A0A087XEZ8_POEFO Loading...

Minichromosome maintenance domain-containing protein 2

Plays an important role in meiotic recombination and associated DNA double-strand break repair.

AlphaFold DB , UniProt , Accession A0A087XEZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 683 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
1M42.9Very low78.1Confident208 Ų20874.4 Ų74.4100%1.02542%0.419SS*.  0-41.90-74-160.8-80.900112.4D3 I4 S5M1-D3 PolarHBondContact O-N 2.74Å; M1-I4 PolarHBondContact O-N 3.43Å; M1-S5 PolarHBondContact O-N 2.78Å
2A48.5Very low79.3Confident86 Ų8674.8 Ų74.871%0.71142%0.419SS*.Hα-helixtrans-58.3-42.5176.100000114.2I4 S5 S6A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.16Å; A2-S5 PolarHBondContact O-N 2.84Å; A2-S6 PolarHBondContact O-N 3.33Å
3D67.9Low80.2Confident98 Ų9873.6 Ų73.652%0.52441%0.414SS..Hα-helixtrans-66.1-29.1179.9-68.3-53.9000114.1M1 L7 R58M1-D3 PolarHBondContact O-N 2.74Å; D3-L7 VanDerWaalsContact O-CG 3.31Å; D3-L7 WeakPolarHBondContact O-CG 3.32Å; D3-L7 PolarHBondContact O-N 2.98Å; D3-R58 IonicContact OD1-NH1 3.48Å; D3-R58 PolarHBondContact OD1-NH1 3Å; D3-R58 VanDerWaalsContact OD1-NH1 3.15Å
4I79.1Confident81Confident78 Ų7869.3 Ų69.340%0.439%0.388SS..Hα-helixtrans-76.7-36-178.6-62.7171.8000110.7M1 A2 L7 K8 L73M1-I4 PolarHBondContact O-N 3.43Å; A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.16Å; I4-L7 PolarHBondContact O-N 2.92Å; I4-K8 WeakPolarHBondContact O-CG 3.31Å; I4-K8 PolarHBondContact O-N 3.3Å; I4-K8 VanDerWaalsContact O-N 3.12Å; I4-L73 HydrophobicContact CG2-CD2 4.07Å
5S81.6Confident81.6Confident63 Ų6364.8 Ų64.844%0.44136%0.363SS..Hα-helixtrans-66.2-44.3176.6-161.80000111M1 A2 L7 K8 E9M1-S5 PolarHBondContact O-N 2.78Å; A2-S5 PolarHBondContact O-N 2.84Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 3.29Å; S5-K8 PolarHBondContact O-N 3.17Å; S5-K8 VanDerWaalsContact O-N 3.14Å; S5-E9 PolarHBondContact O-N 3.25Å
6S87.9Confident82.2Confident55 Ų5567.8 Ų67.839%0.38538%0.378SS..Hα-helixtrans-58.5-43.9175.6173.40000111.9A2 K8 E9 S10A2-S6 PolarHBondContact O-N 3.33Å; S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 2.86Å; S6-E9 WeakPolarHBondContact O-CB 3.41Å; S6-E9 PolarHBondContact O-N 2.78Å; S6-S10 PolarHBondContact O-N 3.1Å; S6-S10 PolarHBondContact O-OG 3.36Å
7L88.7Confident82.6Confident12 Ų1274.4 Ų74.46%0.06340%0.396CS..Hα-helixtrans-64.5-35.2176.3-71.8171.3000113.1D3 I4 S5 S10 V11 R58 L59 L73D3-L7 VanDerWaalsContact O-CG 3.31Å; D3-L7 WeakPolarHBondContact O-CG 3.32Å; D3-L7 PolarHBondContact O-N 2.98Å; I4-L7 PolarHBondContact O-N 2.92Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 3.29Å; L7-S10 PolarHBondContact O-N 3.11Å; L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 2.95Å; L7-R58 HydrophobicContact CD2-CB 4.05Å; L7-L59 HydrophobicContact CD2-CB 4.05Å; L7-L73 HydrophobicContact CB-CD1 4.2Å; L7-L73 HydrophobicContact CD1-CD1 4.25Å
