; T172-E175 WeakPolarHBondContact OG1-CG 3.12Å; T172-E175 PolarHBondContact OG1-N 2.93Å; T172-E175 PolarHBondContact OG1-OE2 3.17Å; P173-E175 PolarHBondContact O-N 2.85Å; E175-I177 VanDerWaalsContact C-N 3.34Å; E175-I177 PolarHBondContact O-N 2.88Å; E175-G179 CarbonylContact O-C 3.48Å; E175-G179 WeakPolarHBondContact O-CA 3.42Å; E175-G179 PolarHBondContact O-N 3.02Å
176I97.2Very high94.1Very high6 Ų640.5 Ų40.53%0.03121%0.209CC..Hα-helixtrans-63-42176-64.8-60.6000111.2L70 V169 K171 T172 P173 G200 L201L70-I176 HydrophobicContact CD1-CB 4.38Å; L70-I176 HydrophobicContact CD1-CG2 4.33Å; L70-I176 HydrophobicContact CD2-CG2 4.2Å; V169-I176 HydrophobicContact CG2-CD1 4.11Å; K171-I176 HydrophobicContact CB-CD1 3.77Å; K171-I176 HydrophobicContact CB-CG1 4Å; K171-I176 HydrophobicContact CG-CD1 4.26Å; T172-I176 PolarHBondContact O-N 2.96Å; P173-I176 PolarHBondContact O-N 2.81Å; I176-G200 WeakPolarHBondContact O-CA 3.28Å; I176-L201 HydrophobicContact CG2-CD1 3.91Å; I176-L201 HydrophobicContact CG2-CG 4.32Å; I176-L201 PolarHBondContact O-N 3.33Å
177I96.8Very high93.8Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-75.4-60.4-176.4-64.7160.8000111I68 L70 P173 R174 E175 L201 M202I68-I177 HydrophobicContact CB-CD1 4.27Å; I68-I177 HydrophobicContact CD1-CD1 3.94Å; I68-I177 HydrophobicContact CD1-CG1 4.21Å; I68-I177 HydrophobicContact CD1-CG2 3.61Å; I68-I177 HydrophobicContact CG2-CD1 4.03Å; I68-I177 HydrophobicContact CG2-CG1 4.17Å; L70-I177 HydrophobicContact CD1-CD1 4.31Å; L70-I177 HydrophobicContact CD1-CG1 4.37Å; L70-I177 HydrophobicContact CD2-CD1 4.4Å; L70-I177 HydrophobicContact CD2-CG1 3.99Å; P173-I177 HydrophobicContact CB-CD1 4.44Å; P173-I177 WeakPolarHBondContact O-CB 3.2Å; P173-I177 VanDerWaalsContact O-CD1 3.3Å; P173-I177 WeakPolarHBondContact O-CD1 3.34Å; P173-I177 WeakPolarHBondContact O-CG1 3.29Å; P173-I177 PolarHBondContact O-N 3.1Å; R174-I177 PolarHBondContact O-N 3.27Å; E175-I177 VanDerWaalsContact C-N 3.34Å; E175-I177 PolarHBondContact O-N 2.88Å; I177-L201 PolarHBondContact O-N 3.13Å; I177-M202 HydrophobicContact CG2-CB 4.3Å; I177-M202 HydrophobicContact CG2-CG 4.26Å; I177-M202 WeakPolarHBondContact O-CA 3.06Å; I177-M202 WeakPolarHBondContact O-CB 3.23Å; I177-M202 PolarHBondContact O-N 3.45Å
178W95.9Very high93.2Very high40 Ų4036.8 Ų36.815%0.15219%0.191CC..Hα-helixtrans-94.5-11.9-169.6-56.4110.2000113.7Y95 Y123 R174 M202 V203 N206Y95-W178 AromaticContact CD1-CZ2 3.84Å; Y95-W178 HydrophobicContact CD1-CZ2 3.84Å; Y95-W178 HydrophobicContact CD2-CZ2 4.38Å; Y95-W178 AromaticContact CE1-CE2 3.78Å; Y95-W178 AromaticContact CE1-CZ2 3.62Å; Y95-W178 HydrophobicContact CE1-CZ2 3.62Å; Y95-W178 AromaticContact CE1-NE1 3.39Å; Y95-W178 HydrophobicContact CE2-CZ2 4.21Å; Y95-W178 HydrophobicContact CG-CZ2 4.22Å; Y95-W178 AromaticContact CZ-CE2 3.88Å; Y95-W178 AromaticContact CZ-CZ2 3.83Å; Y95-W178 AromaticContact CZ-NE1 3.3Å; Y95-W178 VanDerWaalsContact CZ-NE1 3.3Å; Y95-W178 PolarHBondContact OH-NE1 2.9Å; Y123-W178 AromaticContact CD1-CH2 3.89Å; Y123-W178 HydrophobicContact CD1-CH2 3.89Å; Y123-W178 AromaticContact CD2-CH2 3.57Å; Y123-W178 HydrophobicContact CD2-CH2 3.57Å; Y123-W178 AromaticContact CD2-CZ3 3.94Å; Y123-W178 HydrophobicContact CD2-CZ3 3.94Å; Y123-W178 HydrophobicContact CE1-CH2 4.45Å; Y123-W178 HydrophobicContact CE2-CH2 4.19Å; Y123-W178 HydrophobicContact CE2-CZ3 4.37Å; Y123-W178 AromaticContact CG-CH2 3.4Å; Y123-W178 HydrophobicContact CG-CH2 3.4Å; Y123-W178 HydrophobicContact CG-CZ2 4.1Å; Y123-W178 HydrophobicContact CG-CZ3 4.24Å; R174-W178 WeakPolarHBondContact O-CB 3.39Å; R174-W178 PolarHBondContact O-N 2.74Å; W178-M202 HydrophobicContact CE3-CB 3.86Å; W178-M202 HydrophobicContact CH2-CB 4.48Å; W178-M202 HydrophobicContact CZ3-CB 3.68Å; W178-V203 WeakPolarHBondContact O-CG2 3.41Å; W178-N206 HydrophobicContact CE3-CB 3.88Å; W178-N206 HydrophobicContact CH2-CB 4.44Å; W178-N206 HydrophobicContact CZ3-CB 3.75Å
179G94.8Very high92.8Very high0 Ų038.9 Ų38.90%020%0.202CC..  trans112154.5168.900000114.3E175 R198 A199E175-G179 CarbonylContact O-C 3.48Å; E175-G179 WeakPolarHBondContact O-CA 3.42Å; E175-G179 PolarHBondContact O-N 3.02Å; G179-R198 PolarHBondContact O-NE 3.38Å; G179-R198 PolarHBondContact O-NH2 3.31Å; G179-A199 CarbonylContact C-O 3.51Å; G179-A199 WeakPolarHBondContact CA-O 3.45Å
180Y94.6Very high92.4Very high12 Ų1243.1 Ų43.15%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-119.1154.6172.455.4-86.5000109.8D143 V169 K171 D182 R198 A199D143-Y180 PolarHBondContact OD1-OH 3.23Å; V169-Y180 HydrophobicContact CG2-CE1 4.31Å; K171-Y180 HydrophobicContact CG-CD1 4.33Å; Y180-D182 HydrophobicContact CE2-CB 4.4Å; Y180-R198 CarbonylContact O-C 3.55Å; Y180-R198 WeakPolarHBondContact O-CA 3.35Å; Y180-R198 WeakPolarHBondContact O-CB 3.28Å; Y180-A199 WeakPolarHBondContact CD1-O 3.13Å; Y180-A199 HydrophobicContact CE1-CB 4.34Å; Y180-A199 WeakPolarHBondContact CE1-O 3.27Å; Y180-A199 HydrophobicContact CE2-CB 4.19Å; Y180-A199 PolarHBondContact N-O 3.27Å; Y180-A199 PolarHBondContact O-N 3Å
181E92.5Very high91.7Very high145 Ų14548.4 Ų48.468%0.67824%0.244SC*.EExtended strand (participates in β ladder)trans-66.4134.7173.8-70.2177.5-169.900110.1
182D89.7Confident91Very high22 Ų2247.6 Ų47.612%0.11825%0.253CS..  trans-131135.4176.6174.1-93.3000110.3V145 Y180 L184 M185 S186 D197V145-D182 HydrophobicContact CG2-CB 4.15Å; Y180-D182 HydrophobicContact CE2-CB 4.4Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.1Å; D182-L184 WeakPolarHBondContact OD1-CA 3.42Å; D182-L184 VanDerWaalsContact OD1-CB 3.28Å; D182-L184 WeakPolarHBondContact OD1-CB 3.3Å; D182-L184 PolarHBondContact OD1-N 3.26Å; D182-M185 HydrophobicContact CB-CB 4.01Å; D182-M185 HydrophobicContact CB-CG 3.88Å; D182-M185 PolarHBondContact O-N 3.05Å; D182-M185 PolarHBondContact OD1-N 3.13Å; D182-S186 PolarHBondContact O-N 2.66Å; D182-S186 PolarHBondContact O-OG 3.4Å; D182-D197 PolarHBondContact N-O 3.36Å
183P88Confident90.1Very high80 Ų8046.9 Ų46.952%0.51925%0.249SC..Hα-helixtrans-59.7-38.9-178.6-26.535.6000114.1Y163 S186 A187Y163-P183 HydrophobicContact CD1-CB 3.77Å; Y163-P183 HydrophobicContact CE1-CB 3.61Å; P183-S186 PolarHBondContact O-N 2.93Å; P183-A187 PolarHBondContact O-N 2.77Å; P183-A187 VanDerWaalsContact O-N 3.09Å
184L85.3Confident89.4Confident11 Ų1147.1 Ų47.16%0.05825%0.251CS..Hα-helixtrans-70.5-41.1178.3177.960.5000110.8V145 L152 A159 Y163 F165 D182 S186 A187 C188V145-L184 HydrophobicContact CG1-CB 4.09Å; V145-L184 HydrophobicContact CG1-CD2 3.68Å; V145-L184 HydrophobicContact CG1-CG 4.31Å; L152-L184 HydrophobicContact CD1-CD2 3.94Å; A159-L184 HydrophobicContact CB-CD1 3.45Å; A159-L184 VanDerWaalsContact CB-CD1 3.45Å; A159-L184 HydrophobicContact CB-CD2 4.32Å; Y163-L184 HydrophobicContact CD2-CD1 4.19Å; Y163-L184 HydrophobicContact CE2-CD1 4.17Å; F165-L184 HydrophobicContact CE1-CD2 3.71Å; F165-L184 HydrophobicContact CZ-CD2 3.82Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.1Å; D182-L184 WeakPolarHBondContact OD1-CA 3.42Å; D182-L184 VanDerWaalsContact OD1-CB 3.28Å; D182-L184 WeakPolarHBondContact OD1-CB 3.3Å; D182-L184 PolarHBondContact OD1-N 3.26Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.07Å; L184-A187 PolarHBondContact O-N 3.41Å; L184-C188 VanDerWaalsContact O-CB 3.3Å; L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.06Å
185M87.6Confident88.7Confident30 Ų3047.1 Ų47.115%0.14826%0.258CS..Hα-helixtrans-61.9-39.4175.8-67.6-57.9-55.700111.5V145 D182 A187 C188 L189 C194 T196 D197 A199V145-M185 HydrophobicContact CG2-CG 3.97Å; V145-M185 HydrophobicContact CG2-SD 4.48Å; D182-M185 HydrophobicContact CB-CB 4.01Å; D182-M185 HydrophobicContact CB-CG 3.88Å; D182-M185 PolarHBondContact O-N 3.05Å; D182-M185 PolarHBondContact OD1-N 3.13Å; M185-A187 PolarHBondContact O-N 3.31Å; M185-C188 WeakPolarHBondContact O-CB 3.1Å; M185-C188 PolarHBondContact O-N 3Å; M185-L189 WeakPolarHBondContact O-CB 3.14Å; M185-L189 PolarHBondContact O-N 2.79Å; M185-C194 HydrophobicContact CE-CB 3.93Å; M185-T196 HydrophobicContact CE-CG2 3.98Å; M185-T196 WeakPolarHBondContact CE-O 3.38Å; M185-D197 WeakPolarHBondContact CB-O 3.29Å; M185-A199 HydrophobicContact CG-CB 4.2Å
186S88.3Confident88.2Confident44 Ų4445.5 Ų45.531%0.30825%0.253SS..Hα-helixtrans-60.5-43.9174.2-580000112.3D182 P183 L184 S190D182-S186 PolarHBondContact O-N 2.66Å; D182-S186 PolarHBondContact O-OG 3.4Å; P183-S186 PolarHBondContact O-N 2.93Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.07Å; S186-S190 WeakPolarHBondContact O-CB 3.27Å; S186-S190 PolarHBondContact O-N 3.27Å; S186-S190 PolarHBondContact O-OG 2.84Å
187A84.5Confident87.9Confident16 Ų1647.9 Ų47.913%0.13227%0.265CS..Hα-helixtrans-65-44173.400000111.5P183 L184 M185 L189 S190 Y191P183-A187 PolarHBondContact O-N 2.77Å; P183-A187 VanDerWaalsContact O-N 3.09Å; L184-A187 PolarHBondContact O-N 3.41Å; M185-A187 PolarHBondContact O-N 3.31Å; A187-L189 VanDerWaalsContact C-N 3.31Å; A187-L189 PolarHBondContact O-N 2.73Å; A187-S190 WeakPolarHBondContact O-CB 3.39Å; A187-S190 PolarHBondContact O-N 3.19Å; A187-S190 VanDerWaalsContact O-N 3.08Å; A187-Y191 HydrophobicContact CB-CE2 4.49Å; A187-Y191 WeakPolarHBondContact O-CD2 3.1Å; A187-Y191 PolarHBondContact O-N 2.92Å
188C83.1Confident87.7Confident3 Ų352.8 Ų52.82%0.0228%0.284CS..Hα-helixtrans-60.5-39.7179.3-170.70000112.3L184 M185 G192 T193 C194L184-C188 VanDerWaalsContact O-CB 3.3Å; L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.06Å; M185-C188 WeakPolarHBondContact O-CB 3.1Å; M185-C188 PolarHBondContact O-N 3Å; C188-G192 PolarHBondContact O-N 2.78Å; C188-T193 PolarHBondContact O-N 2.62Å; C188-T193 VanDerWaalsContact SG-CB 3.6Å; C188-C194 HydrophobicContact CB-CB 3.64Å; C188-C194 WeakPolarHBondContact CB-SG 3.15Å; C188-C194 PolarHBondContact O-N 3.14Å; C188-C194 WeakPolarHBondContact SG-CB 3.46Å; C188-C194 PolarHBondContact SG-N 2.99Å; C188-C194 CovalentContact SG-SG 2.02Å; C188-C194 PolarHBondContact SG-SG 3.19Å
189L87.1Confident87.5Confident69 Ų6951.3 Ų51.336%0.36128%0.28SS..Hα-helixtrans-64.2-46172179.663.2000111M185 A187 Y191 G192 C194 D197M185-L189 WeakPolarHBondContact O-CB 3.14Å; M185-L189 PolarHBondContact O-N 2.79Å; A187-L189 VanDerWaalsContact C-N 3.31Å; A187-L189 PolarHBondContact O-N 2.73Å; L189-Y191 VanDerWaalsContact C-N 3.27Å; L189-Y191 PolarHBondContact O-N 3.14Å; L189-G192 PolarHBondContact O-N 2.79Å; L189-C194 WeakPolarHBondContact CD1-O 3.13Å; L189-D197 HydrophobicContact CB-CB 4.39Å; L189-D197 HydrophobicContact CD2-CB 3.77Å
190S87.2Confident87.4Confident105 Ų10552 Ų5273%0.73429%0.287SS*.Hα-helixtrans-61.1-34-179.4-59.70000113.1S186 A187 G192S186-S190 WeakPolarHBondContact O-CB 3.27Å; S186-S190 PolarHBondContact O-N 3.27Å; S186-S190 PolarHBondContact O-OG 2.84Å; A187-S190 WeakPolarHBondContact O-CB 3.39Å; A187-S190 PolarHBondContact O-N 3.19Å; A187-S190 VanDerWaalsContact O-N 3.08Å; S190-G192 VanDerWaalsContact C-N 3.32Å
191Y82.9Confident87.3Confident180 Ų18053 Ų5371%0.70629%0.294SS*.THydrogen-bonded Turntrans-83.3-2.5174.2-71-66.8000114.1A187 L189 T193A187-Y191 HydrophobicContact CB-CE2 4.49Å; A187-Y191 WeakPolarHBondContact O-CD2 3.1Å; A187-Y191 PolarHBondContact O-N 2.92Å; L189-Y191 VanDerWaalsContact C-N 3.27Å; L189-Y191 PolarHBondContact O-N 3.14Å; Y191-T193 VanDerWaalsContact C-N 3.28Å; Y191-T193 PolarHBondContact O-N 2.62Å
192G83.2Confident87.3Confident47 Ų4747.2 Ų47.249%0.48527%0.267SS..THydrogen-bonded Turntrans73.515.9-178.300000114.3C188 L189 S190 R342C188-G192 PolarHBondContact O-N 2.78Å; L189-G192 PolarHBondContact O-N 2.79Å; S190-G192 VanDerWaalsContact C-N 3.32Å; G192-R342 PolarHBondContact O-NH1 3.44Å
193T79.9Confident87.3Confident9 Ų947.2 Ų47.26%0.05527%0.268CS..SBendtrans-88.4-30178.5-510000111.7Y155 L156 C188 Y191 R342Y155-T193 VanDerWaalsContact OH-CG2 3.27Å; Y155-T193 WeakPolarHBondContact OH-CG2 3.37Å; Y155-T193 PolarHBondContact OH-OG1 3.48Å; L156-T193 HydrophobicContact CD1-CG2 3.67Å; C188-T193 PolarHBondContact O-N 2.62Å; C188-T193 VanDerWaalsContact SG-CB 3.6Å; Y191-T193 VanDerWaalsContact C-N 3.28Å; Y191-T193 PolarHBondContact O-N 2.62Å; T193-R342 VanDerWaalsContact C-NH1 3.35Å; T193-R342 WeakPolarHBondContact O-CD 3.38Å; T193-R342 PolarHBondContact O-NH1 2.66Å
194C82.7Confident87.2Confident5 Ų546.3 Ų46.33%0.03426%0.26CS..  trans-112154.3175-66.90000110.9M185 C188 L189 T196M185-C194 HydrophobicContact CE-CB 3.93Å; C188-C194 HydrophobicContact CB-CB 3.64Å; C188-C194 WeakPolarHBondContact CB-SG 3.15Å; C188-C194 PolarHBondContact O-N 3.14Å; C188-C194 WeakPolarHBondContact SG-CB 3.46Å; C188-C194 PolarHBondContact SG-N 2.99Å; C188-C194 CovalentContact SG-SG 2.02Å; C188-C194 PolarHBondContact SG-SG 3.19Å; L189-C194 WeakPolarHBondContact CD1-O 3.13Å; C194-T196 VanDerWaalsContact C-N 3.32Å; C194-T196 WeakPolarHBondContact CB-O 3.41Å
195D83.2Confident87.5Confident105 Ų10548 Ų4856%0.56127%0.267SS*.SBendtrans-93.94.9177.6-54.9-34.1000112.2R342D195-R342 IonicContact OD1-CZ 2.74Å; D195-R342 IonicContact OD1-NH1 3.04Å; D195-R342 PolarHBondContact OD1-NH1 3.28Å; D195-R342 IonicContact OD1-NH2 2.82Å; D195-R342 PolarHBondContact OD1-NH2 3.29Å
196T88.4Confident87.7Confident26 Ų2649.7 Ų49.716%0.1628%0.277CS..  trans-158.6150.8-174179.40000110M185 C194 R198 V203 T204M185-T196 HydrophobicContact CE-CG2 3.98Å; M185-T196 WeakPolarHBondContact CE-O 3.38Å; C194-T196 VanDerWaalsContact C-N 3.32Å; C194-T196 WeakPolarHBondContact CB-O 3.41Å; T196-R198 PolarHBondContact OG1-N 3.18Å; T196-R198 VanDerWaalsContact OG1-N 3.15Å; T196-V203 HydrophobicContact CG2-CG1 3.62Å; T196-T204 HydrophobicContact CG2-CG2 4.38Å
197D90.5Very high87.9Confident56 Ų5647.9 Ų47.930%0.29927%0.265SS..SBendtrans-94.33.5172.458.1-13.9000113.2D182 M185 L189D182-D197 PolarHBondContact N-O 3.36Å; M185-D197 WeakPolarHBondContact CB-O 3.29Å; L189-D197 HydrophobicContact CB-CB 4.39Å; L189-D197 HydrophobicContact CD2-CB 3.77Å
198R92.3Very high88.1Confident104 Ų10451.7 Ų51.739%0.39229%0.287SS..EExtended strand (participates in β ladder)trans-112.7147.3-177.8-60.4174.781.8133.63.2113G179 Y180 T196 V203G179-R198 PolarHBondContact O-NE 3.38Å; G179-R198 PolarHBondContact O-NH2 3.31Å; Y180-R198 CarbonylContact O-C 3.55Å; Y180-R198 WeakPolarHBondContact O-CA 3.35Å; Y180-R198 WeakPolarHBondContact O-CB 3.28Å; T196-R198 PolarHBondContact OG1-N 3.18Å; T196-R198 VanDerWaalsContact OG1-N 3.15Å; R198-V203 HydrophobicContact CB-CG2 4.39Å
199A91.2Very high88.4Confident8 Ų854.8 Ų54.87%0.06630%0.3CS..EExtended strand (participates in β ladder)trans-111.8136.9171.200000110.9V145 G179 Y180 M185V145-A199 HydrophobicContact CG2-CB 3.41Å; V145-A199 VanDerWaalsContact CG2-CB 3.41Å; G179-A199 CarbonylContact C-O 3.51Å; G179-A199 WeakPolarHBondContact CA-O 3.45Å; Y180-A199 WeakPolarHBondContact CD1-O 3.13Å; Y180-A199 HydrophobicContact CE1-CB 4.34Å; Y180-A199 WeakPolarHBondContact CE1-O 3.27Å; Y180-A199 HydrophobicContact CE2-CB 4.19Å; Y180-A199 PolarHBondContact N-O 3.27Å; Y180-A199 PolarHBondContact O-N 3Å; M185-A199 HydrophobicContact CG-CB 4.2Å
200G92.8Very high88.7Confident15 Ų1554.8 Ų54.816%0.15530%0.303CS..SBendtrans168.2167.6-178.900000112.6I176 M202 V203I176-G200 WeakPolarHBondContact O-CA 3.28Å; G200-M202 PolarHBondContact O-N 3.46Å; G200-V203 VanDerWaalsContact N-CG2 3.31Å
201L93.2Very high89Confident34 Ų3450.2 Ų50.218%0.17827%0.271CS..THydrogen-bonded Turntrans-66.4-40.6-170.6-63.6173.7000113.7L70 L144 I176 I177 L423 A424 F426L70-L201 HydrophobicContact CD2-CD1 4.09Å; L144-L201 HydrophobicContact CD1-CD2 4.07Å; I176-L201 HydrophobicContact CG2-CD1 3.91Å; I176-L201 HydrophobicContact CG2-CG 4.32Å; I176-L201 PolarHBondContact O-N 3.33Å; I177-L201 PolarHBondContact O-N 3.13Å; L201-L423 HydrophobicContact CD2-CB 3.82Å; L201-L423 HydrophobicContact CD2-CD1 3.64Å; L201-L423 HydrophobicContact CD2-CG 4.36Å; L201-A424 HydrophobicContact CD1-CB 3.72Å; L201-F426 HydrophobicContact CD1-CZ 4.45Å
202M92.8Very high89.7Confident23 Ų2344.5 Ų44.511%0.11325%0.253CS..THydrogen-bonded Turntrans-119.726.6-173.4-61.7-67.7-76.700111.5F66 I177 W178 G200 K205 F426F66-M202 HydrophobicContact CE1-CE 4.06Å; F66-M202 HydrophobicContact CZ-CE 4.04Å; I177-M202 HydrophobicContact CG2-CB 4.3Å; I177-M202 HydrophobicContact CG2-CG 4.26Å; I177-M202 WeakPolarHBondContact O-CA 3.06Å; I177-M202 WeakPolarHBondContact O-CB 3.23Å; I177-M202 PolarHBondContact O-N 3.45Å; W178-M202 HydrophobicContact CE3-CB 3.86Å; W178-M202 HydrophobicContact CH2-CB 4.48Å; W178-M202 HydrophobicContact CZ3-CB 3.68Å; G200-M202 PolarHBondContact O-N 3.46Å; M202-K205 HydrophobicContact CB-CB 4.31Å; M202-K205 HydrophobicContact CB-CG 4.13Å; M202-K205 HydrophobicContact CE-CB 4.18Å; M202-K205 HydrophobicContact CE-CG 3.99Å; M202-K205 VanDerWaalsContact O-CB 3.26Å; M202-K205 WeakPolarHBondContact O-CB 3.47Å; M202-K205 WeakPolarHBondContact O-CG 3.36Å; M202-K205 PolarHBondContact O-N 2.9Å; M202-K205 VanDerWaalsContact O-N 3.09Å; M202-K205 HydrophobicContact SD-CG 4.25Å; M202-F426 HydrophobicContact CG-CE1 4.34Å; M202-F426 HydrophobicContact SD-CE1 4.47Å
203V90Very high90.4Very high22 Ų2242.6 Ų42.613%0.13323%0.231CC..THydrogen-bonded Turntrans-54.8140.5175.2169.10000110.1W178 T196 R198 G200 K205W178-V203 WeakPolarHBondContact O-CG2 3.41Å; T196-V203 HydrophobicContact CG2-CG1 3.62Å; R198-V203 HydrophobicContact CB-CG2 4.39Å; G200-V203 VanDerWaalsContact N-CG2 3.31Å; V203-K205 PolarHBondContact O-N 3.4Å
204T85.8Confident91.2Very high60 Ų6043.6 Ų43.637%0.36824%0.237SC..THydrogen-bonded Turntrans5611.4-173.5700000116.5T196 T208 K209T196-T204 HydrophobicContact CG2-CG2 4.38Å; T204-T208 HydrophobicContact CG2-CG2 4.42Å; T204-T208 VanDerWaalsContact O-CB 3.3Å; T204-T208 WeakPolarHBondContact O-CB 3.35Å; T204-K209 WeakPolarHBondContact O-CB 3.38Å; T204-K209 PolarHBondContact O-N 2.76Å
205K91Very high92Very high46 Ų4643.4 Ų43.420%0.224%0.236CC..THydrogen-bonded Turntrans-82.6-45.8174.7-60.8-65-171.2175.40112.8Y123 M202 V203 G207 K209 D272Y123-K205 HydrophobicContact CE2-CB 4.49Å; M202-K205 HydrophobicContact CB-CB 4.31Å; M202-K205 HydrophobicContact CB-CG 4.13Å; M202-K205 HydrophobicContact CE-CB 4.18Å; M202-K205 HydrophobicContact CE-CG 3.99Å; M202-K205 VanDerWaalsContact O-CB 3.26Å; M202-K205 WeakPolarHBondContact O-CB 3.47Å; M202-K205 WeakPolarHBondContact O-CG 3.36Å; M202-K205 PolarHBondContact O-N 2.9Å; M202-K205 VanDerWaalsContact O-N 3.09Å; M202-K205 HydrophobicContact SD-CG 4.25Å; V203-K205 PolarHBondContact O-N 3.4Å; K205-G207 PolarHBondContact O-N 3.33Å; K205-K209 HydrophobicContact CD-CD 4.19Å; K205-D272 IonicContact NZ-OD1 2.71Å; K205-D272 PolarHBondContact NZ-OD1 2.78Å; K205-D272 IonicContact NZ-OD2 3.31Å
206N92.7Very high92.7Very high66 Ų6638.9 Ų38.935%0.35321%0.212SC..THydrogen-bonded Turntrans-69.997.4-173-1684.7000111.4L122 Y123 W178 T208L122-N206 WeakPolarHBondContact CA-OD1 3.43Å; Y123-N206 HydrophobicContact CD2-CB 4.09Å; Y123-N206 PolarHBondContact N-OD1 3.35Å; Y123-N206 PolarHBondContact O-ND2 2.91Å; W178-N206 HydrophobicContact CE3-CB 3.88Å; W178-N206 HydrophobicContact CH2-CB 4.44Å; W178-N206 HydrophobicContact CZ3-CB 3.75Å; N206-T208 PolarHBondContact O-N 3.28Å
207G91Very high93.1Very high6 Ų637.7 Ų37.76%0.06220%0.204CC..THydrogen-bonded Turntrans67.10.818000000115.3R120 I121 K205R120-G207 PolarHBondContact NE-O 3.29Å; R120-G207 PolarHBondContact NH2-O 3.2Å; I121-G207 WeakPolarHBondContact O-CA 3.47Å; I121-G207 PolarHBondContact O-N 2.91Å; K205-G207 PolarHBondContact O-N 3.33Å
208T89.2Confident93.3Very high97 Ų9735.1 Ų35.160%0.59519%0.191SC*.THydrogen-bonded Turntrans-99.5-44.8-177.8-53.50000112.1T204 N206 V210T204-T208 HydrophobicContact CG2-CG2 4.42Å; T204-T208 VanDerWaalsContact O-CB 3.3Å; T204-T208 WeakPolarHBondContact O-CB 3.35Å; N206-T208 PolarHBondContact O-N 3.28Å; T208-V210 PolarHBondContact O-N 2.87Å
209K89Confident93.4Very high68 Ų6831.6 Ų31.630%0.29618%0.184SC..  trans-69.9114.4177.9-174.8173.8175.8179.50110.6T204 K205 D272T204-K209 WeakPolarHBondContact O-CB 3.38Å; T204-K209 PolarHBondContact O-N 2.76Å; K205-K209 HydrophobicContact CD-CD 4.19Å; K209-D272 IonicContact NZ-OD1 2.89Å; K209-D272 PolarHBondContact NZ-OD1 2.93Å
210V92.9Very high93.5Very high68 Ų6838 Ų3841%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-108.5137.2169.8-178.40000108.4Q118 H119 R120 T208Q118-V210 HydrophobicContact CB-CG1 3.83Å; Q118-V210 HydrophobicContact CG-CG1 3.81Å; H119-V210 WeakPolarHBondContact O-CA 3.29Å; R120-V210 HydrophobicContact CG-CG2 4.49Å; T208-V210 PolarHBondContact O-N 2.87Å
211S94.3Very high93.6Very high10 Ų1040.9 Ų40.97%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-131.3134.7177-60.80000110.8H119 N232H119-S211 PolarHBondContact N-O 3.29Å; H119-S211 PolarHBondContact O-N 2.76Å; S211-N232 WeakPolarHBondContact CA-OD1 3.33Å
212D97.2Very high93.6Very high59 Ų5940.2 Ų40.232%0.31622%0.216SC..EExtended strand (participates in β ladder)trans-88.6126.8178.6-65.8-42.6000109.5Q118 Y231 N232Q118-D212 WeakPolarHBondContact CG-OD1 3.4Å; Q118-D212 PolarHBondContact NE2-OD1 3.05Å; D212-Y231 CarbonylContact O-C 3.5Å; D212-Y231 WeakPolarHBondContact O-CA 3.19Å; D212-N232 PolarHBondContact N-OD1 2.62Å; D212-N232 PolarHBondContact O-N 3.04Å
213F97.9Very high93.7Very high8 Ų841.3 Ų41.34%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-119.1142.7174.9-75.7-94.2000110.4K116 Y117 H119 V228 Y231 F269 P271K116-F213 CarbonylContact C-O 3.46Å; K116-F213 VanDerWaalsContact CA-O 3.25Å; K116-F213 WeakPolarHBondContact CA-O 3.24Å; Y117-F213 HydrophobicContact CD1-CB 4.05Å; Y117-F213 HydrophobicContact CE1-CB 3.47Å; Y117-F213 VanDerWaalsContact CE1-CB 3.47Å; Y117-F213 HydrophobicContact CE1-CG 4.41Å; Y117-F213 HydrophobicContact CE2-CB 4.05Å; Y117-F213 HydrophobicContact CE2-CD2 4.24Å; Y117-F213 HydrophobicContact CE2-CG 4.36Å; Y117-F213 VanDerWaalsContact CZ-CB 3.48Å; Y117-F213 AromaticContact CZ-CG 3.95Å; Y117-F213 PolarHBondContact N-O 2.8Å; Y117-F213 PolarHBondContact O-N 3.17Å; H119-F213 HydrophobicContact CB-CD2 3.94Å; H119-F213 HydrophobicContact CB-CE2 3.93Å; F213-V228 HydrophobicContact CD1-CG1 3.94Å; F213-V228 HydrophobicContact CD1-CG2 4.2Å; F213-V228 HydrophobicContact CE1-CG1 4.32Å; F213-V228 HydrophobicContact CE1-CG2 4.33Å; F213-Y231 HydrophobicContact CD1-CD2 4.28Å; F213-Y231 AromaticContact CE1-CD2 3.74Å; F213-Y231 HydrophobicContact CE1-CD2 3.74Å; F213-Y231 HydrophobicContact CE1-CE2 4.37Å; F213-Y231 HydrophobicContact CE2-CD2 4.03Å; F213-Y231 HydrophobicContact CE2-CE2 4.07Å; F213-Y231 AromaticContact CZ-CD2 3.61Å; F213-Y231 HydrophobicContact CZ-CD2 3.61Å; F213-Y231 AromaticContact CZ-CE2 3.78Å; F213-Y231 HydrophobicContact CZ-CE2 3.78Å; F213-F269 HydrophobicContact CE1-CD1 4.36Å; F213-F269 HydrophobicContact CE1-CE1 4.48Å; F213-P271 HydrophobicContact CE1-CG 4.45Å; F213-P271 HydrophobicContact CZ-CG 3.85Å
214V98.2Very high94Very high29 Ų2942.2 Ų42.218%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-120.6122.8161-176.90000107.3T114 V115 K116 L229 R230T114-V214 HydrophobicContact CG2-CG1 4.45Å; V115-V214 WeakPolarHBondContact O-CA 3.1Å; K116-V214 HydrophobicContact CB-CG2 4.17Å; K116-V214 HydrophobicContact CG-CG2 4.11Å; V214-L229 HydrophobicContact CG1-CB 4.49Å; V214-L229 PolarHBondContact O-N 2.85Å; V214-R230 HydrophobicContact CB-CB 4Å; V214-R230 HydrophobicContact CB-CG 4.45Å; V214-R230 HydrophobicContact CG2-CB 4.08Å; V214-R230 PolarHBondContact N-O 2.89Å; V214-R230 PolarHBondContact O-N 2.86Å
215I98Very high94.5Very high1 Ų139.5 Ų39.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-122156.4-18065.9172.7000111.7I47 W57 T114 V115 Y117 K227 V228I47-I215 HydrophobicContact CD1-CD1 3.94Å; W57-I215 HydrophobicContact CH2-CD1 4.32Å; W57-I215 HydrophobicContact CZ2-CD1 3.48Å; W57-I215 VanDerWaalsContact CZ2-CD1 3.48Å; T114-I215 VanDerWaalsContact CA-O 3.23Å; T114-I215 WeakPolarHBondContact CA-O 3.43Å; T114-I215 WeakPolarHBondContact CB-O 3.29Å; V115-I215 HydrophobicContact CG1-CD1 3.74Å; V115-I215 HydrophobicContact CG1-CG1 3.37Å; V115-I215 PolarHBondContact N-O 3.18Å; V115-I215 PolarHBondContact O-N 3.37Å; Y117-I215 HydrophobicContact CE1-CD1 4.02Å; Y117-I215 HydrophobicContact CE1-CG1 4.12Å; Y117-I215 HydrophobicContact CE1-CG2 4.03Å; I215-K227 CarbonylContact C-O 3.48Å; I215-K227 WeakPolarHBondContact CA-O 3.43Å; I215-K227 WeakPolarHBondContact CB-O 3.24Å; I215-V228 HydrophobicContact CG2-CG2 4.29Å
216D97.9Very high94.7Very high11 Ų1137.4 Ų37.46%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-77.3129.5170-171.5-41.9000109.9G218 N224 G226 K227 L229D216-G218 PolarHBondContact O-N 2.87Å; D216-G218 WeakPolarHBondContact OD1-CA 3.4Å; D216-G218 PolarHBondContact OD1-N 2.87Å; D216-N224 HydrophobicContact CB-CB 4.08Å; D216-N224 WeakPolarHBondContact CB-O 3.49Å; D216-N224 VanDerWaalsContact CG-CB 3.47Å; D216-N224 VanDerWaalsContact OD2-CB 3.24Å; D216-N224 WeakPolarHBondContact OD2-CB 3.34Å; D216-N224 PolarHBondContact OD2-ND2 2.8Å; D216-G226 PolarHBondContact O-N 3.16Å; D216-K227 HydrophobicContact CB-CB 4.5Å; D216-K227 PolarHBondContact N-O 3.18Å; D216-L229 HydrophobicContact CB-CD1 4.18Å; D216-L229 HydrophobicContact CB-CD2 4.43Å; D216-L229 HydrophobicContact CB-CG 4.39Å
217T97Very high95Very high0 Ų038.1 Ų38.10%020%0.204CC..  trans-72.9-16.6-177.759.80000112.8A46 I47 F106 P112 K113 V115 A219A46-T217 CarbonylContact C-O 3.6Å; A46-T217 WeakPolarHBondContact CA-O 3.5Å; I47-T217 PolarHBondContact N-O 2.91Å; I47-T217 WeakPolarHBondContact O-CB 3.25Å; I47-T217 WeakPolarHBondContact O-CG2 3.33Å; F106-T217 HydrophobicContact CD1-CG2 4.28Å; F106-T217 HydrophobicContact CE1-CG2 4.19Å; P112-T217 WeakPolarHBondContact O-CG2 3.25Å; P112-T217 PolarHBondContact O-OG1 2.94Å; K113-T217 PolarHBondContact O-N 2.61Å; K113-T217 PolarHBondContact O-OG1 2.97Å; K113-T217 VanDerWaalsContact O-OG1 3.1Å; V115-T217 HydrophobicContact CB-CG2 4.24Å; V115-T217 HydrophobicContact CG1-CG2 4.2Å; T217-A219 VanDerWaalsContact C-N 3.27Å; T217-A219 WeakPolarHBondContact OG1-CB 3.41Å; T217-A219 PolarHBondContact OG1-N 3.37Å