8K89.4Confident82.8Confident66 Ų6673.4 Ų73.429%0.28740%0.396SS..Hα-helixtrans-67.2-37.7175.8-72.9-178.9-175.6-167.60112I4 S5 S6 V11 L12 L73 S76 V77I4-K8 WeakPolarHBondContact O-CG 3.31Å; I4-K8 PolarHBondContact O-N 3.3Å; I4-K8 VanDerWaalsContact O-N 3.12Å; S5-K8 PolarHBondContact O-N 3.17Å; S5-K8 VanDerWaalsContact O-N 3.14Å; S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 2.86Å; K8-V11 PolarHBondContact O-N 3.28Å; K8-L12 PolarHBondContact O-N 3.48Å; K8-L73 HydrophobicContact CG-CD2 4.23Å; K8-S76 WeakPolarHBondContact CE-OG 3.27Å; K8-S76 PolarHBondContact NZ-OG 3.34Å; K8-V77 HydrophobicContact CB-CG2 3.84Å; K8-V77 HydrophobicContact CG-CG2 4.04Å; K8-V77 WeakPolarHBondContact O-CG2 3.41Å
9E90.1Very high83Confident124 Ų12471.2 Ų71.258%0.57939%0.392SS*.Hα-helixtrans-63.1-45.7172.9-70.9168.7-164.900110.9S5 S6 V11 L12 V13S5-E9 PolarHBondContact O-N 3.25Å; S6-E9 WeakPolarHBondContact O-CB 3.41Å; S6-E9 PolarHBondContact O-N 2.78Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.32Å; E9-L12 WeakPolarHBondContact O-CB 3.26Å; E9-L12 PolarHBondContact O-N 3.4Å; E9-L12 VanDerWaalsContact O-N 3.13Å; E9-V13 WeakPolarHBondContact O-CG2 3.15Å; E9-V13 PolarHBondContact O-N 3.35Å
10S91.1Very high83.2Confident28 Ų2868.5 Ų68.520%0.19638%0.381CS..Hα-helixtrans-58.1-41.7175.3-59.10000112.3S6 L7 V13 Y14 D56S6-S10 PolarHBondContact O-N 3.1Å; S6-S10 PolarHBondContact O-OG 3.36Å; L7-S10 PolarHBondContact O-N 3.11Å; S10-V13 PolarHBondContact O-N 3.27Å; S10-Y14 WeakPolarHBondContact O-CB 3.38Å; S10-Y14 PolarHBondContact O-N 3.07Å; S10-D56 WeakPolarHBondContact CB-OD2 3.3Å; S10-D56 PolarHBondContact OG-OD2 3.01Å
11V91.6Very high83.4Confident0 Ų066.7 Ų66.70%037%0.37CS..Hα-helixtrans-62.2-43.7175169.30000111.6L7 K8 E9 Y14 L15 L59 F74 V77L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 2.95Å; K8-V11 PolarHBondContact O-N 3.28Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.32Å; V11-Y14 PolarHBondContact O-N 3.15Å; V11-L15 HydrophobicContact CG1-CD1 4Å; V11-L15 HydrophobicContact CG1-CG 4.37Å; V11-L15 WeakPolarHBondContact O-CG 3.31Å; V11-L15 PolarHBondContact O-N 3.13Å; V11-L59 HydrophobicContact CB-CD2 4.49Å; V11-L59 HydrophobicContact CG2-CD1 3.61Å; V11-L59 HydrophobicContact CG2-CD2 3.69Å; V11-L59 HydrophobicContact CG2-CG 4.32Å; V11-F74 HydrophobicContact CG1-CD1 3.63Å; V11-F74 HydrophobicContact CG1-CD2 4.15Å; V11-F74 HydrophobicContact CG1-CE1 3.74Å; V11-F74 HydrophobicContact CG1-CE2 4.26Å; V11-F74 HydrophobicContact CG1-CG 3.84Å; V11-F74 HydrophobicContact CG1-CZ 4.07Å; V11-F74 HydrophobicContact CG2-CD2 4.06Å; V11-F74 HydrophobicContact CG2-CE2 3.82Å; V11-F74 HydrophobicContact CG2-CZ 4.12Å; V11-V77 HydrophobicContact CB-CG2 4.07Å; V11-V77 HydrophobicContact CG1-CB 3.89Å; V11-V77 HydrophobicContact CG1-CG1 4.02Å; V11-V77 HydrophobicContact CG1-CG2 3.87Å
12L92.2Very high85.6Confident80 Ų8063.3 Ų63.342%0.41935%0.352SS..Hα-helixtrans-62-45.8178.3-178.365.9000111.3K8 E9 Y14 L15 D16 L21 V77K8-L12 PolarHBondContact O-N 3.48Å; E9-L12 WeakPolarHBondContact O-CB 3.26Å; E9-L12 PolarHBondContact O-N 3.4Å; E9-L12 VanDerWaalsContact O-N 3.13Å; L12-Y14 VanDerWaalsContact C-N 3.3Å; L12-Y14 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.37Å; L12-D16 PolarHBondContact O-N 3.04Å; L12-L21 HydrophobicContact CD1-CD1 3.97Å; L12-L21 HydrophobicContact CD1-CD2 4.14Å; L12-V77 HydrophobicContact CB-CG1 4.04Å; L12-V77 HydrophobicContact CD1-CG1 4.05Å
13V91.5Very high87.5Confident59 Ų5962.6 Ų62.636%0.35833%0.333SS..Hα-helixtrans-61.6-40.2177.21760000111E9 S10 D16 R17 M55E9-V13 WeakPolarHBondContact O-CG2 3.15Å; E9-V13 PolarHBondContact O-N 3.35Å; S10-V13 PolarHBondContact O-N 3.27Å; V13-D16 PolarHBondContact O-N 2.94Å; V13-R17 WeakPolarHBondContact O-CG 3.29Å; V13-R17 PolarHBondContact O-N 2.94Å; V13-M55 HydrophobicContact CG1-CE 3.57Å
14Y91.6Very high88.5Confident13 Ų1358.3 Ų58.35%0.05131%0.31CS..Hα-helixtrans-63.6-47.3175.5178.9-102.6000112.1S10 V11 L12 D16 R17 S18 N48 D51 L52 F74S10-Y14 WeakPolarHBondContact O-CB 3.38Å; S10-Y14 PolarHBondContact O-N 3.07Å; V11-Y14 PolarHBondContact O-N 3.15Å; L12-Y14 VanDerWaalsContact C-N 3.3Å; L12-Y14 PolarHBondContact O-N 3.49Å; Y14-D16 VanDerWaalsContact C-N 3.27Å; Y14-D16 PolarHBondContact O-N 3.33Å; Y14-R17 PolarHBondContact O-N 3.45Å; Y14-S18 VanDerWaalsContact O-CB 3.3Å; Y14-S18 WeakPolarHBondContact O-CB 3.5Å; Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 2.98Å; Y14-N48 PolarHBondContact OH-N 3.28Å; Y14-D51 HydrophobicContact CE2-CB 4.14Å; Y14-L52 HydrophobicContact CD1-CD2 3.83Å; Y14-L52 HydrophobicContact CD2-CD2 3.37Å; Y14-L52 HydrophobicContact CD2-CG 3.98Å; Y14-L52 HydrophobicContact CE1-CD2 4.15Å; Y14-L52 HydrophobicContact CE1-CG 4.38Å; Y14-L52 HydrophobicContact CE2-CD2 3.73Å; Y14-L52 HydrophobicContact CE2-CG 3.8Å; Y14-L52 HydrophobicContact CG-CD2 3.41Å; Y14-L52 VanDerWaalsContact CG-CD2 3.41Å; Y14-L52 HydrophobicContact CG-CG 4.35Å; Y14-F74 HydrophobicContact CD1-CE1 4.25Å; Y14-F74 HydrophobicContact CD1-CZ 4.34Å
15L90.1Very high88.9Confident2 Ų255.6 Ų55.61%0.0130%0.299CS..Hα-helixtrans-62.7-32.6178.4-70.7173.8000112.6V11 L12 S18 G19 G20 L21 V45 F74 V77V11-L15 HydrophobicContact CG1-CD1 4Å; V11-L15 HydrophobicContact CG1-CG 4.37Å; V11-L15 WeakPolarHBondContact O-CG 3.31Å; V11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.37Å; L15-S18 WeakPolarHBondContact CA-OG 3.47Å; L15-G19 CarbonylContact O-C 3.45Å; L15-G19 PolarHBondContact O-N 3.3Å; L15-G20 WeakPolarHBondContact O-CA 3.43Å; L15-G20 PolarHBondContact O-N 3.05Å; L15-L21 HydrophobicContact CB-CD2 4.04Å; L15-L21 HydrophobicContact CB-CG 3.82Å; L15-L21 HydrophobicContact CD1-CD2 4.37Å; L15-L21 PolarHBondContact O-N 3.39Å; L15-V45 HydrophobicContact CD2-CG1 3.63Å; L15-V45 HydrophobicContact CD2-CG2 4.17Å; L15-F74 HydrophobicContact CD1-CD1 4.4Å; L15-F74 HydrophobicContact CD2-CD1 4.24Å; L15-F74 HydrophobicContact CD2-CE1 4.11Å; L15-F74 HydrophobicContact CG-CD1 4.46Å; L15-F74 HydrophobicContact CG-CE1 4.32Å; L15-V77 HydrophobicContact CD1-CG1 4.06Å
16D90.1Very high89.2Confident113 Ų11355.5 Ų55.560%0.60429%0.294SS*.Hα-helixtrans-68.5-50.4174.1-170.252.3000111.4L12 V13 Y14 S18 G19 L21L12-D16 PolarHBondContact O-N 3.04Å; V13-D16 PolarHBondContact O-N 2.94Å; Y14-D16 VanDerWaalsContact C-N 3.27Å; Y14-D16 PolarHBondContact O-N 3.33Å; D16-S18 PolarHBondContact O-N 2.77Å; D16-G19 PolarHBondContact O-N 3.27Å; D16-L21 HydrophobicContact CB-CD1 3.91Å
17R89.1Confident89.1Confident179 Ų17955.7 Ų55.768%0.67529%0.291SS*.Hα-helixtrans-66.4-36.1-178.6-71.6-177.1-177.1-157.62.5114.1V13 Y14 G19 M55V13-R17 WeakPolarHBondContact O-CG 3.29Å; V13-R17 PolarHBondContact O-N 2.94Å; Y14-R17 PolarHBondContact O-N 3.45Å; R17-G19 VanDerWaalsContact C-N 3.28Å; R17-M55 PolarHBondContact NH1-SD 2.87Å