218G95.9Very high95.3Very high3 Ų338.2 Ų38.23%0.03120%0.204CC..SBendtrans795.4-172.200000114.2D216 Y220 N221 I222D216-G218 PolarHBondContact O-N 2.87Å; D216-G218 WeakPolarHBondContact OD1-CA 3.4Å; D216-G218 PolarHBondContact OD1-N 2.87Å; G218-Y220 PolarHBondContact O-N 2.81Å; G218-N221 CarbonylContact O-C 3.56Å; G218-I222 WeakPolarHBondContact O-CA 3.36Å; G218-I222 PolarHBondContact O-N 3.23Å
219A94.2Very high95.7Very high30 Ų3036.8 Ų36.825%0.24819%0.192CC..SBendtrans-61.8-39.6-174.300000113.6L48 P111 T217L48-A219 HydrophobicContact CD2-CB 3.91Å; P111-A219 HydrophobicContact CB-CB 3.96Å; P111-A219 HydrophobicContact CG-CB 3.77Å; T217-A219 VanDerWaalsContact C-N 3.27Å; T217-A219 WeakPolarHBondContact OG1-CB 3.41Å; T217-A219 PolarHBondContact OG1-N 3.37Å
220Y93.1Very high96.2Very high142 Ų14239.3 Ų39.356%0.55720%0.2SC*.SBendtrans-92.9-34.2-179.8-66.2-88.4000112.6P111 K113 G218P111-Y220 WeakPolarHBondContact O-CE2 3.24Å; P111-Y220 PolarHBondContact O-OH 3.32Å; K113-Y220 HydrophobicContact CB-CD2 4.04Å; K113-Y220 HydrophobicContact CB-CE2 3.74Å; K113-Y220 HydrophobicContact CG-CD2 3.99Å; K113-Y220 HydrophobicContact CG-CE2 4.16Å; G218-Y220 PolarHBondContact O-N 2.81Å
221N93.9Very high96.4Very high75 Ų7536.7 Ų36.740%0.40118%0.183SC..  trans-143.6106.7174.9-177.9-4.2000109.3G218 S223 N224G218-N221 CarbonylContact O-C 3.56Å; N221-S223 PolarHBondContact O-N 3.29Å; N221-S223 VanDerWaalsContact OD1-CB 3.24Å; N221-S223 WeakPolarHBondContact OD1-CB 3.4Å; N221-S223 PolarHBondContact OD1-N 3.25Å; N221-S223 PolarHBondContact OD1-OG 3.38Å; N221-N224 WeakPolarHBondContact O-CB 3.32Å; N221-N224 PolarHBondContact O-N 2.82Å
222I94.3Very high96.5Very high20 Ų2039.7 Ų39.710%0.10320%0.198CC..G310 helixtrans-61.8-20.7-177.6-161.960.8000113.1S42 L45 A46 G218 N224 V225 P258S42-I222 VanDerWaalsContact O-CD1 3.29Å; S42-I222 WeakPolarHBondContact O-CD1 3.42Å; S42-I222 WeakPolarHBondContact OG-CG2 3.42Å; L45-I222 HydrophobicContact CB-CD1 3.76Å; L45-I222 HydrophobicContact CB-CG1 4.26Å; A46-I222 HydrophobicContact CB-CD1 4.44Å; G218-I222 WeakPolarHBondContact O-CA 3.36Å; G218-I222 PolarHBondContact O-N 3.23Å; I222-N224 PolarHBondContact O-N 2.87Å; I222-N224 VanDerWaalsContact O-N 3.16Å; I222-V225 HydrophobicContact CD1-CB 4.04Å; I222-V225 HydrophobicContact CD1-CG1 4.34Å; I222-V225 HydrophobicContact CD1-CG2 4.4Å; I222-V225 WeakPolarHBondContact O-CB 3.27Å; I222-V225 WeakPolarHBondContact O-CG1 3.07Å; I222-V225 PolarHBondContact O-N 3.22Å; I222-V225 VanDerWaalsContact O-N 3.16Å; I222-P258 HydrophobicContact CB-CG 4.36Å; I222-P258 HydrophobicContact CG1-CG 3.62Å; I222-P258 HydrophobicContact CG2-CG 3.82Å
223S94.1Very high96.4Very high46 Ų4638.4 Ų38.432%0.32220%0.199SC..G310 helixtrans-66.3-12.9174.2-57.50000113.2N221 K227N221-S223 PolarHBondContact O-N 3.29Å; N221-S223 VanDerWaalsContact OD1-CB 3.24Å; N221-S223 WeakPolarHBondContact OD1-CB 3.4Å; N221-S223 PolarHBondContact OD1-N 3.25Å; N221-S223 PolarHBondContact OD1-OG 3.38Å; S223-K227 WeakPolarHBondContact O-CE 3.37Å
224N96Very high96.4Very high42 Ų4243.6 Ų43.623%0.22522%0.223CC..G310 helixtrans-100.2-2.8176.2-67.5-14.3000114D216 N221 I222 G226 K227D216-N224 HydrophobicContact CB-CB 4.08Å; D216-N224 WeakPolarHBondContact CB-O 3.49Å; D216-N224 VanDerWaalsContact CG-CB 3.47Å; D216-N224 VanDerWaalsContact OD2-CB 3.24Å; D216-N224 WeakPolarHBondContact OD2-CB 3.34Å; D216-N224 PolarHBondContact OD2-ND2 2.8Å; N221-N224 WeakPolarHBondContact O-CB 3.32Å; N221-N224 PolarHBondContact O-N 2.82Å; I222-N224 PolarHBondContact O-N 2.87Å; I222-N224 VanDerWaalsContact O-N 3.16Å; N224-G226 PolarHBondContact O-N 2.9Å; N224-K227 HydrophobicContact CB-CD 4.02Å; N224-K227 VanDerWaalsContact O-CB 3.26Å; N224-K227 WeakPolarHBondContact O-CB 3.26Å; N224-K227 WeakPolarHBondContact O-CG 3.27Å; N224-K227 PolarHBondContact O-N 3.05Å; N224-K227 WeakPolarHBondContact OD1-CE 3.25Å; N224-K227 PolarHBondContact OD1-NZ 3.1Å
225V96.4Very high96.4Very high3 Ų346.7 Ų46.72%0.01824%0.242CC..THydrogen-bonded Turntrans-50.9128.5-177.567.40000111.6I47 I222 K227 V255I47-V225 HydrophobicContact CD1-CG2 4.13Å; I47-V225 HydrophobicContact CG1-CG2 4.06Å; I222-V225 HydrophobicContact CD1-CB 4.04Å; I222-V225 HydrophobicContact CD1-CG1 4.34Å; I222-V225 HydrophobicContact CD1-CG2 4.4Å; I222-V225 WeakPolarHBondContact O-CB 3.27Å; I222-V225 WeakPolarHBondContact O-CG1 3.07Å; I222-V225 PolarHBondContact O-N 3.22Å; I222-V225 VanDerWaalsContact O-N 3.16Å; V225-K227 PolarHBondContact O-N 3.16Å; V225-V255 HydrophobicContact CG1-CG1 4.03Å; V225-V255 HydrophobicContact CG2-CG1 3.95Å
226G96.3Very high96.3Very high1 Ų149.3 Ų49.31%0.0126%0.261CS..THydrogen-bonded Turntrans74.7-0.8178.500000115.4D216 N224 V228 T251D216-G226 PolarHBondContact O-N 3.16Å; N224-G226 PolarHBondContact O-N 2.9Å; G226-V228 PolarHBondContact O-N 2.99Å; G226-T251 WeakPolarHBondContact O-CA 3.47Å; G226-T251 VanDerWaalsContact O-CB 3.24Å; G226-T251 WeakPolarHBondContact O-CB 3.49Å; G226-T251 WeakPolarHBondContact O-CG2 3.43Å
227K97.8Very high96.2Very high81 Ų8149.4 Ų49.435%0.35226%0.261SS..BIsolated β-bridgetrans-62.2130.6178.5-76.3-174.5-177.5173.30110.5I215 D216 S223 N224 V225 L229 G250 T251I215-K227 CarbonylContact C-O 3.48Å; I215-K227 WeakPolarHBondContact CA-O 3.43Å; I215-K227 WeakPolarHBondContact CB-O 3.24Å; D216-K227 HydrophobicContact CB-CB 4.5Å; D216-K227 PolarHBondContact N-O 3.18Å; S223-K227 WeakPolarHBondContact O-CE 3.37Å; N224-K227 HydrophobicContact CB-CD 4.02Å; N224-K227 VanDerWaalsContact O-CB 3.26Å; N224-K227 WeakPolarHBondContact O-CB 3.26Å; N224-K227 WeakPolarHBondContact O-CG 3.27Å; N224-K227 PolarHBondContact O-N 3.05Å; N224-K227 WeakPolarHBondContact OD1-CE 3.25Å; N224-K227 PolarHBondContact OD1-NZ 3.1Å; V225-K227 PolarHBondContact O-N 3.16Å; K227-L229 PolarHBondContact O-N 3.35Å; K227-G250 CarbonylContact C-O 3.55Å; K227-G250 VanDerWaalsContact CA-O 3.28Å; K227-G250 WeakPolarHBondContact CA-O 3.3Å; K227-T251 HydrophobicContact CG-CG2 4.48Å
228V98.2Very high96Very high9 Ų954.8 Ų54.86%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-75.1117.2176.9-174.70000109F213 I215 G226 I248 G250 F269F213-V228 HydrophobicContact CD1-CG1 3.94Å; F213-V228 HydrophobicContact CD1-CG2 4.2Å; F213-V228 HydrophobicContact CE1-CG1 4.32Å; F213-V228 HydrophobicContact CE1-CG2 4.33Å; I215-V228 HydrophobicContact CG2-CG2 4.29Å; G226-V228 PolarHBondContact O-N 2.99Å; V228-I248 HydrophobicContact CB-CG2 3.76Å; V228-I248 HydrophobicContact CG1-CG2 3.62Å; V228-G250 PolarHBondContact N-O 2.94Å; V228-F269 HydrophobicContact CG1-CD1 4.32Å
229L98Very high95.7Very high67 Ų6757.3 Ų57.335%0.35130%0.299SS..EExtended strand (participates in β ladder)trans-95.6-37.2177.4-57179.8000111.3T114 V214 D216 K227T114-L229 HydrophobicContact CG2-CD1 3.53Å; V214-L229 HydrophobicContact CG1-CB 4.49Å; V214-L229 PolarHBondContact O-N 2.85Å; D216-L229 HydrophobicContact CB-CD1 4.18Å; D216-L229 HydrophobicContact CB-CD2 4.43Å; D216-L229 HydrophobicContact CB-CG 4.39Å; K227-L229 PolarHBondContact O-N 3.35Å
230R98.1Very high95.7Very high121 Ų12156 Ų5646%0.45729%0.287SS..EExtended strand (participates in β ladder)trans-141.2144.5174.7-58.5174.183.7160.33.1110.9V214 G233 E234 T235V214-R230 HydrophobicContact CB-CB 4Å; V214-R230 HydrophobicContact CB-CG 4.45Å; V214-R230 HydrophobicContact CG2-CB 4.08Å; V214-R230 PolarHBondContact N-O 2.89Å; V214-R230 PolarHBondContact O-N 2.86Å; R230-G233 PolarHBondContact NE-O 3.5Å; R230-G233 PolarHBondContact NH2-O 2.9Å; R230-E234 CarbonylContact C-O 3.58Å; R230-E234 WeakPolarHBondContact CA-O 3.24Å; R230-E234 WeakPolarHBondContact CB-O 3.38Å; R230-T235 HydrophobicContact CG-CG2 3.83Å
231Y97.3Very high95.7Very high13 Ų1355.1 Ų55.15%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-128.2123.5170.7171.5-107.6000108.5D212 F213 G233 E234 L237 F269 P271D212-Y231 CarbonylContact O-C 3.5Å; D212-Y231 WeakPolarHBondContact O-CA 3.19Å; F213-Y231 HydrophobicContact CD1-CD2 4.28Å; F213-Y231 AromaticContact CE1-CD2 3.74Å; F213-Y231 HydrophobicContact CE1-CD2 3.74Å; F213-Y231 HydrophobicContact CE1-CE2 4.37Å; F213-Y231 HydrophobicContact CE2-CD2 4.03Å; F213-Y231 HydrophobicContact CE2-CE2 4.07Å; F213-Y231 AromaticContact CZ-CD2 3.61Å; F213-Y231 HydrophobicContact CZ-CD2 3.61Å; F213-Y231 AromaticContact CZ-CE2 3.78Å; F213-Y231 HydrophobicContact CZ-CE2 3.78Å; Y231-G233 PolarHBondContact O-N 2.74Å; Y231-E234 PolarHBondContact N-O 2.89Å; Y231-E234 PolarHBondContact O-N 3.04Å; Y231-L237 HydrophobicContact CD1-CD2 4.37Å; Y231-F269 AromaticContact CD1-CE1 3.83Å; Y231-F269 HydrophobicContact CD1-CE1 3.83Å; Y231-F269 AromaticContact CD1-CZ 3.79Å; Y231-F269 HydrophobicContact CD1-CZ 3.79Å; Y231-F269 AromaticContact CD2-CE1 3.76Å; Y231-F269 HydrophobicContact CD2-CE1 3.76Å; Y231-F269 HydrophobicContact CD2-CZ 4.47Å; Y231-F269 HydrophobicContact CE1-CE1 4.39Å; Y231-F269 HydrophobicContact CE1-CZ 4.17Å; Y231-F269 HydrophobicContact CE2-CE1 4.3Å; Y231-F269 AromaticContact CG-CE1 3.49Å; Y231-F269 HydrophobicContact CG-CE1 3.49Å; Y231-F269 VanDerWaalsContact CG-CE1 3.49Å; Y231-F269 AromaticContact CG-CZ 3.96Å; Y231-F269 HydrophobicContact CG-CZ 3.96Å; Y231-P271 HydrophobicContact CD2-CG 4.3Å; Y231-P271 HydrophobicContact CE1-CB 4.28Å; Y231-P271 HydrophobicContact CE2-CB 3.77Å; Y231-P271 HydrophobicContact CE2-CG 3.75Å; Y231-P271 WeakPolarHBondContact OH-CB 3.26Å
232N95.9Very high95.7Very high72 Ų7254.1 Ų54.139%0.38529%0.285SS..THydrogen-bonded Turntrans49.742.9-176.5-65.8-15.9000113.4S211 D212 E234S211-N232 WeakPolarHBondContact CA-OD1 3.33Å; D212-N232 PolarHBondContact N-OD1 2.62Å; D212-N232 PolarHBondContact O-N 3.04Å; N232-E234 VanDerWaalsContact C-N 3.25Å; N232-E234 PolarHBondContact O-N 3.31Å
233G96.5Very high95.8Very high33 Ų3359.9 Ų59.934%0.3432%0.316SS..THydrogen-bonded Turntrans83.5-14179.800000115R230 Y231R230-G233 PolarHBondContact NE-O 3.5Å; R230-G233 PolarHBondContact NH2-O 2.9Å; Y231-G233 PolarHBondContact O-N 2.74Å
234E97.3Very high95.9Very high116 Ų11663.2 Ų63.254%0.54232%0.322SS..BIsolated β-bridgetrans-100.1145.9-175.3-60.2-61.3162.500112.6R230 Y231 N232 S236R230-E234 CarbonylContact C-O 3.58Å; R230-E234 WeakPolarHBondContact CA-O 3.24Å; R230-E234 WeakPolarHBondContact CB-O 3.38Å; Y231-E234 PolarHBondContact N-O 2.89Å; Y231-E234 PolarHBondContact O-N 3.04Å; N232-E234 VanDerWaalsContact C-N 3.25Å; N232-E234 PolarHBondContact O-N 3.31Å; E234-S236 WeakPolarHBondContact CB-O 3.22Å
235T97.5Very high95.9Very high94 Ų9461.3 Ų61.358%0.57731%0.312SS*.SBendtrans-89.9-11.417450.70000113.2R230R230-T235 HydrophobicContact CG-CG2 3.83Å
236S97.3Very high95.9Very high57 Ų5761.6 Ų61.640%0.39931%0.314SS..BIsolated β-bridgetrans-147154.8178.255.40000109.4E234E234-S236 WeakPolarHBondContact CB-O 3.22Å
237L95Very high96Very high12 Ų1265.8 Ų65.86%0.06333%0.334CS..  trans-75170.2172.7-49.5175000110.2Y231 Y239 N246 I248 F269 C274Y231-L237 HydrophobicContact CD1-CD2 4.37Å; L237-Y239 HydrophobicContact CB-CD2 3.85Å; L237-Y239 HydrophobicContact CB-CE2 4.22Å; L237-Y239 HydrophobicContact CB-CG 4.48Å; L237-Y239 HydrophobicContact CD1-CD2 4.05Å; L237-Y239 HydrophobicContact CD1-CE2 4.36Å; L237-Y239 HydrophobicContact CD2-CD2 4.34Å; L237-Y239 HydrophobicContact CD2-CE2 3.94Å; L237-Y239 HydrophobicContact CG-CD2 4.3Å; L237-Y239 HydrophobicContact CG-CE2 4.39Å; L237-N246 VanDerWaalsContact C-OD1 3.22Å; L237-N246 HydrophobicContact CB-CB 4.07Å; L237-N246 WeakPolarHBondContact CB-OD1 3.41Å; L237-N246 PolarHBondContact N-O 3.16Å; L237-N246 WeakPolarHBondContact O-CB 3.46Å; L237-N246 PolarHBondContact O-OD1 2.78Å; L237-I248 HydrophobicContact CD2-CD1 4Å; L237-I248 HydrophobicContact CD2-CG1 3.96Å; L237-I248 HydrophobicContact CG-CD1 4.46Å; L237-I248 HydrophobicContact CG-CG1 3.98Å; L237-F269 HydrophobicContact CD1-CE2 3.78Å; L237-F269 HydrophobicContact CD2-CE2 3.85Å; L237-F269 HydrophobicContact CD2-CZ 3.75Å; L237-F269 HydrophobicContact CG-CE2 4.29Å; L237-C274 WeakPolarHBondContact CD1-O 3.37Å
238N92.5Very high96Very high113 Ų11362.8 Ų62.860%0.60432%0.322SS*.SBendtrans-12914.4174.462.70.1000112.6N246 K320N238-N246 PolarHBondContact N-OD1 2.94Å; N238-K320 PolarHBondContact O-NZ 2.56Å
239Y90.7Very high96Very high57 Ų5765.1 Ų65.122%0.22433%0.334CS..SBendtrans-78.2-34.2-173.2-56.8-41.4000113L237 N246 C274 K320 P337 C338L237-Y239 HydrophobicContact CB-CD2 3.85Å; L237-Y239 HydrophobicContact CB-CE2 4.22Å; L237-Y239 HydrophobicContact CB-CG 4.48Å; L237-Y239 HydrophobicContact CD1-CD2 4.05Å; L237-Y239 HydrophobicContact CD1-CE2 4.36Å; L237-Y239 HydrophobicContact CD2-CD2 4.34Å; L237-Y239 HydrophobicContact CD2-CE2 3.94Å; L237-Y239 HydrophobicContact CG-CD2 4.3Å; L237-Y239 HydrophobicContact CG-CE2 4.39Å; Y239-N246 PolarHBondContact N-OD1 2.75Å; Y239-C274 HydrophobicContact CD2-CB 3.87Å; Y239-C274 HydrophobicContact CE2-CB 4.34Å; Y239-K320 WeakPolarHBondContact O-CD 3.23Å; Y239-K320 WeakPolarHBondContact O-CG 3.49Å; Y239-P337 WeakPolarHBondContact CD1-O 3.4Å; Y239-P337 HydrophobicContact CG-CB 4.3Å; Y239-C338 HydrophobicContact CD1-CB 4.21Å; Y239-C338 HydrophobicContact CD2-CB 3.93Å; Y239-C338 HydrophobicContact CE1-CB 3.82Å; Y239-C338 HydrophobicContact CE2-CB 3.48Å; Y239-C338 VanDerWaalsContact CE2-CB 3.48Å; Y239-C338 HydrophobicContact CG-CB 4.28Å; Y239-C338 VanDerWaalsContact CZ-CB 3.43Å
240W94.1Very high95.9Very high1 Ų162.7 Ų62.70%0.00433%0.325CS..SBendtrans-107.6162-169.8-51.7105.4000113T242 A245 N246 C274 R275 F317 P319 K320 P334 P337W240-T242 VanDerWaalsContact C-N 3.3Å; W240-T242 PolarHBondContact O-N 3.07Å; W240-A245 HydrophobicContact CB-CB 3.4Å; W240-A245 HydrophobicContact CD2-CB 4.5Å; W240-A245 HydrophobicContact CG-CB 3.67Å; W240-N246 PolarHBondContact N-OD1 2.65Å; W240-N246 PolarHBondContact O-ND2 2.92Å; W240-C274 HydrophobicContact CZ2-CB 4.06Å; W240-C274 PolarHBondContact NE1-O 3.06Å; W240-R275 HydrophobicContact CZ2-CB 4.28Å; W240-F317 HydrophobicContact CD2-CD1 4.06Å; W240-F317 AromaticContact CE2-CD1 3.96Å; W240-F317 HydrophobicContact CE3-CB 4.33Å; W240-F317 HydrophobicContact CE3-CD1 4.47Å; W240-F317 HydrophobicContact CG-CD1 4.39Å; W240-F317 HydrophobicContact CH2-CB 4.4Å; W240-F317 HydrophobicContact CZ2-CD1 4.26Å; W240-F317 VanDerWaalsContact CZ3-C 3.43Å; W240-F317 HydrophobicContact CZ3-CB 4.17Å; W240-F317 WeakPolarHBondContact CZ3-O 3.47Å; W240-P319 HydrophobicContact CZ3-CG 4.25Å; W240-K320 WeakPolarHBondContact O-CE 3.31Å; W240-K320 PolarHBondContact O-NZ 2.87Å; W240-P334 HydrophobicContact CH2-CG 4.01Å; W240-P334 HydrophobicContact CZ3-CG 4.24Å; W240-P337 HydrophobicContact CE3-CG 4.4Å; W240-P337 HydrophobicContact CH2-CB 4.44Å; W240-P337 HydrophobicContact CH2-CG 3.59Å; W240-P337 HydrophobicContact CZ2-CB 4.5Å; W240-P337 HydrophobicContact CZ2-CG 4.08Å; W240-P337 HydrophobicContact CZ3-CG 3.74Å
241H92.2Very high95.8Very high125 Ų12557.3 Ų57.358%0.57931%0.306SS*.SBendtrans-69.3-25-174.9-76.3-78.2000114.4K320H241-K320 WeakPolarHBondContact NE2-CA 3.35Å
242T95.1Very high95.5Very high54 Ų5458.4 Ų58.433%0.33131%0.313SS..SBendtrans-119.5152.1-172.571.50000111.3W240 Y244 A245 N246 A316W240-T242 VanDerWaalsContact C-N 3.3Å; W240-T242 PolarHBondContact O-N 3.07Å; T242-Y244 PolarHBondContact O-N 2.74Å; T242-A245 PolarHBondContact O-N 3.46Å; T242-A245 PolarHBondContact OG1-N 2.72Å; T242-N246 PolarHBondContact O-N 2.9Å; T242-N246 PolarHBondContact O-ND2 3.34Å; T242-A316 HydrophobicContact CG2-CB 4.18Å; T242-A316 WeakPolarHBondContact OG1-CB 3.14Å
243D96Very high95.1Very high140 Ų14055.4 Ų55.475%0.74930%0.299SS*.THydrogen-bonded Turntrans-60-38175-63.5-20.2000111.3A245 N246 M247D243-A245 PolarHBondContact O-N 2.83Å; D243-N246 CarbonylContact O-C 3.6Å; D243-N246 PolarHBondContact O-N 3.36Å; D243-N246 VanDerWaalsContact O-N 3.09Å; D243-M247 WeakPolarHBondContact O-CG 3.22Å; D243-M247 PolarHBondContact O-N 3.35Å; D243-M247 VanDerWaalsContact O-N 3.1Å
244Y95.7Very high94.5Very high116 Ų11656.1 Ų56.146%0.45530%0.298SS..THydrogen-bonded Turntrans-53.2-50.4175.8170.4-105.8000112.7T242 N246 M247 A316 F317T242-Y244 PolarHBondContact O-N 2.74Å; Y244-N246 PolarHBondContact O-N 2.92Å; Y244-M247 PolarHBondContact O-N 2.8Å; Y244-A316 HydrophobicContact CD1-CB 4.07Å; Y244-F317 AromaticContact CE1-CE2 3.88Å; Y244-F317 HydrophobicContact CE1-CE2 3.88Å; Y244-F317 HydrophobicContact CE1-CZ 4.11Å
245A96Very high94.1Very high2 Ų251.5 Ų51.52%0.01728%0.278CS..THydrogen-bonded Turntrans-71.9-22.2-179.600000113W240 T242 D243 A316 F317W240-A245 HydrophobicContact CB-CB 3.4Å; W240-A245 HydrophobicContact CD2-CB 4.5Å; W240-A245 HydrophobicContact CG-CB 3.67Å; T242-A245 PolarHBondContact O-N 3.46Å; T242-A245 PolarHBondContact OG1-N 2.72Å; D243-A245 PolarHBondContact O-N 2.83Å; A245-A316 HydrophobicContact CB-CB 3.86Å; A245-A316 VanDerWaalsContact CB-O 3.28Å; A245-A316 WeakPolarHBondContact CB-O 3.34Å; A245-F317 VanDerWaalsContact CA-CE1 3.47Å; A245-F317 HydrophobicContact CB-CD1 3.62Å; A245-F317 HydrophobicContact CB-CE1 3.35Å; A245-F317 HydrophobicContact CB-CE2 4.44Å; A245-F317 HydrophobicContact CB-CG 4.3Å; A245-F317 HydrophobicContact CB-CZ 3.8Å
246N97Very high93.9Very high9 Ų947.2 Ų47.25%0.04825%0.252CS..THydrogen-bonded Turntrans-88.9-0177.3-74.1-54.2000114.1L237 N238 Y239 W240 T242 D243 Y244 I248L237-N246 VanDerWaalsContact C-OD1 3.22Å; L237-N246 HydrophobicContact CB-CB 4.07Å; L237-N246 WeakPolarHBondContact CB-OD1 3.41Å; L237-N246 PolarHBondContact N-O 3.16Å; L237-N246 WeakPolarHBondContact O-CB 3.46Å; L237-N246 PolarHBondContact O-OD1 2.78Å; N238-N246 PolarHBondContact N-OD1 2.94Å; Y239-N246 PolarHBondContact N-OD1 2.75Å; W240-N246 PolarHBondContact N-OD1 2.65Å; W240-N246 PolarHBondContact O-ND2 2.92Å; T242-N246 PolarHBondContact O-N 2.9Å; T242-N246 PolarHBondContact O-ND2 3.34Å; D243-N246 CarbonylContact O-C 3.6Å; D243-N246 PolarHBondContact O-N 3.36Å; D243-N246 VanDerWaalsContact O-N 3.09Å; Y244-N246 PolarHBondContact O-N 2.92Å; N246-I248 PolarHBondContact O-N 2.78Å
247M97.9Very high93.8Very high90 Ų9049.1 Ų49.144%0.44325%0.25SS..BIsolated β-bridgetrans-65.2131.2176.6-70.2-177.9168.800111.6D243 Y244 N249 S276D243-M247 WeakPolarHBondContact O-CG 3.22Å; D243-M247 PolarHBondContact O-N 3.35Å; D243-M247 VanDerWaalsContact O-N 3.1Å; Y244-M247 PolarHBondContact O-N 2.8Å; M247-N249 WeakPolarHBondContact CB-ND2 3.38Å; M247-S276 PolarHBondContact O-OG 3.21Å
248I97.9Very high93.7Very high18 Ų1849.5 Ų49.59%0.09225%0.253CS..  trans-88.9103.4167.5-62.6174.3000107V228 L237 N246 F269V228-I248 HydrophobicContact CB-CG2 3.76Å; V228-I248 HydrophobicContact CG1-CG2 3.62Å; L237-I248 HydrophobicContact CD2-CD1 4Å; L237-I248 HydrophobicContact CD2-CG1 3.96Å; L237-I248 HydrophobicContact CG-CD1 4.46Å; L237-I248 HydrophobicContact CG-CG1 3.98Å; N246-I248 PolarHBondContact O-N 2.78Å; I248-F269 HydrophobicContact CG1-CD2 4.42Å; I248-F269 HydrophobicContact CG1-CE2 4.37Å; I248-F269 HydrophobicContact CG1-CZ 4.5Å; I248-F269 HydrophobicContact CG2-CB 3.98Å; I248-F269 HydrophobicContact CG2-CD1 3.86Å; I248-F269 HydrophobicContact CG2-CD2 4.29Å; I248-F269 HydrophobicContact CG2-CE1 4.45Å; I248-F269 HydrophobicContact CG2-CG 3.76Å
249N97.3Very high93.7Very high58 Ų5846.7 Ų46.731%0.3125%0.251SS..  trans-115.2134.6-173.4-73.4-34.7000111.1M247 F267 F268 F269 S276M247-N249 WeakPolarHBondContact CB-ND2 3.38Å; N249-F267 HydrophobicContact CB-CB 4.16Å; N249-F267 HydrophobicContact CB-CD1 4.23Å; N249-F267 HydrophobicContact CB-CG 4.41Å; N249-F268 CarbonylContact O-C 3.59Å; N249-F269 PolarHBondContact O-N 2.91Å; N249-S276 PolarHBondContact N-OG 2.85Å
250G96.6Very high93.9Very high16 Ų1644.4 Ų44.417%0.16524%0.242CC..SBendtrans81.9-151.7171.100000114.3K227 V228 F267K227-G250 CarbonylContact C-O 3.55Å; K227-G250 VanDerWaalsContact CA-O 3.28Å; K227-G250 WeakPolarHBondContact CA-O 3.3Å; V228-G250 PolarHBondContact N-O 2.94Å; G250-F267 VanDerWaalsContact CA-O 3.26Å; G250-F267 WeakPolarHBondContact CA-O 3.28Å
251T95.8Very high94Very high8 Ų850.3 Ų50.35%0.04927%0.27CS..BIsolated β-bridgetrans-106.4179.8-174.177.30000111.9G226 K227 G253 V255 I256 F267 F268 F269G226-T251 WeakPolarHBondContact O-CA 3.47Å; G226-T251 VanDerWaalsContact O-CB 3.24Å; G226-T251 WeakPolarHBondContact O-CB 3.49Å; G226-T251 WeakPolarHBondContact O-CG2 3.43Å; K227-T251 HydrophobicContact CG-CG2 4.48Å; T251-G253 PolarHBondContact O-N 2.78Å; T251-G253 PolarHBondContact OG1-N 3.03Å; T251-V255 WeakPolarHBondContact CB-O 3.44Å; T251-V255 VanDerWaalsContact CG2-O 3.29Å; T251-V255 WeakPolarHBondContact CG2-O 3.42Å; T251-V255 PolarHBondContact OG1-O 2.85Å; T251-I256 HydrophobicContact CG2-CD1 4.41Å; T251-I256 WeakPolarHBondContact OG1-CD1 3.4Å; T251-F267 PolarHBondContact N-O 2.84Å; T251-F268 CarbonylContact O-C 3.59Å; T251-F268 VanDerWaalsContact O-CA 3.27Å; T251-F268 WeakPolarHBondContact O-CA 3.41Å; T251-F269 PolarHBondContact O-N 2.82Å
252D90.8Very high94.2Very high36 Ų3648.7 Ų48.719%0.19326%0.264CS..  trans-77.70.2169.269.9-8.1000113.1R101 Y117 S254R101-D252 IonicContact NH2-OD2 2.72Å; R101-D252 PolarHBondContact NH2-OD2 2.88Å; Y117-D252 PolarHBondContact OH-OD2 2.84Å; D252-S254 VanDerWaalsContact CG-OG 3.28Å; D252-S254 VanDerWaalsContact OD1-CB 3.29Å; D252-S254 WeakPolarHBondContact OD1-CB 3.48Å; D252-S254 PolarHBondContact OD1-N 2.98Å; D252-S254 PolarHBondContact OD1-OG 2.66Å; D252-S254 PolarHBondContact OD2-OG 3.25Å
253G87.8Confident94.3Very high9 Ų951 Ų519%0.09328%0.282CS..SBendtrans83.51.6-17700000115.7T251 F268T251-G253 PolarHBondContact O-N 2.78Å; T251-G253 PolarHBondContact OG1-N 3.03Å; G253-F268 VanDerWaalsContact CA-CD1 3.44Å
254S83.9Confident94.3Very high47 Ų4744.8 Ų44.833%0.32925%0.25SC..SBendtrans-83.3-28.5175.268.60000113.4R101 D252R101-S254 PolarHBondContact NH2-OG 3.36Å; D252-S254 VanDerWaalsContact CG-OG 3.28Å; D252-S254 VanDerWaalsContact OD1-CB 3.29Å; D252-S254 WeakPolarHBondContact OD1-CB 3.48Å; D252-S254 PolarHBondContact OD1-N 2.98Å; D252-S254 PolarHBondContact OD1-OG 2.66Å; D252-S254 PolarHBondContact OD2-OG 3.25Å
255V88.5Confident94.3Very high19 Ų1943.3 Ų43.312%0.11524%0.243CC..  trans-135.9142.3177.5-174.90000108.7V225 T251V225-V255 HydrophobicContact CG1-CG1 4.03Å; V225-V255 HydrophobicContact CG2-CG1 3.95Å; T251-V255 WeakPolarHBondContact CB-O 3.44Å; T251-V255 VanDerWaalsContact CG2-O 3.29Å; T251-V255 WeakPolarHBondContact CG2-O 3.42Å; T251-V255 PolarHBondContact OG1-O 2.85Å
256I94.5Very high94.4Very high5 Ų543.5 Ų43.53%0.02624%0.244CC..  trans-128.6152.5175.3-56.4-63.3000109.1T251 L260 I266 F268 I382 G387 V389T251-I256 HydrophobicContact CG2-CD1 4.41Å; T251-I256 WeakPolarHBondContact OG1-CD1 3.4Å; I256-L260 HydrophobicContact CG2-CD1 3.99Å; I256-L260 HydrophobicContact CG2-CD2 4.11Å; I256-I266 HydrophobicContact CG2-CG2 3.84Å; I256-F268 HydrophobicContact CD1-CD1 4.02Å; I256-F268 HydrophobicContact CD1-CE1 3.25Å; I256-F268 HydrophobicContact CD1-CZ 3.92Å; I256-F268 HydrophobicContact CG1-CE1 4.22Å; I256-I382 HydrophobicContact CG1-CD1 4.16Å; I256-G387 WeakPolarHBondContact CB-O 3.37Å; I256-G387 PolarHBondContact N-O 3.26Å; I256-G387 WeakPolarHBondContact O-CA 3.01Å; I256-V389 HydrophobicContact CG1-CG2 3.96Å
257R94.4Very high94.3Very high97 Ų9747.3 Ų47.337%0.36626%0.26SS..  trans-56.6145.1176.364.1177.5-179.7152.3-1.3111.8L260R257-L260 HydrophobicContact CG-CD2 4.11Å
258P93.6Very high94.2Very high20 Ų2043.7 Ų43.713%0.1324%0.242CC..SBendtrans-70.916717130-35.4000112.1L45 I222 N385L45-P258 HydrophobicContact CD1-CB 3.81Å; L45-P258 HydrophobicContact CD1-CG 4.01Å; I222-P258 HydrophobicContact CB-CG 4.36Å; I222-P258 HydrophobicContact CG1-CG 3.62Å; I222-P258 HydrophobicContact CG2-CG 3.82Å; P258-N385 WeakPolarHBondContact CB-O 3.45Å
259G92Very high94.2Very high53 Ų5343 Ų4355%0.54624%0.239SC..  trans79.133.7173.600000114.1P384G259-P384 CarbonylContact C-O 3.38Å; G259-P384 WeakPolarHBondContact CA-O 3.49Å; G259-P384 PolarHBondContact N-O 2.72Å
260L95.1Very high94.1Very high10 Ų1042.6 Ų42.65%0.05224%0.238CC..  trans-69.9148.1177.3-57.3172.9000111.4I256 R257 I266 L296 F298 I382 P384I256-L260 HydrophobicContact CG2-CD1 3.99Å; I256-L260 HydrophobicContact CG2-CD2 4.11Å; R257-L260 HydrophobicContact CG-CD2 4.11Å; L260-I266 HydrophobicContact CD2-CG2 3.91Å; L260-L296 HydrophobicContact CB-CD1 3.83Å; L260-F298 HydrophobicContact CB-CZ 4.41Å; L260-F298 HydrophobicContact CD1-CE2 3.98Å; L260-F298 HydrophobicContact CD1-CZ 3.98Å; L260-F298 HydrophobicContact CD2-CZ 4.47Å; L260-I382 HydrophobicContact CD1-CB 4.16Å; L260-I382 HydrophobicContact CD1-CD1 4.44Å; L260-I382 HydrophobicContact CD1-CG2 3.58Å; L260-P384 HydrophobicContact CB-CB 4.22Å; L260-P384 PolarHBondContact N-O 2.82Å; L260-P384 WeakPolarHBondContact O-CB 3.42Å
261Q95.9Very high93.9Very high125 Ų12543 Ų4358%0.58424%0.237SC*.  trans-134.4168.3-179.5-62.7-177.5-20.600110S263 S264Q261-S263 PolarHBondContact O-N 2.71Å; Q261-S263 VanDerWaalsContact O-N 3.13Å; Q261-S264 PolarHBondContact N-OG 2.91Å; Q261-S264 WeakPolarHBondContact O-CB 3.23Å; Q261-S264 PolarHBondContact O-N 2.89Å; Q261-S264 PolarHBondContact O-OG 2.78Å; Q261-S264 VanDerWaalsContact O-OG 3.1Å
262M96.4Very high93.7Very high90 Ų9045.9 Ų45.944%0.44325%0.253SS..THydrogen-bonded Turntrans-61.2-21.7178-166.660.3-155.200113.7S264 A281 L296M262-S264 VanDerWaalsContact C-N 3.35Å; M262-A281 WeakPolarHBondContact CE-O 3.36Å; M262-A281 HydrophobicContact SD-CB 4.14Å; M262-L296 HydrophobicContact SD-CD2 4.32Å
263S96.8Very high93.9Very high102 Ų10246.3 Ų46.371%0.71325%0.253SS*.THydrogen-bonded Turntrans-87.91.5173.356.30000113.9Q261Q261-S263 PolarHBondContact O-N 2.71Å; Q261-S263 VanDerWaalsContact O-N 3.13Å
264S96.9Very high94.2Very high11 Ų1145.9 Ų45.98%0.07725%0.248CC..  trans-75.1132.1-174.5-67.10000112Q261 M262 A281 F298Q261-S264 PolarHBondContact N-OG 2.91Å; Q261-S264 WeakPolarHBondContact O-CB 3.23Å; Q261-S264 PolarHBondContact O-N 2.89Å; Q261-S264 PolarHBondContact O-OG 2.78Å; Q261-S264 VanDerWaalsContact O-OG 3.1Å; M262-S264 VanDerWaalsContact C-N 3.35Å; S264-A281 PolarHBondContact O-N 3.08Å; S264-F298 WeakPolarHBondContact O-CE1 3.33Å
265R96.5Very high94.7Very high84 Ų8444.2 Ų44.232%0.31724%0.235SC..EExtended strand (participates in β ladder)trans-103.9135.9161.9-179.2166.7-73.8-162.1-8.7109.4F267 H278 S279 D280 E303R265-F267 HydrophobicContact CG-CE2 3.96Å; R265-F267 HydrophobicContact CG-CZ 4.12Å; R265-H278 HydrophobicContact CG-CB 3.85Å; R265-H278 PolarHBondContact NE-CD2 3.04Å; R265-H278 VanDerWaalsContact NE-CD2 3.34Å; R265-H278 PolarHBondContact NH1-NE2 2.67Å; R265-H278 VanDerWaalsContact NH1-NE2 3.16Å; R265-H278 PolarHBondContact NH2-NE2 2.86Å; R265-S279 WeakPolarHBondContact CA-O 3.23Å; R265-D280 VanDerWaalsContact CB-OD1 3.27Å; R265-D280 WeakPolarHBondContact CB-OD1 3.31Å; R265-D280 VanDerWaalsContact CG-OD1 3.26Å; R265-D280 WeakPolarHBondContact CG-OD1 3.31Å; R265-D280 IonicContact CZ-OD1 3.97Å; R265-D280 IonicContact CZ-OD2 2.84Å; R265-D280 IonicContact NE-OD1 3.43Å; R265-D280 PolarHBondContact NE-OD1 3.37Å; R265-D280 IonicContact NE-OD2 3.19Å; R265-D280 IonicContact NH2-OD1 3.87Å; R265-D280 PolarHBondContact NH2-OD1 3.31Å; R265-D280 IonicContact NH2-OD2 2.73Å; R265-D280 PolarHBondContact NH2-OD2 2.72Å; R265-E303 IonicContact CZ-OE1 3.68Å; R265-E303 VanDerWaalsContact CZ-OE1 3.31Å; R265-E303 IonicContact NH1-OE1 2.83Å; R265-E303 PolarHBondContact NH1-OE1 2.78Å; R265-E303 IonicContact NH2-OE1 3.69Å; R265-E303 PolarHBondContact NH2-OE1 3.43Å
266I96.3Very high95.1Very high7 Ų744 Ų444%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-121.4139.7177.857.1-179.9000109.4I256 L260 F268 H278 S279 F298 I382I256-I266 HydrophobicContact CG2-CG2 3.84Å; L260-I266 HydrophobicContact CD2-CG2 3.91Å; I266-F268 HydrophobicContact CB-CE2 4.32Å; I266-F268 HydrophobicContact CB-CZ 4.28Å; I266-F268 HydrophobicContact CD1-CE1 4.35Å; I266-F268 HydrophobicContact CD1-CE2 3.71Å; I266-F268 HydrophobicContact CD1-CZ 3.29Å; I266-F268 HydrophobicContact CG1-CE2 3.56Å; I266-F268 HydrophobicContact CG1-CZ 3.64Å; I266-H278 CarbonylContact O-C 3.5Å; I266-H278 WeakPolarHBondContact O-CA 3.27Å; I266-H278 VanDerWaalsContact O-CB 3.27Å; I266-H278 WeakPolarHBondContact O-CB 3.46Å; I266-S279 WeakPolarHBondContact CG1-O 3.24Å; I266-S279 PolarHBondContact N-O 3.35Å; I266-S279 PolarHBondContact O-N 2.95Å; I266-F298 HydrophobicContact CB-CE1 4.5Å; I266-F298 HydrophobicContact CD1-CB 4.12Å; I266-F298 HydrophobicContact CD1-CD1 3.39Å; I266-F298 HydrophobicContact CD1-CD2 4.14Å; I266-F298 HydrophobicContact CD1-CE1 3.73Å; I266-F298 HydrophobicContact CD1-CE2 4.42Å; I266-F298 HydrophobicContact CD1-CG 3.62Å; I266-F298 HydrophobicContact CD1-CZ 4.24Å; I266-F298 HydrophobicContact CG1-CD1 3.61Å; I266-F298 HydrophobicContact CG1-CE1 3.84Å; I266-F298 HydrophobicContact CG1-CG 4.33Å; I266-F298 HydrophobicContact CG2-CE1 3.95Å; I266-F298 HydrophobicContact CG2-CZ 4.33Å; I266-I382 HydrophobicContact CD1-CD1 3.52Å
267F96.7Very high95.2Very high88 Ų8845 Ų4539%0.38624%0.238SC..EExtended strand (participates in β ladder)trans-109.3148.3-178.5-67.9-92.9000110.1N249 G250 T251 R265 F277 H278N249-F267 HydrophobicContact CB-CB 4.16Å; N249-F267 HydrophobicContact CB-CD1 4.23Å; N249-F267 HydrophobicContact CB-CG 4.41Å; G250-F267 VanDerWaalsContact CA-O 3.26Å; G250-F267 WeakPolarHBondContact CA-O 3.28Å; T251-F267 PolarHBondContact N-O 2.84Å; R265-F267 HydrophobicContact CG-CE2 3.96Å; R265-F267 HydrophobicContact CG-CZ 4.12Å; F267-F277 CarbonylContact C-O 3.52Å; F267-F277 VanDerWaalsContact CA-O 3.31Å; F267-F277 WeakPolarHBondContact CA-O 3.34Å; F267-H278 HydrophobicContact CD1-CB 3.72Å; F267-H278 HydrophobicContact CE1-CB 3.79Å; F267-H278 HydrophobicContact CG-CB 4.23Å; F267-H278 HydrophobicContact CZ-CB 4.36Å
268F95.5Very high95.2Very high15 Ų1541.3 Ų41.37%0.06623%0.225CC..EExtended strand (participates in β ladder)trans-140.6140.1177.3-49.5-89.2000110.4N249 T251 G253 I256 I266 S276 F277 L380N249-F268 CarbonylContact O-C 3.59Å; T251-F268 CarbonylContact O-C 3.59Å; T251-F268 VanDerWaalsContact O-CA 3.27Å; T251-F268 WeakPolarHBondContact O-CA 3.41Å; G253-F268 VanDerWaalsContact CA-CD1 3.44Å; I256-F268 HydrophobicContact CD1-CD1 4.02Å; I256-F268 HydrophobicContact CD1-CE1 3.25Å; I256-F268 HydrophobicContact CD1-CZ 3.92Å; I256-F268 HydrophobicContact CG1-CE1 4.22Å; I266-F268 HydrophobicContact CB-CE2 4.32Å; I266-F268 HydrophobicContact CB-CZ 4.28Å; I266-F268 HydrophobicContact CD1-CE1 4.35Å; I266-F268 HydrophobicContact CD1-CE2 3.71Å; I266-F268 HydrophobicContact CD1-CZ 3.29Å; I266-F268 HydrophobicContact CG1-CE2 3.56Å; I266-F268 HydrophobicContact CG1-CZ 3.64Å; F268-S276 CarbonylContact O-C 3.46Å; F268-S276 VanDerWaalsContact O-CA 3.23Å; F268-S276 WeakPolarHBondContact O-CA 3.32Å; F268-F277 PolarHBondContact N-O 3Å; F268-F277 PolarHBondContact O-N 2.97Å; F268-L380 HydrophobicContact CE1-CD1 4.03Å; F268-L380 HydrophobicContact CE2-CD1 3.87Å; F268-L380 HydrophobicContact CZ-CD1 3.32Å
269F97.2Very high95.3Very high4 Ų440.7 Ų40.72%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-95.8124.4169173.1-122.9000109.2F213 V228 Y231 L237 I248 N249 T251 P271F213-F269 HydrophobicContact CE1-CD1 4.36Å; F213-F269 HydrophobicContact CE1-CE1 4.48Å; V228-F269 HydrophobicContact CG1-CD1 4.32Å; Y231-F269 AromaticContact CD1-CE1 3.83Å; Y231-F269 HydrophobicContact CD1-CE1 3.83Å; Y231-F269 AromaticContact CD1-CZ 3.79Å; Y231-F269 HydrophobicContact CD1-CZ 3.79Å; Y231-F269 AromaticContact CD2-CE1 3.76Å; Y231-F269 HydrophobicContact CD2-CE1 3.76Å; Y231-F269 HydrophobicContact CD2-CZ 4.47Å; Y231-F269 HydrophobicContact CE1-CE1 4.39Å; Y231-F269 HydrophobicContact CE1-CZ 4.17Å; Y231-F269 HydrophobicContact CE2-CE1 4.3Å; Y231-F269 AromaticContact CG-CE1 3.49Å; Y231-F269 HydrophobicContact CG-CE1 3.49Å; Y231-F269 VanDerWaalsContact CG-CE1 3.49Å; Y231-F269 AromaticContact CG-CZ 3.96Å; Y231-F269 HydrophobicContact CG-CZ 3.96Å; L237-F269 HydrophobicContact CD1-CE2 3.78Å; L237-F269 HydrophobicContact CD2-CE2 3.85Å; L237-F269 HydrophobicContact CD2-CZ 3.75Å; L237-F269 HydrophobicContact CG-CE2 4.29Å; I248-F269 HydrophobicContact CG1-CD2 4.42Å; I248-F269 HydrophobicContact CG1-CE2 4.37Å; I248-F269 HydrophobicContact CG1-CZ 4.5Å; I248-F269 HydrophobicContact CG2-CB 3.98Å; I248-F269 HydrophobicContact CG2-CD1 3.86Å; I248-F269 HydrophobicContact CG2-CD2 4.29Å; I248-F269 HydrophobicContact CG2-CE1 4.45Å; I248-F269 HydrophobicContact CG2-CG 3.76Å; N249-F269 PolarHBondContact O-N 2.91Å; T251-F269 PolarHBondContact O-N 2.82Å; F269-P271 HydrophobicContact CD1-CG 4.1Å; F269-P271 HydrophobicContact CE1-CB 4.16Å; F269-P271 HydrophobicContact CE1-CG 3.6Å; F269-P271 HydrophobicContact CZ-CB 4.07Å; F269-P271 HydrophobicContact CZ-CG 4Å; F269-P271 WeakPolarHBondContact O-CD 3.45Å
270V95Very high95.6Very high48 Ų4839.6 Ų39.629%0.29120%0.203SC..EExtended strand (participates in β ladder)trans-117.994.8-178.7-174.80000108.4D272 F273 C274 R275 F277V270-D272 PolarHBondContact O-N 2.88Å; V270-F273 HydrophobicContact CB-CB 4.15Å; V270-F273 HydrophobicContact CG1-CB 3.97Å; V270-F273 HydrophobicContact CG1-CD2 3.61Å; V270-F273 HydrophobicContact CG1-CE2 4.28Å; V270-F273 HydrophobicContact CG1-CG 3.92Å; V270-F273 PolarHBondContact O-N 3.1Å; V270-C274 PolarHBondContact O-N 2.87Å; V270-R275 PolarHBondContact N-O 2.92Å; V270-R275 VanDerWaalsContact N-O 3.14Å; V270-F277 HydrophobicContact CB-CD2 4.26Å; V270-F277 HydrophobicContact CB-CE2 4.37Å; V270-F277 HydrophobicContact CG2-CD2 4Å
271P93.7Very high95.7Very high24 Ų2439.6 Ų39.616%0.15620%0.204CC..G310 helixtrans-57-36.4-174.2-21.425.4000114.1F213 Y231 F269 F273 C274 C338F213-P271 HydrophobicContact CE1-CG 4.45Å; F213-P271 HydrophobicContact CZ-CG 3.85Å; Y231-P271 HydrophobicContact CD2-CG 4.3Å; Y231-P271 HydrophobicContact CE1-CB 4.28Å; Y231-P271 HydrophobicContact CE2-CB 3.77Å; Y231-P271 HydrophobicContact CE2-CG 3.75Å; Y231-P271 WeakPolarHBondContact OH-CB 3.26Å; F269-P271 HydrophobicContact CD1-CG 4.1Å; F269-P271 HydrophobicContact CE1-CB 4.16Å; F269-P271 HydrophobicContact CE1-CG 3.6Å; F269-P271 HydrophobicContact CZ-CB 4.07Å; F269-P271 HydrophobicContact CZ-CG 4Å; F269-P271 WeakPolarHBondContact O-CD 3.45Å; P271-F273 PolarHBondContact O-N 2.84Å; P271-C274 PolarHBondContact O-N 2.85Å; P271-C274 VanDerWaalsContact O-N 3.11Å; P271-C338 PolarHBondContact O-SG 2.76Å
272D91.3Very high95.7Very high70 Ų7037.4 Ų37.437%0.37420%0.2SC..G310 helixtrans-70.1-14.3179.8-72-28.4000113.4K205 K209 V270K205-D272 IonicContact NZ-OD1 2.71Å; K205-D272 PolarHBondContact NZ-OD1 2.78Å; K205-D272 IonicContact NZ-OD2 3.31Å; K209-D272 IonicContact NZ-OD1 2.89Å; K209-D272 PolarHBondContact NZ-OD1 2.93Å; V270-D272 PolarHBondContact O-N 2.88Å
273F93.8Very high95.7Very high44 Ų4434 Ų3419%0.19319%0.187CC..G310 helixtrans-1044.7175.4-76.8-133.1000112.1V270 P271 R275 F277 I333 L335 A349 V396V270-F273 HydrophobicContact CB-CB 4.15Å; V270-F273 HydrophobicContact CG1-CB 3.97Å; V270-F273 HydrophobicContact CG1-CD2 3.61Å; V270-F273 HydrophobicContact CG1-CE2 4.28Å; V270-F273 HydrophobicContact CG1-CG 3.92Å; V270-F273 PolarHBondContact O-N 3.1Å; P271-F273 PolarHBondContact O-N 2.84Å; F273-R275 WeakPolarHBondContact O-CG 3.48Å; F273-R275 PolarHBondContact O-N 3.42Å; F273-F277 HydrophobicContact CB-CE2 3.58Å; F273-F277 HydrophobicContact CB-CZ 4.07Å; F273-F277 AromaticContact CD1-CE2 3.7Å; F273-F277 HydrophobicContact CD1-CE2 3.7Å; F273-F277 AromaticContact CD1-CZ 3.7Å; F273-F277 HydrophobicContact CD1-CZ 3.7Å; F273-F277 HydrophobicContact CG-CE2 4Å; F273-F277 HydrophobicContact CG-CZ 4.37Å; F273-I333 HydrophobicContact CD1-CD1 4.23Å; F273-I333 HydrophobicContact CD1-CG2 4.24Å; F273-I333 HydrophobicContact CE1-CD1 4.27Å; F273-L335 HydrophobicContact CB-CD2 4.34Å; F273-L335 HydrophobicContact CD2-CD2 4.44Å; F273-L335 HydrophobicContact CG-CD2 4.17Å; F273-A349 HydrophobicContact CD1-CB 4.28Å; F273-A349 HydrophobicContact CE1-CB 3.76Å; F273-A349 HydrophobicContact CZ-CB 4Å; F273-V396 HydrophobicContact CE1-CG2 4.27Å; F273-V396 HydrophobicContact CE2-CG2 4.19Å; F273-V396 HydrophobicContact CZ-CB 3.93Å; F273-V396 HydrophobicContact CZ-CG2 3.46Å; F273-V396 VanDerWaalsContact CZ-CG2 3.46Å
274C94.1Very high95.7Very high0 Ų036.6 Ų36.60%018%0.182CC..THydrogen-bonded Turntrans61.315176.7-36.50000114.6L237 Y239 W240 V270 P271 P337 C338L237-C274 WeakPolarHBondContact CD1-O 3.37Å; Y239-C274 HydrophobicContact CD2-CB 3.87Å; Y239-C274 HydrophobicContact CE2-CB 4.34Å; W240-C274 HydrophobicContact CZ2-CB 4.06Å; W240-C274 PolarHBondContact NE1-O 3.06Å; V270-C274 PolarHBondContact O-N 2.87Å; P271-C274 PolarHBondContact O-N 2.85Å; P271-C274 VanDerWaalsContact O-N 3.11Å; C274-P337 HydrophobicContact CB-CB 4.31Å; C274-C338 WeakPolarHBondContact CA-SG 3.26Å; C274-C338 HydrophobicContact CB-CB 3.61Å; C274-C338 WeakPolarHBondContact CB-SG 3.44Å; C274-C338 PolarHBondContact N-SG 3.12Å; C274-C338 VanDerWaalsContact N-SG 3.44Å; C274-C338 VanDerWaalsContact SG-CA 3.59Å; C274-C338 WeakPolarHBondContact SG-CB 3.28Å; C274-C338 PolarHBondContact SG-N 2.76Å; C274-C338 CovalentContact SG-SG 2.02Å; C274-C338 PolarHBondContact SG-SG 2.98Å
275R95.6Very high95.7Very high13 Ų1337.3 Ų37.35%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-160.5173.3-176.568-178.4-78.7-173.2-3.8113W240 V270 F273 F277 F317W240-R275 HydrophobicContact CZ2-CB 4.28Å; V270-R275 PolarHBondContact N-O 2.92Å; V270-R275 VanDerWaalsContact N-O 3.14Å; F273-R275 WeakPolarHBondContact O-CG 3.48Å; F273-R275 PolarHBondContact O-N 3.42Å; R275-F277 HydrophobicContact CG-CD2 4.3Å; R275-F277 HydrophobicContact CG-CE1 4.22Å; R275-F277 HydrophobicContact CG-CE2 3.53Å; R275-F277 HydrophobicContact CG-CZ 3.47Å; R275-F277 VanDerWaalsContact CG-CZ 3.47Å; R275-F317 HydrophobicContact CB-CD1 4.36Å; R275-F317 HydrophobicContact CB-CE1 4.06Å; R275-F317 VanDerWaalsContact CZ-CE2 3.42Å; R275-F317 VanDerWaalsContact NH2-CD2 3.32Å
276S96.8Very high95.7Very high13 Ų1335.8 Ų35.89%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-92.2151.4170-52.10000111.7M247 N249 F268M247-S276 PolarHBondContact O-OG 3.21Å; N249-S276 PolarHBondContact N-OG 2.85Å; F268-S276 CarbonylContact O-C 3.46Å; F268-S276 VanDerWaalsContact O-CA 3.23Å; F268-S276 WeakPolarHBondContact O-CA 3.32Å
277F95.5Very high95.7Very high27 Ų2735.6 Ų35.612%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-130.3170.5175.1-65.3-83.7000110.9F267 F268 V270 F273 R275 Q304 I333F267-F277 CarbonylContact C-O 3.52Å; F267-F277 VanDerWaalsContact CA-O 3.31Å; F267-F277 WeakPolarHBondContact CA-O 3.34Å; F268-F277 PolarHBondContact N-O 3Å; F268-F277 PolarHBondContact O-N 2.97Å; V270-F277 HydrophobicContact CB-CD2 4.26Å; V270-F277 HydrophobicContact CB-CE2 4.37Å; V270-F277 HydrophobicContact CG2-CD2 4Å; F273-F277 HydrophobicContact CB-CE2 3.58Å; F273-F277 HydrophobicContact CB-CZ 4.07Å; F273-F277 AromaticContact CD1-CE2 3.7Å; F273-F277 HydrophobicContact CD1-CE2 3.7Å; F273-F277 AromaticContact CD1-CZ 3.7Å; F273-F277 HydrophobicContact CD1-CZ 3.7Å; F273-F277 HydrophobicContact CG-CE2 4Å; F273-F277 HydrophobicContact CG-CZ 4.37Å; R275-F277 HydrophobicContact CG-CD2 4.3Å; R275-F277 HydrophobicContact CG-CE1 4.22Å; R275-F277 HydrophobicContact CG-CE2 3.53Å; R275-F277 HydrophobicContact CG-CZ 3.47Å; R275-F277 VanDerWaalsContact CG-CZ 3.47Å; F277-Q304 VanDerWaalsContact CA-OE1 3.25Å; F277-I333 HydrophobicContact CE1-CD1 3.77Å; F277-I333 HydrophobicContact CZ-CD1 3.87Å; F277-I333 HydrophobicContact CZ-CG2 4.18Å
278H95.4Very high95.6Very high20 Ų2035 Ų359%0.09319%0.191CC..EExtended strand (participates in β ladder)trans-132.5159.1168.662.6-97.2000112.9R265 I266 F267 E303 Q304R265-H278 HydrophobicContact CG-CB 3.85Å; R265-H278 PolarHBondContact NE-CD2 3.04Å; R265-H278 VanDerWaalsContact NE-CD2 3.34Å; R265-H278 PolarHBondContact NH1-NE2 2.67Å; R265-H278 VanDerWaalsContact NH1-NE2 3.16Å; R265-H278 PolarHBondContact NH2-NE2 2.86Å; I266-H278 CarbonylContact O-C 3.5Å; I266-H278 WeakPolarHBondContact O-CA 3.27Å; I266-H278 VanDerWaalsContact O-CB 3.27Å; I266-H278 WeakPolarHBondContact O-CB 3.46Å; F267-H278 HydrophobicContact CD1-CB 3.72Å; F267-H278 HydrophobicContact CE1-CB 3.79Å; F267-H278 HydrophobicContact CG-CB 4.23Å; F267-H278 HydrophobicContact CZ-CB 4.36Å; H278-E303 IonicContact CD2-OE1 2.66Å; H278-E303 IonicContact CE1-OE1 2.98Å; H278-E303 PolarHBondContact CE1-OE1 3.35Å; H278-E303 IonicContact NE2-OE1 3.44Å; H278-E303 PolarHBondContact NE2-OE1 3.07Å; H278-Q304 WeakPolarHBondContact CE1-CG 3.47Å; H278-Q304 PolarHBondContact ND1-OE1 2.71Å; H278-Q304 PolarHBondContact O-NE2 3.19Å
279S96Very high95.5Very high7 Ų738.3 Ų38.35%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-132147.5169.9-56.30000109.6R265 I266 A299R265-S279 WeakPolarHBondContact CA-O 3.23Å; I266-S279 WeakPolarHBondContact CG1-O 3.24Å; I266-S279 PolarHBondContact N-O 3.35Å; I266-S279 PolarHBondContact O-N 2.95Å; S279-A299 VanDerWaalsContact CA-O 3.32Å; S279-A299 WeakPolarHBondContact CA-O 3.17Å; S279-A299 WeakPolarHBondContact CB-O 3.28Å
280D96.6Very high95.3Very high29 Ų2940.4 Ų40.416%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-110.2149.2178.7-63.9-40.1000109.8R265 V282 F298 A299 H301R265-D280 VanDerWaalsContact CB-OD1 3.27Å; R265-D280 WeakPolarHBondContact CB-OD1 3.31Å; R265-D280 VanDerWaalsContact CG-OD1 3.26Å; R265-D280 WeakPolarHBondContact CG-OD1 3.31Å; R265-D280 IonicContact CZ-OD1 3.97Å; R265-D280 IonicContact CZ-OD2 2.84Å; R265-D280 IonicContact NE-OD1 3.43Å; R265-D280 PolarHBondContact NE-OD1 3.37Å; R265-D280 IonicContact NE-OD2 3.19Å; R265-D280 IonicContact NH2-OD1 3.87Å; R265-D280 PolarHBondContact NH2-OD1 3.31Å; R265-D280 IonicContact NH2-OD2 2.73Å; R265-D280 PolarHBondContact NH2-OD2 2.72Å; D280-V282 PolarHBondContact O-N 3.44Å; D280-F298 VanDerWaalsContact O-CA 3.27Å; D280-F298 WeakPolarHBondContact O-CA 3.43Å; D280-A299 PolarHBondContact N-O 3.1Å; D280-A299 PolarHBondContact O-N 2.99Å; D280-A299 VanDerWaalsContact O-N 3.14Å; D280-H301 IonicContact OD2-CD2 3.98Å; D280-H301 IonicContact OD2-CG 3.19Å
281A97.4Very high95.2Very high10 Ų1042.7 Ų42.78%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-66.9122.2169.900000109.2M262 S264 R297 F298M262-A281 WeakPolarHBondContact CE-O 3.36Å; M262-A281 HydrophobicContact SD-CB 4.14Å; S264-A281 PolarHBondContact O-N 3.08Å; A281-R297 WeakPolarHBondContact CA-O 3.41Å; A281-F298 HydrophobicContact CB-CD1 4.26Å; A281-F298 HydrophobicContact CB-CE1 3.83Å; A281-F298 HydrophobicContact CB-CE2 4.4Å; A281-F298 HydrophobicContact CB-CZ 3.9Å
282V95.9Very high95Very high80 Ų8043.9 Ų43.949%0.48525%0.253SS..EExtended strand (participates in β ladder)trans-116.2-6.5-175.9-64.10000113.5D280 R297 A299D280-V282 PolarHBondContact O-N 3.44Å; V282-R297 HydrophobicContact CG2-CB 4.33Å; V282-R297 HydrophobicContact CG2-CG 3.89Å; V282-R297 WeakPolarHBondContact CG2-O 3.38Å; V282-R297 PolarHBondContact N-O 3.4Å; V282-A299 HydrophobicContact CG1-CB 4.21Å; V282-A299 HydrophobicContact CG2-CB 3.9Å
283G96.7Very high95.2Very high18 Ų1840.5 Ų40.519%0.18624%0.235CC..EExtended strand (participates in β ladder)trans170.3-171.7170.100000113.6R297G283-R297 PolarHBondContact O-N 2.84Å
284W97Very high95.2Very high156 Ų15644 Ų4459%0.59125%0.252SS*.EExtended strand (participates in β ladder)trans-101.3149.5174-69.495.8000111.2H294 L295 L296 P384W284-H294 HydrophobicContact CE3-CB 4.43Å; W284-H294 HydrophobicContact CZ3-CB 4.45Å; W284-L295 WeakPolarHBondContact CA-O 3.41Å; W284-L296 HydrophobicContact CD2-CD2 3.76Å; W284-L296 HydrophobicContact CE3-CD2 3.84Å; W284-L296 HydrophobicContact CE3-CG 4.29Å; W284-L296 HydrophobicContact CH2-CD2 3.71Å; W284-L296 HydrophobicContact CH2-CG 4.01Å; W284-L296 HydrophobicContact CZ2-CD2 3.63Å; W284-L296 HydrophobicContact CZ2-CG 4.41Å; W284-L296 HydrophobicContact CZ3-CD2 3.82Å; W284-L296 HydrophobicContact CZ3-CG 3.94Å; W284-P384 HydrophobicContact CH2-CG 4.16Å; W284-P384 HydrophobicContact CZ3-CG 4.05Å
285A96.5Very high95.4Very high26 Ų2644 Ų4422%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-140.8173171.600000109.9L295 L381A285-L295 PolarHBondContact N-O 2.76Å; A285-L295 PolarHBondContact O-N 3.24Å; A285-L381 HydrophobicContact CB-CD1 4.3Å; A285-L381 HydrophobicContact CB-CD2 4.1Å
286T96.2Very high95.5Very high52 Ų5243.3 Ų43.332%0.31925%0.249SC..EExtended strand (participates in β ladder)trans-116.9150168.953.30000109.5T288 V293T286-T288 PolarHBondContact O-N 3.15Å; T286-V293 WeakPolarHBondContact CA-O 3.26Å
287A96.1Very high95.5Very high3 Ų346.3 Ų46.33%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-61.8137.4175.400000111H289 D290 V293 L295 E391 L437A287-H289 PolarHBondContact O-N 2.77Å; A287-D290 CarbonylContact O-C 3.57Å; A287-D290 PolarHBondContact O-N 3.46Å; A287-V293 HydrophobicContact CB-CB 3.95Å; A287-V293 HydrophobicContact CB-CG1 4.19Å; A287-V293 PolarHBondContact N-O 3.46Å; A287-L295 HydrophobicContact CB-CD1 3.95Å; A287-E391 WeakPolarHBondContact CA-OE1 3.31Å; A287-L437 HydrophobicContact CB-CD1 3.88Å; A287-L437 HydrophobicContact CB-CD2 3.93Å
288T94.4Very high95.6Very high76 Ų7645 Ų4547%0.46625%0.253SS..THydrogen-bonded Turntrans-53.1-36.9-179.3-66.30000112.1T286 E391 V431T286-T288 PolarHBondContact O-N 3.15Å; T288-E391 VanDerWaalsContact CB-OE1 3.29Å; T288-E391 WeakPolarHBondContact CB-OE1 3.46Å; T288-E391 PolarHBondContact N-OE1 2.83Å; T288-E391 PolarHBondContact OG1-OE1 2.84Å; T288-E391 PolarHBondContact OG1-OE2 3.21Å; T288-V431 HydrophobicContact CG2-CG1 4.46Å
289H93.9Very high95.6Very high84 Ų8444.9 Ų44.939%0.38926%0.255SS..THydrogen-bonded Turntrans-105.92.5-176.9-57.4120.3000115A287 A432 K434 L437A287-H289 PolarHBondContact O-N 2.77Å; H289-A432 PolarHBondContact ND1-O 2.02Å; H289-K434 HydrophobicContact CB-CG 3.94Å; H289-L437 HydrophobicContact CB-CD1 3.72Å
290D93.7Very high95.4Very high48 Ų4846.8 Ų46.826%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-158102.1174.6-172.3-15.1000110.6A287 G292 V293 L437A287-D290 CarbonylContact O-C 3.57Å; A287-D290 PolarHBondContact O-N 3.46Å; D290-G292 PolarHBondContact O-N 3.26Å; D290-G292 VanDerWaalsContact O-N 3.11Å; D290-G292 WeakPolarHBondContact OD1-CA 3.46Å; D290-G292 PolarHBondContact OD1-N 3.1Å; D290-V293 HydrophobicContact CB-CG2 4.01Å; D290-V293 PolarHBondContact O-N 3.04Å; D290-L437 HydrophobicContact CB-CB 4.22Å; D290-L437 HydrophobicContact CB-CD1 3.75Å
291S91.9Very high95Very high96 Ų9649.3 Ų49.367%0.67128%0.279SS*.EExtended strand (participates in β ladder)trans-66.2-12.7-179.963.50000113.9V293S291-V293 VanDerWaalsContact C-N 3.3Å
292G91.1Very high94.6Very high49 Ų4952.8 Ų52.851%0.50530%0.301SS..EExtended strand (participates in β ladder)trans-79.7-10.1173.500000114D290D290-G292 PolarHBondContact O-N 3.26Å; D290-G292 VanDerWaalsContact O-N 3.11Å; D290-G292 WeakPolarHBondContact OD1-CA 3.46Å; D290-G292 PolarHBondContact OD1-N 3.1Å
293V94.1Very high94.5Very high0 Ų051.4 Ų51.40%029%0.289CS..EExtended strand (participates in β ladder)trans-98.5107.4177.1179.80000109.3T286 A287 D290 S291 L295 L390 L437 L445T286-V293 WeakPolarHBondContact CA-O 3.26Å; A287-V293 HydrophobicContact CB-CB 3.95Å; A287-V293 HydrophobicContact CB-CG1 4.19Å; A287-V293 PolarHBondContact N-O 3.46Å; D290-V293 HydrophobicContact CB-CG2 4.01Å; D290-V293 PolarHBondContact O-N 3.04Å; S291-V293 VanDerWaalsContact C-N 3.3Å; V293-L295 HydrophobicContact CG1-CD2 4.02Å; V293-L390 HydrophobicContact CG1-CD1 3.78Å; V293-L437 HydrophobicContact CG1-CD2 4.32Å; V293-L437 HydrophobicContact CG2-CD2 4.45Å; V293-L445 HydrophobicContact CG1-CD1 4.11Å; V293-L445 HydrophobicContact CG2-CD1 4.16Å
294H95.1Very high94.3Very high116 Ų11651.1 Ų51.154%0.53728%0.283SS..EExtended strand (participates in β ladder)trans-85.3137.7177-60.3-66.8000111.5W284W284-H294 HydrophobicContact CE3-CB 4.43Å; W284-H294 HydrophobicContact CZ3-CB 4.45Å
295L97Very high94.1Very high0 Ų045.1 Ų45.10%027%0.265CS..EExtended strand (participates in β ladder)trans-128.4146.2-176-56.1175.2000110.4W284 A285 A287 V293 L381 I382 E383 L390W284-L295 WeakPolarHBondContact CA-O 3.41Å; A285-L295 PolarHBondContact N-O 2.76Å; A285-L295 PolarHBondContact O-N 3.24Å; A287-L295 HydrophobicContact CB-CD1 3.95Å; V293-L295 HydrophobicContact CG1-CD2 4.02Å; L295-L381 HydrophobicContact CB-CB 4.06Å; L295-L381 HydrophobicContact CD1-CB 3.63Å; L295-L381 HydrophobicContact CD1-CD1 4.36Å; L295-L381 HydrophobicContact CG-CB 4.43Å; L295-I382 WeakPolarHBondContact CA-O 3.27Å; L295-E383 HydrophobicContact CD2-CB 3.93Å; L295-E383 HydrophobicContact CD2-CG 4.47Å; L295-L390 HydrophobicContact CD1-CB 4.28Å; L295-L390 HydrophobicContact CD2-CB 4.2Å; L295-L390 HydrophobicContact CD2-CD1 3.6Å; L295-L390 HydrophobicContact CD2-CG 3.98Å
296L97.7Very high94.1Very high0 Ų047 Ų470%027%0.269CS..EExtended strand (participates in β ladder)trans-85129.2164.3-76.1176.8000109.1L260 M262 W284 F298 L381 I382 P384L260-L296 HydrophobicContact CB-CD1 3.83Å; M262-L296 HydrophobicContact SD-CD2 4.32Å; W284-L296 HydrophobicContact CD2-CD2 3.76Å; W284-L296 HydrophobicContact CE3-CD2 3.84Å; W284-L296 HydrophobicContact CE3-CG 4.29Å; W284-L296 HydrophobicContact CH2-CD2 3.71Å; W284-L296 HydrophobicContact CH2-CG 4.01Å; W284-L296 HydrophobicContact CZ2-CD2 3.63Å; W284-L296 HydrophobicContact CZ2-CG 4.41Å; W284-L296 HydrophobicContact CZ3-CD2 3.82Å; W284-L296 HydrophobicContact CZ3-CG 3.94Å; L296-F298 HydrophobicContact CB-CD2 4.15Å; L296-F298 HydrophobicContact CB-CE2 3.58Å; L296-F298 HydrophobicContact CB-CZ 4.43Å; L296-F298 HydrophobicContact CD1-CE2 4.26Å; L296-F298 HydrophobicContact CD1-CZ 4.39Å; L296-L381 WeakPolarHBondContact O-CA 3.39Å; L296-I382 PolarHBondContact N-O 3.36Å; L296-I382 PolarHBondContact O-N 3.29Å; L296-P384 HydrophobicContact CD1-CB 3.87Å; L296-P384 HydrophobicContact CG-CB 4.22Å
297R97.7Very high94Very high75 Ų7546.4 Ų46.428%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-86120173.1-177.6-177.5173.9112.5-7108.9A281 V282 G283 I379 L381A281-R297 WeakPolarHBondContact CA-O 3.41Å; V282-R297 HydrophobicContact CG2-CB 4.33Å; V282-R297 HydrophobicContact CG2-CG 3.89Å; V282-R297 WeakPolarHBondContact CG2-O 3.38Å; V282-R297 PolarHBondContact N-O 3.4Å; G283-R297 PolarHBondContact O-N 2.84Å; R297-I379 HydrophobicContact CG-CG2 3.79Å; R297-L381 HydrophobicContact CB-CD2 3.75Å; R297-L381 HydrophobicContact CG-CD2 3.76Å
298F96.9Very high94Very high0 Ų047.5 Ų47.50%027%0.273CS..EExtended strand (participates in β ladder)trans-107.4139.2172.9-73.1-98.6000110.6L260 S264 I266 D280 A281 L296 I379 L380 I382L260-F298 HydrophobicContact CB-CZ 4.41Å; L260-F298 HydrophobicContact CD1-CE2 3.98Å; L260-F298 HydrophobicContact CD1-CZ 3.98Å; L260-F298 HydrophobicContact CD2-CZ 4.47Å; S264-F298 WeakPolarHBondContact O-CE1 3.33Å; I266-F298 HydrophobicContact CB-CE1 4.5Å; I266-F298 HydrophobicContact CD1-CB 4.12Å; I266-F298 HydrophobicContact CD1-CD1 3.39Å; I266-F298 HydrophobicContact CD1-CD2 4.14Å; I266-F298 HydrophobicContact CD1-CE1 3.73Å; I266-F298 HydrophobicContact CD1-CE2 4.42Å; I266-F298 HydrophobicContact CD1-CG 3.62Å; I266-F298 HydrophobicContact CD1-CZ 4.24Å; I266-F298 HydrophobicContact CG1-CD1 3.61Å; I266-F298 HydrophobicContact CG1-CE1 3.84Å; I266-F298 HydrophobicContact CG1-CG 4.33Å; I266-F298 HydrophobicContact CG2-CE1 3.95Å; I266-F298 HydrophobicContact CG2-CZ 4.33Å; D280-F298 VanDerWaalsContact O-CA 3.27Å; D280-F298 WeakPolarHBondContact O-CA 3.43Å; A281-F298 HydrophobicContact CB-CD1 4.26Å; A281-F298 HydrophobicContact CB-CE1 3.83Å; A281-F298 HydrophobicContact CB-CE2 4.4Å; A281-F298 HydrophobicContact CB-CZ 3.9Å; L296-F298 HydrophobicContact CB-CD2 4.15Å; L296-F298 HydrophobicContact CB-CE2 3.58Å; L296-F298 HydrophobicContact CB-CZ 4.43Å; L296-F298 HydrophobicContact CD1-CE2 4.26Å; L296-F298 HydrophobicContact CD1-CZ 4.39Å; F298-I379 WeakPolarHBondContact O-CA 3.36Å; F298-L380 HydrophobicContact CB-CB 4.24Å; F298-L380 PolarHBondContact N-O 2.9Å; F298-L380 PolarHBondContact O-N 2.83Å; F298-I382 HydrophobicContact CD2-CB 4.29Å; F298-I382 HydrophobicContact CD2-CD1 3.62Å; F298-I382 HydrophobicContact CD2-CG1 3.91Å; F298-I382 HydrophobicContact CE2-CB 4.21Å; F298-I382 HydrophobicContact CE2-CD1 3.9Å; F298-I382 HydrophobicContact CE2-CG1 4.26Å; F298-I382 HydrophobicContact CG-CD1 4.22Å