18S86.7Confident89Confident58 Ų5855.2 Ų55.241%0.40629%0.288SS..THydrogen-bonded Turntrans-81.3-4.7-179.857.90000113.6Y14 L15 D16 G20Y14-S18 VanDerWaalsContact O-CB 3.3Å; Y14-S18 WeakPolarHBondContact O-CB 3.5Å; Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 2.98Å; L15-S18 WeakPolarHBondContact CA-OG 3.47Å; D16-S18 PolarHBondContact O-N 2.77Å; S18-G20 PolarHBondContact O-N 3.3Å
19G87.1Confident88.7Confident31 Ų3159.2 Ų59.232%0.3230%0.302SS..THydrogen-bonded Turntrans737.9-171.300000114L15 D16 R17 L21 Q22 K23L15-G19 CarbonylContact O-C 3.45Å; L15-G19 PolarHBondContact O-N 3.3Å; D16-G19 PolarHBondContact O-N 3.27Å; R17-G19 VanDerWaalsContact C-N 3.28Å; G19-L21 VanDerWaalsContact C-N 3.31Å; G19-L21 PolarHBondContact O-N 3.37Å; G19-Q22 PolarHBondContact O-N 3Å; G19-K23 PolarHBondContact O-N 2.7Å
20G87Confident88.3Confident16 Ų1656.8 Ų56.817%0.16530%0.297CS..Hα-helixtrans-60.9-33.7177.900000114L15 S18 L24L15-G20 WeakPolarHBondContact O-CA 3.43Å; L15-G20 PolarHBondContact O-N 3.05Å; S18-G20 PolarHBondContact O-N 3.3Å; G20-L24 WeakPolarHBondContact O-CB 3.34Å; G20-L24 PolarHBondContact O-N 3.4Å
21L87.7Confident87.7Confident31 Ų3156.9 Ų56.916%0.16230%0.295CS..Hα-helixtrans-67.3-39174.6-72.3179.9000112.5L12 L15 D16 G19 L24 A25 A81L12-L21 HydrophobicContact CD1-CD1 3.97Å; L12-L21 HydrophobicContact CD1-CD2 4.14Å; L15-L21 HydrophobicContact CB-CD2 4.04Å; L15-L21 HydrophobicContact CB-CG 3.82Å; L15-L21 HydrophobicContact CD1-CD2 4.37Å; L15-L21 PolarHBondContact O-N 3.39Å; D16-L21 HydrophobicContact CB-CD1 3.91Å; G19-L21 VanDerWaalsContact C-N 3.31Å; G19-L21 PolarHBondContact O-N 3.37Å; L21-L24 WeakPolarHBondContact O-CB 3.41Å; L21-L24 PolarHBondContact O-N 3.08Å; L21-A25 PolarHBondContact O-N 2.93Å; L21-A81 HydrophobicContact CD2-CB 4.05Å
22Q88.3Confident86.8Confident137 Ų13760.9 Ų60.964%0.6432%0.316SS*.Hα-helixtrans-66.4-45.1176.9-174.6170.29.100110.4G19 L24 A25 D26G19-Q22 PolarHBondContact O-N 3Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 2.87Å; Q22-A25 WeakPolarHBondContact O-CB 3.29Å; Q22-A25 PolarHBondContact O-N 3.44Å; Q22-A25 VanDerWaalsContact O-N 3.13Å; Q22-D26 PolarHBondContact O-N 3.45Å
23K89.3Confident85.6Confident71 Ų7163.9 Ų63.931%0.30933%0.332SS..Hα-helixtrans-58.9-43.4173.6-171.7-175.1176.2-166.60112G19 A25 D26 D27 R44G19-K23 PolarHBondContact O-N 2.7Å; K23-A25 VanDerWaalsContact C-N 3.29Å; K23-A25 PolarHBondContact O-N 2.84Å; K23-D26 PolarHBondContact O-N 3.34Å; K23-D27 WeakPolarHBondContact O-CB 3.23Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.49Å; K23-R44 PolarHBondContact NZ-O 3.16Å
24L88.6Confident84.5Confident8 Ų864.1 Ų64.14%0.04233%0.334CS..Hα-helixtrans-58-42.1175.2-178.269.5000111.7G20 L21 Q22 C28 F43 C78 A81 I82G20-L24 WeakPolarHBondContact O-CB 3.34Å; G20-L24 PolarHBondContact O-N 3.4Å; L21-L24 WeakPolarHBondContact O-CB 3.41Å; L21-L24 PolarHBondContact O-N 3.08Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 2.87Å; L24-C28 PolarHBondContact O-N 3.48Å; L24-C28 VanDerWaalsContact O-N 3.12Å; L24-C28 PolarHBondContact O-SG 2.73Å; L24-F43 HydrophobicContact CD1-CB 4.11Å; L24-F43 HydrophobicContact CD1-CD1 3.4Å; L24-F43 HydrophobicContact CD1-CD2 4.23Å; L24-F43 HydrophobicContact CD1-CE1 3.78Å; L24-F43 HydrophobicContact CD1-CG 3.63Å; L24-F43 HydrophobicContact CD1-CZ 4.33Å; L24-C78 HydrophobicContact CD1-CB 4.37Å; L24-C78 HydrophobicContact CD2-CB 4.13Å; L24-A81 HydrophobicContact CD2-CB 4.1Å; L24-I82 HydrophobicContact CD1-CD1 4.33Å; L24-I82 HydrophobicContact CD2-CG1 4.22Å; L24-I82 HydrophobicContact CG-CG1 4.42Å