299A95.2Very high93.9Very high18 Ų1849.8 Ų49.815%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-138.8155175.300000110.4S279 D280 V282S279-A299 VanDerWaalsContact CA-O 3.32Å; S279-A299 WeakPolarHBondContact CA-O 3.17Å; S279-A299 WeakPolarHBondContact CB-O 3.28Å; D280-A299 PolarHBondContact N-O 3.1Å; D280-A299 PolarHBondContact O-N 2.99Å; D280-A299 VanDerWaalsContact O-N 3.14Å; V282-A299 HydrophobicContact CG1-CB 4.21Å; V282-A299 HydrophobicContact CG2-CB 3.9Å
300S91.4Very high94Very high47 Ų4750 Ų5033%0.32930%0.295SS..EExtended strand (participates in β ladder)trans-67.8132.3176.3-62.30000111.1
301H89.6Confident94.1Very high81 Ų8149 Ų4938%0.37529%0.289SS..  trans-78.2133.7175.6-162.8-86.5000110.7D280 E303 Q304D280-H301 IonicContact OD2-CD2 3.98Å; D280-H301 IonicContact OD2-CG 3.19Å; H301-E303 HydrophobicContact CB-CG 4.19Å; H301-E303 IonicContact CE1-OE2 3.59Å; H301-E303 WeakPolarHBondContact ND1-CB 3.44Å; H301-E303 WeakPolarHBondContact ND1-CG 3.16Å; H301-E303 PolarHBondContact ND1-N 3.34Å; H301-E303 IonicContact ND1-OE1 3.54Å; H301-E303 IonicContact ND1-OE2 3.83Å; H301-E303 PolarHBondContact O-N 3.48Å; H301-E303 VanDerWaalsContact O-N 3.07Å; H301-Q304 PolarHBondContact O-N 2.73Å; H301-Q304 PolarHBondContact O-NE2 2.84Å
302P88.3Confident94.2Very high83 Ų8349 Ų4954%0.53929%0.287SS..G310 helixtrans-57.7-24.6-177.1-26.834.6000115Q304 S305 Q306P302-Q304 PolarHBondContact O-N 3.09Å; P302-S305 PolarHBondContact O-N 3.29Å; P302-S305 VanDerWaalsContact O-N 3.09Å; P302-S305 PolarHBondContact O-OG 3.29Å; P302-Q306 PolarHBondContact O-N 3.01Å
303E93.4Very high94.4Very high52 Ų5252 Ų5224%0.24329%0.29CS..G310 helixtrans-52.9-27.5-179.473.1-172.3170.700114R265 H278 H301 S305 N311 N314R265-E303 IonicContact CZ-OE1 3.68Å; R265-E303 VanDerWaalsContact CZ-OE1 3.31Å; R265-E303 IonicContact NH1-OE1 2.83Å; R265-E303 PolarHBondContact NH1-OE1 2.78Å; R265-E303 IonicContact NH2-OE1 3.69Å; R265-E303 PolarHBondContact NH2-OE1 3.43Å; H278-E303 IonicContact CD2-OE1 2.66Å; H278-E303 IonicContact CE1-OE1 2.98Å; H278-E303 PolarHBondContact CE1-OE1 3.35Å; H278-E303 IonicContact NE2-OE1 3.44Å; H278-E303 PolarHBondContact NE2-OE1 3.07Å; H301-E303 HydrophobicContact CB-CG 4.19Å; H301-E303 IonicContact CE1-OE2 3.59Å; H301-E303 WeakPolarHBondContact ND1-CB 3.44Å; H301-E303 WeakPolarHBondContact ND1-CG 3.16Å; H301-E303 PolarHBondContact ND1-N 3.34Å; H301-E303 IonicContact ND1-OE1 3.54Å; H301-E303 IonicContact ND1-OE2 3.83Å; H301-E303 PolarHBondContact O-N 3.48Å; H301-E303 VanDerWaalsContact O-N 3.07Å; E303-S305 VanDerWaalsContact C-N 3.33Å; E303-N311 PolarHBondContact O-ND2 3.46Å; E303-N314 PolarHBondContact O-ND2 3.09Å
304Q92.7Very high94.5Very high12 Ų1252.6 Ų52.66%0.05629%0.294CS..G310 helixtrans-79.3-17.3-174.9-63.9175.285.600113.8F277 H278 H301 P302F277-Q304 VanDerWaalsContact CA-OE1 3.25Å; H278-Q304 WeakPolarHBondContact CE1-CG 3.47Å; H278-Q304 PolarHBondContact ND1-OE1 2.71Å; H278-Q304 PolarHBondContact O-NE2 3.19Å; H301-Q304 PolarHBondContact O-N 2.73Å; H301-Q304 PolarHBondContact O-NE2 2.84Å; P302-Q304 PolarHBondContact O-N 3.09Å
305S93.6Very high94.5Very high30 Ų3049.4 Ų49.421%0.2129%0.288CS..SBendtrans-119.37.9179.460.80000112.4P302 E303 T330 G331P302-S305 PolarHBondContact O-N 3.29Å; P302-S305 VanDerWaalsContact O-N 3.09Å; P302-S305 PolarHBondContact O-OG 3.29Å; E303-S305 VanDerWaalsContact C-N 3.33Å; S305-T330 CarbonylContact O-C 3.56Å; S305-T330 VanDerWaalsContact O-CA 3.3Å; S305-T330 WeakPolarHBondContact O-CA 3.45Å; S305-G331 PolarHBondContact O-N 2.83Å
306Q95.9Very high94.4Very high64 Ų6449.9 Ų49.930%0.29929%0.292SS..SBendtrans-66.7147.4171.4-78.1172.1-22.500111P302 V310 N311 N314P302-Q306 PolarHBondContact O-N 3.01Å; Q306-V310 HydrophobicContact CB-CB 4.43Å; Q306-V310 HydrophobicContact CB-CG1 4.34Å; Q306-V310 HydrophobicContact CG-CG1 4.22Å; Q306-N311 HydrophobicContact CB-CB 3.99Å; Q306-N314 PolarHBondContact O-ND2 3.33Å
307N95Very high94.3Very high40 Ų4050.4 Ų50.421%0.21429%0.294CS..  trans-60.6160171.366.220.1000111.8T309 V310 N311 T330N307-T309 VanDerWaalsContact CG-OG1 3.29Å; N307-T309 PolarHBondContact ND2-OG1 3.21Å; N307-T309 PolarHBondContact O-N 2.92Å; N307-T309 PolarHBondContact OD1-OG1 3.41Å; N307-V310 PolarHBondContact O-N 3.44Å; N307-V310 VanDerWaalsContact OD1-CB 3.25Å; N307-V310 WeakPolarHBondContact OD1-CB 3.46Å; N307-V310 WeakPolarHBondContact OD1-CG2 3.25Å; N307-V310 PolarHBondContact OD1-N 2.83Å; N307-N311 PolarHBondContact O-N 2.83Å; N307-T330 PolarHBondContact N-OG1 2.81Å; N307-T330 VanDerWaalsContact N-OG1 3.11Å; N307-T330 PolarHBondContact ND2-OG1 3.48Å
308A94.4Very high94.1Very high26 Ų2647.4 Ų47.422%0.21529%0.285CS..THydrogen-bonded Turntrans-67-18-176.200000114N311 P312 A315A308-N311 WeakPolarHBondContact CA-O 3.49Å; A308-N311 CarbonylContact O-C 3.5Å; A308-P312 VanDerWaalsContact O-CA 3.27Å; A308-P312 WeakPolarHBondContact O-CA 3.13Å; A308-A315 HydrophobicContact CB-CB 4.03Å
309T94.2Very high93.7Very high124 Ų12448.1 Ų48.176%0.76129%0.289SS*.THydrogen-bonded Turntrans-77.9-32.8176.652.90000112.1N307N307-T309 VanDerWaalsContact CG-OG1 3.29Å; N307-T309 PolarHBondContact ND2-OG1 3.21Å; N307-T309 PolarHBondContact O-N 2.92Å; N307-T309 PolarHBondContact OD1-OG1 3.41Å
310V94.7Very high93.4Very high90 Ų9052.2 Ų52.255%0.54530%0.304SS..THydrogen-bonded Turntrans-84.2-43.1174.6174.30000111.3Q306 N307Q306-V310 HydrophobicContact CB-CB 4.43Å; Q306-V310 HydrophobicContact CB-CG1 4.34Å; Q306-V310 HydrophobicContact CG-CG1 4.22Å; N307-V310 PolarHBondContact O-N 3.44Å; N307-V310 VanDerWaalsContact OD1-CB 3.25Å; N307-V310 WeakPolarHBondContact OD1-CB 3.46Å; N307-V310 WeakPolarHBondContact OD1-CG2 3.25Å; N307-V310 PolarHBondContact OD1-N 2.83Å
311N95.4Very high93Very high27 Ų2756 Ų5614%0.14431%0.314CS..  trans-122.596174.8-175.3-3.7000110.6E303 Q306 N307 A308 L313 N314E303-N311 PolarHBondContact O-ND2 3.46Å; Q306-N311 HydrophobicContact CB-CB 3.99Å; N307-N311 PolarHBondContact O-N 2.83Å; A308-N311 WeakPolarHBondContact CA-O 3.49Å; A308-N311 CarbonylContact O-C 3.5Å; N311-L313 PolarHBondContact O-N 2.85Å; N311-L313 WeakPolarHBondContact OD1-CB 3.06Å; N311-L313 PolarHBondContact OD1-N 2.74Å; N311-N314 WeakPolarHBondContact O-CB 3.44Å; N311-N314 PolarHBondContact O-N 3.37Å
312P95.5Very high92.6Very high96 Ų9658.3 Ų58.362%0.62332%0.323SS*.G310 helixtrans-56-25.6-177.7-28.836.5000115.3A308 N314 A315A308-P312 VanDerWaalsContact O-CA 3.27Å; A308-P312 WeakPolarHBondContact O-CA 3.13Å; P312-N314 PolarHBondContact O-N 2.89Å; P312-A315 VanDerWaalsContact O-CB 3.3Å; P312-A315 WeakPolarHBondContact O-CB 3.3Å; P312-A315 PolarHBondContact O-N 3.2Å
313L94.7Very high92.4Very high110 Ų11054.5 Ų54.558%0.57630%0.299SS*.G310 helixtrans-64.2-25.8175.9-65.5176.6000112.3N311 A315 A316N311-L313 PolarHBondContact O-N 2.85Å; N311-L313 WeakPolarHBondContact OD1-CB 3.06Å; N311-L313 PolarHBondContact OD1-N 2.74Å; L313-A315 PolarHBondContact O-N 2.82Å; L313-A316 VanDerWaalsContact O-CB 3.3Å; L313-A316 WeakPolarHBondContact O-CB 3.16Å; L313-A316 PolarHBondContact O-N 2.98Å
314N95.7Very high92.2Very high13 Ų1352.7 Ų52.77%0.0729%0.294CS..G310 helixtrans-74.2-10179.2-70.7-20.6000113.6E303 Q306 N311 P312 A316 F317E303-N314 PolarHBondContact O-ND2 3.09Å; Q306-N314 PolarHBondContact O-ND2 3.33Å; N311-N314 WeakPolarHBondContact O-CB 3.44Å; N311-N314 PolarHBondContact O-N 3.37Å; P312-N314 PolarHBondContact O-N 2.89Å; N314-A316 PolarHBondContact O-N 2.92Å; N314-F317 PolarHBondContact O-N 2.8Å
315A95.5Very high92.2Very high50 Ų5053.9 Ų53.941%0.41330%0.303SS..G310 helixtrans-57.5-27.616800000112.2A308 P312 L313 F317 C318A308-A315 HydrophobicContact CB-CB 4.03Å; P312-A315 VanDerWaalsContact O-CB 3.3Å; P312-A315 WeakPolarHBondContact O-CB 3.3Å; P312-A315 PolarHBondContact O-N 3.2Å; L313-A315 PolarHBondContact O-N 2.82Å; A315-F317 PolarHBondContact O-N 2.99Å; A315-C318 PolarHBondContact O-N 3.04Å; A315-C318 PolarHBondContact O-SG 3.3Å; A315-C318 VanDerWaalsContact O-SG 3.35Å
316A95.2Very high92Very high10 Ų1057.2 Ų57.28%0.08332%0.318CS..G310 helixtrans-63.9-21.3175.300000113.6T242 Y244 A245 L313 N314T242-A316 HydrophobicContact CG2-CB 4.18Å; T242-A316 WeakPolarHBondContact OG1-CB 3.14Å; Y244-A316 HydrophobicContact CD1-CB 4.07Å; A245-A316 HydrophobicContact CB-CB 3.86Å; A245-A316 VanDerWaalsContact CB-O 3.28Å; A245-A316 WeakPolarHBondContact CB-O 3.34Å; L313-A316 VanDerWaalsContact O-CB 3.3Å; L313-A316 WeakPolarHBondContact O-CB 3.16Å; L313-A316 PolarHBondContact O-N 2.98Å; N314-A316 PolarHBondContact O-N 2.92Å
317F94.7Very high91.9Very high10 Ų1056.7 Ų56.74%0.04432%0.321CS..G310 helixtrans-103.820.9179.2-56.9-77000112.8W240 Y244 A245 R275 N314 A315W240-F317 HydrophobicContact CD2-CD1 4.06Å; W240-F317 AromaticContact CE2-CD1 3.96Å; W240-F317 HydrophobicContact CE3-CB 4.33Å; W240-F317 HydrophobicContact CE3-CD1 4.47Å; W240-F317 HydrophobicContact CG-CD1 4.39Å; W240-F317 HydrophobicContact CH2-CB 4.4Å; W240-F317 HydrophobicContact CZ2-CD1 4.26Å; W240-F317 VanDerWaalsContact CZ3-C 3.43Å; W240-F317 HydrophobicContact CZ3-CB 4.17Å; W240-F317 WeakPolarHBondContact CZ3-O 3.47Å; Y244-F317 AromaticContact CE1-CE2 3.88Å; Y244-F317 HydrophobicContact CE1-CE2 3.88Å; Y244-F317 HydrophobicContact CE1-CZ 4.11Å; A245-F317 VanDerWaalsContact CA-CE1 3.47Å; A245-F317 HydrophobicContact CB-CD1 3.62Å; A245-F317 HydrophobicContact CB-CE1 3.35Å; A245-F317 HydrophobicContact CB-CE2 4.44Å; A245-F317 HydrophobicContact CB-CG 4.3Å; A245-F317 HydrophobicContact CB-CZ 3.8Å; R275-F317 HydrophobicContact CB-CD1 4.36Å; R275-F317 HydrophobicContact CB-CE1 4.06Å; R275-F317 VanDerWaalsContact CZ-CE2 3.42Å; R275-F317 VanDerWaalsContact NH2-CD2 3.32Å; N314-F317 PolarHBondContact O-N 2.8Å; A315-F317 PolarHBondContact O-N 2.99Å
318C94.1Very high91.8Very high13 Ų1355.7 Ų55.79%0.08832%0.317CS..SBendtrans-77.9127.3163.2-54.40000108.8A315 C327A315-C318 PolarHBondContact O-N 3.04Å; A315-C318 PolarHBondContact O-SG 3.3Å; A315-C318 VanDerWaalsContact O-SG 3.35Å; C318-C327 HydrophobicContact CB-CB 4.11Å; C318-C327 WeakPolarHBondContact CB-SG 3.45Å; C318-C327 WeakPolarHBondContact SG-CB 3.25Å; C318-C327 CovalentContact SG-SG 2.03Å; C318-C327 PolarHBondContact SG-SG 2.86Å
319P89.5Confident91.9Very high15 Ų1556 Ų5610%0.09732%0.316CS..  trans-60.8139.9-176.1-27.236.5000113.7W240 K321 P334 P337W240-P319 HydrophobicContact CZ3-CG 4.25Å; P319-K321 VanDerWaalsContact C-N 3.32Å; P319-K321 WeakPolarHBondContact CB-O 3.12Å; P319-K321 PolarHBondContact O-N 2.97Å; P319-P334 HydrophobicContact CG-CB 3.62Å; P319-P334 HydrophobicContact CG-CG 3.57Å; P319-P337 HydrophobicContact CB-CG 4.14Å; P319-P337 HydrophobicContact CG-CG 4.25Å
320K87.5Confident92Very high104 Ų10451.5 Ų51.545%0.45229%0.289SS..SBendtrans-59.3-43.1170.9-68.8-178.8-177.8168.80112.7N238 Y239 W240 H241N238-K320 PolarHBondContact O-NZ 2.56Å; Y239-K320 WeakPolarHBondContact O-CD 3.23Å; Y239-K320 WeakPolarHBondContact O-CG 3.49Å; W240-K320 WeakPolarHBondContact O-CE 3.31Å; W240-K320 PolarHBondContact O-NZ 2.87Å; H241-K320 WeakPolarHBondContact NE2-CA 3.35Å
321K82.8Confident92.1Very high126 Ų12647.4 Ų47.455%0.54827%0.265SS..SBendtrans-99.4115.2176.7-67.7-176-179.1-179.90107.9P319 A323 P341 A344P319-K321 VanDerWaalsContact C-N 3.32Å; P319-K321 WeakPolarHBondContact CB-O 3.12Å; P319-K321 PolarHBondContact O-N 2.97Å; K321-A323 PolarHBondContact O-N 2.8Å; K321-P341 PolarHBondContact NZ-O 2.79Å; K321-A344 HydrophobicContact CB-CB 4.15Å
322K82.5Confident92.2Very high129 Ų12946.3 Ų46.356%0.56126%0.259SS*.  trans-66.9121.3179.3-63.4-174.6175.9-161.80109.8N151 D326N151-K322 PolarHBondContact OD1-O 3.19Å; K322-D326 VanDerWaalsContact CD-OD1 3.31Å; K322-D326 WeakPolarHBondContact CD-OD1 3.45Å; K322-D326 WeakPolarHBondContact CE-OD1 3.34Å; K322-D326 IonicContact NZ-OD1 3.47Å; K322-D326 PolarHBondContact NZ-OD1 2.85Å; K322-D326 IonicContact NZ-OD2 3.49Å; K322-D326 PolarHBondContact NZ-OD2 2.9Å
323A83.6Confident92.2Very high4 Ų442.6 Ų42.63%0.03323%0.234CC..SBendtrans-13985.4169.800000107.3K321 A344 P346K321-A323 PolarHBondContact O-N 2.8Å; A323-A344 HydrophobicContact CB-CB 3.86Å; A323-A344 VanDerWaalsContact CB-O 3.26Å; A323-A344 WeakPolarHBondContact CB-O 3.35Å; A323-P346 HydrophobicContact CB-CB 4.08Å; A323-P346 WeakPolarHBondContact O-CB 3.2Å
324G89.4Confident92.2Very high14 Ų1437.5 Ų37.514%0.14421%0.207CC..SBendtrans106.5-149.2-169.400000112.5
325P91.6Very high92.1Very high37 Ų3737.6 Ų37.624%0.2421%0.207CC..SBendtrans-60.5152177.6-23.435.4000112.4C327 Y401 F420P325-C327 VanDerWaalsContact C-N 3.25Å; P325-C327 PolarHBondContact O-N 3.02Å; P325-Y401 HydrophobicContact CG-CD2 3.89Å; P325-Y401 HydrophobicContact CG-CE1 4.49Å; P325-Y401 HydrophobicContact CG-CE2 3.51Å; P325-Y401 HydrophobicContact CG-CG 4.49Å; P325-F420 HydrophobicContact CG-CZ 4.05Å
326D90.2Very high91.8Very high99 Ų9935.4 Ų35.453%0.52919%0.189SC..SBendtrans-56.8-39.3-178.7-79.35.8000113K322K322-D326 VanDerWaalsContact CD-OD1 3.31Å; K322-D326 WeakPolarHBondContact CD-OD1 3.45Å; K322-D326 WeakPolarHBondContact CE-OD1 3.34Å; K322-D326 IonicContact NZ-OD1 3.47Å; K322-D326 PolarHBondContact NZ-OD1 2.85Å; K322-D326 IonicContact NZ-OD2 3.49Å; K322-D326 PolarHBondContact NZ-OD2 2.9Å
327C93.7Very high91.4Very high53 Ų5336 Ų3636%0.35819%0.192SC..SBendtrans-133.9146.9172.2-72.90000108.8C318 P325C318-C327 HydrophobicContact CB-CB 4.11Å; C318-C327 WeakPolarHBondContact CB-SG 3.45Å; C318-C327 WeakPolarHBondContact SG-CB 3.25Å; C318-C327 CovalentContact SG-SG 2.03Å; C318-C327 PolarHBondContact SG-SG 2.86Å; P325-C327 VanDerWaalsContact C-N 3.25Å; P325-C327 PolarHBondContact O-N 3.02Å
328P94.2Very high91.1Very high20 Ų2036.8 Ų36.813%0.1320%0.199CC..PPolyproline II helixtrans-64.3139.8179.327.2-34.8000111.5M332 P334 F348P328-M332 HydrophobicContact CB-CB 4.34Å; P328-M332 WeakPolarHBondContact CB-O 3.49Å; P328-P334 HydrophobicContact CB-CG 4.41Å; P328-P334 HydrophobicContact CG-CG 4.19Å; P328-F348 HydrophobicContact CB-CE1 4.29Å
329P95.6Very high90.4Very high31 Ų3139.3 Ų39.320%0.20122%0.217CC..PPolyproline II helixtrans-70.6169.2168.530.6-33.4000110.8G331 M332 I361 F420P329-G331 PolarHBondContact O-N 2.87Å; P329-M332 HydrophobicContact CG-CB 4.14Å; P329-M332 HydrophobicContact CG-CG 3.69Å; P329-M332 PolarHBondContact O-N 2.77Å; P329-M332 VanDerWaalsContact O-N 3.11Å; P329-I361 HydrophobicContact CB-CD1 4.33Å; P329-I361 HydrophobicContact CG-CD1 3.87Å; P329-F420 HydrophobicContact CG-CE1 4.46Å; P329-F420 HydrophobicContact CG-CE2 3.65Å; P329-F420 HydrophobicContact CG-CZ 3.48Å; P329-F420 VanDerWaalsContact CG-CZ 3.48Å
330T97.2Very high89.7Confident31 Ų3140.3 Ų40.319%0.1922%0.221CC..THydrogen-bonded Turntrans-54.3135.5180-640000111.2S305 N307 M332 A357 D358S305-T330 CarbonylContact O-C 3.56Å; S305-T330 VanDerWaalsContact O-CA 3.3Å; S305-T330 WeakPolarHBondContact O-CA 3.45Å; N307-T330 PolarHBondContact N-OG1 2.81Å; N307-T330 VanDerWaalsContact N-OG1 3.11Å; N307-T330 PolarHBondContact ND2-OG1 3.48Å; T330-M332 VanDerWaalsContact C-N 3.28Å; T330-M332 PolarHBondContact O-N 3.14Å; T330-A357 CarbonylContact O-C 3.5Å; T330-A357 WeakPolarHBondContact O-CA 3.28Å; T330-A357 WeakPolarHBondContact O-CB 3.48Å; T330-D358 PolarHBondContact O-N 3.4Å
331G96.3Very high88.8Confident4 Ų439.6 Ų39.64%0.04123%0.227CC..THydrogen-bonded Turntrans80.4-8.4-178.200000115.7S305 P329 C350 G356S305-G331 PolarHBondContact O-N 2.83Å; P329-G331 PolarHBondContact O-N 2.87Å; G331-C350 WeakPolarHBondContact O-CB 3.47Å; G331-G356 WeakPolarHBondContact CA-O 3.5Å
332M96.5Very high88.4Confident4 Ų439 Ų392%0.0222%0.221CC..  trans-101.1140.4-177.3-52-53.1-71.700111.2P328 P329 T330 F348 A349 C350 F354 A357 I361 N399 F420P328-M332 HydrophobicContact CB-CB 4.34Å; P328-M332 WeakPolarHBondContact CB-O 3.49Å; P329-M332 HydrophobicContact CG-CB 4.14Å; P329-M332 HydrophobicContact CG-CG 3.69Å; P329-M332 PolarHBondContact O-N 2.77Å; P329-M332 VanDerWaalsContact O-N 3.11Å; T330-M332 VanDerWaalsContact C-N 3.28Å; T330-M332 PolarHBondContact O-N 3.14Å; M332-F348 HydrophobicContact CB-CD1 4.11Å; M332-F348 HydrophobicContact CE-CB 3.79Å; M332-A349 CarbonylContact C-O 3.54Å; M332-C350 HydrophobicContact CE-CB 4.25Å; M332-C350 HydrophobicContact SD-CB 3.73Å; M332-F354 HydrophobicContact CE-CE1 4.26Å; M332-F354 HydrophobicContact SD-CD1 4.28Å; M332-F354 HydrophobicContact SD-CE1 4.42Å; M332-A357 HydrophobicContact SD-CB 4.12Å; M332-I361 HydrophobicContact CG-CD1 3.81Å; M332-I361 HydrophobicContact SD-CD1 4.08Å; M332-N399 HydrophobicContact CE-CB 4.24Å; M332-F420 HydrophobicContact CE-CB 4.01Å; M332-F420 HydrophobicContact CE-CD1 3.54Å; M332-F420 HydrophobicContact CE-CE1 4.14Å; M332-F420 HydrophobicContact CE-CG 3.85Å; M332-F420 HydrophobicContact CG-CE1 4.32Å; M332-F420 HydrophobicContact CG-CZ 4.44Å
333I95.4Very high88.3Confident18 Ų1833.1 Ų33.19%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-127115.5-179.1-60.7166.3000108F273 F277 L335 F348 A349F273-I333 HydrophobicContact CD1-CD1 4.23Å; F273-I333 HydrophobicContact CD1-CG2 4.24Å; F273-I333 HydrophobicContact CE1-CD1 4.27Å; F277-I333 HydrophobicContact CE1-CD1 3.77Å; F277-I333 HydrophobicContact CZ-CD1 3.87Å; F277-I333 HydrophobicContact CZ-CG2 4.18Å; I333-L335 PolarHBondContact O-N 3.35Å; I333-F348 CarbonylContact O-C 3.5Å; I333-F348 VanDerWaalsContact O-CA 3.26Å; I333-F348 WeakPolarHBondContact O-CA 3.34Å; I333-A349 HydrophobicContact CB-CB 4.26Å; I333-A349 PolarHBondContact N-O 3.4Å; I333-A349 PolarHBondContact O-N 3.11Å
334P94.8Very high88.4Confident2 Ų233.5 Ų33.51%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-73.1130.7-177.824.8-25.6000111.1W240 P319 P328 F348W240-P334 HydrophobicContact CH2-CG 4.01Å; W240-P334 HydrophobicContact CZ3-CG 4.24Å; P319-P334 HydrophobicContact CG-CB 3.62Å; P319-P334 HydrophobicContact CG-CG 3.57Å; P328-P334 HydrophobicContact CB-CG 4.41Å; P328-P334 HydrophobicContact CG-CG 4.19Å; P334-F348 HydrophobicContact CB-CD1 4Å; P334-F348 HydrophobicContact CB-CE1 3.72Å; P334-F348 HydrophobicContact CB-CZ 4.35Å; P334-F348 HydrophobicContact CG-CE1 4.48Å
335L93.4Very high88.3Confident15 Ų1534.1 Ų34.18%0.07920%0.2CC..  trans-102-9.5177.9-56.2-169.2000113.1F273 I333 P337 C338 S339 I347 A349 I398F273-L335 HydrophobicContact CB-CD2 4.34Å; F273-L335 HydrophobicContact CD2-CD2 4.44Å; F273-L335 HydrophobicContact CG-CD2 4.17Å; I333-L335 PolarHBondContact O-N 3.35Å; L335-P337 WeakPolarHBondContact O-CD 3.46Å; L335-C338 PolarHBondContact O-N 2.96Å; L335-S339 WeakPolarHBondContact O-CB 3.41Å; L335-S339 PolarHBondContact O-N 2.82Å; L335-S339 VanDerWaalsContact O-N 3.07Å; L335-S339 PolarHBondContact O-OG 3.24Å; L335-I347 HydrophobicContact CB-CB 4.46Å; L335-I347 HydrophobicContact CB-CG2 4.39Å; L335-I347 HydrophobicContact CD1-CG2 4.07Å; L335-I347 PolarHBondContact N-O 3.43Å; L335-A349 HydrophobicContact CD1-CB 4.09Å; L335-A349 HydrophobicContact CD2-CB 3.95Å; L335-A349 HydrophobicContact CG-CB 4.12Å; L335-I398 HydrophobicContact CD1-CD1 3.57Å
336S89.4Confident88.3Confident5 Ų532.6 Ų32.64%0.03519%0.19CC..Hα-helixtrans-51.7-30.4175.170.40000115.3C338 S339 V345S336-C338 VanDerWaalsContact C-N 3.31Å; S336-C338 PolarHBondContact O-N 2.9Å; S336-S339 WeakPolarHBondContact CA-OG 3.24Å; S336-V345 WeakPolarHBondContact CB-O 3.44Å
337P87.8Confident88.5Confident22 Ų2229 Ų2914%0.14317%0.171CC..Hα-helixtrans-66.8-26.3-174.5-23.835.7000115.4Y239 W240 C274 P319 L335Y239-P337 WeakPolarHBondContact CD1-O 3.4Å; Y239-P337 HydrophobicContact CG-CB 4.3Å; W240-P337 HydrophobicContact CE3-CG 4.4Å; W240-P337 HydrophobicContact CH2-CB 4.44Å; W240-P337 HydrophobicContact CH2-CG 3.59Å; W240-P337 HydrophobicContact CZ2-CB 4.5Å; W240-P337 HydrophobicContact CZ2-CG 4.08Å; W240-P337 HydrophobicContact CZ3-CG 3.74Å; C274-P337 HydrophobicContact CB-CB 4.31Å; P319-P337 HydrophobicContact CB-CG 4.14Å; P319-P337 HydrophobicContact CG-CG 4.25Å; L335-P337 WeakPolarHBondContact O-CD 3.46Å
338C87.6Confident88.6Confident26 Ų2626.6 Ų26.618%0.17615%0.154CC..Hα-helixtrans-132.6-9-177.674.20000115.2Y239 P271 C274 L335 S336 N340Y239-C338 HydrophobicContact CD1-CB 4.21Å; Y239-C338 HydrophobicContact CD2-CB 3.93Å; Y239-C338 HydrophobicContact CE1-CB 3.82Å; Y239-C338 HydrophobicContact CE2-CB 3.48Å; Y239-C338 VanDerWaalsContact CE2-CB 3.48Å; Y239-C338 HydrophobicContact CG-CB 4.28Å; Y239-C338 VanDerWaalsContact CZ-CB 3.43Å; P271-C338 PolarHBondContact O-SG 2.76Å; C274-C338 WeakPolarHBondContact CA-SG 3.26Å; C274-C338 HydrophobicContact CB-CB 3.61Å; C274-C338 WeakPolarHBondContact CB-SG 3.44Å; C274-C338 PolarHBondContact N-SG 3.12Å; C274-C338 VanDerWaalsContact N-SG 3.44Å; C274-C338 VanDerWaalsContact SG-CA 3.59Å; C274-C338 WeakPolarHBondContact SG-CB 3.28Å; C274-C338 PolarHBondContact SG-N 2.76Å; C274-C338 CovalentContact SG-SG 2.02Å; C274-C338 PolarHBondContact SG-SG 2.98Å; L335-C338 PolarHBondContact O-N 2.96Å; S336-C338 VanDerWaalsContact C-N 3.31Å; S336-C338 PolarHBondContact O-N 2.9Å; C338-N340 VanDerWaalsContact C-N 3.34Å; C338-N340 PolarHBondContact O-N 3.46Å
339S79Confident88.7Confident67 Ų6725.7 Ų25.747%0.46915%0.148SC..Hα-helixtrans-61.5-41.8178.148.60000112.3L335 S336L335-S339 WeakPolarHBondContact O-CB 3.41Å; L335-S339 PolarHBondContact O-N 2.82Å; L335-S339 VanDerWaalsContact O-N 3.07Å; L335-S339 PolarHBondContact O-OG 3.24Å; S336-S339 WeakPolarHBondContact CA-OG 3.24Å
340N74.4Confident88.8Confident35 Ų3524.5 Ų24.519%0.18714%0.141CC..  trans-149.6116.3170.2-178-30.6000109.5C338 R342 I343C338-N340 VanDerWaalsContact C-N 3.34Å; C338-N340 PolarHBondContact O-N 3.46Å; N340-R342 PolarHBondContact O-N 2.72Å; N340-R342 WeakPolarHBondContact OD1-CB 3.45Å; N340-R342 PolarHBondContact OD1-N 3.12Å; N340-I343 WeakPolarHBondContact CB-O 3.4Å; N340-I343 VanDerWaalsContact O-O 3.14Å; N340-I343 PolarHBondContact OD1-N 2.78Å; N340-I343 VanDerWaalsContact OD1-N 3.11Å
341P68.8Low88.7Confident89 Ų8925.3 Ų25.358%0.57814%0.142SC*.SBendtrans-66.5-22.9-175.725.7-33.2000113.3K321K321-P341 PolarHBondContact NZ-O 2.79Å
342R75.9Confident88.8Confident113 Ų11325.1 Ų25.143%0.42614%0.14SC..SBendtrans-90.5-37.7-176.8-62.3174.8-173.9147.56.8112.1G192 T193 D195 N340G192-R342 PolarHBondContact O-NH1 3.44Å; T193-R342 VanDerWaalsContact C-NH1 3.35Å; T193-R342 WeakPolarHBondContact O-CD 3.38Å; T193-R342 PolarHBondContact O-NH1 2.66Å; D195-R342 IonicContact OD1-CZ 2.74Å; D195-R342 IonicContact OD1-NH1 3.04Å; D195-R342 PolarHBondContact OD1-NH1 3.28Å; D195-R342 IonicContact OD1-NH2 2.82Å; D195-R342 PolarHBondContact OD1-NH2 3.29Å; N340-R342 PolarHBondContact O-N 2.72Å; N340-R342 WeakPolarHBondContact OD1-CB 3.45Å; N340-R342 PolarHBondContact OD1-N 3.12Å
343I80.3Confident88.9Confident7 Ų725 Ų254%0.03614%0.14CC..SBendtrans-125.3112.6-176.4-56.5165000109.4A148 L152 N340 V345A148-I343 HydrophobicContact CB-CG2 4.14Å; L152-I343 HydrophobicContact CD2-CD1 3.56Å; L152-I343 HydrophobicContact CD2-CG1 3.98Å; L152-I343 HydrophobicContact CD2-CG2 4.09Å; N340-I343 WeakPolarHBondContact CB-O 3.4Å; N340-I343 VanDerWaalsContact O-O 3.14Å; N340-I343 PolarHBondContact OD1-N 2.78Å; N340-I343 VanDerWaalsContact OD1-N 3.11Å; I343-V345 HydrophobicContact CG2-CG2 4.13Å; I343-V345 PolarHBondContact O-N 3.17Å
344A84.6Confident89Confident11 Ų1124.5 Ų24.59%0.09114%0.137CC..  trans-7991.7178.500000110N151 K321 A323N151-A344 WeakPolarHBondContact CB-O 3.31Å; N151-A344 PolarHBondContact ND2-O 3.1Å; K321-A344 HydrophobicContact CB-CB 4.15Å; A323-A344 HydrophobicContact CB-CB 3.86Å; A323-A344 VanDerWaalsContact CB-O 3.26Å; A323-A344 WeakPolarHBondContact CB-O 3.35Å
345V87.7Confident89.1Confident27 Ų2725.5 Ų25.516%0.16414%0.142CC..  trans-79131.6177.5-167.50000109.2V147 A148 S336 I343 I347V147-V345 HydrophobicContact CG1-CG1 4.36Å; A148-V345 HydrophobicContact CB-CG1 4.3Å; A148-V345 HydrophobicContact CB-CG2 4.03Å; S336-V345 WeakPolarHBondContact CB-O 3.44Å; I343-V345 HydrophobicContact CG2-CG2 4.13Å; I343-V345 PolarHBondContact O-N 3.17Å; V345-I347 HydrophobicContact CB-CG1 4.1Å; V345-I347 HydrophobicContact CG1-CD1 3.9Å; V345-I347 HydrophobicContact CG1-CG1 3.66Å; V345-I347 PolarHBondContact O-N 3.34Å
346P91.6Very high89.2Confident6 Ų627.1 Ų27.14%0.03916%0.162CC..  trans-7557.7-174.833.6-40.3000112.7V147 A323 F348 A400 Y401V147-P346 HydrophobicContact CG1-CG 3.43Å; V147-P346 VanDerWaalsContact CG1-CG 3.43Å; A323-P346 HydrophobicContact CB-CB 4.08Å; A323-P346 WeakPolarHBondContact O-CB 3.2Å; P346-F348 HydrophobicContact CB-CE2 4.47Å; P346-F348 WeakPolarHBondContact O-CD2 3.48Å; P346-A400 WeakPolarHBondContact O-CA 3.46Å; P346-Y401 WeakPolarHBondContact CG-O 3.3Å; P346-Y401 PolarHBondContact O-N 2.86Å
347I93.9Very high89.5Confident23 Ų2327.5 Ų27.512%0.11817%0.166CC..EExtended strand (participates in β ladder)trans-96.3135.8179.7-56.1-55.5000110.5L144 L335 V345 I398 N399 A400 L423L144-I347 HydrophobicContact CD2-CD1 4.34Å; L335-I347 HydrophobicContact CB-CB 4.46Å; L335-I347 HydrophobicContact CB-CG2 4.39Å; L335-I347 HydrophobicContact CD1-CG2 4.07Å; L335-I347 PolarHBondContact N-O 3.43Å; V345-I347 HydrophobicContact CB-CG1 4.1Å; V345-I347 HydrophobicContact CG1-CD1 3.9Å; V345-I347 HydrophobicContact CG1-CG1 3.66Å; V345-I347 PolarHBondContact O-N 3.34Å; I347-I398 HydrophobicContact CG2-CG2 3.39Å; I347-N399 CarbonylContact C-O 3.56Å; I347-N399 WeakPolarHBondContact CA-O 3.25Å; I347-A400 HydrophobicContact CD1-CB 3.91Å; I347-L423 HydrophobicContact CD1-CD1 4.32Å