25A87.6Confident83Confident21 Ų2172.9 Ų72.917%0.17438%0.375CS..Hα-helixtrans-66.3-41176.200000112.3L21 Q22 K23 C28 R29 L87L21-A25 PolarHBondContact O-N 2.93Å; Q22-A25 WeakPolarHBondContact O-CB 3.29Å; Q22-A25 PolarHBondContact O-N 3.44Å; Q22-A25 VanDerWaalsContact O-N 3.13Å; K23-A25 VanDerWaalsContact C-N 3.29Å; K23-A25 PolarHBondContact O-N 2.84Å; A25-C28 PolarHBondContact O-N 3.42Å; A25-R29 WeakPolarHBondContact O-CG 3.22Å; A25-R29 PolarHBondContact O-N 3.28Å; A25-L87 HydrophobicContact CB-CD1 4.15Å; A25-L87 HydrophobicContact CB-CD2 3.93Å
26D87.8Confident81.7Confident61 Ų6179.9 Ų79.933%0.32641%0.408SS..Hα-helixtrans-63.1-44.8175.1-65.8-32.2000111.4Q22 K23 C28 R29 P30Q22-D26 PolarHBondContact O-N 3.45Å; K23-D26 PolarHBondContact O-N 3.34Å; D26-C28 PolarHBondContact O-N 2.89Å; D26-R29 WeakPolarHBondContact O-CB 3.44Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.39Å; D26-R29 IonicContact OD1-NE 3.26Å; D26-R29 IonicContact OD1-NH1 2.97Å; D26-R29 PolarHBondContact OD1-NH1 3.46Å; D26-R29 IonicContact OD1-NH2 2.71Å; D26-R29 PolarHBondContact OD1-NH2 2.89Å; D26-P30 VanDerWaalsContact O-CD 3.3Å; D26-P30 WeakPolarHBondContact O-CD 3.35Å
27D85.7Confident80.7Confident60 Ų6077.3 Ų77.332%0.32140%0.397SS..Hα-helixtrans-62.8-28.6177.4-70.1-12.5000112.1K23 P30 F43K23-D27 WeakPolarHBondContact O-CB 3.23Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.49Å; D27-P30 WeakPolarHBondContact O-CD 3.28Å; D27-F43 HydrophobicContact CB-CD1 3.97Å; D27-F43 HydrophobicContact CB-CE1 4.09Å
28C85.3Confident79.9Confident1 Ų171.8 Ų71.81%0.00738%0.378CS..Hα-helixtrans-79.6-21.8177.4-68.40000114.2L24 A25 D26 L31 L87 T88L24-C28 PolarHBondContact O-N 3.48Å; L24-C28 VanDerWaalsContact O-N 3.12Å; L24-C28 PolarHBondContact O-SG 2.73Å; A25-C28 PolarHBondContact O-N 3.42Å; D26-C28 PolarHBondContact O-N 2.89Å; C28-L31 WeakPolarHBondContact O-CB 3.25Å; C28-L31 PolarHBondContact O-N 3.4Å; C28-L87 HydrophobicContact CB-CB 3.96Å; C28-T88 PolarHBondContact O-OG1 2.99Å
29R84.3Confident79.3Confident151 Ų15169 Ų6957%0.5736%0.36SS*.Hα-helixtrans-58.2-51.8-179.3-68.3-177.2-170.713816.7114.1A25 D26 L31 N32A25-R29 WeakPolarHBondContact O-CG 3.22Å; A25-R29 PolarHBondContact O-N 3.28Å; D26-R29 WeakPolarHBondContact O-CB 3.44Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.39Å; D26-R29 IonicContact OD1-NE 3.26Å; D26-R29 IonicContact OD1-NH1 2.97Å; D26-R29 PolarHBondContact OD1-NH1 3.46Å; D26-R29 IonicContact OD1-NH2 2.71Å; D26-R29 PolarHBondContact OD1-NH2 2.89Å; R29-L31 PolarHBondContact O-N 2.91Å; R29-N32 PolarHBondContact O-N 3.35Å; R29-N32 VanDerWaalsContact O-N 3.07Å
30P81.1Confident79Confident73 Ų7367.7 Ų67.747%0.47435%0.345SS..Hα-helixtrans-65-23.8-179.126.4-35.6000112.6D26 D27 N32 D33 T34D26-P30 VanDerWaalsContact O-CD 3.3Å; D26-P30 WeakPolarHBondContact O-CD 3.35Å; D27-P30 WeakPolarHBondContact O-CD 3.28Å; P30-N32 PolarHBondContact O-N 2.86Å; P30-D33 PolarHBondContact O-N 3.02Å; P30-T34 PolarHBondContact O-OG1 3.29Å