348F96Very high89.9Confident3 Ų329.3 Ų29.31%0.01317%0.174CC..EExtended strand (participates in β ladder)trans-129.6132.9-179-65.9-102.7000111.2P328 M332 I333 P334 P346 N399 F420P328-F348 HydrophobicContact CB-CE1 4.29Å; M332-F348 HydrophobicContact CB-CD1 4.11Å; M332-F348 HydrophobicContact CE-CB 3.79Å; I333-F348 CarbonylContact O-C 3.5Å; I333-F348 VanDerWaalsContact O-CA 3.26Å; I333-F348 WeakPolarHBondContact O-CA 3.34Å; P334-F348 HydrophobicContact CB-CD1 4Å; P334-F348 HydrophobicContact CB-CE1 3.72Å; P334-F348 HydrophobicContact CB-CZ 4.35Å; P334-F348 HydrophobicContact CG-CE1 4.48Å; P346-F348 HydrophobicContact CB-CE2 4.47Å; P346-F348 WeakPolarHBondContact O-CD2 3.48Å; F348-N399 PolarHBondContact N-O 2.89Å; F348-N399 PolarHBondContact O-N 2.83Å; F348-N399 PolarHBondContact O-ND2 2.9Å; F348-N399 VanDerWaalsContact O-ND2 3.12Å; F348-F420 HydrophobicContact CB-CD1 4.26Å; F348-F420 HydrophobicContact CB-CE1 4.35Å; F348-F420 AromaticContact CD1-CE1 3.93Å; F348-F420 HydrophobicContact CD1-CE1 3.93Å; F348-F420 HydrophobicContact CD2-CD1 4.04Å; F348-F420 AromaticContact CD2-CE1 3.77Å; F348-F420 HydrophobicContact CD2-CE1 3.77Å; F348-F420 HydrophobicContact CE1-CE1 4.14Å; F348-F420 HydrophobicContact CE2-CE1 4.02Å; F348-F420 HydrophobicContact CG-CD1 4.07Å; F348-F420 AromaticContact CG-CE1 3.75Å; F348-F420 HydrophobicContact CG-CE1 3.75Å; F348-F420 HydrophobicContact CZ-CE1 4.19Å
349A96.7Very high90.3Very high0 Ų032.5 Ų32.50%020%0.195CC..EExtended strand (participates in β ladder)trans-87.6146168.200000111.1F273 M332 I333 L335 V396 Q397 I398F273-A349 HydrophobicContact CD1-CB 4.28Å; F273-A349 HydrophobicContact CE1-CB 3.76Å; F273-A349 HydrophobicContact CZ-CB 4Å; M332-A349 CarbonylContact C-O 3.54Å; I333-A349 HydrophobicContact CB-CB 4.26Å; I333-A349 PolarHBondContact N-O 3.4Å; I333-A349 PolarHBondContact O-N 3.11Å; L335-A349 HydrophobicContact CD1-CB 4.09Å; L335-A349 HydrophobicContact CD2-CB 3.95Å; L335-A349 HydrophobicContact CG-CB 4.12Å; A349-V396 HydrophobicContact CB-CG2 3.8Å; A349-Q397 CarbonylContact C-O 3.13Å; A349-Q397 VanDerWaalsContact CA-O 3.24Å; A349-Q397 WeakPolarHBondContact CA-O 3.39Å; A349-I398 HydrophobicContact CB-CD1 4.1Å
350C97.2Very high91.1Very high7 Ų732.9 Ų32.95%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-144.9-178.2163.965.90000109.1G331 M332 V396 Q397 N399G331-C350 WeakPolarHBondContact O-CB 3.47Å; M332-C350 HydrophobicContact CE-CB 4.25Å; M332-C350 HydrophobicContact SD-CB 3.73Å; C350-V396 CarbonylContact O-C 3.58Å; C350-V396 WeakPolarHBondContact O-CA 3.26Å; C350-Q397 PolarHBondContact N-O 3.42Å; C350-Q397 PolarHBondContact O-N 3.44Å; C350-N399 PolarHBondContact SG-ND2 2.81Å
351Q96.8Very high92.2Very high47 Ų4731.9 Ų31.922%0.2219%0.192CC..  trans-78.3154165.7-67.9-165.793.600110.2F354 L355 S377Q351-F354 PolarHBondContact O-N 3.31Å; Q351-L355 HydrophobicContact CB-CB 3.88Å; Q351-L355 HydrophobicContact CB-CD2 4.39Å; Q351-L355 HydrophobicContact CB-CG 4.44Å; Q351-S377 VanDerWaalsContact OE1-CA 3.27Å
352P97.9Very high93.6Very high0 Ų030 Ų300%017%0.173CC..G310 helixtrans-47.6146.5179.4-27.330.9000114.2F354 L355 D376 K395 W425P352-F354 PolarHBondContact O-N 2.97Å; P352-F354 VanDerWaalsContact O-N 3.1Å; P352-L355 WeakPolarHBondContact O-CB 3.35Å; P352-L355 PolarHBondContact O-N 2.73Å; P352-D376 HydrophobicContact CB-CB 4.06Å; P352-D376 WeakPolarHBondContact CD-O 3.19Å; P352-K395 HydrophobicContact CG-CB 3.74Å; P352-W425 HydrophobicContact CB-CB 4.28Å; P352-W425 HydrophobicContact CB-CD2 4.17Å; P352-W425 HydrophobicContact CB-CE3 4.23Å; P352-W425 HydrophobicContact CB-CG 4.22Å; P352-W425 HydrophobicContact CG-CB 4.29Å; P352-W425 HydrophobicContact CG-CD2 4.3Å; P352-W425 HydrophobicContact CG-CE3 3.92Å; P352-W425 HydrophobicContact CG-CG 4.49Å
353H98Very high94.6Very high2 Ų227.3 Ų27.31%0.00918%0.175CC..G310 helixtrans56.326.4179.3-54.193.8000113.4Y71 E89 L355 I368 R369 P371 D376 W425Y71-H353 PolarHBondContact OH-CD2 3.5Å; Y71-H353 PolarHBondContact OH-NE2 3.47Å; E89-H353 IonicContact OE2-CE1 3.6Å; E89-H353 IonicContact OE2-NE2 3.46Å; E89-H353 PolarHBondContact OE2-NE2 2.99Å; E89-H353 VanDerWaalsContact OE2-NE2 3.08Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 2.59Å; H353-I368 HydrophobicContact CB-CG2 4.45Å; H353-R369 VanDerWaalsContact CD2-CG 3.41Å; H353-R369 WeakPolarHBondContact CD2-CG 3.21Å; H353-R369 PolarHBondContact CE1-NE 3.13Å; H353-R369 PolarHBondContact CE1-NH2 3.45Å; H353-R369 PolarHBondContact ND1-NH2 2.74Å; H353-P371 HydrophobicContact CB-CB 4.2Å; H353-D376 IonicContact CE1-OD1 3.7Å; H353-D376 IonicContact CG-OD2 3.78Å; H353-D376 IonicContact ND1-OD1 2.94Å; H353-D376 PolarHBondContact ND1-OD1 3.06Å; H353-D376 IonicContact ND1-OD2 3.55Å; H353-W425 AromaticContact CE1-CE2 3.93Å; H353-W425 AromaticContact CE1-NE1 3.68Å; H353-W425 AromaticContact NE2-NE1 3.93Å
354F97.8Very high95.4Very high7 Ų728.6 Ų28.63%0.03119%0.187CC..G310 helixtrans59.832.7-175.7-60.9-75.9000113.8M332 Q351 P352 G356 A357 I361 R362 M365 I368 N399 F420 P422M332-F354 HydrophobicContact CE-CE1 4.26Å; M332-F354 HydrophobicContact SD-CD1 4.28Å; M332-F354 HydrophobicContact SD-CE1 4.42Å; Q351-F354 PolarHBondContact O-N 3.31Å; P352-F354 PolarHBondContact O-N 2.97Å; P352-F354 VanDerWaalsContact O-N 3.1Å; F354-G356 PolarHBondContact O-N 2.94Å; F354-G356 VanDerWaalsContact O-N 3.1Å; F354-A357 HydrophobicContact CB-CB 4.02Å; F354-A357 HydrophobicContact CD1-CB 4.33Å; F354-A357 PolarHBondContact O-N 3.07Å; F354-I361 HydrophobicContact CD1-CG2 3.77Å; F354-I361 HydrophobicContact CE1-CG2 3.54Å; F354-I361 HydrophobicContact CG-CG2 4.4Å; F354-I361 HydrophobicContact CZ-CG2 4Å; F354-R362 HydrophobicContact CB-CB 4.18Å; F354-R362 HydrophobicContact CD2-CB 3.85Å; F354-R362 HydrophobicContact CD2-CG 4.02Å; F354-R362 HydrophobicContact CG-CB 4.27Å; F354-M365 HydrophobicContact CE2-CE 3.8Å; F354-M365 HydrophobicContact CZ-CE 3.82Å; F354-I368 HydrophobicContact CD2-CD1 4.31Å; F354-I368 HydrophobicContact CD2-CG2 4.22Å; F354-I368 HydrophobicContact CE2-CD1 3.61Å; F354-I368 HydrophobicContact CE2-CG2 4.46Å; F354-N399 WeakPolarHBondContact CE1-OD1 3.38Å; F354-N399 VanDerWaalsContact CZ-OD1 3.31Å; F354-N399 WeakPolarHBondContact CZ-OD1 3.3Å; F354-F420 HydrophobicContact CE1-CB 4.45Å; F354-P422 HydrophobicContact CE2-CB 4.49Å; F354-P422 HydrophobicContact CZ-CB 4.27Å
355L96.8Very high96Very high23 Ų2328.5 Ų28.512%0.1219%0.185CC..THydrogen-bonded Turntrans-56118.5174.7175.167.4000111Q351 P352 H353 A357 P371 V373 D376 S377Q351-L355 HydrophobicContact CB-CB 3.88Å; Q351-L355 HydrophobicContact CB-CD2 4.39Å; Q351-L355 HydrophobicContact CB-CG 4.44Å; P352-L355 WeakPolarHBondContact O-CB 3.35Å; P352-L355 PolarHBondContact O-N 2.73Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 2.59Å; L355-A357 VanDerWaalsContact C-N 3.29Å; L355-A357 PolarHBondContact O-N 3.43Å; L355-P371 HydrophobicContact CB-CB 3.73Å; L355-P371 HydrophobicContact CD1-CB 3.94Å; L355-P371 HydrophobicContact CG-CB 4.45Å; L355-V373 HydrophobicContact CD1-CG2 4Å; L355-D376 HydrophobicContact CB-CB 4.06Å; L355-D376 HydrophobicContact CD2-CB 3.87Å; L355-S377 WeakPolarHBondContact CD2-OG 3.5Å
356G94.9Very high96.4Very high49 Ų4929.5 Ų29.551%0.50519%0.189SC..THydrogen-bonded Turntrans78.85.2179.700000114.9G331 F354G331-G356 WeakPolarHBondContact CA-O 3.5Å; F354-G356 PolarHBondContact O-N 2.94Å; F354-G356 VanDerWaalsContact O-N 3.1Å
357A97Very high96.7Very high13 Ų1331.8 Ų31.811%0.10721%0.213CC..SBendtrans-86.3166.1171.400000112.6T330 M332 F354 L355 P359 I361T330-A357 CarbonylContact O-C 3.5Å; T330-A357 WeakPolarHBondContact O-CA 3.28Å; T330-A357 WeakPolarHBondContact O-CB 3.48Å; M332-A357 HydrophobicContact SD-CB 4.12Å; F354-A357 HydrophobicContact CB-CB 4.02Å; F354-A357 HydrophobicContact CD1-CB 4.33Å; F354-A357 PolarHBondContact O-N 3.07Å; L355-A357 VanDerWaalsContact C-N 3.29Å; L355-A357 PolarHBondContact O-N 3.43Å; A357-P359 WeakPolarHBondContact O-CD 3.43Å; A357-I361 HydrophobicContact CB-CD1 4.43Å
358D96.3Very high96.8Very high60 Ų6031.3 Ų31.332%0.32121%0.211SC..  trans-55.6122.2173.1-168.8-56.1000109.8T330 S360 I361T330-D358 PolarHBondContact O-N 3.4Å; D358-S360 PolarHBondContact O-N 3.11Å; D358-S360 VanDerWaalsContact OD1-CB 3.28Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 3.21Å; D358-S360 PolarHBondContact OD1-OG 3.24Å; D358-I361 HydrophobicContact CB-CD1 4.03Å; D358-I361 HydrophobicContact CB-CG1 4.2Å; D358-I361 WeakPolarHBondContact O-CB 3.25Å; D358-I361 PolarHBondContact O-N 2.95Å
359P95.9Very high96.8Very high93 Ų9336 Ų3660%0.60423%0.229SC*.Hα-helixtrans-57.1-26.8-176-2735.2000114.1A357 I361 R362 A363A357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-I361 PolarHBondContact O-N 2.78Å; P359-R362 PolarHBondContact O-N 2.83Å; P359-A363 WeakPolarHBondContact O-CB 2.94Å; P359-A363 PolarHBondContact O-N 2.92Å
360S95.9Very high96.8Very high75 Ų7541.8 Ų41.852%0.52426%0.256SS..Hα-helixtrans-61.4-29.8176.764.20000112.8D358 A363 A364D358-S360 PolarHBondContact O-N 3.11Å; D358-S360 VanDerWaalsContact OD1-CB 3.28Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 3.21Å; D358-S360 PolarHBondContact OD1-OG 3.24Å; S360-A363 PolarHBondContact O-N 3.05Å; S360-A364 WeakPolarHBondContact O-CB 3.16Å; S360-A364 PolarHBondContact O-N 3.41Å; S360-A364 VanDerWaalsContact O-N 3.13Å
361I97.3Very high96.8Very high15 Ų1543.5 Ų43.58%0.07727%0.267CS..Hα-helixtrans-63.4-50178.5-64.6172.4000110.2P329 M332 F354 A357 D358 P359 M365 F420P329-I361 HydrophobicContact CB-CD1 4.33Å; P329-I361 HydrophobicContact CG-CD1 3.87Å; M332-I361 HydrophobicContact CG-CD1 3.81Å; M332-I361 HydrophobicContact SD-CD1 4.08Å; F354-I361 HydrophobicContact CD1-CG2 3.77Å; F354-I361 HydrophobicContact CE1-CG2 3.54Å; F354-I361 HydrophobicContact CG-CG2 4.4Å; F354-I361 HydrophobicContact CZ-CG2 4Å; A357-I361 HydrophobicContact CB-CD1 4.43Å; D358-I361 HydrophobicContact CB-CD1 4.03Å; D358-I361 HydrophobicContact CB-CG1 4.2Å; D358-I361 WeakPolarHBondContact O-CB 3.25Å; D358-I361 PolarHBondContact O-N 2.95Å; P359-I361 PolarHBondContact O-N 2.78Å; I361-M365 VanDerWaalsContact O-CE 3.25Å; I361-M365 WeakPolarHBondContact O-CE 3.5Å; I361-F420 HydrophobicContact CD1-CD2 3.98Å; I361-F420 HydrophobicContact CD1-CE2 4.1Å; I361-F420 HydrophobicContact CG1-CD2 4Å; I361-F420 HydrophobicContact CG1-CE2 4.36Å; I361-F420 HydrophobicContact CG2-CB 3.83Å; I361-F420 HydrophobicContact CG2-CD2 3.97Å; I361-F420 HydrophobicContact CG2-CG 4.25Å
362R97.3Very high96.7Very high48 Ų4844.2 Ų44.218%0.18127%0.272CS..Hα-helixtrans-69.6-41.6178.1-173.6-175.160.181.86.5111.3F354 P359 A364 M365 I368 E370F354-R362 HydrophobicContact CB-CB 4.18Å; F354-R362 HydrophobicContact CD2-CB 3.85Å; F354-R362 HydrophobicContact CD2-CG 4.02Å; F354-R362 HydrophobicContact CG-CB 4.27Å; P359-R362 PolarHBondContact O-N 2.83Å; R362-A364 PolarHBondContact O-N 3.26Å; R362-A364 VanDerWaalsContact O-N 3.17Å; R362-M365 PolarHBondContact O-N 2.96Å; R362-M365 VanDerWaalsContact O-N 3.1Å; R362-I368 HydrophobicContact CG-CB 4.2Å; R362-I368 HydrophobicContact CG-CG2 4.12Å; R362-E370 IonicContact CZ-OE1 2.72Å; R362-E370 IonicContact CZ-OE2 2.78Å; R362-E370 IonicContact NE-OE2 3.08Å; R362-E370 IonicContact NH1-OE1 3.31Å; R362-E370 PolarHBondContact NH1-OE1 2.92Å; R362-E370 IonicContact NH1-OE2 2.86Å; R362-E370 IonicContact NH2-OE1 3.45Å; R362-E370 PolarHBondContact NH2-OE1 3.45Å; R362-E370 IonicContact NH2-OE2 3.02Å; R362-E370 PolarHBondContact NH2-OE2 3.11Å
363A96.5Very high96.5Very high57 Ų5748.9 Ų48.947%0.47130%0.3SS..Hα-helixtrans-63.5-20.6-177.700000113.8P359 S360 M365P359-A363 WeakPolarHBondContact O-CB 2.94Å; P359-A363 PolarHBondContact O-N 2.92Å; S360-A363 PolarHBondContact O-N 3.05Å; A363-M365 PolarHBondContact O-N 2.98Å
364A96.5Very high96.2Very high34 Ų3454.1 Ų54.128%0.28132%0.323SS..THydrogen-bonded Turntrans-70.4-7.1175.300000113.9R84 S360 R362 Y419R84-A364 WeakPolarHBondContact CD-O 3.25Å; R84-A364 WeakPolarHBondContact CG-O 3.35Å; S360-A364 WeakPolarHBondContact O-CB 3.16Å; S360-A364 PolarHBondContact O-N 3.41Å; S360-A364 VanDerWaalsContact O-N 3.13Å; R362-A364 PolarHBondContact O-N 3.26Å; R362-A364 VanDerWaalsContact O-N 3.17Å; A364-Y419 HydrophobicContact CB-CD1 4.11Å; A364-Y419 HydrophobicContact CB-CE1 4.08Å; A364-Y419 WeakPolarHBondContact O-CE1 3.21Å
365M97.3Very high96Very high9 Ų958.5 Ų58.54%0.04434%0.344CS..SBendtrans-136.7159.4-175.3-61.7172.4-74.500111.3P85 F87 F354 I361 R362 A363 I368 Y419 F420 P422P85-M365 HydrophobicContact CB-CG 4.24Å; P85-M365 HydrophobicContact CG-CG 4.32Å; F87-M365 HydrophobicContact CD2-CB 4.5Å; F87-M365 HydrophobicContact CE2-CB 4.23Å; F87-M365 HydrophobicContact CE2-CG 4.21Å; F87-M365 HydrophobicContact CE2-SD 3.7Å; F87-M365 HydrophobicContact CZ-SD 4.4Å; F354-M365 HydrophobicContact CE2-CE 3.8Å; F354-M365 HydrophobicContact CZ-CE 3.82Å; I361-M365 VanDerWaalsContact O-CE 3.25Å; I361-M365 WeakPolarHBondContact O-CE 3.5Å; R362-M365 PolarHBondContact O-N 2.96Å; R362-M365 VanDerWaalsContact O-N 3.1Å; A363-M365 PolarHBondContact O-N 2.98Å; M365-I368 HydrophobicContact CB-CD1 4.18Å; M365-I368 HydrophobicContact CE-CD1 3.97Å; M365-I368 HydrophobicContact SD-CD1 4.38Å; M365-Y419 HydrophobicContact CG-CD1 4.2Å; M365-F420 WeakPolarHBondContact CE-O 3.22Å; M365-P422 WeakPolarHBondContact SD-CD 3.35Å; M365-P422 HydrophobicContact SD-CG 4.25Å
366D97.5Very high96Very high49 Ų4957.4 Ų57.426%0.26234%0.338SS..BIsolated β-bridgetrans-105.8157.3175.4-76.2-43.4000112.4R84 P85 R86 F87 I368R84-D366 IonicContact CZ-OD1 2.99Å; R84-D366 IonicContact CZ-OD2 2.71Å; R84-D366 VanDerWaalsContact NE-CG 3.28Å; R84-D366 IonicContact NE-OD1 2.72Å; R84-D366 PolarHBondContact NE-OD1 2.83Å; R84-D366 IonicContact NE-OD2 3.45Å; R84-D366 PolarHBondContact NE-OD2 2.69Å; R84-D366 IonicContact NH1-OD1 2.91Å; R84-D366 IonicContact NH2-OD1 3.42Å; R84-D366 PolarHBondContact NH2-OD1 3.07Å; R84-D366 IonicContact NH2-OD2 3.78Å; R84-D366 PolarHBondContact NH2-OD2 2.67Å; P85-D366 PolarHBondContact O-N 2.9Å; R86-D366 WeakPolarHBondContact CA-O 3.36Å; R86-D366 HydrophobicContact CB-CB 3.99Å; R86-D366 HydrophobicContact CG-CB 3.83Å; F87-D366 PolarHBondContact N-O 3.25Å; D366-I368 VanDerWaalsContact C-N 3.31Å; D366-I368 PolarHBondContact O-N 2.93Å
367G96.9Very high96Very high53 Ų5355.8 Ų55.855%0.54632%0.318SS..SBendtrans84.8-1.3173.300000115.3F87F87-G367 VanDerWaalsContact O-CA 3.25Å; F87-G367 WeakPolarHBondContact O-CA 3.48Å
368I96.9Very high95.9Very high13 Ų1356.4 Ų56.47%0.06732%0.321CS..  trans-96.4112.6174.9-47.6178.8000108.8F87 H353 F354 R362 M365 D366 P422F87-I368 HydrophobicContact CD2-CD1 4.29Å; F87-I368 HydrophobicContact CD2-CG1 4.34Å; H353-I368 HydrophobicContact CB-CG2 4.45Å; F354-I368 HydrophobicContact CD2-CD1 4.31Å; F354-I368 HydrophobicContact CD2-CG2 4.22Å; F354-I368 HydrophobicContact CE2-CD1 3.61Å; F354-I368 HydrophobicContact CE2-CG2 4.46Å; R362-I368 HydrophobicContact CG-CB 4.2Å; R362-I368 HydrophobicContact CG-CG2 4.12Å; M365-I368 HydrophobicContact CB-CD1 4.18Å; M365-I368 HydrophobicContact CE-CD1 3.97Å; M365-I368 HydrophobicContact SD-CD1 4.38Å; D366-I368 VanDerWaalsContact C-N 3.31Å; D366-I368 PolarHBondContact O-N 2.93Å; I368-P422 HydrophobicContact CD1-CB 4.49Å; I368-P422 HydrophobicContact CD1-CG 3.76Å
369R95.9Very high95.8Very high102 Ų10254 Ų5439%0.38531%0.308SS..PPolyproline II helixtrans-61159.5179.764.9168.3-178.579.5-5.2112.3H353 D376H353-R369 VanDerWaalsContact CD2-CG 3.41Å; H353-R369 WeakPolarHBondContact CD2-CG 3.21Å; H353-R369 PolarHBondContact CE1-NE 3.13Å; H353-R369 PolarHBondContact CE1-NH2 3.45Å; H353-R369 PolarHBondContact ND1-NH2 2.74Å; R369-D376 IonicContact CZ-OD1 3.62Å; R369-D376 IonicContact CZ-OD2 3.47Å; R369-D376 IonicContact NH1-OD1 3.72Å; R369-D376 IonicContact NH1-OD2 2.78Å; R369-D376 PolarHBondContact NH1-OD2 2.84Å; R369-D376 IonicContact NH2-OD1 2.74Å; R369-D376 PolarHBondContact NH2-OD1 2.78Å; R369-D376 IonicContact NH2-OD2 3.31Å; R369-D376 PolarHBondContact NH2-OD2 3.29Å
370E96.9Very high95.8Very high122 Ų12250 Ų5057%0.5728%0.281SS*.PPolyproline II helixtrans-57.7139.5169.9-67-62.9152.200110.7R362R362-E370 IonicContact CZ-OE1 2.72Å; R362-E370 IonicContact CZ-OE2 2.78Å; R362-E370 IonicContact NE-OE2 3.08Å; R362-E370 IonicContact NH1-OE1 3.31Å; R362-E370 PolarHBondContact NH1-OE1 2.92Å; R362-E370 IonicContact NH1-OE2 2.86Å; R362-E370 IonicContact NH2-OE1 3.45Å; R362-E370 PolarHBondContact NH2-OE1 3.45Å; R362-E370 IonicContact NH2-OE2 3.02Å; R362-E370 PolarHBondContact NH2-OE2 3.11Å
371P96.5Very high95.9Very high42 Ų4247 Ų4727%0.27326%0.259SS..PPolyproline II helixtrans-69.7136.517827.1-32.8000111.3H353 L355 D376H353-P371 HydrophobicContact CB-CB 4.2Å; L355-P371 HydrophobicContact CB-CB 3.73Å; L355-P371 HydrophobicContact CD1-CB 3.94Å; L355-P371 HydrophobicContact CG-CB 4.45Å; P371-D376 WeakPolarHBondContact CA-OD2 3.42Å
372D95.6Very high95.8Very high63 Ų6346.2 Ų46.234%0.33726%0.256SS..  trans-112.1118177.617695000109.6K374 H375 D376D372-K374 PolarHBondContact O-N 3.06Å; D372-K374 VanDerWaalsContact O-N 3.14Å; D372-K374 WeakPolarHBondContact OD2-CA 3.49Å; D372-K374 VanDerWaalsContact OD2-CB 3.28Å; D372-K374 WeakPolarHBondContact OD2-CB 3.45Å; D372-K374 PolarHBondContact OD2-N 3.09Å; D372-H375 HydrophobicContact CB-CB 4.46Å; D372-H375 PolarHBondContact O-N 2.91Å; D372-H375 IonicContact OD1-ND1 3.88Å; D372-H375 IonicContact OD2-CE1 3.77Å; D372-H375 IonicContact OD2-CG 3.45Å; D372-H375 PolarHBondContact OD2-N 3.21Å; D372-H375 IonicContact OD2-ND1 2.73Å; D372-H375 PolarHBondContact OD2-ND1 3.04Å; D372-D376 PolarHBondContact N-OD2 2.89Å; D372-D376 VanDerWaalsContact O-CB 3.28Å; D372-D376 WeakPolarHBondContact O-CB 3.41Å; D372-D376 PolarHBondContact O-N 3.5Å
373V93.4Very high95.7Very high97 Ų9744.1 Ų44.159%0.58825%0.248SC*.Hα-helixtrans-58.7-32.7-175.8178.20000112.1L355 S377L355-V373 HydrophobicContact CD1-CG2 4Å; V373-S377 WeakPolarHBondContact O-CB 3.46Å; V373-S377 PolarHBondContact O-N 2.83Å; V373-S377 PolarHBondContact O-OG 3.26Å
374K91.7Very high95.6Very high112 Ų11241.9 Ų41.949%0.48723%0.229SC..Hα-helixtrans-73.4-39.7-178.4179.2-176.6174.1-173.90111.5D372 S530D372-K374 PolarHBondContact O-N 3.06Å; D372-K374 VanDerWaalsContact O-N 3.14Å; D372-K374 WeakPolarHBondContact OD2-CA 3.49Å; D372-K374 VanDerWaalsContact OD2-CB 3.28Å; D372-K374 WeakPolarHBondContact OD2-CB 3.45Å; D372-K374 PolarHBondContact OD2-N 3.09Å; K374-S530 PolarHBondContact NZ-OG 3.01Å
375H92.8Very high95.3Very high100 Ų10042.6 Ų42.646%0.46323%0.228SC..Hα-helixtrans-99.1-20.6-173.4-58.697.4000114.3D372 K395D372-H375 HydrophobicContact CB-CB 4.46Å; D372-H375 PolarHBondContact O-N 2.91Å; D372-H375 IonicContact OD1-ND1 3.88Å; D372-H375 IonicContact OD2-CE1 3.77Å; D372-H375 IonicContact OD2-CG 3.45Å; D372-H375 PolarHBondContact OD2-N 3.21Å; D372-H375 IonicContact OD2-ND1 2.73Å; D372-H375 PolarHBondContact OD2-ND1 3.04Å; H375-K395 VanDerWaalsContact O-CD 3.29Å; H375-K395 WeakPolarHBondContact O-CD 3.43Å; H375-K395 WeakPolarHBondContact O-CE 3.4Å; H375-K395 PolarHBondContact O-NZ 2.75Å
376D96.3Very high95Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-104.1-13.1-177.7-61.2-40.7000112.7P352 H353 L355 R369 P371 D372P352-D376 HydrophobicContact CB-CB 4.06Å; P352-D376 WeakPolarHBondContact CD-O 3.19Å; H353-D376 IonicContact CE1-OD1 3.7Å; H353-D376 IonicContact CG-OD2 3.78Å; H353-D376 IonicContact ND1-OD1 2.94Å; H353-D376 PolarHBondContact ND1-OD1 3.06Å; H353-D376 IonicContact ND1-OD2 3.55Å; L355-D376 HydrophobicContact CB-CB 4.06Å; L355-D376 HydrophobicContact CD2-CB 3.87Å; R369-D376 IonicContact CZ-OD1 3.62Å; R369-D376 IonicContact CZ-OD2 3.47Å; R369-D376 IonicContact NH1-OD1 3.72Å; R369-D376 IonicContact NH1-OD2 2.78Å; R369-D376 PolarHBondContact NH1-OD2 2.84Å; R369-D376 IonicContact NH2-OD1 2.74Å; R369-D376 PolarHBondContact NH2-OD1 2.78Å; R369-D376 IonicContact NH2-OD2 3.31Å; R369-D376 PolarHBondContact NH2-OD2 3.29Å; P371-D376 WeakPolarHBondContact CA-OD2 3.42Å; D372-D376 PolarHBondContact N-OD2 2.89Å; D372-D376 VanDerWaalsContact O-CB 3.28Å; D372-D376 WeakPolarHBondContact O-CB 3.41Å; D372-D376 PolarHBondContact O-N 3.5Å
377S95Very high94.7Very high14 Ų1440 Ų4010%0.09821%0.214CC..SBendtrans-74.2142.2178.4-62.50000113.5Q351 L355 V373Q351-S377 VanDerWaalsContact OE1-CA 3.27Å; L355-S377 WeakPolarHBondContact CD2-OG 3.5Å; V373-S377 WeakPolarHBondContact O-CB 3.46Å; V373-S377 PolarHBondContact O-N 2.83Å; V373-S377 PolarHBondContact O-OG 3.26Å
378T95.1Very high94.5Very high26 Ų2639.5 Ų39.516%0.1620%0.197CC..  trans-71.5124.2160.5-72.10000110.6F393 K394 K395T378-F393 CarbonylContact C-O 3.56Å; T378-F393 VanDerWaalsContact CA-O 3.25Å; T378-F393 WeakPolarHBondContact CA-O 3.44Å; T378-K394 HydrophobicContact CG2-CB 4.42Å; T378-K394 HydrophobicContact CG2-CG 4.43Å; T378-K395 PolarHBondContact OG1-N 2.92Å; T378-K395 PolarHBondContact OG1-O 3Å; T378-K395 VanDerWaalsContact OG1-O 3.04Å
379I95.5Very high94.4Very high9 Ų940.6 Ų40.65%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-134.1135.5-174.9-60.1151.6000110R297 F298 L381 F393R297-I379 HydrophobicContact CG-CG2 3.79Å; F298-I379 WeakPolarHBondContact O-CA 3.36Å; I379-L381 HydrophobicContact CG2-CD2 3.69Å; I379-L381 HydrophobicContact CG2-CG 4.28Å; I379-F393 PolarHBondContact N-O 2.85Å; I379-F393 PolarHBondContact O-N 2.95Å
380L95.7Very high94.3Very high9 Ų936.3 Ų36.35%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-119.4131.5170.3-51.6173.2000109.1F268 F298 I382 V389 A392 K394F268-L380 HydrophobicContact CE1-CD1 4.03Å; F268-L380 HydrophobicContact CE2-CD1 3.87Å; F268-L380 HydrophobicContact CZ-CD1 3.32Å; F298-L380 HydrophobicContact CB-CB 4.24Å; F298-L380 PolarHBondContact N-O 2.9Å; F298-L380 PolarHBondContact O-N 2.83Å; L380-I382 HydrophobicContact CB-CD1 4.25Å; L380-I382 HydrophobicContact CB-CG1 4.17Å; L380-V389 HydrophobicContact CD2-CG1 4.48Å; L380-A392 HydrophobicContact CD2-CB 3.65Å; L380-K394 HydrophobicContact CD2-CG 4.31Å
381L96.5Very high94.2Very high12 Ų1230.6 Ų30.66%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-111.5110.3175.6-51.9-174000108.8A285 L295 L296 R297 I379 L390 E391A285-L381 HydrophobicContact CB-CD1 4.3Å; A285-L381 HydrophobicContact CB-CD2 4.1Å; L295-L381 HydrophobicContact CB-CB 4.06Å; L295-L381 HydrophobicContact CD1-CB 3.63Å; L295-L381 HydrophobicContact CD1-CD1 4.36Å; L295-L381 HydrophobicContact CG-CB 4.43Å; L296-L381 WeakPolarHBondContact O-CA 3.39Å; R297-L381 HydrophobicContact CB-CD2 3.75Å; R297-L381 HydrophobicContact CG-CD2 3.76Å; I379-L381 HydrophobicContact CG2-CD2 3.69Å; I379-L381 HydrophobicContact CG2-CG 4.28Å; L381-L390 PolarHBondContact O-N 3.48Å; L381-E391 HydrophobicContact CB-CB 4.02Å; L381-E391 HydrophobicContact CD1-CB 4.05Å; L381-E391 HydrophobicContact CD1-CG 4.41Å; L381-E391 HydrophobicContact CG-CB 4.19Å; L381-E391 PolarHBondContact N-O 2.9Å; L381-E391 PolarHBondContact O-N 3.01Å
382I96.3Very high94.2Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-119133.7-166.9-47.8-177.5000109.5I256 L260 I266 L295 L296 F298 L380 P384 F388 V389I256-I382 HydrophobicContact CG1-CD1 4.16Å; L260-I382 HydrophobicContact CD1-CB 4.16Å; L260-I382 HydrophobicContact CD1-CD1 4.44Å; L260-I382 HydrophobicContact CD1-CG2 3.58Å; I266-I382 HydrophobicContact CD1-CD1 3.52Å; L295-I382 WeakPolarHBondContact CA-O 3.27Å; L296-I382 PolarHBondContact N-O 3.36Å; L296-I382 PolarHBondContact O-N 3.29Å; F298-I382 HydrophobicContact CD2-CB 4.29Å; F298-I382 HydrophobicContact CD2-CD1 3.62Å; F298-I382 HydrophobicContact CD2-CG1 3.91Å; F298-I382 HydrophobicContact CE2-CB 4.21Å; F298-I382 HydrophobicContact CE2-CD1 3.9Å; F298-I382 HydrophobicContact CE2-CG1 4.26Å; F298-I382 HydrophobicContact CG-CD1 4.22Å; L380-I382 HydrophobicContact CB-CD1 4.25Å; L380-I382 HydrophobicContact CB-CG1 4.17Å; I382-P384 WeakPolarHBondContact O-CD 3.49Å; I382-F388 WeakPolarHBondContact CA-O 3.47Å; I382-F388 WeakPolarHBondContact CG2-O 3.39Å; I382-V389 HydrophobicContact CD1-CG2 4.26Å; I382-V389 HydrophobicContact CG1-CG2 4.2Å
383E94.9Very high94.2Very high3 Ų328.7 Ų28.71%0.01415%0.149CC..  trans-73.1118.8171.9-161.7-70.9126.500109.1L295 N385 T386 G387 F388 L390 L445L295-E383 HydrophobicContact CD2-CB 3.93Å; L295-E383 HydrophobicContact CD2-CG 4.47Å; E383-N385 VanDerWaalsContact C-N 3.31Å; E383-N385 VanDerWaalsContact CD-N 3.31Å; E383-N385 PolarHBondContact O-N 2.78Å; E383-N385 WeakPolarHBondContact OE1-CB 3.36Å; E383-N385 PolarHBondContact OE1-N 3.38Å; E383-N385 PolarHBondContact OE1-ND2 2.71Å; E383-N385 WeakPolarHBondContact OE2-CA 3.46Å; E383-N385 WeakPolarHBondContact OE2-CB 3.34Å; E383-N385 PolarHBondContact OE2-N 2.88Å; E383-T386 WeakPolarHBondContact OE2-CB 3.15Å; E383-T386 WeakPolarHBondContact OE2-CG2 3.19Å; E383-T386 PolarHBondContact OE2-N 2.88Å; E383-T386 PolarHBondContact OE2-OG1 2.86Å; E383-G387 WeakPolarHBondContact O-CA 3.41Å; E383-G387 PolarHBondContact O-N 3.49Å; E383-F388 PolarHBondContact N-O 3.11Å; E383-L390 HydrophobicContact CB-CD1 4.14Å; E383-L390 HydrophobicContact CB-CG 4.32Å; E383-L445 HydrophobicContact CG-CD1 4.38Å; E383-L445 HydrophobicContact CG-CD2 4.05Å; E383-L445 WeakPolarHBondContact OE1-CD2 3.26Å
384P94.1Very high94.3Very high11 Ų1126.8 Ų26.87%0.07113%0.132CC..THydrogen-bonded Turntrans-67-28.1-167.424.2-35.4000114.4G259 L260 W284 L296 I382G259-P384 CarbonylContact C-O 3.38Å; G259-P384 WeakPolarHBondContact CA-O 3.49Å; G259-P384 PolarHBondContact N-O 2.72Å; L260-P384 HydrophobicContact CB-CB 4.22Å; L260-P384 PolarHBondContact N-O 2.82Å; L260-P384 WeakPolarHBondContact O-CB 3.42Å; W284-P384 HydrophobicContact CH2-CG 4.16Å; W284-P384 HydrophobicContact CZ3-CG 4.05Å; L296-P384 HydrophobicContact CD1-CB 3.87Å; L296-P384 HydrophobicContact CG-CB 4.22Å; I382-P384 WeakPolarHBondContact O-CD 3.49Å
385N90.4Very high94.5Very high49 Ų4923 Ų2326%0.26212%0.116SC..THydrogen-bonded Turntrans-80.9-35.5-174.7-57.9-62.9000112.7P258 E383 K448P258-N385 WeakPolarHBondContact CB-O 3.45Å; E383-N385 VanDerWaalsContact C-N 3.31Å; E383-N385 VanDerWaalsContact CD-N 3.31Å; E383-N385 PolarHBondContact O-N 2.78Å; E383-N385 WeakPolarHBondContact OE1-CB 3.36Å; E383-N385 PolarHBondContact OE1-N 3.38Å; E383-N385 PolarHBondContact OE1-ND2 2.71Å; E383-N385 WeakPolarHBondContact OE2-CA 3.46Å; E383-N385 WeakPolarHBondContact OE2-CB 3.34Å; E383-N385 PolarHBondContact OE2-N 2.88Å; N385-K448 PolarHBondContact OD1-NZ 2.83Å
386T90.6Very high94.7Very high3 Ų319.4 Ų19.42%0.01810%0.101CC..THydrogen-bonded Turntrans-98.7-27.2-179.162.90000113.2L45 E383 F388 I444L45-T386 HydrophobicContact CD2-CG2 4.48Å; E383-T386 WeakPolarHBondContact OE2-CB 3.15Å; E383-T386 WeakPolarHBondContact OE2-CG2 3.19Å; E383-T386 PolarHBondContact OE2-N 2.88Å; E383-T386 PolarHBondContact OE2-OG1 2.86Å; T386-F388 VanDerWaalsContact C-N 3.28Å; T386-F388 HydrophobicContact CG2-CD2 4.09Å; T386-F388 HydrophobicContact CG2-CE2 4Å; T386-F388 WeakPolarHBondContact OG1-CB 3.5Å; T386-F388 VanDerWaalsContact OG1-CD2 3.22Å; T386-F388 WeakPolarHBondContact OG1-CD2 3.19Å; T386-F388 VanDerWaalsContact OG1-CG 3.23Å; T386-F388 WeakPolarHBondContact OG1-CG 3.39Å; T386-F388 PolarHBondContact OG1-N 3.19Å; T386-F388 VanDerWaalsContact OG1-N 3.13Å; T386-I444 HydrophobicContact CG2-CD1 3.62Å; T386-I444 HydrophobicContact CG2-CG2 3.88Å
387G92.8Very high94.8Very high0 Ų019.4 Ų19.40%010%0.101CC..  trans76.813.4-169.700000113.5I256 E383 V389I256-G387 WeakPolarHBondContact CB-O 3.37Å; I256-G387 PolarHBondContact N-O 3.26Å; I256-G387 WeakPolarHBondContact O-CA 3.01Å; E383-G387 WeakPolarHBondContact O-CA 3.41Å; E383-G387 PolarHBondContact O-N 3.49Å; G387-V389 PolarHBondContact O-N 2.91Å
388F92.3Very high94.9Very high43 Ų4319.9 Ų19.919%0.18910%0.102CC..  trans-71.9124.6175-63.1-24.7000110.9L45 I53 I382 E383 T386 L390 I440 I444L45-F388 HydrophobicContact CD2-CE1 3.65Å; L45-F388 HydrophobicContact CD2-CE2 4.31Å; L45-F388 HydrophobicContact CD2-CZ 3.37Å; I53-F388 HydrophobicContact CD1-CE1 4.07Å; I53-F388 HydrophobicContact CD1-CZ 3.62Å; I382-F388 WeakPolarHBondContact CA-O 3.47Å; I382-F388 WeakPolarHBondContact CG2-O 3.39Å; E383-F388 PolarHBondContact N-O 3.11Å; T386-F388 VanDerWaalsContact C-N 3.28Å; T386-F388 HydrophobicContact CG2-CD2 4.09Å; T386-F388 HydrophobicContact CG2-CE2 4Å; T386-F388 WeakPolarHBondContact OG1-CB 3.5Å; T386-F388 VanDerWaalsContact OG1-CD2 3.22Å; T386-F388 WeakPolarHBondContact OG1-CD2 3.19Å; T386-F388 VanDerWaalsContact OG1-CG 3.23Å; T386-F388 WeakPolarHBondContact OG1-CG 3.39Å; T386-F388 PolarHBondContact OG1-N 3.19Å; T386-F388 VanDerWaalsContact OG1-N 3.13Å; F388-L390 HydrophobicContact CB-CD2 3.64Å; F388-L390 PolarHBondContact O-N 3.27Å; F388-L390 VanDerWaalsContact O-N 3.17Å; F388-I440 HydrophobicContact CD2-CD1 3.73Å; F388-I440 HydrophobicContact CD2-CG1 4.03Å; F388-I440 HydrophobicContact CE2-CD1 4.35Å; F388-I440 HydrophobicContact CE2-CG1 4.2Å; F388-I444 HydrophobicContact CE2-CD1 4.28Å
389V93.9Very high95Very high36 Ų3618.7 Ų18.722%0.21810%0.095CC..EExtended strand (participates in β ladder)trans-75.6100170.7-173.60000107.3I256 L380 I382 G387 A392I256-V389 HydrophobicContact CG1-CG2 3.96Å; L380-V389 HydrophobicContact CD2-CG1 4.48Å; I382-V389 HydrophobicContact CD1-CG2 4.26Å; I382-V389 HydrophobicContact CG1-CG2 4.2Å; G387-V389 PolarHBondContact O-N 2.91Å; V389-A392 HydrophobicContact CG1-CB 3.95Å
390L94.1Very high95Very high12 Ų1218.2 Ų18.26%0.0639%0.092CC..EExtended strand (participates in β ladder)trans-86.9-30.7-175.9-58.6-165.3000111.9V293 L295 L381 E383 F388 A432 L437 I440V293-L390 HydrophobicContact CG1-CD1 3.78Å; L295-L390 HydrophobicContact CD1-CB 4.28Å; L295-L390 HydrophobicContact CD2-CB 4.2Å; L295-L390 HydrophobicContact CD2-CD1 3.6Å; L295-L390 HydrophobicContact CD2-CG 3.98Å; L381-L390 PolarHBondContact O-N 3.48Å; E383-L390 HydrophobicContact CB-CD1 4.14Å; E383-L390 HydrophobicContact CB-CG 4.32Å; F388-L390 HydrophobicContact CB-CD2 3.64Å; F388-L390 PolarHBondContact O-N 3.27Å; F388-L390 VanDerWaalsContact O-N 3.17Å; L390-A432 HydrophobicContact CB-CB 4.11Å; L390-A432 VanDerWaalsContact O-CB 3.28Å; L390-A432 WeakPolarHBondContact O-CB 3.39Å; L390-A432 PolarHBondContact O-N 3.47Å; L390-L437 HydrophobicContact CD1-CD2 3.6Å; L390-I440 HydrophobicContact CD1-CD1 4.43Å; L390-I440 HydrophobicContact CD2-CD1 3.55Å
391E95.3Very high95Very high2 Ų219.1 Ų19.11%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-137.7137.6171.6-47.1-177.2-169.900109.4A287 T288 L381 F393 A430 V431A287-E391 WeakPolarHBondContact CA-OE1 3.31Å; T288-E391 VanDerWaalsContact CB-OE1 3.29Å; T288-E391 WeakPolarHBondContact CB-OE1 3.46Å; T288-E391 PolarHBondContact N-OE1 2.83Å; T288-E391 PolarHBondContact OG1-OE1 2.84Å; T288-E391 PolarHBondContact OG1-OE2 3.21Å; L381-E391 HydrophobicContact CB-CB 4.02Å; L381-E391 HydrophobicContact CD1-CB 4.05Å; L381-E391 HydrophobicContact CD1-CG 4.41Å; L381-E391 HydrophobicContact CG-CB 4.19Å; L381-E391 PolarHBondContact N-O 2.9Å; L381-E391 PolarHBondContact O-N 3.01Å; E391-F393 HydrophobicContact CB-CE2 4Å; E391-A430 CarbonylContact C-O 3.53Å; E391-A430 VanDerWaalsContact CA-O 3.23Å; E391-A430 WeakPolarHBondContact CA-O 3.5Å; E391-V431 HydrophobicContact CG-CG1 4.02Å
392A95.3Very high94.9Very high10 Ų1018.8 Ų18.88%0.0839%0.094CC..EExtended strand (participates in β ladder)trans-136.9136.9175.900000108.8L380 V389 F429 A430L380-A392 HydrophobicContact CD2-CB 3.65Å; V389-A392 HydrophobicContact CG1-CB 3.95Å; A392-F429 WeakPolarHBondContact O-CA 3.46Å; A392-F429 WeakPolarHBondContact O-CB 3.32Å; A392-A430 PolarHBondContact N-O 2.8Å; A392-A430 PolarHBondContact O-N 2.77Å
393F95.5Very high94.6Very high55 Ų5522.2 Ų22.224%0.24111%0.11CC..EExtended strand (participates in β ladder)trans-132.287.3173.9-56.6-87000106.6T378 I379 E391 F429 V431T378-F393 CarbonylContact C-O 3.56Å; T378-F393 VanDerWaalsContact CA-O 3.25Å; T378-F393 WeakPolarHBondContact CA-O 3.44Å; I379-F393 PolarHBondContact N-O 2.85Å; I379-F393 PolarHBondContact O-N 2.95Å; E391-F393 HydrophobicContact CB-CE2 4Å; F393-F429 HydrophobicContact CD1-CB 3.81Å; F393-F429 HydrophobicContact CE1-CB 4.24Å; F393-V431 HydrophobicContact CE1-CG2 4.14Å; F393-V431 HydrophobicContact CZ-CG2 3.83Å
394K95.5Very high94.2Very high56 Ų5624.1 Ų24.124%0.24312%0.12CC..EExtended strand (participates in β ladder)trans-92.3125.6178.7-54.8177.2-169.1158.70108.6T378 L380 T427 E428T378-K394 HydrophobicContact CG2-CB 4.42Å; T378-K394 HydrophobicContact CG2-CG 4.43Å; L380-K394 HydrophobicContact CD2-CG 4.31Å; K394-T427 CarbonylContact O-C 3.39Å; K394-T427 WeakPolarHBondContact O-CA 3.41Å; K394-E428 HydrophobicContact CB-CB 4.26Å; K394-E428 WeakPolarHBondContact CD-OE1 3.48Å; K394-E428 WeakPolarHBondContact CE-OE1 3.48Å; K394-E428 PolarHBondContact N-O 3.23Å; K394-E428 IonicContact NZ-OE1 2.79Å; K394-E428 PolarHBondContact NZ-OE1 3.01Å; K394-E428 PolarHBondContact O-N 3.06Å
395K96.5Very high93.7Very high32 Ų3228.9 Ų28.914%0.13914%0.137CC..EExtended strand (participates in β ladder)trans-131.1128.1-171.3-63.2-178.1-176.1166.70110.5P352 H375 T378 F426P352-K395 HydrophobicContact CG-CB 3.74Å; H375-K395 VanDerWaalsContact O-CD 3.29Å; H375-K395 WeakPolarHBondContact O-CD 3.43Å; H375-K395 WeakPolarHBondContact O-CE 3.4Å; H375-K395 PolarHBondContact O-NZ 2.75Å; T378-K395 PolarHBondContact OG1-N 2.92Å; T378-K395 PolarHBondContact OG1-O 3Å; T378-K395 VanDerWaalsContact OG1-O 3.04Å; K395-F426 VanDerWaalsContact CA-O 3.31Å; K395-F426 WeakPolarHBondContact CA-O 3.19Å
396V96.7Very high93.2Very high26 Ų2630.8 Ų30.816%0.15816%0.159CC..EExtended strand (participates in β ladder)trans-141.7141.8-179.157.40000109.4F273 A349 C350 I398 W425 F426F273-V396 HydrophobicContact CE1-CG2 4.27Å; F273-V396 HydrophobicContact CE2-CG2 4.19Å; F273-V396 HydrophobicContact CZ-CB 3.93Å; F273-V396 HydrophobicContact CZ-CG2 3.46Å; F273-V396 VanDerWaalsContact CZ-CG2 3.46Å; A349-V396 HydrophobicContact CB-CG2 3.8Å; C350-V396 CarbonylContact O-C 3.58Å; C350-V396 WeakPolarHBondContact O-CA 3.26Å; V396-I398 HydrophobicContact CG2-CD1 3.89Å; V396-W425 CarbonylContact O-C 3.47Å; V396-W425 VanDerWaalsContact O-CA 3.26Å; V396-W425 WeakPolarHBondContact O-CA 3Å; V396-W425 WeakPolarHBondContact O-CB 3.2Å; V396-F426 HydrophobicContact CG1-CB 3.95Å; V396-F426 HydrophobicContact CG1-CD2 4.03Å; V396-F426 HydrophobicContact CG1-CG 4.36Å; V396-F426 PolarHBondContact N-O 2.91Å; V396-F426 VanDerWaalsContact N-O 3.12Å; V396-F426 PolarHBondContact O-N 2.72Å
397Q98.1Very high92.6Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-111.8139.1166.3176.2175.9-46.800109.3Y71 A349 C350 N399 A424 W425Y71-Q397 HydrophobicContact CE2-CG 4.2Å; Y71-Q397 PolarHBondContact OH-OE1 2.94Å; A349-Q397 CarbonylContact C-O 3.13Å; A349-Q397 VanDerWaalsContact CA-O 3.24Å; A349-Q397 WeakPolarHBondContact CA-O 3.39Å; C350-Q397 PolarHBondContact N-O 3.42Å; C350-Q397 PolarHBondContact O-N 3.44Å; Q397-N399 PolarHBondContact NE2-OD1 2.88Å; Q397-A424 CarbonylContact C-O 3.55Å; Q397-A424 WeakPolarHBondContact CA-O 3.49Å; Q397-W425 HydrophobicContact CB-CB 3.77Å; Q397-W425 HydrophobicContact CG-CB 4.14Å
398I97.4Very high92.2Very high24 Ų2433.6 Ų33.612%0.12318%0.179CC..EExtended strand (participates in β ladder)trans-110.7132.3179.1-58.6-63.4000108.7L335 I347 A349 V396 L423 A424 F426L335-I398 HydrophobicContact CD1-CD1 3.57Å; I347-I398 HydrophobicContact CG2-CG2 3.39Å; A349-I398 HydrophobicContact CB-CD1 4.1Å; V396-I398 HydrophobicContact CG2-CD1 3.89Å; I398-L423 HydrophobicContact CG2-CD1 4.39Å; I398-L423 PolarHBondContact O-N 3.22Å; I398-A424 PolarHBondContact N-O 3.23Å; I398-A424 PolarHBondContact O-N 3.05Å; I398-F426 HydrophobicContact CB-CE2 4.05Å; I398-F426 HydrophobicContact CG1-CD2 4.04Å; I398-F426 HydrophobicContact CG1-CE2 3.46Å; I398-F426 VanDerWaalsContact CG1-CE2 3.46Å; I398-F426 HydrophobicContact CG1-CZ 4.42Å
399N97.6Very high91.9Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-133.8147-174.6-43.6-90.8000109.4M332 I347 F348 C350 F354 Q397 F420 F421 P422M332-N399 HydrophobicContact CE-CB 4.24Å; I347-N399 CarbonylContact C-O 3.56Å; I347-N399 WeakPolarHBondContact CA-O 3.25Å; F348-N399 PolarHBondContact N-O 2.89Å; F348-N399 PolarHBondContact O-N 2.83Å; F348-N399 PolarHBondContact O-ND2 2.9Å; F348-N399 VanDerWaalsContact O-ND2 3.12Å; C350-N399 PolarHBondContact SG-ND2 2.81Å; F354-N399 WeakPolarHBondContact CE1-OD1 3.38Å; F354-N399 VanDerWaalsContact CZ-OD1 3.31Å; F354-N399 WeakPolarHBondContact CZ-OD1 3.3Å; Q397-N399 PolarHBondContact NE2-OD1 2.88Å; N399-F420 HydrophobicContact CB-CB 4.27Å; N399-F421 CarbonylContact C-O 3.54Å; N399-F421 WeakPolarHBondContact CA-O 3.43Å; N399-P422 WeakPolarHBondContact OD1-CA 3.2Å
400A95.9Very high91.6Very high0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-102.8130.6169.600000110.1L142 V147 P346 I347 F420 F421 L423L142-A400 HydrophobicContact CD2-CB 3.51Å; V147-A400 HydrophobicContact CG1-CB 4.22Å; P346-A400 WeakPolarHBondContact O-CA 3.46Å; I347-A400 HydrophobicContact CD1-CB 3.91Å; A400-F420 CarbonylContact O-C 3.47Å; A400-F421 PolarHBondContact N-O 2.92Å; A400-F421 WeakPolarHBondContact O-CB 3.4Å; A400-F421 PolarHBondContact O-N 2.86Å; A400-L423 HydrophobicContact CB-CD1 4.1Å; A400-L423 HydrophobicContact CB-CD2 4.46Å; A400-L423 HydrophobicContact CB-CG 4.48Å
401Y95.1Very high91.4Very high28 Ų2841.6 Ų41.611%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-80.4122.2170177.4-88.8000109.9P325 P346 E403 P418 Y419 F420P325-Y401 HydrophobicContact CG-CD2 3.89Å; P325-Y401 HydrophobicContact CG-CE1 4.49Å; P325-Y401 HydrophobicContact CG-CE2 3.51Å; P325-Y401 HydrophobicContact CG-CG 4.49Å; P346-Y401 WeakPolarHBondContact CG-O 3.3Å; P346-Y401 PolarHBondContact O-N 2.86Å; Y401-E403 HydrophobicContact CE1-CB 3.99Å; Y401-P418 HydrophobicContact CE2-CB 3.73Å; Y401-P418 HydrophobicContact CE2-CG 4.42Å; Y401-P418 WeakPolarHBondContact OH-CB 3.21Å; Y401-Y419 CarbonylContact C-O 3.57Å; Y401-Y419 VanDerWaalsContact CA-O 3.32Å; Y401-Y419 WeakPolarHBondContact CA-O 3.33Å; Y401-F420 HydrophobicContact CD2-CD1 4.15Å; Y401-F420 HydrophobicContact CD2-CD2 4.32Å; Y401-F420 AromaticContact CD2-CE1 3.81Å; Y401-F420 HydrophobicContact CD2-CE1 3.81Å; Y401-F420 AromaticContact CD2-CE2 3.96Å; Y401-F420 HydrophobicContact CD2-CE2 3.96Å; Y401-F420 HydrophobicContact CD2-CG 4.41Å; Y401-F420 AromaticContact CD2-CZ 3.71Å; Y401-F420 HydrophobicContact CD2-CZ 3.71Å; Y401-F420 HydrophobicContact CE2-CE2 4.32Å; Y401-F420 HydrophobicContact CE2-CZ 4.28Å; Y401-F420 HydrophobicContact CG-CE1 4.41Å
402I93.7Very high91.3Very high5 Ų541.6 Ų41.63%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-125.8142.117761177.8000111.4L142 V147 M415 P418 Y419 F421L142-I402 HydrophobicContact CD1-CD1 4.01Å; L142-I402 HydrophobicContact CD1-CG2 4.21Å; L142-I402 HydrophobicContact CD2-CG2 3.57Å; L142-I402 HydrophobicContact CG-CG2 4.47Å; V147-I402 HydrophobicContact CG2-CG2 4.05Å; I402-M415 HydrophobicContact CD1-CE 4.4Å; I402-M415 HydrophobicContact CD1-SD 3.57Å; I402-M415 VanDerWaalsContact CD1-SD 3.57Å; I402-M415 HydrophobicContact CG1-SD 4.39Å; I402-P418 CarbonylContact O-C 3.53Å; I402-P418 WeakPolarHBondContact O-CA 3.35Å; I402-P418 WeakPolarHBondContact O-CB 3.46Å; I402-Y419 HydrophobicContact CD1-CD2 4.27Å; I402-Y419 HydrophobicContact CG1-CD2 4.3Å; I402-Y419 PolarHBondContact N-O 3.42Å; I402-Y419 PolarHBondContact O-N 3.06Å; I402-F421 HydrophobicContact CD1-CB 4.09Å; I402-F421 HydrophobicContact CD1-CD2 3.55Å; I402-F421 HydrophobicContact CD1-CE2 4.28Å; I402-F421 HydrophobicContact CD1-CG 4.1Å; I402-F421 HydrophobicContact CG1-CB 4.34Å; I402-F421 HydrophobicContact CG1-CD2 4.5Å
403E90.6Very high91.2Very high72 Ų7246 Ų4634%0.33624%0.235SC..  trans-145.7133.3178.2-179.8-178.8-153.600107.2Y401 R405 P418Y401-E403 HydrophobicContact CE1-CB 3.99Å; E403-R405 VanDerWaalsContact C-N 3.31Å; E403-R405 HydrophobicContact CB-CG 4.42Å; E403-R405 HydrophobicContact CG-CG 4.14Å; E403-R405 PolarHBondContact O-N 2.76Å; E403-R405 IonicContact OE2-CZ 2.7Å; E403-R405 IonicContact OE2-NE 2.82Å; E403-R405 PolarHBondContact OE2-NE 2.8Å; E403-R405 IonicContact OE2-NH2 2.78Å; E403-R405 PolarHBondContact OE2-NH2 3.49Å; E403-P418 HydrophobicContact CB-CB 4.2Å; E403-P418 HydrophobicContact CG-CB 4.43Å
404N87Confident91.2Very high43 Ų4349.1 Ų49.123%0.2325%0.253CS..  trans-7687.1177.5-168.211.4000109.9N409 K413N404-N409 WeakPolarHBondContact OD1-CA 3.3Å; N404-N409 PolarHBondContact OD1-OD1 3.1Å; N404-N409 VanDerWaalsContact OD1-OD1 3.09Å; N404-K413 PolarHBondContact ND2-O 3.2Å
405R83Confident91.2Very high111 Ų11146.7 Ų46.742%0.41924%0.243SC..  trans-87.6154.2175.8-63.9-175177-174.8-1.8109.5E403 S407 L408 N409E403-R405 VanDerWaalsContact C-N 3.31Å; E403-R405 HydrophobicContact CB-CG 4.42Å; E403-R405 HydrophobicContact CG-CG 4.14Å; E403-R405 PolarHBondContact O-N 2.76Å; E403-R405 IonicContact OE2-CZ 2.7Å; E403-R405 IonicContact OE2-NE 2.82Å; E403-R405 PolarHBondContact OE2-NE 2.8Å; E403-R405 IonicContact OE2-NH2 2.78Å; E403-R405 PolarHBondContact OE2-NH2 3.49Å; R405-S407 PolarHBondContact O-N 2.79Å; R405-L408 WeakPolarHBondContact O-CA 3.4Å; R405-L408 PolarHBondContact O-N 3.25Å; R405-N409 VanDerWaalsContact C-OD1 3.31Å; R405-N409 PolarHBondContact O-N 3.32Å; R405-N409 PolarHBondContact O-OD1 3.4Å
406A79.8Confident91Very high89 Ų8948.3 Ų48.374%0.73626%0.263SS*.G310 helixtrans-47.6-33.6-18000000114.6L408 N409A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 3.38Å; A406-N409 WeakPolarHBondContact CA-OD1 3.03Å
407S78Confident90.5Very high58 Ų5848.4 Ų48.441%0.40627%0.269SS..G310 helixtrans-70.7-17.3176.954.50000115N150 F160 R405N150-S407 PolarHBondContact ND2-OG 2.9Å; N150-S407 PolarHBondContact OD1-OG 2.86Å; F160-S407 WeakPolarHBondContact CE2-O 3.41Å; F160-S407 WeakPolarHBondContact CZ-O 3.38Å; R405-S407 PolarHBondContact O-N 2.79Å
408L84.6Confident90.3Very high4 Ų451.8 Ų51.82%0.02129%0.291CS..G310 helixtrans-120.39.6-178-62.4177.9000113.3I149 N150 F160 R405 A406 E410 V411 Y412I149-L408 HydrophobicContact CG2-CD1 4.09Å; I149-L408 HydrophobicContact CG2-CD2 3.44Å; I149-L408 VanDerWaalsContact CG2-CD2 3.44Å; I149-L408 HydrophobicContact CG2-CG 4.28Å; N150-L408 WeakPolarHBondContact ND2-CD1 3.28Å; F160-L408 HydrophobicContact CE2-CD2 3.75Å; F160-L408 HydrophobicContact CZ-CD2 4.2Å; R405-L408 WeakPolarHBondContact O-CA 3.4Å; R405-L408 PolarHBondContact O-N 3.25Å; A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 3.38Å; L408-E410 PolarHBondContact O-N 3.09Å; L408-V411 HydrophobicContact CD2-CG2 4.43Å; L408-V411 WeakPolarHBondContact O-CA 3.01Å; L408-V411 PolarHBondContact O-N 3.25Å; L408-Y412 HydrophobicContact CB-CD2 3.63Å; L408-Y412 HydrophobicContact CB-CE2 3.94Å; L408-Y412 HydrophobicContact CB-CG 4.49Å; L408-Y412 HydrophobicContact CD1-CD2 4.04Å; L408-Y412 HydrophobicContact CD1-CE2 3.44Å; L408-Y412 VanDerWaalsContact CD1-CE2 3.44Å; L408-Y412 HydrophobicContact CG-CD2 4.46Å; L408-Y412 HydrophobicContact CG-CE2 4.28Å; L408-Y412 PolarHBondContact O-N 3.26Å
409N86.1Confident90.2Very high77 Ų7751.5 Ų51.541%0.41229%0.288SS..Hα-helixtrans-55.4-37.5177.9-74.55.8000112.3N404 R405 A406 V411 K413N404-N409 WeakPolarHBondContact OD1-CA 3.3Å; N404-N409 PolarHBondContact OD1-OD1 3.1Å; N404-N409 VanDerWaalsContact OD1-OD1 3.09Å; R405-N409 VanDerWaalsContact C-OD1 3.31Å; R405-N409 PolarHBondContact O-N 3.32Å; R405-N409 PolarHBondContact O-OD1 3.4Å; A406-N409 WeakPolarHBondContact CA-OD1 3.03Å; N409-V411 PolarHBondContact O-N 2.96Å; N409-K413 WeakPolarHBondContact O-CA 3.27Å; N409-K413 PolarHBondContact O-N 3.31Å
410E87.4Confident90.2Very high166 Ų16652.4 Ų52.478%0.77629%0.292SS*.Hα-helixtrans-66.4-28176.9-66-64161.300112.8L408L408-E410 PolarHBondContact O-N 3.09Å
411V91.1Very high90.3Very high15 Ų1552.5 Ų52.59%0.09129%0.293CS..Hα-helixtrans-91-46.8-177.6-174.70000111.3T146 F160 F165 A167 L408 N409T146-V411 HydrophobicContact CG2-CB 4.47Å; T146-V411 HydrophobicContact CG2-CG1 3.61Å; F160-V411 HydrophobicContact CZ-CG2 4.48Å; F165-V411 HydrophobicContact CB-CG2 4Å; A167-V411 HydrophobicContact CB-CG1 4.08Å; L408-V411 HydrophobicContact CD2-CG2 4.43Å; L408-V411 WeakPolarHBondContact O-CA 3.01Å; L408-V411 PolarHBondContact O-N 3.25Å; N409-V411 PolarHBondContact O-N 2.96Å
412Y93.2Very high90.4Very high3 Ų351.1 Ų51.11%0.01229%0.287CS..Hα-helixtrans-93.6-6.5-177.2-63.9-39000114.1L142 T146 A167 L408 D414 M415L142-Y412 HydrophobicContact CD1-CE1 4.4Å; T146-Y412 HydrophobicContact CG2-CE1 4.27Å; A167-Y412 HydrophobicContact CB-CD1 3.75Å; A167-Y412 HydrophobicContact CB-CE1 3.91Å; L408-Y412 HydrophobicContact CB-CD2 3.63Å; L408-Y412 HydrophobicContact CB-CE2 3.94Å; L408-Y412 HydrophobicContact CB-CG 4.49Å; L408-Y412 HydrophobicContact CD1-CD2 4.04Å; L408-Y412 HydrophobicContact CD1-CE2 3.44Å; L408-Y412 VanDerWaalsContact CD1-CE2 3.44Å; L408-Y412 HydrophobicContact CG-CD2 4.46Å; L408-Y412 HydrophobicContact CG-CE2 4.28Å; L408-Y412 PolarHBondContact O-N 3.26Å; Y412-D414 PolarHBondContact O-N 3.29Å; Y412-M415 HydrophobicContact CD1-CE 3.48Å; Y412-M415 VanDerWaalsContact CD1-CE 3.48Å; Y412-M415 HydrophobicContact CD1-SD 4.42Å; Y412-M415 HydrophobicContact CE1-CE 4.22Å; Y412-M415 HydrophobicContact CG-CE 3.98Å; Y412-M415 WeakPolarHBondContact O-CB 3.49Å; Y412-M415 PolarHBondContact O-N 3.35Å
413K93.3Very high90.6Very high103 Ų10351 Ų5145%0.44829%0.286SS..THydrogen-bonded Turntrans51.4-114.4173.9-57.7-174.7-162.9163.70112.5L80 N404 N409L80-K413 HydrophobicContact CB-CB 4.35Å; L80-K413 HydrophobicContact CB-CD 4.1Å; L80-K413 VanDerWaalsContact O-CB 3.23Å; L80-K413 WeakPolarHBondContact O-CB 3.3Å; N404-K413 PolarHBondContact ND2-O 3.2Å; N409-K413 WeakPolarHBondContact O-CA 3.27Å; N409-K413 PolarHBondContact O-N 3.31Å
414D94.6Very high91Very high119 Ų11947.5 Ų47.564%0.63627%0.27SS*.THydrogen-bonded Turntrans-10214-178-59.9-44.7000112.6L80 G82 Y412 A416L80-D414 WeakPolarHBondContact O-CA 3.49Å; L80-D414 PolarHBondContact O-N 3.18Å; G82-D414 WeakPolarHBondContact CA-O 3.37Å; G82-D414 PolarHBondContact N-O 3.28Å; Y412-D414 PolarHBondContact O-N 3.29Å; D414-A416 PolarHBondContact O-N 3.23Å; D414-A416 VanDerWaalsContact O-N 3.15Å
415M94.8Very high91.5Very high5 Ų546.3 Ų46.33%0.02526%0.262CS..  trans-52.8122.5179.6-176-172.6-51.300111.2V79 L80 F168 I402 Y412 Y419V79-M415 HydrophobicContact CG1-CE 3.96Å; V79-M415 HydrophobicContact CG1-CG 3.89Å; V79-M415 HydrophobicContact CG1-SD 4.22Å; V79-M415 WeakPolarHBondContact O-CA 3.38Å; L80-M415 HydrophobicContact CD2-CE 3.88Å; F168-M415 HydrophobicContact CZ-CE 3.92Å; I402-M415 HydrophobicContact CD1-CE 4.4Å; I402-M415 HydrophobicContact CD1-SD 3.57Å; I402-M415 VanDerWaalsContact CD1-SD 3.57Å; I402-M415 HydrophobicContact CG1-SD 4.39Å; Y412-M415 HydrophobicContact CD1-CE 3.48Å; Y412-M415 VanDerWaalsContact CD1-CE 3.48Å; Y412-M415 HydrophobicContact CD1-SD 4.42Å; Y412-M415 HydrophobicContact CE1-CE 4.22Å; Y412-M415 HydrophobicContact CG-CE 3.98Å; Y412-M415 WeakPolarHBondContact O-CB 3.49Å; Y412-M415 PolarHBondContact O-N 3.35Å; M415-Y419 HydrophobicContact CG-CD2 4.39Å; M415-Y419 HydrophobicContact CG-CE2 3.89Å; M415-Y419 HydrophobicContact SD-CD2 4.25Å; M415-Y419 HydrophobicContact SD-CE2 4.34Å
416A92.8Very high92.2Very high67 Ų6741.3 Ų41.355%0.55424%0.244SC*.  trans-65.5-54.9-168.300000112.7D414D414-A416 PolarHBondContact O-N 3.23Å; D414-A416 VanDerWaalsContact O-N 3.15Å
417G86.7Confident93Very high28 Ų2837.6 Ų37.629%0.28921%0.212SC..  trans50.8-175.9174.200000116.1Y419G417-Y419 VanDerWaalsContact N-CE2 3.28Å
418P93.6Very high93.9Very high71 Ų7136.5 Ų36.546%0.46120%0.2SC..  cis-68.1155.9-12.131.4-35.7000112.1Y401 I402 E403Y401-P418 HydrophobicContact CE2-CB 3.73Å; Y401-P418 HydrophobicContact CE2-CG 4.42Å; Y401-P418 WeakPolarHBondContact OH-CB 3.21Å; I402-P418 CarbonylContact O-C 3.53Å; I402-P418 WeakPolarHBondContact O-CA 3.35Å; I402-P418 WeakPolarHBondContact O-CB 3.46Å; E403-P418 HydrophobicContact CB-CB 4.2Å; E403-P418 HydrophobicContact CG-CB 4.43Å
419Y96.1Very high94.4Very high18 Ų1839 Ų397%0.07121%0.212CC..EExtended strand (participates in β ladder)trans-127.9143.7176.1-60.5-67.7000111.1P85 A364 M365 Y401 I402 M415 G417 F421P85-Y419 HydrophobicContact CG-CD1 4.44Å; P85-Y419 HydrophobicContact CG-CD2 4.27Å; P85-Y419 HydrophobicContact CG-CE1 4.16Å; P85-Y419 HydrophobicContact CG-CE2 3.96Å; A364-Y419 HydrophobicContact CB-CD1 4.11Å; A364-Y419 HydrophobicContact CB-CE1 4.08Å; A364-Y419 WeakPolarHBondContact O-CE1 3.21Å; M365-Y419 HydrophobicContact CG-CD1 4.2Å; Y401-Y419 CarbonylContact C-O 3.57Å; Y401-Y419 VanDerWaalsContact CA-O 3.32Å; Y401-Y419 WeakPolarHBondContact CA-O 3.33Å; I402-Y419 HydrophobicContact CD1-CD2 4.27Å; I402-Y419 HydrophobicContact CG1-CD2 4.3Å; I402-Y419 PolarHBondContact N-O 3.42Å; I402-Y419 PolarHBondContact O-N 3.06Å; M415-Y419 HydrophobicContact CG-CD2 4.39Å; M415-Y419 HydrophobicContact CG-CE2 3.89Å; M415-Y419 HydrophobicContact SD-CD2 4.25Å; M415-Y419 HydrophobicContact SD-CE2 4.34Å; G417-Y419 VanDerWaalsContact N-CE2 3.28Å; Y419-F421 PolarHBondContact O-N 2.72Å
420F97.1Very high94.8Very high19 Ų1936.4 Ų36.48%0.08320%0.201CC..EExtended strand (participates in β ladder)trans-89.584.4153.8-68.7-88.7000107.5P325 P329 M332 F348 F354 I361 M365 N399 A400 Y401 P422P325-F420 HydrophobicContact CG-CZ 4.05Å; P329-F420 HydrophobicContact CG-CE1 4.46Å; P329-F420 HydrophobicContact CG-CE2 3.65Å; P329-F420 HydrophobicContact CG-CZ 3.48Å; P329-F420 VanDerWaalsContact CG-CZ 3.48Å; M332-F420 HydrophobicContact CE-CB 4.01Å; M332-F420 HydrophobicContact CE-CD1 3.54Å; M332-F420 HydrophobicContact CE-CE1 4.14Å; M332-F420 HydrophobicContact CE-CG 3.85Å; M332-F420 HydrophobicContact CG-CE1 4.32Å; M332-F420 HydrophobicContact CG-CZ 4.44Å; F348-F420 HydrophobicContact CB-CD1 4.26Å; F348-F420 HydrophobicContact CB-CE1 4.35Å; F348-F420 AromaticContact CD1-CE1 3.93Å; F348-F420 HydrophobicContact CD1-CE1 3.93Å; F348-F420 HydrophobicContact CD2-CD1 4.04Å; F348-F420 AromaticContact CD2-CE1 3.77Å; F348-F420 HydrophobicContact CD2-CE1 3.77Å; F348-F420 HydrophobicContact CE1-CE1 4.14Å; F348-F420 HydrophobicContact CE2-CE1 4.02Å; F348-F420 HydrophobicContact CG-CD1 4.07Å; F348-F420 AromaticContact CG-CE1 3.75Å; F348-F420 HydrophobicContact CG-CE1 3.75Å; F348-F420 HydrophobicContact CZ-CE1 4.19Å; F354-F420 HydrophobicContact CE1-CB 4.45Å; I361-F420 HydrophobicContact CD1-CD2 3.98Å; I361-F420 HydrophobicContact CD1-CE2 4.1Å; I361-F420 HydrophobicContact CG1-CD2 4Å; I361-F420 HydrophobicContact CG1-CE2 4.36Å; I361-F420 HydrophobicContact CG2-CB 3.83Å; I361-F420 HydrophobicContact CG2-CD2 3.97Å; I361-F420 HydrophobicContact CG2-CG 4.25Å; M365-F420 WeakPolarHBondContact CE-O 3.22Å; N399-F420 HydrophobicContact CB-CB 4.27Å; A400-F420 CarbonylContact O-C 3.47Å; Y401-F420 HydrophobicContact CD2-CD1 4.15Å; Y401-F420 HydrophobicContact CD2-CD2 4.32Å; Y401-F420 AromaticContact CD2-CE1 3.81Å; Y401-F420 HydrophobicContact CD2-CE1 3.81Å; Y401-F420 AromaticContact CD2-CE2 3.96Å; Y401-F420 HydrophobicContact CD2-CE2 3.96Å; Y401-F420 HydrophobicContact CD2-CG 4.41Å; Y401-F420 AromaticContact CD2-CZ 3.71Å; Y401-F420 HydrophobicContact CD2-CZ 3.71Å; Y401-F420 HydrophobicContact CE2-CE2 4.32Å; Y401-F420 HydrophobicContact CE2-CZ 4.28Å; Y401-F420 HydrophobicContact CG-CE1 4.41Å; F420-P422 WeakPolarHBondContact O-CD 3.15Å