31L79.1Confident78.9Confident30 Ų3067.3 Ų67.316%0.15734%0.339CS..Hα-helixtrans-66.7-21.4176.4-56.2178.9000112.3C28 R29 Y41 F43 K90C28-L31 WeakPolarHBondContact O-CB 3.25Å; C28-L31 PolarHBondContact O-N 3.4Å; R29-L31 PolarHBondContact O-N 2.91Å; L31-Y41 HydrophobicContact CD1-CD1 3.66Å; L31-Y41 HydrophobicContact CD1-CE1 4.14Å; L31-Y41 HydrophobicContact CD1-CG 4.38Å; L31-Y41 HydrophobicContact CD2-CD1 3.78Å; L31-Y41 HydrophobicContact CD2-CE1 3.91Å; L31-Y41 HydrophobicContact CG-CD1 4.31Å; L31-Y41 HydrophobicContact CG-CE1 4.48Å; L31-F43 HydrophobicContact CD1-CE1 4.47Å; L31-F43 HydrophobicContact CD1-CZ 4.19Å; L31-K90 WeakPolarHBondContact O-CD 3.43Å; L31-K90 WeakPolarHBondContact O-CE 3.47Å; L31-K90 PolarHBondContact O-NZ 2.92Å
32N73.3Confident78.7Confident83 Ų8370 Ų7044%0.44435%0.347SS..Hα-helixtrans-78.7-23.1177-68-22.6000112.2R29 P30 L87 T88R29-N32 PolarHBondContact O-N 3.35Å; R29-N32 VanDerWaalsContact O-N 3.07Å; P30-N32 PolarHBondContact O-N 2.86Å; N32-L87 PolarHBondContact ND2-O 3.32Å; N32-T88 WeakPolarHBondContact OD1-CB 3.34Å; N32-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N32-T88 PolarHBondContact OD1-OG1 3.25Å
33D67.3Low78.7Confident143 Ų14363.7 Ų63.777%0.76532%0.317SS*.Hα-helixtrans-84.9-27.5-176.1-67-27.9000113.4P30P30-D33 PolarHBondContact O-N 3.02Å
34T67.5Low78.5Confident65 Ų6563.2 Ų63.240%0.39931%0.313SS..  trans-69.1144.6178.9-14.10000110.6P30 K90P30-T34 PolarHBondContact O-OG1 3.29Å; T34-K90 PolarHBondContact O-NZ 3.26Å
35Q59.8Low78.6Confident196 Ų19663.5 Ų63.592%0.91632%0.315SS*.SBendtrans-86.5-14.2173.1-71.8-174.6-1.900113.4
36Q63.7Low78.6Confident150 Ų15067 Ų6770%0.70133%0.33SS*.PPolyproline II helixtrans-89142.7-176.5-65.9-178.7-2.900111.2K90Q36-K90 PolarHBondContact O-NZ 3.45Å
37T68.1Low78.7Confident59 Ų5964 Ų6436%0.36232%0.315SS..PPolyproline II helixtrans-99.3126.5172-55.50000107.7F163 F198T37-F163 HydrophobicContact CG2-CZ 4.15Å; T37-F198 WeakPolarHBondContact O-CE1 3.38Å
38E72.6Confident78.9Confident62 Ų6262.4 Ų62.429%0.2931%0.306SS..PPolyproline II helixtrans-95.5158-179.5-68.2176.1-172.300110.8Y41E38-Y41 HydrophobicContact CB-CE1 4.04Å; E38-Y41 HydrophobicContact CB-CE2 4.46Å; E38-Y41 PolarHBondContact N-OH 3.2Å; E38-Y41 VanDerWaalsContact N-OH 3.14Å
39A73.6Confident79.1Confident1 Ų162.4 Ų62.41%0.00831%0.306CS..SBendtrans-74.2-31.6175.400000112.2R149 I166 F198 V200A39-R149 HydrophobicContact CB-CB 4.44Å; A39-I166 VanDerWaalsContact O-CD1 3.24Å; A39-I166 WeakPolarHBondContact O-CD1 3.39Å; A39-F198 HydrophobicContact CB-CB 3.93Å; A39-F198 HydrophobicContact CB-CD1 4.29Å; A39-F198 WeakPolarHBondContact CB-O 3.35Å; A39-V200 HydrophobicContact CB-CG2 4.32Å
40V81.6Confident79.3Confident3 Ų357.2 Ų57.22%0.01829%0.293CS..  trans-142.1128.6-171.9-174.50000108.9Q96 N98 I166 V168 V200V40-Q96 CarbonylContact C-O 3.39Å; V40-Q96 WeakPolarHBondContact CA-O 3.14Å; V40-N98 HydrophobicContact CG1-CB 3.62Å; V40-I166 HydrophobicContact CG2-CG2 3.61Å; V40-V168 HydrophobicContact CG1-CG1 4.1Å; V40-V168 HydrophobicContact CG1-CG2 3.81Å; V40-V168 HydrophobicContact CG2-CG2 3.82Å; V40-V200 HydrophobicContact CB-CG2 4.44Å