421F97Very high95.2Very high1 Ų130.1 Ų30.10%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-68.4114.2-173.5-154.5-84.2000110.1L73 P85 F87 L142 F168 N399 A400 I402 Y419 L423L73-F421 HydrophobicContact CB-CZ 4.49Å; L73-F421 HydrophobicContact CD1-CZ 3.94Å; L73-F421 HydrophobicContact CD2-CZ 3.89Å; L73-F421 HydrophobicContact CG-CZ 4.32Å; P85-F421 HydrophobicContact CB-CE2 4.1Å; P85-F421 HydrophobicContact CG-CE2 4.22Å; F87-F421 AromaticContact CE1-CD1 3.98Å; F87-F421 HydrophobicContact CE1-CD1 3.98Å; F87-F421 AromaticContact CE1-CE1 3.32Å; F87-F421 HydrophobicContact CE1-CE1 3.32Å; F87-F421 HydrophobicContact CE1-CE2 4.39Å; F87-F421 AromaticContact CE1-CZ 3.56Å; F87-F421 HydrophobicContact CE1-CZ 3.56Å; F87-F421 AromaticContact CZ-CD1 3.75Å; F87-F421 HydrophobicContact CZ-CD1 3.75Å; F87-F421 HydrophobicContact CZ-CD2 4.08Å; F87-F421 AromaticContact CZ-CE1 3.36Å; F87-F421 HydrophobicContact CZ-CE1 3.36Å; F87-F421 AromaticContact CZ-CE2 3.7Å; F87-F421 HydrophobicContact CZ-CE2 3.7Å; F87-F421 HydrophobicContact CZ-CG 4.11Å; F87-F421 AromaticContact CZ-CZ 3.32Å; F87-F421 HydrophobicContact CZ-CZ 3.32Å; L142-F421 HydrophobicContact CB-CD1 4.04Å; L142-F421 HydrophobicContact CB-CE1 4.15Å; L142-F421 HydrophobicContact CD2-CB 4.21Å; L142-F421 HydrophobicContact CD2-CD1 4.38Å; L142-F421 HydrophobicContact CD2-CG 4.36Å; F168-F421 HydrophobicContact CD1-CZ 4.5Å; F168-F421 HydrophobicContact CE1-CE2 4.11Å; F168-F421 AromaticContact CE1-CZ 3.79Å; F168-F421 HydrophobicContact CE1-CZ 3.79Å; N399-F421 CarbonylContact C-O 3.54Å; N399-F421 WeakPolarHBondContact CA-O 3.43Å; A400-F421 PolarHBondContact N-O 2.92Å; A400-F421 WeakPolarHBondContact O-CB 3.4Å; A400-F421 PolarHBondContact O-N 2.86Å; I402-F421 HydrophobicContact CD1-CB 4.09Å; I402-F421 HydrophobicContact CD1-CD2 3.55Å; I402-F421 HydrophobicContact CD1-CE2 4.28Å; I402-F421 HydrophobicContact CD1-CG 4.1Å; I402-F421 HydrophobicContact CG1-CB 4.34Å; I402-F421 HydrophobicContact CG1-CD2 4.5Å; Y419-F421 PolarHBondContact O-N 2.72Å; F421-L423 HydrophobicContact CD1-CD2 4.3Å
422P98Very high95.3Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-71.9135.8-176.934.2-39.6000109.8Y71 F87 F354 M365 I368 N399 F420Y71-P422 HydrophobicContact CD2-CB 3.57Å; Y71-P422 HydrophobicContact CD2-CG 4.25Å; Y71-P422 HydrophobicContact CE2-CB 3.84Å; Y71-P422 HydrophobicContact CG-CB 3.97Å; Y71-P422 HydrophobicContact CG-CG 4.14Å; F87-P422 HydrophobicContact CD1-CG 4.4Å; F87-P422 HydrophobicContact CD2-CG 3.95Å; F87-P422 HydrophobicContact CE1-CG 4.15Å; F87-P422 HydrophobicContact CE2-CG 3.7Å; F87-P422 HydrophobicContact CG-CG 4.28Å; F87-P422 HydrophobicContact CZ-CG 3.79Å; F354-P422 HydrophobicContact CE2-CB 4.49Å; F354-P422 HydrophobicContact CZ-CB 4.27Å; M365-P422 WeakPolarHBondContact SD-CD 3.35Å; M365-P422 HydrophobicContact SD-CG 4.25Å; I368-P422 HydrophobicContact CD1-CB 4.49Å; I368-P422 HydrophobicContact CD1-CG 3.76Å; N399-P422 WeakPolarHBondContact OD1-CA 3.2Å; F420-P422 WeakPolarHBondContact O-CD 3.15Å
423L97.9Very high95.3Very high1 Ų132.9 Ų32.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-109.2-50.6-178.2-55.8174.8000110.7Y71 L142 L144 L201 I347 I398 A400 F421Y71-L423 PolarHBondContact N-O 2.93Å; L142-L423 HydrophobicContact CB-CD2 3.94Å; L142-L423 HydrophobicContact CD2-CD2 4.44Å; L144-L423 HydrophobicContact CD2-CD1 3.76Å; L201-L423 HydrophobicContact CD2-CB 3.82Å; L201-L423 HydrophobicContact CD2-CD1 3.64Å; L201-L423 HydrophobicContact CD2-CG 4.36Å; I347-L423 HydrophobicContact CD1-CD1 4.32Å; I398-L423 HydrophobicContact CG2-CD1 4.39Å; I398-L423 PolarHBondContact O-N 3.22Å; A400-L423 HydrophobicContact CB-CD1 4.1Å; A400-L423 HydrophobicContact CB-CD2 4.46Å; A400-L423 HydrophobicContact CB-CG 4.48Å; F421-L423 HydrophobicContact CD1-CD2 4.3Å
424A98.3Very high95.3Very high0 Ų035.2 Ų35.20%020%0.198CC..EExtended strand (participates in β ladder)trans-160.4157.7179.100000110.9I68 Y69 L70 L201 Q397 I398 F426I68-A424 HydrophobicContact CG2-CB 4.35Å; Y69-A424 CarbonylContact O-C 3.57Å; Y69-A424 WeakPolarHBondContact O-CA 3.46Å; Y69-A424 WeakPolarHBondContact O-CB 3.38Å; L70-A424 HydrophobicContact CD2-CB 3.68Å; L201-A424 HydrophobicContact CD1-CB 3.72Å; Q397-A424 CarbonylContact C-O 3.55Å; Q397-A424 WeakPolarHBondContact CA-O 3.49Å; I398-A424 PolarHBondContact N-O 3.23Å; I398-A424 PolarHBondContact O-N 3.05Å; A424-F426 HydrophobicContact CB-CE1 4.45Å; A424-F426 HydrophobicContact CB-CE2 3.81Å; A424-F426 HydrophobicContact CB-CZ 3.71Å
425W98.2Very high95.2Very high17 Ų1737.3 Ų37.36%0.06420%0.202CC..EExtended strand (participates in β ladder)trans-123.3153.4160.371.9-90.5000111.8Y69 Y71 E89 P352 H353 V396 Q397 T427Y69-W425 VanDerWaalsContact CB-CE2 3.43Å; Y69-W425 VanDerWaalsContact CB-NE1 3.28Å; Y69-W425 AromaticContact CD1-CE2 3.93Å; Y69-W425 HydrophobicContact CD1-CH2 4.13Å; Y69-W425 AromaticContact CD1-CZ2 3.48Å; Y69-W425 HydrophobicContact CD1-CZ2 3.48Å; Y69-W425 VanDerWaalsContact CD1-CZ2 3.48Å; Y69-W425 AromaticContact CD2-CD2 3.73Å; Y69-W425 HydrophobicContact CD2-CD2 3.73Å; Y69-W425 AromaticContact CD2-CE2 3.48Å; Y69-W425 VanDerWaalsContact CD2-CE2 3.48Å; Y69-W425 AromaticContact CD2-CE3 3.75Å; Y69-W425 HydrophobicContact CD2-CE3 3.75Å; Y69-W425 AromaticContact CD2-CH2 3.33Å; Y69-W425 HydrophobicContact CD2-CH2 3.33Å; Y69-W425 AromaticContact CD2-CZ2 3.29Å; Y69-W425 HydrophobicContact CD2-CZ2 3.29Å; Y69-W425 AromaticContact CD2-CZ3 3.56Å; Y69-W425 HydrophobicContact CD2-CZ3 3.56Å; Y69-W425 AromaticContact CE1-CH2 3.94Å; Y69-W425 HydrophobicContact CE1-CH2 3.94Å; Y69-W425 AromaticContact CE1-CZ2 3.66Å; Y69-W425 HydrophobicContact CE1-CZ2 3.66Å; Y69-W425 HydrophobicContact CE2-CD2 4.49Å; Y69-W425 HydrophobicContact CE2-CE3 4.16Å; Y69-W425 AromaticContact CE2-CH2 3.11Å; Y69-W425 HydrophobicContact CE2-CH2 3.11Å; Y69-W425 AromaticContact CE2-CZ2 3.51Å; Y69-W425 HydrophobicContact CE2-CZ2 3.51Å; Y69-W425 AromaticContact CE2-CZ3 3.49Å; Y69-W425 HydrophobicContact CE2-CZ3 3.49Å; Y69-W425 VanDerWaalsContact CE2-CZ3 3.49Å; Y69-W425 AromaticContact CG-CD2 3.98Å; Y69-W425 HydrophobicContact CG-CD2 3.98Å; Y69-W425 AromaticContact CG-CE2 3.35Å; Y69-W425 HydrophobicContact CG-CE3 4.45Å; Y69-W425 AromaticContact CG-CH2 3.85Å; Y69-W425 HydrophobicContact CG-CH2 3.85Å; Y69-W425 AromaticContact CG-CZ2 3.28Å; Y69-W425 HydrophobicContact CG-CZ2 3.28Å; Y69-W425 HydrophobicContact CG-CZ3 4.39Å; Y69-W425 AromaticContact CG-NE1 3.71Å; Y69-W425 AromaticContact CZ-CH2 3.42Å; Y69-W425 VanDerWaalsContact CZ-CH2 3.42Å; Y69-W425 AromaticContact CZ-CZ2 3.67Å; Y69-W425 PolarHBondContact N-O 3.02Å; Y69-W425 PolarHBondContact O-N 3.41Å; Y71-W425 AromaticContact CE2-CD1 3.77Å; Y71-W425 AromaticContact CZ-CD1 3.69Å; Y71-W425 VanDerWaalsContact OH-CD1 3.3Å; E89-W425 VanDerWaalsContact CD-NE1 3.28Å; E89-W425 PolarHBondContact OE2-NE1 3.33Å; P352-W425 HydrophobicContact CB-CB 4.28Å; P352-W425 HydrophobicContact CB-CD2 4.17Å; P352-W425 HydrophobicContact CB-CE3 4.23Å; P352-W425 HydrophobicContact CB-CG 4.22Å; P352-W425 HydrophobicContact CG-CB 4.29Å; P352-W425 HydrophobicContact CG-CD2 4.3Å; P352-W425 HydrophobicContact CG-CE3 3.92Å; P352-W425 HydrophobicContact CG-CG 4.49Å; H353-W425 AromaticContact CE1-CE2 3.93Å; H353-W425 AromaticContact CE1-NE1 3.68Å; H353-W425 AromaticContact NE2-NE1 3.93Å; V396-W425 CarbonylContact O-C 3.47Å; V396-W425 VanDerWaalsContact O-CA 3.26Å; V396-W425 WeakPolarHBondContact O-CA 3Å; V396-W425 WeakPolarHBondContact O-CB 3.2Å; Q397-W425 HydrophobicContact CB-CB 3.77Å; Q397-W425 HydrophobicContact CG-CB 4.14Å; W425-T427 HydrophobicContact CZ3-CG2 4.17Å
426F97.4Very high95Very high6 Ų638 Ų383%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-128.9142.7-167.1-53-94000109F66 S67 I68 L201 M202 K395 V396 I398 A424F66-F426 AromaticContact CE1-CD1 3.5Å; F66-F426 HydrophobicContact CE1-CD1 3.5Å; F66-F426 HydrophobicContact CE1-CE1 4.06Å; F66-F426 HydrophobicContact CE1-CG 4.46Å; F66-F426 HydrophobicContact CE2-CB 3.86Å; F66-F426 HydrophobicContact CE2-CD1 4.13Å; F66-F426 HydrophobicContact CE2-CG 4.33Å; F66-F426 HydrophobicContact CZ-CB 3.79Å; F66-F426 AromaticContact CZ-CD1 3.2Å; F66-F426 HydrophobicContact CZ-CD1 3.2Å; F66-F426 AromaticContact CZ-CE1 4Å; F66-F426 HydrophobicContact CZ-CE1 4Å; F66-F426 AromaticContact CZ-CG 3.76Å; F66-F426 HydrophobicContact CZ-CG 3.76Å; S67-F426 CarbonylContact O-C 3.34Å; S67-F426 VanDerWaalsContact O-CA 3.31Å; S67-F426 WeakPolarHBondContact O-CA 3.44Å; I68-F426 HydrophobicContact CB-CD1 4.22Å; I68-F426 HydrophobicContact CB-CE1 4.35Å; I68-F426 HydrophobicContact CD1-CD1 4.22Å; I68-F426 HydrophobicContact CD1-CE1 4.06Å; I68-F426 HydrophobicContact CG1-CD1 3.8Å; I68-F426 HydrophobicContact CG1-CE1 4.06Å; I68-F426 HydrophobicContact CG2-CD1 3.84Å; I68-F426 HydrophobicContact CG2-CE1 3.57Å; I68-F426 HydrophobicContact CG2-CZ 4.34Å; L201-F426 HydrophobicContact CD1-CZ 4.45Å; M202-F426 HydrophobicContact CG-CE1 4.34Å; M202-F426 HydrophobicContact SD-CE1 4.47Å; K395-F426 VanDerWaalsContact CA-O 3.31Å; K395-F426 WeakPolarHBondContact CA-O 3.19Å; V396-F426 HydrophobicContact CG1-CB 3.95Å; V396-F426 HydrophobicContact CG1-CD2 4.03Å; V396-F426 HydrophobicContact CG1-CG 4.36Å; V396-F426 PolarHBondContact N-O 2.91Å; V396-F426 VanDerWaalsContact N-O 3.12Å; V396-F426 PolarHBondContact O-N 2.72Å; I398-F426 HydrophobicContact CB-CE2 4.05Å; I398-F426 HydrophobicContact CG1-CD2 4.04Å; I398-F426 HydrophobicContact CG1-CE2 3.46Å; I398-F426 VanDerWaalsContact CG1-CE2 3.46Å; I398-F426 HydrophobicContact CG1-CZ 4.42Å; A424-F426 HydrophobicContact CB-CE1 4.45Å; A424-F426 HydrophobicContact CB-CE2 3.81Å; A424-F426 HydrophobicContact CB-CZ 3.71Å
427T97.2Very high95Very high12 Ų1234.8 Ų34.87%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-125.7115.2165.1-179.70000109.5F66 S67 Y69 K394 W425 F429F66-T427 WeakPolarHBondContact CA-O 3.4Å; S67-T427 PolarHBondContact N-O 2.82Å; S67-T427 PolarHBondContact O-N 2.88Å; Y69-T427 HydrophobicContact CE2-CG2 4.1Å; K394-T427 CarbonylContact O-C 3.39Å; K394-T427 WeakPolarHBondContact O-CA 3.41Å; W425-T427 HydrophobicContact CZ3-CG2 4.17Å; T427-F429 HydrophobicContact CG2-CD1 4.39Å
428E95.8Very high95.3Very high34 Ų3435.9 Ų35.916%0.15919%0.185CC..EExtended strand (participates in β ladder)trans-91.3120.1163.6176.9-166.8131.700107.3V64 Y65 F66 R99 K394V64-E428 HydrophobicContact CG1-CG 3.6Å; Y65-E428 CarbonylContact O-C 3.56Å; Y65-E428 WeakPolarHBondContact O-CA 3.41Å; F66-E428 HydrophobicContact CD2-CB 4.05Å; R99-E428 IonicContact CZ-OE1 3.33Å; R99-E428 VanDerWaalsContact CZ-OE1 3.31Å; R99-E428 IonicContact CZ-OE2 2.71Å; R99-E428 IonicContact NH1-OE1 3.05Å; R99-E428 PolarHBondContact NH1-OE1 3.07Å; R99-E428 IonicContact NH2-OE1 3.46Å; R99-E428 PolarHBondContact NH2-OE1 3.48Å; R99-E428 IonicContact NH2-OE2 3.29Å; R99-E428 PolarHBondContact NH2-OE2 3.29Å; K394-E428 HydrophobicContact CB-CB 4.26Å; K394-E428 WeakPolarHBondContact CD-OE1 3.48Å; K394-E428 WeakPolarHBondContact CE-OE1 3.48Å; K394-E428 PolarHBondContact N-O 3.23Å; K394-E428 IonicContact NZ-OE1 2.79Å; K394-E428 PolarHBondContact NZ-OE1 3.01Å; K394-E428 PolarHBondContact O-N 3.06Å
429F95.1Very high95.1Very high58 Ų5836.5 Ų36.525%0.25418%0.18SC..EExtended strand (participates in β ladder)trans-133.7147.5177.270.7-88.1000113.4Y65 A392 F393 T427Y65-F429 VanDerWaalsContact CB-CE1 3.47Å; Y65-F429 AromaticContact CD2-CE2 3.86Å; Y65-F429 HydrophobicContact CD2-CE2 3.86Å; Y65-F429 HydrophobicContact CD2-CZ 4.07Å; Y65-F429 HydrophobicContact CG-CE1 4.47Å; Y65-F429 HydrophobicContact CG-CE2 4.15Å; Y65-F429 AromaticContact CG-CZ 3.88Å; Y65-F429 HydrophobicContact CG-CZ 3.88Å; Y65-F429 PolarHBondContact N-O 2.88Å; Y65-F429 PolarHBondContact O-N 2.96Å; A392-F429 WeakPolarHBondContact O-CA 3.46Å; A392-F429 WeakPolarHBondContact O-CB 3.32Å; F393-F429 HydrophobicContact CD1-CB 3.81Å; F393-F429 HydrophobicContact CE1-CB 4.24Å; T427-F429 HydrophobicContact CG2-CD1 4.39Å
430A94.5Very high94.8Very high22 Ų2236.6 Ų36.618%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-142.8133.9172.500000107.9V62 V64 E391 A392V62-A430 HydrophobicContact CG1-CB 4.19Å; V64-A430 HydrophobicContact CG2-CB 4.16Å; E391-A430 CarbonylContact C-O 3.53Å; E391-A430 VanDerWaalsContact CA-O 3.23Å; E391-A430 WeakPolarHBondContact CA-O 3.5Å; A392-A430 PolarHBondContact N-O 2.8Å; A392-A430 PolarHBondContact O-N 2.77Å
431V95.9Very high94.5Very high34 Ų3436.3 Ų36.321%0.20618%0.182CC..EExtended strand (participates in β ladder)trans-132.1120-179.5-179.90000108.1V62 T288 E391 F393 D433V62-V431 WeakPolarHBondContact CG1-O 3.43Å; T288-V431 HydrophobicContact CG2-CG1 4.46Å; E391-V431 HydrophobicContact CG-CG1 4.02Å; F393-V431 HydrophobicContact CE1-CG2 4.14Å; F393-V431 HydrophobicContact CZ-CG2 3.83Å; V431-D433 PolarHBondContact O-N 3.21Å
432A94.1Very high94.3Very high3 Ų339.9 Ų39.93%0.02520%0.201CC..  trans-58.4130.8179.200000111.2V62 H289 L390 A436 L437V62-A432 HydrophobicContact CG2-CB 4.49Å; H289-A432 PolarHBondContact ND1-O 2.02Å; L390-A432 HydrophobicContact CB-CB 4.11Å; L390-A432 VanDerWaalsContact O-CB 3.28Å; L390-A432 WeakPolarHBondContact O-CB 3.39Å; L390-A432 PolarHBondContact O-N 3.47Å; A432-A436 HydrophobicContact CB-CB 4.39Å; A432-L437 HydrophobicContact CB-CD2 3.84Å; A432-L437 HydrophobicContact CB-CG 4.01Å
433D93.1Very high93.8Very high72 Ų7248.2 Ų48.239%0.38523%0.234SC..  trans-78.5169.8177.675.9-8.8000111.4V431 K435 A436 L437V431-D433 PolarHBondContact O-N 3.21Å; D433-K435 PolarHBondContact O-N 3.27Å; D433-K435 VanDerWaalsContact O-N 3.16Å; D433-K435 PolarHBondContact OD1-N 3Å; D433-A436 PolarHBondContact O-N 3.5Å; D433-A436 VanDerWaalsContact OD1-CB 3.26Å; D433-A436 WeakPolarHBondContact OD1-CB 2.85Å; D433-A436 PolarHBondContact OD1-N 3.2Å; D433-L437 VanDerWaalsContact O-CG 3.29Å; D433-L437 WeakPolarHBondContact O-CG 3.05Å; D433-L437 PolarHBondContact O-N 3.37Å
434K93.5Very high93.3Very high153 Ų15349.2 Ų49.267%0.66524%0.239SC*.Hα-helixtrans-57.2-32.4178.5-68.6-176.7178.6178.30112.5H289 S438H289-K434 HydrophobicContact CB-CG 3.94Å; K434-S438 WeakPolarHBondContact O-CB 3.29Å; K434-S438 PolarHBondContact O-N 3.28Å; K434-S438 PolarHBondContact O-OG 3.44Å
435K91.8Very high93Very high163 Ų16350.6 Ų50.671%0.70925%0.246SC*.Hα-helixtrans-67.7-51.5-179.1-175-178.5176-175.80110.6D433 S438 K439D433-K435 PolarHBondContact O-N 3.27Å; D433-K435 VanDerWaalsContact O-N 3.16Å; D433-K435 PolarHBondContact OD1-N 3Å; K435-S438 PolarHBondContact O-N 3.36Å; K435-S438 PolarHBondContact O-OG 3.1Å; K435-K439 PolarHBondContact O-N 3.28Å; K435-K439 VanDerWaalsContact O-N 3.09Å
436A91Very high92.7Very high18 Ų1854.4 Ų54.415%0.14926%0.263CS..Hα-helixtrans-59.8-46176.500000111.4V62 A432 D433 K439 I440V62-A436 HydrophobicContact CG2-CB 4.43Å; A432-A436 HydrophobicContact CB-CB 4.39Å; D433-A436 PolarHBondContact O-N 3.5Å; D433-A436 VanDerWaalsContact OD1-CB 3.26Å; D433-A436 WeakPolarHBondContact OD1-CB 2.85Å; D433-A436 PolarHBondContact OD1-N 3.2Å; A436-K439 WeakPolarHBondContact O-CB 3.12Å; A436-K439 PolarHBondContact O-N 3.41Å; A436-I440 PolarHBondContact O-N 2.86Å; A436-I440 VanDerWaalsContact O-N 3.13Å
437L93.5Very high92.4Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-62-45.4177.6-66.2176.3000112.1A287 H289 D290 V293 L390 A432 D433 K439 I440 S441A287-L437 HydrophobicContact CB-CD1 3.88Å; A287-L437 HydrophobicContact CB-CD2 3.93Å; H289-L437 HydrophobicContact CB-CD1 3.72Å; D290-L437 HydrophobicContact CB-CB 4.22Å; D290-L437 HydrophobicContact CB-CD1 3.75Å; V293-L437 HydrophobicContact CG1-CD2 4.32Å; V293-L437 HydrophobicContact CG2-CD2 4.45Å; L390-L437 HydrophobicContact CD1-CD2 3.6Å; A432-L437 HydrophobicContact CB-CD2 3.84Å; A432-L437 HydrophobicContact CB-CG 4.01Å; D433-L437 VanDerWaalsContact O-CG 3.29Å; D433-L437 WeakPolarHBondContact O-CG 3.05Å; D433-L437 PolarHBondContact O-N 3.37Å; L437-K439 VanDerWaalsContact C-N 3.26Å; L437-K439 PolarHBondContact O-N 3.24Å; L437-I440 PolarHBondContact O-N 2.99Å; L437-S441 WeakPolarHBondContact O-CB 3.47Å; L437-S441 PolarHBondContact O-N 3.12Å
438S92.7Very high92.1Very high51 Ų5158.6 Ų58.636%0.35728%0.284SS..Hα-helixtrans-61.3-35.8178.3740000112.3K434 K435 N442K434-S438 WeakPolarHBondContact O-CB 3.29Å; K434-S438 PolarHBondContact O-N 3.28Å; K434-S438 PolarHBondContact O-OG 3.44Å; K435-S438 PolarHBondContact O-N 3.36Å; K435-S438 PolarHBondContact O-OG 3.1Å; S438-N442 WeakPolarHBondContact O-CB 3.04Å; S438-N442 PolarHBondContact O-N 2.78Å; S438-N442 PolarHBondContact O-ND2 2.73Å; S438-N442 VanDerWaalsContact O-ND2 3.13Å
439K89.4Confident91.9Very high85 Ų8564.4 Ų64.437%0.3731%0.309SS..Hα-helixtrans-64.5-55176.7-164.2176.9-166.2-179.80110.3E52 K435 A436 L437 S441 N442 Y443E52-K439 VanDerWaalsContact CD-CE 3.49Å; E52-K439 WeakPolarHBondContact OE1-CE 3.45Å; E52-K439 IonicContact OE1-NZ 2.58Å; E52-K439 PolarHBondContact OE1-NZ 2.9Å; E52-K439 WeakPolarHBondContact OE2-CE 3.38Å; E52-K439 IonicContact OE2-NZ 3.07Å; E52-K439 PolarHBondContact OE2-NZ 2.82Å; K435-K439 PolarHBondContact O-N 3.28Å; K435-K439 VanDerWaalsContact O-N 3.09Å; A436-K439 WeakPolarHBondContact O-CB 3.12Å; A436-K439 PolarHBondContact O-N 3.41Å; L437-K439 VanDerWaalsContact C-N 3.26Å; L437-K439 PolarHBondContact O-N 3.24Å; K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 3.11Å; K439-N442 PolarHBondContact O-N 2.87Å; K439-Y443 HydrophobicContact CB-CD2 4.48Å; K439-Y443 HydrophobicContact CG-CD2 3.64Å; K439-Y443 HydrophobicContact CG-CE2 3.9Å; K439-Y443 WeakPolarHBondContact O-CB 3.36Å; K439-Y443 WeakPolarHBondContact O-CD2 3.18Å; K439-Y443 PolarHBondContact O-N 3.32Å
440I89.1Confident91.9Very high20 Ų2065.9 Ų65.910%0.10332%0.319CS..Hα-helixtrans-60.6-44.4179.7-65.2163000110.8F388 L390 A436 L437 I444 L445F388-I440 HydrophobicContact CD2-CD1 3.73Å; F388-I440 HydrophobicContact CD2-CG1 4.03Å; F388-I440 HydrophobicContact CE2-CD1 4.35Å; F388-I440 HydrophobicContact CE2-CG1 4.2Å; L390-I440 HydrophobicContact CD1-CD1 4.43Å; L390-I440 HydrophobicContact CD2-CD1 3.55Å; A436-I440 PolarHBondContact O-N 2.86Å; A436-I440 VanDerWaalsContact O-N 3.13Å; L437-I440 PolarHBondContact O-N 2.99Å; I440-I444 WeakPolarHBondContact O-CA 3.17Å; I440-I444 WeakPolarHBondContact O-CB 3.08Å; I440-I444 PolarHBondContact O-N 3.03Å; I440-L445 HydrophobicContact CG2-CD1 4.14Å; I440-L445 HydrophobicContact CG2-CG 4.09Å; I440-L445 PolarHBondContact O-N 3.13Å; I440-L445 VanDerWaalsContact O-N 3.16Å
441S91.5Very high91.8Very high12 Ų1268.1 Ų68.18%0.08433%0.327CS..Iπ-helixtrans-58.1-51.1177.9-175.90000111.8L437 K439 L445 K446L437-S441 WeakPolarHBondContact O-CB 3.47Å; L437-S441 PolarHBondContact O-N 3.12Å; K439-S441 VanDerWaalsContact C-N 3.31Å; K439-S441 PolarHBondContact O-N 3.11Å; S441-L445 PolarHBondContact O-N 3.02Å; S441-K446 WeakPolarHBondContact O-CB 3.44Å; S441-K446 WeakPolarHBondContact O-CG 3.2Å; S441-K446 PolarHBondContact O-N 3.4Å
442N91.8Very high91.8Very high77 Ų7768.1 Ų68.141%0.41233%0.328SS..Iπ-helixtrans-74.6-38.1-175.6-68.9-26.9000113.8S438 K439 K446 P447S438-N442 WeakPolarHBondContact O-CB 3.04Å; S438-N442 PolarHBondContact O-N 2.78Å; S438-N442 PolarHBondContact O-ND2 2.73Å; S438-N442 VanDerWaalsContact O-ND2 3.13Å; K439-N442 PolarHBondContact O-N 2.87Å; N442-K446 WeakPolarHBondContact OD1-CD 3.45Å; N442-K446 WeakPolarHBondContact OD1-CE 3.42Å; N442-K446 PolarHBondContact OD1-NZ 2.03Å; N442-P447 VanDerWaalsContact O-CD 3.24Å; N442-P447 WeakPolarHBondContact O-CD 3.4Å; N442-P447 WeakPolarHBondContact O-CG 3.32Å
443Y86.8Confident91.8Very high174 Ų17472.5 Ų72.568%0.68235%0.35SS*.Iπ-helixtrans-89.7-21.6-174.4-70.9-75.3000113.8K439K439-Y443 HydrophobicContact CB-CD2 4.48Å; K439-Y443 HydrophobicContact CG-CD2 3.64Å; K439-Y443 HydrophobicContact CG-CE2 3.9Å; K439-Y443 WeakPolarHBondContact O-CB 3.36Å; K439-Y443 WeakPolarHBondContact O-CD2 3.18Å; K439-Y443 PolarHBondContact O-N 3.32Å
444I89Confident91.9Very high22 Ų2272.6 Ų72.611%0.11335%0.353CS..Iπ-helixtrans-125.4-59.9-173.3-53.9177.6000111.2F37 I41 T386 F388 I440 K448F37-I444 HydrophobicContact CZ-CG2 4.27Å; I41-I444 HydrophobicContact CD1-CG1 4.37Å; I41-I444 HydrophobicContact CD1-CG2 4.02Å; T386-I444 HydrophobicContact CG2-CD1 3.62Å; T386-I444 HydrophobicContact CG2-CG2 3.88Å; F388-I444 HydrophobicContact CE2-CD1 4.28Å; I440-I444 WeakPolarHBondContact O-CA 3.17Å; I440-I444 WeakPolarHBondContact O-CB 3.08Å; I440-I444 PolarHBondContact O-N 3.03Å; I444-K448 WeakPolarHBondContact O-CB 3.19Å; I444-K448 PolarHBondContact O-N 2.79Å; I444-K448 VanDerWaalsContact O-N 3.17Å
445L91Very high92Very high29 Ų2967.2 Ų67.215%0.15233%0.331CS..Iπ-helixtrans-72.2-45.7-167.5-52.3-178.9000113V293 E383 I440 S441 K448 K449V293-L445 HydrophobicContact CG1-CD1 4.11Å; V293-L445 HydrophobicContact CG2-CD1 4.16Å; E383-L445 HydrophobicContact CG-CD1 4.38Å; E383-L445 HydrophobicContact CG-CD2 4.05Å; E383-L445 WeakPolarHBondContact OE1-CD2 3.26Å; I440-L445 HydrophobicContact CG2-CD1 4.14Å; I440-L445 HydrophobicContact CG2-CG 4.09Å; I440-L445 PolarHBondContact O-N 3.13Å; I440-L445 VanDerWaalsContact O-N 3.16Å; S441-L445 PolarHBondContact O-N 3.02Å; L445-K448 WeakPolarHBondContact O-CB 3.5Å; L445-K448 PolarHBondContact O-N 3.33Å; L445-K449 PolarHBondContact O-N 2.9Å
446K92.4Very high92.2Very high98 Ų9862 Ų6243%0.42632%0.315SS..Hα-helixtrans-63.7-49.2177.9-73.8179.3-173.1172.20112S441 N442 K448 K449 I450S441-K446 WeakPolarHBondContact O-CB 3.44Å; S441-K446 WeakPolarHBondContact O-CG 3.2Å; S441-K446 PolarHBondContact O-N 3.4Å; N442-K446 WeakPolarHBondContact OD1-CD 3.45Å; N442-K446 WeakPolarHBondContact OD1-CE 3.42Å; N442-K446 PolarHBondContact OD1-NZ 2.03Å; K446-K448 VanDerWaalsContact C-N 3.29Å; K446-K448 PolarHBondContact O-N 3.27Å; K446-K449 PolarHBondContact O-N 3.23Å; K446-K449 VanDerWaalsContact O-N 3.09Å; K446-I450 HydrophobicContact CB-CD1 4.13Å; K446-I450 WeakPolarHBondContact O-CB 3.3Å; K446-I450 VanDerWaalsContact O-CG1 3.29Å; K446-I450 WeakPolarHBondContact O-CG1 3.11Å; K446-I450 PolarHBondContact O-N 3.35Å
447P91.7Very high92.4Very high38 Ų3864.5 Ų64.525%0.24733%0.329CS..Hα-helixtrans-56-41.6174.4-28.536.1000113.1N442 K449 I450 I451N442-P447 VanDerWaalsContact O-CD 3.24Å; N442-P447 WeakPolarHBondContact O-CD 3.4Å; N442-P447 WeakPolarHBondContact O-CG 3.32Å; P447-K449 VanDerWaalsContact C-N 3.26Å; P447-K449 PolarHBondContact O-N 3.35Å; P447-I450 PolarHBondContact O-N 2.97Å; P447-I451 HydrophobicContact CB-CD1 3.98Å; P447-I451 WeakPolarHBondContact O-CB 3.26Å; P447-I451 VanDerWaalsContact O-CG1 3.25Å; P447-I451 WeakPolarHBondContact O-CG1 3.41Å; P447-I451 PolarHBondContact O-N 3.36Å
448K91.2Very high92.6Very high67 Ų6767.3 Ų67.329%0.29135%0.346SS..Hα-helixtrans-57.3-39.1176.4-170.7177.2175.3170.60112.5F37 N385 I444 L445 K446 P452F37-K448 HydrophobicContact CD1-CD 4.23Å; F37-K448 HydrophobicContact CD1-CG 4.15Å; F37-K448 HydrophobicContact CE1-CB 3.83Å; F37-K448 HydrophobicContact CE1-CD 3.74Å; F37-K448 HydrophobicContact CE1-CG 3.78Å; F37-K448 HydrophobicContact CE2-CB 4.1Å; F37-K448 HydrophobicContact CZ-CB 3.58Å; F37-K448 HydrophobicContact CZ-CD 4.37Å; F37-K448 HydrophobicContact CZ-CG 4.06Å; N385-K448 PolarHBondContact OD1-NZ 2.83Å; I444-K448 WeakPolarHBondContact O-CB 3.19Å; I444-K448 PolarHBondContact O-N 2.79Å; I444-K448 VanDerWaalsContact O-N 3.17Å; L445-K448 WeakPolarHBondContact O-CB 3.5Å; L445-K448 PolarHBondContact O-N 3.33Å; K446-K448 VanDerWaalsContact C-N 3.29Å; K446-K448 PolarHBondContact O-N 3.27Å; K448-P452 WeakPolarHBondContact O-CD 3.5Å; K448-P452 WeakPolarHBondContact O-CG 3.44Å
449K91.4Very high92.7Very high157 Ų15765.1 Ų65.168%0.68333%0.331SS*.Hα-helixtrans-81.1-41.8179.5-170.9175.3-179176.60112.8L445 K446 P447 I453L445-K449 PolarHBondContact O-N 2.9Å; K446-K449 PolarHBondContact O-N 3.23Å; K446-K449 VanDerWaalsContact O-N 3.09Å; P447-K449 VanDerWaalsContact C-N 3.26Å; P447-K449 PolarHBondContact O-N 3.35Å; K449-I453 HydrophobicContact CG-CD1 4.38Å; K449-I453 VanDerWaalsContact O-CD1 3.28Å; K449-I453 WeakPolarHBondContact O-CD1 3.15Å; K449-I453 WeakPolarHBondContact O-CG1 3.38Å
450I93.7Very high93Very high89 Ų8963.9 Ų63.946%0.45633%0.333SS..Hα-helixtrans-78.8-42.4-171.4-67170.4000111.8K446 P447 I453 V454K446-I450 HydrophobicContact CB-CD1 4.13Å; K446-I450 WeakPolarHBondContact O-CB 3.3Å; K446-I450 VanDerWaalsContact O-CG1 3.29Å; K446-I450 WeakPolarHBondContact O-CG1 3.11Å; K446-I450 PolarHBondContact O-N 3.35Å; P447-I450 PolarHBondContact O-N 2.97Å; I450-I453 WeakPolarHBondContact O-CB 3.48Å; I450-I453 PolarHBondContact O-N 3.15Å; I450-I453 VanDerWaalsContact O-N 3.07Å; I450-V454 HydrophobicContact CG2-CG2 3.78Å; I450-V454 WeakPolarHBondContact O-CG2 3.48Å; I450-V454 PolarHBondContact O-N 3.02Å
451I93.7Very high93.4Very high68 Ų6868.1 Ų68.135%0.34936%0.355SS..Hα-helixtrans-59.8-46-173.3-65.8166.7000112.1F33 P447 I453 V454 L455F33-I451 HydrophobicContact CD2-CB 4.4Å; F33-I451 HydrophobicContact CD2-CG2 3.73Å; F33-I451 HydrophobicContact CE2-CB 3.58Å; F33-I451 HydrophobicContact CE2-CD1 3.97Å; F33-I451 HydrophobicContact CE2-CG1 4.39Å; F33-I451 HydrophobicContact CE2-CG2 3.33Å; F33-I451 HydrophobicContact CZ-CB 3.85Å; F33-I451 HydrophobicContact CZ-CD1 4.34Å; F33-I451 HydrophobicContact CZ-CG2 4.1Å; P447-I451 HydrophobicContact CB-CD1 3.98Å; P447-I451 WeakPolarHBondContact O-CB 3.26Å; P447-I451 VanDerWaalsContact O-CG1 3.25Å; P447-I451 WeakPolarHBondContact O-CG1 3.41Å; P447-I451 PolarHBondContact O-N 3.36Å; I451-I453 VanDerWaalsContact C-N 3.3Å; I451-I453 PolarHBondContact O-N 3.22Å; I451-V454 PolarHBondContact O-N 3.23Å; I451-L455 HydrophobicContact CG2-CD1 3.86Å; I451-L455 HydrophobicContact CG2-CG 4.17Å; I451-L455 WeakPolarHBondContact O-CB 3.11Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 2.67Å
452P94.4Very high93.6Very high35 Ų3567.8 Ų67.823%0.22735%0.353CS..Hα-helixtrans-60.7-37.7174.8-26.236.9000113.2L30 F33 K448 L455 S456L30-P452 HydrophobicContact CD2-CB 4.15Å; L30-P452 WeakPolarHBondContact CD2-O 3.48Å; F33-P452 HydrophobicContact CD1-CG 3.48Å; F33-P452 VanDerWaalsContact CD1-CG 3.48Å; F33-P452 HydrophobicContact CE1-CG 3.34Å; F33-P452 HydrophobicContact CG-CG 4.17Å; F33-P452 HydrophobicContact CZ-CG 3.96Å; K448-P452 WeakPolarHBondContact O-CD 3.5Å; K448-P452 WeakPolarHBondContact O-CG 3.44Å; P452-L455 PolarHBondContact O-N 3.08Å; P452-S456 VanDerWaalsContact O-CB 3.25Å; P452-S456 WeakPolarHBondContact O-CB 3.48Å; P452-S456 PolarHBondContact O-N 3.33Å