41Y84.3Confident79.6Confident7 Ų757.1 Ų57.13%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-110.6122.2174.1-64.5-80.4000109.2L31 E38 I91 Q96 N98L31-Y41 HydrophobicContact CD1-CD1 3.66Å; L31-Y41 HydrophobicContact CD1-CE1 4.14Å; L31-Y41 HydrophobicContact CD1-CG 4.38Å; L31-Y41 HydrophobicContact CD2-CD1 3.78Å; L31-Y41 HydrophobicContact CD2-CE1 3.91Å; L31-Y41 HydrophobicContact CG-CD1 4.31Å; L31-Y41 HydrophobicContact CG-CE1 4.48Å; E38-Y41 HydrophobicContact CB-CE1 4.04Å; E38-Y41 HydrophobicContact CB-CE2 4.46Å; E38-Y41 PolarHBondContact N-OH 3.2Å; E38-Y41 VanDerWaalsContact N-OH 3.14Å; Y41-I91 HydrophobicContact CD2-CD1 4.06Å; Y41-I91 HydrophobicContact CD2-CG1 3.55Å; Y41-I91 HydrophobicContact CE2-CG1 3.79Å; Y41-I91 HydrophobicContact CG-CD1 4.14Å; Y41-I91 HydrophobicContact CG-CG1 4.11Å; Y41-Q96 HydrophobicContact CD2-CB 4.32Å; Y41-Q96 PolarHBondContact N-O 2.8Å; Y41-N98 PolarHBondContact O-N 3.04Å
42R84.1Confident80.1Confident89 Ų8955.7 Ų55.734%0.33628%0.281SS..EExtended strand (participates in β ladder)trans-96134.7-176.8-173.5-172.3-175.1145.6-5.4111.8N98 S100 D239R42-N98 CarbonylContact C-O 3.54Å; R42-N98 VanDerWaalsContact CA-O 3.3Å; R42-N98 WeakPolarHBondContact CA-O 3.44Å; R42-S100 PolarHBondContact NE-OG 2.97Å; R42-D239 IonicContact CZ-OD2 2.72Å; R42-D239 VanDerWaalsContact NH1-CG 3.33Å; R42-D239 IonicContact NH1-OD1 3.72Å; R42-D239 IonicContact NH1-OD2 3.5Å; R42-D239 PolarHBondContact NH1-OD2 3.43Å; R42-D239 IonicContact NH2-OD2 3.11Å
43F87.8Confident80.9Confident4 Ų455 Ų552%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-125.4142.2172.5-58.3-77.9000111.2L24 D27 L31 I82 I91 V97 N98 V99 S100L24-F43 HydrophobicContact CD1-CB 4.11Å; L24-F43 HydrophobicContact CD1-CD1 3.4Å; L24-F43 HydrophobicContact CD1-CD2 4.23Å; L24-F43 HydrophobicContact CD1-CE1 3.78Å; L24-F43 HydrophobicContact CD1-CG 3.63Å; L24-F43 HydrophobicContact CD1-CZ 4.33Å; D27-F43 HydrophobicContact CB-CD1 3.97Å; D27-F43 HydrophobicContact CB-CE1 4.09Å; L31-F43 HydrophobicContact CD1-CE1 4.47Å; L31-F43 HydrophobicContact CD1-CZ 4.19Å; F43-I82 HydrophobicContact CE2-CD1 3.93Å; F43-I82 HydrophobicContact CZ-CD1 3.93Å; F43-I91 HydrophobicContact CE2-CD1 4.28Å; F43-I91 HydrophobicContact CZ-CD1 4.11Å; F43-V97 HydrophobicContact CD2-CG1 3.76Å; F43-V97 HydrophobicContact CE2-CG1 3.97Å; F43-N98 PolarHBondContact N-O 3.16Å; F43-V99 WeakPolarHBondContact O-CA 3.44Å; F43-S100 PolarHBondContact O-N 3.09Å; F43-S100 PolarHBondContact O-OG 3.2Å
44R85.8Confident81.9Confident61 Ų6156 Ų5623%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-113112.8-177.1-70.9-178.468-149.410.6111K23 S100 N102 E240K23-R44 PolarHBondContact NZ-O 3.16Å; R44-S100 WeakPolarHBondContact CG-OG 3.48Å; R44-N102 PolarHBondContact NH2-ND2 3.34Å; R44-E240 WeakPolarHBondContact CD-OE1 3.35Å; R44-E240 IonicContact CZ-OE1 3.38Å; R44-E240 IonicContact CZ-OE2 2.73Å; R44-E240 VanDerWaalsContact CZ-OE2 3.29Å; R44-E240 IonicContact NE-OE1 3.84Å; R44-E240 IonicContact NH1-OE1 2.77Å; R44-E240 PolarHBondContact NH1-OE1 3.15Å; R44-E240 IonicContact NH1-OE2 2.91Å; R44-E240 PolarHBondContact NH1-OE2 3.38Å; R44-E240 IonicContact NH2-OE2 3.28Å