453I94.8Very high93.8Very high95 Ų9567.9 Ų67.949%0.48735%0.353SS..Hα-helixtrans-65.1-43.6177.1-62.6170.3000110.1K449 I450 I451 S456 T457K449-I453 HydrophobicContact CG-CD1 4.38Å; K449-I453 VanDerWaalsContact O-CD1 3.28Å; K449-I453 WeakPolarHBondContact O-CD1 3.15Å; K449-I453 WeakPolarHBondContact O-CG1 3.38Å; I450-I453 WeakPolarHBondContact O-CB 3.48Å; I450-I453 PolarHBondContact O-N 3.15Å; I450-I453 VanDerWaalsContact O-N 3.07Å; I451-I453 VanDerWaalsContact C-N 3.3Å; I451-I453 PolarHBondContact O-N 3.22Å; I453-S456 PolarHBondContact O-N 3.25Å; I453-T457 HydrophobicContact CG2-CG2 4.34Å; I453-T457 WeakPolarHBondContact O-CB 3.37Å; I453-T457 VanDerWaalsContact O-CG2 3.27Å; I453-T457 WeakPolarHBondContact O-CG2 3.28Å; I453-T457 PolarHBondContact O-N 2.98Å; I453-T457 PolarHBondContact O-OG1 3.18Å
454V95.4Very high94.3Very high73 Ų7364.2 Ų64.244%0.44234%0.344SS..Hα-helixtrans-64.5-45.8176.6174.60000110.9I450 I451 S456 T457 V458I450-V454 HydrophobicContact CG2-CG2 3.78Å; I450-V454 WeakPolarHBondContact O-CG2 3.48Å; I450-V454 PolarHBondContact O-N 3.02Å; I451-V454 PolarHBondContact O-N 3.23Å; V454-S456 VanDerWaalsContact C-N 3.33Å; V454-S456 PolarHBondContact O-N 3.26Å; V454-T457 WeakPolarHBondContact CA-OG1 3.47Å; V454-T457 PolarHBondContact O-N 3.11Å; V454-T457 PolarHBondContact O-OG1 3.31Å; V454-V458 HydrophobicContact CG1-CG2 4.15Å; V454-V458 WeakPolarHBondContact O-CB 3.03Å; V454-V458 VanDerWaalsContact O-CG2 3.25Å; V454-V458 WeakPolarHBondContact O-CG2 3.03Å; V454-V458 PolarHBondContact O-N 2.91Å
455L95.3Very high94.6Very high41 Ų4165.6 Ų65.622%0.21536%0.356CS..Hα-helixtrans-61.3-41.7177-72.2173.9000111.9C26 L30 I451 P452 G459C26-L455 WeakPolarHBondContact CB-O 3.33Å; L30-L455 HydrophobicContact CD2-CB 3.71Å; L30-L455 HydrophobicContact CD2-CD1 4.45Å; L30-L455 HydrophobicContact CG-CB 3.99Å; I451-L455 HydrophobicContact CG2-CD1 3.86Å; I451-L455 HydrophobicContact CG2-CG 4.17Å; I451-L455 WeakPolarHBondContact O-CB 3.11Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 2.67Å; P452-L455 PolarHBondContact O-N 3.08Å; L455-G459 PolarHBondContact O-N 3.44Å
456S95.7Very high94.8Very high54 Ų5464.2 Ų64.238%0.37835%0.349SS..Hα-helixtrans-65.7-49.4177178.20000111.8P452 I453 V454 G459 S460P452-S456 VanDerWaalsContact O-CB 3.25Å; P452-S456 WeakPolarHBondContact O-CB 3.48Å; P452-S456 PolarHBondContact O-N 3.33Å; I453-S456 PolarHBondContact O-N 3.25Å; V454-S456 VanDerWaalsContact C-N 3.33Å; V454-S456 PolarHBondContact O-N 3.26Å; S456-G459 PolarHBondContact O-N 3.05Å; S456-S460 WeakPolarHBondContact O-CB 2.91Å; S456-S460 PolarHBondContact O-N 2.84Å; S456-S460 PolarHBondContact O-OG 3.29Å
457T96.1Very high94.9Very high70 Ų7063.6 Ų63.643%0.42935%0.353SS..Hα-helixtrans-63.4-47.1-179.750.40000112.3I453 V454 S460 L461I453-T457 HydrophobicContact CG2-CG2 4.34Å; I453-T457 WeakPolarHBondContact O-CB 3.37Å; I453-T457 VanDerWaalsContact O-CG2 3.27Å; I453-T457 WeakPolarHBondContact O-CG2 3.28Å; I453-T457 PolarHBondContact O-N 2.98Å; I453-T457 PolarHBondContact O-OG1 3.18Å; V454-T457 WeakPolarHBondContact CA-OG1 3.47Å; V454-T457 PolarHBondContact O-N 3.11Å; V454-T457 PolarHBondContact O-OG1 3.31Å; T457-S460 PolarHBondContact O-N 3.45Å; T457-L461 WeakPolarHBondContact O-CB 3.48Å; T457-L461 VanDerWaalsContact O-CG 3.27Å; T457-L461 WeakPolarHBondContact O-CG 3.42Å; T457-L461 PolarHBondContact O-N 3.15Å
458V96.6Very high95.1Very high59 Ų5966.5 Ų66.536%0.35837%0.365SS..Hα-helixtrans-64-44.3177.3174.10000111L22 V454 L461 A462L22-V458 HydrophobicContact CD2-CG1 4.39Å; V454-V458 HydrophobicContact CG1-CG2 4.15Å; V454-V458 WeakPolarHBondContact O-CB 3.03Å; V454-V458 VanDerWaalsContact O-CG2 3.25Å; V454-V458 WeakPolarHBondContact O-CG2 3.03Å; V454-V458 PolarHBondContact O-N 2.91Å; V458-L461 PolarHBondContact O-N 2.88Å; V458-A462 WeakPolarHBondContact O-CB 3.23Å; V458-A462 PolarHBondContact O-N 2.93Å
459G96.3Very high95.1Very high5 Ų565.4 Ų65.45%0.05236%0.363CS..Hα-helixtrans-61.4-45.9177.800000112.5S23 L455 S456 A462 L463S23-G459 PolarHBondContact OG-O 3.45Å; L455-G459 PolarHBondContact O-N 3.44Å; S456-G459 PolarHBondContact O-N 3.05Å; G459-A462 PolarHBondContact O-N 2.99Å; G459-L463 WeakPolarHBondContact O-CB 3.3Å; G459-L463 PolarHBondContact O-N 2.85Å
460S96Very high95.2Very high58 Ų5861 Ų6141%0.40635%0.346SS..Hα-helixtrans-63.7-43.5176.7-64.90000112.4S456 T457 A462 L463 I464S456-S460 WeakPolarHBondContact O-CB 2.91Å; S456-S460 PolarHBondContact O-N 2.84Å; S456-S460 PolarHBondContact O-OG 3.29Å; T457-S460 PolarHBondContact O-N 3.45Å; S460-A462 PolarHBondContact O-N 2.91Å; S460-L463 PolarHBondContact O-N 2.7Å; S460-I464 WeakPolarHBondContact O-CB 3.16Å; S460-I464 WeakPolarHBondContact O-CD1 3.46Å; S460-I464 WeakPolarHBondContact O-CG1 3.03Å; S460-I464 PolarHBondContact O-N 3.37Å
461L96.8Very high95.1Very high110 Ų11059.3 Ų59.358%0.57635%0.345SS*.Hα-helixtrans-64.3-39.8177.1-73.2172.9000112.1T457 V458 S465T457-L461 WeakPolarHBondContact O-CB 3.48Å; T457-L461 VanDerWaalsContact O-CG 3.27Å; T457-L461 WeakPolarHBondContact O-CG 3.42Å; T457-L461 PolarHBondContact O-N 3.15Å; V458-L461 PolarHBondContact O-N 2.88Å; L461-S465 VanDerWaalsContact O-CB 3.29Å; L461-S465 WeakPolarHBondContact O-CB 3.49Å; L461-S465 PolarHBondContact O-N 3.43Å; L461-S465 PolarHBondContact O-OG 2.86Å
462A96.2Very high94.9Very high4 Ų458.8 Ų58.83%0.03335%0.345CS..Hα-helixtrans-63.4-43.9175.500000111.4L19 L22 V458 G459 S460 S465 A466L19-A462 HydrophobicContact CD2-CB 4.23Å; L22-A462 HydrophobicContact CB-CB 4.36Å; L22-A462 HydrophobicContact CD2-CB 3.96Å; L22-A462 HydrophobicContact CG-CB 4.14Å; V458-A462 WeakPolarHBondContact O-CB 3.23Å; V458-A462 PolarHBondContact O-N 2.93Å; G459-A462 PolarHBondContact O-N 2.99Å; S460-A462 PolarHBondContact O-N 2.91Å; A462-S465 PolarHBondContact O-N 3.45Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 2.87Å
463L96.2Very high94.6Very high80 Ų8059 Ų5942%0.41934%0.344SS..Hα-helixtrans-63.9-47.7177.1-174.761.5000112.1L20 G459 S460 S465 A466 V467L20-L463 HydrophobicContact CD2-CD1 4.27Å; G459-L463 WeakPolarHBondContact O-CB 3.3Å; G459-L463 PolarHBondContact O-N 2.85Å; S460-L463 PolarHBondContact O-N 2.7Å; L463-S465 VanDerWaalsContact C-N 3.31Å; L463-S465 PolarHBondContact O-N 3.38Å; L463-A466 PolarHBondContact O-N 2.93Å; L463-V467 VanDerWaalsContact O-CG2 3.3Å; L463-V467 WeakPolarHBondContact O-CG2 3.1Å; L463-V467 PolarHBondContact O-N 3.22Å
464I96.5Very high94.4Very high96 Ų9659.4 Ų59.449%0.49235%0.347SS..Hα-helixtrans-59.5-45.2177.5-68.9165.1000110.1S460 A466 V467 I468S460-I464 WeakPolarHBondContact O-CB 3.16Å; S460-I464 WeakPolarHBondContact O-CD1 3.46Å; S460-I464 WeakPolarHBondContact O-CG1 3.03Å; S460-I464 PolarHBondContact O-N 3.37Å; I464-A466 PolarHBondContact O-N 3.26Å; I464-V467 PolarHBondContact O-N 2.92Å; I464-I468 HydrophobicContact CG2-CD1 3.75Å; I464-I468 HydrophobicContact CG2-CG1 4.43Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.49Å; I464-I468 PolarHBondContact O-N 2.93Å
465S95.2Very high94Very high51 Ų5165 Ų6536%0.35736%0.36SS..Hα-helixtrans-62.5-41.8178-58.70000112L461 A462 L463 I468 L469L461-S465 VanDerWaalsContact O-CB 3.29Å; L461-S465 WeakPolarHBondContact O-CB 3.49Å; L461-S465 PolarHBondContact O-N 3.43Å; L461-S465 PolarHBondContact O-OG 2.86Å; A462-S465 PolarHBondContact O-N 3.45Å; L463-S465 VanDerWaalsContact C-N 3.31Å; L463-S465 PolarHBondContact O-N 3.38Å; S465-I468 PolarHBondContact O-N 2.02Å; S465-L469 WeakPolarHBondContact O-CB 3.43Å; S465-L469 WeakPolarHBondContact O-CG 3.5Å; S465-L469 PolarHBondContact O-N 3.17Å
466A94.9Very high93.4Very high0 Ų069 Ų690%037%0.372CS..Hα-helixtrans-62-45.3175.100000111.6L19 L20 A462 L463 I464 I468 L469 I470L19-A466 HydrophobicContact CB-CB 3.88Å; L20-A466 HydrophobicContact CD2-CB 3.72Å; L20-A466 HydrophobicContact CG-CB 3.97Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 2.87Å; L463-A466 PolarHBondContact O-N 2.93Å; I464-A466 PolarHBondContact O-N 3.26Å; A466-I468 PolarHBondContact O-N 3.24Å; A466-L469 PolarHBondContact O-N 3.47Å; A466-I470 WeakPolarHBondContact O-CB 3.44Å; A466-I470 WeakPolarHBondContact O-CD1 3.31Å; A466-I470 WeakPolarHBondContact O-CG1 3.46Å; A466-I470 PolarHBondContact O-N 3.04Å
467V95.2Very high92.7Very high85 Ų8573.4 Ų73.452%0.51538%0.382SS..Hα-helixtrans-61.8-43.9177.9171.60000111.3L463 I464 I470 A471L463-V467 VanDerWaalsContact O-CG2 3.3Å; L463-V467 WeakPolarHBondContact O-CG2 3.1Å; L463-V467 PolarHBondContact O-N 3.22Å; I464-V467 PolarHBondContact O-N 2.92Å; V467-I470 PolarHBondContact O-N 3.33Å; V467-A471 WeakPolarHBondContact O-CB 3.11Å; V467-A471 PolarHBondContact O-N 3.14Å
468I94.7Very high91.9Very high99 Ų9977.4 Ų77.451%0.50839%0.393SS..Hα-helixtrans-61.9-46.5176.2-67.9166.7000110.6I464 S465 A466 I470 A471 V472I464-I468 HydrophobicContact CG2-CD1 3.75Å; I464-I468 HydrophobicContact CG2-CG1 4.43Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.49Å; I464-I468 PolarHBondContact O-N 2.93Å; S465-I468 PolarHBondContact O-N 2.02Å; A466-I468 PolarHBondContact O-N 3.24Å; I468-I470 PolarHBondContact O-N 2.82Å; I468-A471 PolarHBondContact O-N 3.02Å; I468-V472 WeakPolarHBondContact O-CG2 3.36Å; I468-V472 PolarHBondContact O-N 3.38Å
469L92.8Very high90.7Very high45 Ų4578 Ų7824%0.23639%0.394CS..Hα-helixtrans-63.9-40.5178.5-74.4174.9000112.3L12 V16 L19 S465 A466 V472 L473L12-L469 HydrophobicContact CD2-CD2 4.09Å; V16-L469 HydrophobicContact CG2-CB 3.55Å; V16-L469 HydrophobicContact CG2-CD1 4.17Å; L19-L469 HydrophobicContact CD1-CD1 3.57Å; S465-L469 WeakPolarHBondContact O-CB 3.43Å; S465-L469 WeakPolarHBondContact O-CG 3.5Å; S465-L469 PolarHBondContact O-N 3.17Å; A466-L469 PolarHBondContact O-N 3.47Å; L469-V472 PolarHBondContact O-N 3.22Å; L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 VanDerWaalsContact O-CG 3.31Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 2.9Å
470I93.2Very high89.2Confident63 Ų6379.7 Ų79.732%0.32340%0.403SS..Hα-helixtrans-60.9-46.6173.2-69.1164.3000110V16 A466 V467 I468 V472 L473 L474V16-I470 HydrophobicContact CG1-CD1 3.8Å; V16-I470 HydrophobicContact CG1-CG1 3.63Å; V16-I470 HydrophobicContact CG2-CG1 4.18Å; A466-I470 WeakPolarHBondContact O-CB 3.44Å; A466-I470 WeakPolarHBondContact O-CD1 3.31Å; A466-I470 WeakPolarHBondContact O-CG1 3.46Å; A466-I470 PolarHBondContact O-N 3.04Å; V467-I470 PolarHBondContact O-N 3.33Å; I468-I470 PolarHBondContact O-N 2.82Å; I470-V472 VanDerWaalsContact C-N 3.33Å; I470-V472 PolarHBondContact O-N 3.27Å; I470-L473 PolarHBondContact O-N 3.28Å; I470-L474 HydrophobicContact CG2-CD1 3.81Å; I470-L474 HydrophobicContact CG2-CG 4.18Å; I470-L474 WeakPolarHBondContact O-CB 3.07Å; I470-L474 VanDerWaalsContact O-CG 3.27Å; I470-L474 WeakPolarHBondContact O-CG 3.38Å; I470-L474 PolarHBondContact O-N 3.09Å
471A91.9Very high87.7Confident54 Ų5483.2 Ų83.245%0.44641%0.411SS..Hα-helixtrans-60.5-40.6177.600000112.2V467 I468 L474 R475V467-A471 WeakPolarHBondContact O-CB 3.11Å; V467-A471 PolarHBondContact O-N 3.14Å; I468-A471 PolarHBondContact O-N 3.02Å; A471-L474 PolarHBondContact O-N 3Å; A471-R475 VanDerWaalsContact O-CB 3.3Å; A471-R475 WeakPolarHBondContact O-CB 3.42Å; A471-R475 PolarHBondContact O-N 2.81Å
472V89.7Confident85.9Confident58 Ų5882.5 Ų82.535%0.35241%0.412SS..Hα-helixtrans-64.5-45.1174.5171.50000111.2I468 L469 I470 R475 R476I468-V472 WeakPolarHBondContact O-CG2 3.36Å; I468-V472 PolarHBondContact O-N 3.38Å; L469-V472 PolarHBondContact O-N 3.22Å; I470-V472 VanDerWaalsContact C-N 3.33Å; I470-V472 PolarHBondContact O-N 3.27Å; V472-R475 PolarHBondContact O-N 3.25Å; V472-R476 HydrophobicContact CG1-CG 4.47Å; V472-R476 WeakPolarHBondContact O-CB 3.3Å; V472-R476 VanDerWaalsContact O-CG 3.31Å; V472-R476 WeakPolarHBondContact O-CG 3.43Å; V472-R476 PolarHBondContact O-N 2.9Å
473L88Confident84Confident39 Ų3985.8 Ų85.820%0.20443%0.428CS..Hα-helixtrans-61.7-44.2176.9-75.5173.1000111.5L12 I13 V16 L469 I470 R476 Y477L12-L473 HydrophobicContact CB-CD1 4.32Å; L12-L473 HydrophobicContact CB-CD2 3.92Å; L12-L473 HydrophobicContact CB-CG 4.47Å; L12-L473 HydrophobicContact CD1-CD2 3.84Å; I13-L473 HydrophobicContact CG1-CD1 4.38Å; V16-L473 HydrophobicContact CG2-CD1 4.13Å; L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 VanDerWaalsContact O-CG 3.31Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 2.9Å; I470-L473 PolarHBondContact O-N 3.28Å; L473-R476 PolarHBondContact O-N 3.27Å; L473-Y477 VanDerWaalsContact O-CB 3.27Å; L473-Y477 WeakPolarHBondContact O-CB 3.01Å; L473-Y477 PolarHBondContact O-N 3.44Å
474L89.2Confident82Confident103 Ų10384.7 Ų84.754%0.53943%0.427SS..Hα-helixtrans-64.7-44.3176.9-70.9174.8000112I470 A471 R476 Y477 K478I470-L474 HydrophobicContact CG2-CD1 3.81Å; I470-L474 HydrophobicContact CG2-CG 4.18Å; I470-L474 WeakPolarHBondContact O-CB 3.07Å; I470-L474 VanDerWaalsContact O-CG 3.27Å; I470-L474 WeakPolarHBondContact O-CG 3.38Å; I470-L474 PolarHBondContact O-N 3.09Å; A471-L474 PolarHBondContact O-N 3Å; L474-R476 VanDerWaalsContact C-N 3.35Å; L474-R476 PolarHBondContact O-N 3.22Å; L474-Y477 PolarHBondContact O-N 2.71Å; L474-K478 WeakPolarHBondContact O-CG 3.32Å; L474-K478 PolarHBondContact O-N 2.79Å
475R88.6Confident80Confident192 Ų19284.7 Ų84.773%0.72543%0.432SS*.Hα-helixtrans-61.8-43.4176.8-172.4176.3-179.1-177.11111.3A471 V472 K478 L479A471-R475 VanDerWaalsContact O-CB 3.3Å; A471-R475 WeakPolarHBondContact O-CB 3.42Å; A471-R475 PolarHBondContact O-N 2.81Å; V472-R475 PolarHBondContact O-N 3.25Å; R475-K478 PolarHBondContact O-N 3.35Å; R475-L479 HydrophobicContact CG-CD1 4.45Å; R475-L479 WeakPolarHBondContact O-CG 3.49Å; R475-L479 PolarHBondContact O-N 2.91Å
476R81.8Confident78Confident123 Ų12385.2 Ų85.246%0.46444%0.436SS..Hα-helixtrans-71.5-34.7177.7-68.8-170.2-176.9-163.7-0.7112.5V472 L473 L474 L479 T480V472-R476 HydrophobicContact CG1-CG 4.47Å; V472-R476 WeakPolarHBondContact O-CB 3.3Å; V472-R476 VanDerWaalsContact O-CG 3.31Å; V472-R476 WeakPolarHBondContact O-CG 3.43Å; V472-R476 PolarHBondContact O-N 2.9Å; L473-R476 PolarHBondContact O-N 3.27Å; L474-R476 VanDerWaalsContact C-N 3.35Å; L474-R476 PolarHBondContact O-N 3.22Å; R476-L479 PolarHBondContact O-N 2.7Å; R476-T480 PolarHBondContact O-N 2.84Å; R476-T480 PolarHBondContact O-OG1 2.94Å
477Y80.4Confident76Confident148 Ų14890.7 Ų90.758%0.5846%0.463SS*.Hα-helixtrans-63.5-45.5173.3-175.2-96.4000111.2L473 L474 L479 T480 K481L473-Y477 VanDerWaalsContact O-CB 3.27Å; L473-Y477 WeakPolarHBondContact O-CB 3.01Å; L473-Y477 PolarHBondContact O-N 3.44Å; L474-Y477 PolarHBondContact O-N 2.71Å; Y477-L479 PolarHBondContact O-N 3.24Å; Y477-T480 PolarHBondContact O-N 3.05Å; Y477-K481 PolarHBondContact O-N 3.35Å
478K80Confident73.9Confident154 Ų15493.7 Ų93.767%0.6747%0.472SS*.Hα-helixtrans-57.6-48.3173-76-172.2178.5-174.30111.8L474 R475 T480 K481 T482L474-K478 WeakPolarHBondContact O-CG 3.32Å; L474-K478 PolarHBondContact O-N 2.79Å; R475-K478 PolarHBondContact O-N 3.35Å; K478-T480 PolarHBondContact O-N 3.3Å; K478-K481 PolarHBondContact O-N 3.09Å; K478-K481 VanDerWaalsContact O-N 3.17Å; K478-T482 PolarHBondContact O-N 3Å; K478-T482 PolarHBondContact O-OG1 2.79Å; K478-T482 VanDerWaalsContact O-OG1 3.08Å
479L71.7Confident71.8Confident71 Ų7191.3 Ų91.337%0.37247%0.472SS..Hα-helixtrans-58.8-43.1177-73.7165.7000112.6R475 R476 Y477 K481 T482 D483R475-L479 HydrophobicContact CG-CD1 4.45Å; R475-L479 WeakPolarHBondContact O-CG 3.49Å; R475-L479 PolarHBondContact O-N 2.91Å; R476-L479 PolarHBondContact O-N 2.7Å; Y477-L479 PolarHBondContact O-N 3.24Å; L479-K481 VanDerWaalsContact C-N 3.29Å; L479-K481 PolarHBondContact O-N 3.49Å; L479-T482 PolarHBondContact O-N 3.09Å; L479-D483 PolarHBondContact O-N 2.91Å
480T65Low69.7Low41 Ų4197 Ų9725%0.25250%0.497SS..Hα-helixtrans-65.8-34.5179-31.60000111.8R9 R476 Y477 K478 S484R9-T480 PolarHBondContact NH2-OG1 3.3Å; R476-T480 PolarHBondContact O-N 2.84Å; R476-T480 PolarHBondContact O-OG1 2.94Å; Y477-T480 PolarHBondContact O-N 3.05Å; K478-T480 PolarHBondContact O-N 3.3Å; T480-S484 PolarHBondContact O-N 2.96Å; T480-S484 VanDerWaalsContact O-N 3.12Å; T480-S484 PolarHBondContact O-OG 3.08Å
481K62.9Low67.7Low132 Ų13297.9 Ų97.957%0.57451%0.514SS*.Hα-helixtrans-69.4-42.3177.4-166.4176.3-179.1-179.80111.1Y477 K478 L479 S484 V485Y477-K481 PolarHBondContact O-N 3.35Å; K478-K481 PolarHBondContact O-N 3.09Å; K478-K481 VanDerWaalsContact O-N 3.17Å; L479-K481 VanDerWaalsContact C-N 3.29Å; L479-K481 PolarHBondContact O-N 3.49Å; K481-S484 WeakPolarHBondContact CA-OG 3.37Å; K481-S484 PolarHBondContact O-N 3.19Å; K481-S484 PolarHBondContact O-OG 3.15Å; K481-V485 WeakPolarHBondContact O-CG2 3.26Å; K481-V485 PolarHBondContact O-N 3.15Å
482T59.3Low65.8Low95 Ų95103.8 Ų103.858%0.58353%0.532SS*.Hα-helixtrans-61.8-43175.7-50.90000111.7K478 L479 S484 V485 S486K478-T482 PolarHBondContact O-N 3Å; K478-T482 PolarHBondContact O-OG1 2.79Å; K478-T482 VanDerWaalsContact O-OG1 3.08Å; L479-T482 PolarHBondContact O-N 3.09Å; T482-S484 PolarHBondContact O-N 2.9Å; T482-V485 PolarHBondContact O-N 3.07Å; T482-S486 PolarHBondContact O-N 3.3Å; T482-S486 VanDerWaalsContact O-N 3.07Å
483D56.7Low63.6Low72 Ų72105.6 Ų105.639%0.38555%0.547SS..Hα-helixtrans-63.5-41.3176.1-69.7-13.4000111.8L479 V485 S486 I487L479-D483 PolarHBondContact O-N 2.91Å; D483-V485 PolarHBondContact O-N 2.84Å; D483-S486 PolarHBondContact O-N 3.45Å; D483-S486 PolarHBondContact O-OG 2.9Å; D483-I487 WeakPolarHBondContact O-CG1 3.47Å; D483-I487 PolarHBondContact O-N 3.05Å; D483-I487 VanDerWaalsContact O-N 3.12Å
484S54.4Low61.5Low57 Ų57110.3 Ų110.340%0.39958%0.578SS.*Hα-helixtrans-68.2-31.7178.154.90000114T480 K481 T482 H488T480-S484 PolarHBondContact O-N 2.96Å; T480-S484 VanDerWaalsContact O-N 3.12Å; T480-S484 PolarHBondContact O-OG 3.08Å; K481-S484 WeakPolarHBondContact CA-OG 3.37Å; K481-S484 PolarHBondContact O-N 3.19Å; K481-S484 PolarHBondContact O-OG 3.15Å; T482-S484 PolarHBondContact O-N 2.9Å; S484-H488 PolarHBondContact O-N 2.75Å
485V54.6Low59.2Low96 Ų96115.4 Ų115.458%0.58260%0.596SS**Hα-helixtrans-72.3-35.7174.9174.30000110.4K481 T482 D483 G489K481-V485 WeakPolarHBondContact O-CG2 3.26Å; K481-V485 PolarHBondContact O-N 3.15Å; T482-V485 PolarHBondContact O-N 3.07Å; D483-V485 PolarHBondContact O-N 2.84Å; V485-G489 PolarHBondContact O-N 2.82Å
486S53.9Low57.3Low63 Ų63112 Ų11244%0.44160%0.597SS.*Hα-helixtrans-67.9-34.1175.7710000113.6T482 D483 Q490T482-S486 PolarHBondContact O-N 3.3Å; T482-S486 VanDerWaalsContact O-N 3.07Å; D483-S486 PolarHBondContact O-N 3.45Å; D483-S486 PolarHBondContact O-OG 2.9Å; S486-Q490 PolarHBondContact O-N 3.42Å
487I52.5Low55.5Low114 Ų114111.1 Ų111.159%0.58561%0.607SS**Hα-helixtrans-78.7-32.1-179.7-66.1175.1000112.1D483D483-I487 WeakPolarHBondContact O-CG1 3.47Å; D483-I487 PolarHBondContact O-N 3.05Å; D483-I487 VanDerWaalsContact O-N 3.12Å
488H51Low53.7Low148 Ų148109.9 Ų109.969%0.68562%0.615SS**Hα-helixtrans-78.8-29171.5-89.2-34000113.3S484 Q490 A491S484-H488 PolarHBondContact O-N 2.75Å; H488-Q490 VanDerWaalsContact C-N 3.31Å; H488-Q490 PolarHBondContact O-N 3.46Å; H488-A491 PolarHBondContact O-N 2.74Å
489G50.2Low51.9Low50 Ų50110.2 Ų110.252%0.51562%0.624SS.*Hα-helixtrans-69.2-21.4176.700000115.3V485V485-G489 PolarHBondContact O-N 2.82Å
490Q49.8Very low50.6Low164 Ų164112 Ų11277%0.76664%0.642SS**THydrogen-bonded Turntrans-90.5-9.8177.8-82.2-173.9-47.800114.5S486 H488S486-Q490 PolarHBondContact O-N 3.42Å; H488-Q490 VanDerWaalsContact C-N 3.31Å; H488-Q490 PolarHBondContact O-N 3.46Å
491A49.9Very low49.4Very low82 Ų82113.3 Ų113.368%0.67866%0.664SS**SBendtrans-92.3-9.2-18000000113.9H488H488-A491 PolarHBondContact O-N 2.74Å
492E51.9Low48.3Very low178 Ų178115.8 Ų115.883%0.83268%0.675SS**SBendtrans-115.98.5-173-100.8174.6168.700114.7T494E492-T494 PolarHBondContact O-N 3.12Å
493S43.9Very low47.3Very low95 Ų95121 Ų12166%0.66468%0.684SS**  trans-99.976.9-177.474.50000113.8
494T45Very low46.6Very low139 Ų139123.9 Ų123.985%0.85370%0.699SS**  trans-149.381159.920.60000110.6E492E492-T494 PolarHBondContact O-N 3.12Å
495F40.6Very low46Very low210 Ų210130 Ų13092%0.92172%0.718SS**  trans179.4137.5136.5-146.3-108.1000109.5
496V47.2Very low45.2Very low120 Ų120130 Ų13073%0.72772%0.723SS**  trans-139.6168.5-168.4178.60000106.5
497P43.7Very low44.5Very low105 Ų105134.9 Ų134.968%0.68274%0.744SS**  cis-121.3-177.2-29.527.8-5000111
498T42.9Very low43.8Very low121 Ų121138.7 Ų138.774%0.74276%0.76SS**  178.5146.273.738.40000112.7
499D41.9Very low43.4Very low161 Ų161136.2 Ų136.286%0.86176%0.759SS**  trans62.7142151.3-95.7-25.3000120.5
500S44.4Very low42.8Very low109 Ų109139.2 Ų139.276%0.76277%0.769SS**  cis-166.9160.212.454.50000109.2
501G40.1Very low42.4Very low68 Ų68141.1 Ų141.170%0.70178%0.776SS**  trans107.292.2139.800000121.2
502F40.3Very low42Very low184 Ų184144 Ų14481%0.80778%0.78SS**  trans65.8111131.1-93.2-103.3000124
503R39.1Very low41.2Very low205 Ų205143.3 Ų143.377%0.77478%0.776SS**  41.9122.8124.9-90.7179.8173.1172.7-1.6119.5
504N41.8Very low40.8Very low132 Ų132150.3 Ų150.371%0.70679%0.788SS**  173.5149.782.6-109.4-14.1000114.5
505K41.6Very low40.3Very low185 Ų185149.9 Ų149.980%0.80479%0.785SS**  trans78.8111.2146.4-75.4-176.9174.5-174.70121.9
506S38Very low40Very low98 Ų98146.2 Ų146.269%0.68578%0.78SS**  trans-38.5151.1148.3500000116.1
507D39.4Very low39.5Very low165 Ų165149.9 Ų149.988%0.88279%0.786SS**  -159.8133.6119.7-92.2-20.1000111.5
508E37.4Very low39.1Very low193 Ų193150.8 Ų150.890%0.90279%0.792SS**  trans-82.9150.4171.7-68.4172.3132.700110.7
509S42Very low38.6Very low97 Ų97150.3 Ų150.368%0.67879%0.794SS**  trans-172.1132.5136.6-176.40000111.6
510P37.1Very low38.2Very low112 Ų112148.2 Ų148.273%0.72779%0.789SS**  trans-93.5161.116936.6-29000111.4
511F42.7Very low37.8Very low205 Ų205151.5 Ų151.590%0.89979%0.792SS**  trans-133.3128.3166.3-99.1-80.4000112.3
512D40.5Very low37.4Very low142 Ų142156 Ų15676%0.75980%0.795SS**  trans-82.9169.5-177.7-96.9-44.7000114.5
513Q34.6Very low37Very low163 Ų163154.2 Ų154.276%0.76279%0.794SS**  trans-51.4149.6-179.3-63.1163.6-15.900117
514W36.6Very low36.5Very low243 Ų243149 Ų14992%0.9279%0.789SS**  trans-132.7118148.5-82.482.2000110
515T33.3Very low36Very low129 Ų129152.2 Ų152.279%0.79180%0.797SS**  trans-109.9129.2165.343.90000109
516V35.7Very low35.4Very low134 Ų134151.7 Ų151.781%0.81280%0.797SS**  trans-113.6124.1171.6177.20000108.7
517K35.6Very low35Very low196 Ų196153 Ų15385%0.85280%0.801SS**PPolyproline II helixtrans-83.9149169.2-91178.4172.1177.60110.4
518P35.4Very low34.5Very low124 Ų124152.4 Ų152.481%0.80580%0.796SS**PPolyproline II helixtrans-90.8148.2169.534.2-28.6000112.6
519S32.8Very low34Very low111 Ų111151.9 Ų151.978%0.77679%0.794SS**PPolyproline II helixtrans-93.5144.2173.3-179.90000111.4
520P34.4Very low33.5Very low118 Ų118151.1 Ų151.177%0.76679%0.788SS**  trans-114.8136.5164.935-21.5000113.1
521E35Very low33Very low177 Ų177155.1 Ų155.183%0.82779%0.794SS**  trans-124.3118.8165.5-85.7-179.7153.400108.7
522H32.3Very low32.4Very low163 Ų163150.4 Ų150.476%0.75578%0.784SS**  58.6117.4109.8-77.8-60.2000114
523D31.3Very low32Very low146 Ų146151.7 Ų151.778%0.78179%0.79SS**  -153.214470-94.5-32.6000114.3
524S28.6Very low32Very low97 Ų97150.8 Ų150.868%0.67879%0.79SS**  trans-110.4114.7172.553.60000109.9
525F32.1Very low31.6Very low199 Ų199148.6 Ų148.687%0.87379%0.787SS**  trans-95.5118.8162.8-96.1-88.5000109.6
526Q29.3Very low31.6Very low174 Ų174148.3 Ų148.381%0.81379%0.787SS**  trans-69.8132.7177.1-71.7-168.2-30.400111.4
527V28.7Very low31.5Very low126 Ų126146.9 Ų146.976%0.76478%0.783SS**  trans-84.9115.7166.6174.90000107.7
528I30.1Very low31.2Very low151 Ų151145.1 Ų145.177%0.77478%0.783SS**  trans-90.5121.4168.8-64.9175.9000108
529E27Very low31.2Very low183 Ų183145.3 Ų145.386%0.85578%0.782SS**  trans-53.7136.7173.5-72.1176.7132.900112.3
530S30.3Very low31.3Very low80 Ų80145.2 Ų145.256%0.55979%0.788SS**  trans-134.5119.3153.249.30000108.2K374K374-S530 PolarHBondContact NZ-OG 3.01Å
531K26.5Very low31.3Very low196 Ų196142.9 Ų142.985%0.85279%0.786SS**  trans-54.3144.7-177.2-72.3167.4175.2167.40111.7L533K531-L533 PolarHBondContact O-N 2.95Å
532P30.5Very low31.3Very low107 Ų107144.1 Ų144.170%0.69579%0.788SS**  trans-65.5126.9162.1-5.621.4000108.5L534P532-L534 PolarHBondContact O-N 3.13Å; P532-L534 VanDerWaalsContact O-N 3.09Å
533L31.4Very low31.2Very low169 Ų169142.6 Ų142.689%0.88579%0.79SS**SBendtrans-63.7105159.8-77.8160.9000107K531K531-L533 PolarHBondContact O-N 2.95Å
534L35.2Very low31.5Very low143 Ų143142.3 Ų142.375%0.74979%0.794SS**  trans160.197.9145.9-83.3161.4000107.3P532P532-L534 PolarHBondContact O-N 3.13Å; P532-L534 VanDerWaalsContact O-N 3.09Å
535K28.7Very low32.3Very low198 Ų198146 Ų14686%0.86183%0.831SS**  trans-81.8134162.5-81.4-177.5174.1-177.30107.6S537K535-S537 PolarHBondContact O-N 3.33Å
536P32.3Very low32.3Very low122 Ų122143.4 Ų143.479%0.79283%0.828SS**  trans-70121.2158.3-0.917.5000107.3D538P536-D538 PolarHBondContact O-N 2.85Å
537S33.9Very low32.4Very low105 Ų105141.8 Ų141.873%0.73483%0.829SS**  trans-87.3102.8166.652.90000108.7K535 T539K535-S537 PolarHBondContact O-N 3.33Å; S537-T539 PolarHBondContact O-N 3.08Å
538D30Very low32.7Very low159 Ų159142.7 Ų142.785%0.8583%0.833SS**  trans-74.5104.9155.7-80.4-38.8000107.8P536P536-D538 PolarHBondContact O-N 2.85Å
539T34.8Very low32.8Very low128 Ų128142.2 Ų142.279%0.78584%0.836SS**  trans-137.393.4158.78.50000108.6S537S537-T539 PolarHBondContact O-N 3.08Å
540A34.3Very low33.2Very low108 Ų108139.6 Ų139.689%0.89384%0.835SS**  trans-58.2139.4156.300000109.9
541G35.7Very low33.4Very low70 Ų70143.6 Ų143.672%0.72285%0.854SS**  trans143.8101.7153.100000117.1
542K34.1Very low33.8Very low202 Ų202139.9 Ų139.988%0.87885%0.854SS**  trans76.8103139.9-64.5-179.2175.3179.60119.3
543T30.3Very low34.1Very low131 Ų131142.4 Ų142.480%0.80487%0.866SS**  1.7136.9128.728.70000118.7
544V37.4Very low34.3Very low140 Ų140140.2 Ų140.285%0.84886%0.864SS**  178.7137.9110.9157.60000109.5
545A45.3Very low34.3Very low176 Ų176139.9 Ų139.9100%1.45588%0.875SS**  trans84.9017700000117

Retrieved 545 of 545 residues in 678 ms (Link to these results)

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