45V89.8Confident83Confident13 Ų1356.2 Ų56.28%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-103.8118.3178-179.70000108.3L15 V47 F74 V99 S100 L101 N102L15-V45 HydrophobicContact CD2-CG1 3.63Å; L15-V45 HydrophobicContact CD2-CG2 4.17Å; V45-V47 HydrophobicContact CG1-CG2 3.98Å; V45-F74 HydrophobicContact CG1-CD1 4.01Å; V45-F74 HydrophobicContact CG1-CE1 3.85Å; V45-F74 HydrophobicContact CG2-CD1 4.42Å; V45-V99 HydrophobicContact CB-CG1 4.33Å; V45-V99 HydrophobicContact CG2-CG1 3.74Å; V45-S100 PolarHBondContact N-O 3.35Å; V45-L101 HydrophobicContact CB-CD2 4.17Å; V45-N102 PolarHBondContact O-N 2.65Å
46L88.9Confident84.5Confident94 Ų9448 Ų4849%0.49224%0.237SC..EExtended strand (participates in β ladder)trans-74.9128.8170.8-66.3173.7000108.3N102 T104L46-N102 WeakPolarHBondContact CA-O 3.28Å; L46-N102 HydrophobicContact CD2-CB 3.91Å; L46-T104 HydrophobicContact CB-CG2 4.44Å
47V89.9Confident85.7Confident0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-123.6122.6-176.8-179.20000109.4V45 L52 V63 L101 N102 F103 T104V45-V47 HydrophobicContact CG1-CG2 3.98Å; V47-L52 HydrophobicContact CG1-CD1 3.28Å; V47-L52 HydrophobicContact CG1-CG 4.27Å; V47-V63 HydrophobicContact CG1-CG1 3.97Å; V47-L101 HydrophobicContact CG2-CB 4.16Å; V47-L101 HydrophobicContact CG2-CD2 3.98Å; V47-N102 PolarHBondContact N-O 3.06Å; V47-F103 WeakPolarHBondContact O-CA 3.43Å; V47-T104 PolarHBondContact O-N 3.38Å; V47-T104 PolarHBondContact O-OG1 2.87Å
48N90.1Very high86.8Confident26 Ų2650.1 Ų50.114%0.13924%0.242CC..  trans-100.6109.5166.5177.3-15.6000108Y14 S50 D51 L52 H105Y14-N48 PolarHBondContact OH-N 3.28Å; N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact O-N 3.5Å; N48-S50 WeakPolarHBondContact OD1-CB 3.45Å; N48-S50 PolarHBondContact OD1-N 3.16Å; N48-D51 HydrophobicContact CB-CB 4.14Å; N48-D51 VanDerWaalsContact CB-OD2 3.28Å; N48-D51 WeakPolarHBondContact CB-OD2 3.36Å; N48-D51 PolarHBondContact ND2-OD1 3.27Å; N48-D51 PolarHBondContact ND2-OD2 3.03Å; N48-D51 PolarHBondContact O-N 3.49Å; N48-D51 PolarHBondContact OD1-N 2.73Å; N48-L52 PolarHBondContact O-N 3.19Å; N48-L52 VanDerWaalsContact O-N 3.17Å; N48-H105 PolarHBondContact ND2-CE1 2.96Å; N48-H105 VanDerWaalsContact ND2-CE1 3.35Å; N48-H105 PolarHBondContact OD1-CE1 3.32Å; N48-H105 PolarHBondContact OD1-NE2 2.95Å
49P88.3Confident87.6Confident0 Ų047.3 Ų47.30%023%0.229CC..Hα-helixtrans-60.8-33.1179.6-25.235.7000113.9L52 I53 L64 F103 H105P49-L52 PolarHBondContact O-N 2.78Å; P49-I53 WeakPolarHBondContact O-CD1 3.19Å; P49-I53 WeakPolarHBondContact O-CG1 3.43Å; P49-I53 PolarHBondContact O-N 3.42Å; P49-L64 HydrophobicContact CB-CD1 4.18Å; P49-L64 HydrophobicContact CB-CD2 3.85Å; P49-L64 HydrophobicContact CB-CG 4.14Å; P49-L64 HydrophobicContact CG-CD2 3.93Å; P49-F103 HydrophobicContact CG-CD1 3.9Å; P49-F103 HydrophobicContact CG-CE1 4.35Å; P49-H105 WeakPolarHBondContact CD-O 3.42Å; P49-H105 WeakPolarHBondContact CG-O 3.25Å
50S87.8Confident88.4Confident43 Ų4347.2 Ų47.230%0.30123%0.229SC..Hα-helixtrans-66.4-47.2-179.7-580000111.1N48 L52 I53 E54 H105N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact O-N 3.5Å; N48-S50 WeakPolarHBondContact OD1-CB 3.45Å; N48-S50 PolarHBondContact OD1-N 3.16Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.16Å; S50-I53 PolarHBondContact O-N 2.89Å; S50-I53 VanDerWaalsContact O-N 3.16Å; S50-E54 WeakPolarHBondContact O-CG 3.37Å; S50-E54 PolarHBondContact O-N 3.25Å; S50-H105 PolarHBondContact OG-NE2 2.53Å
51D89Confident88.7Confident71 Ų7151.3 Ų51.338%0.3825%0.25SS..Hα-helixtrans-61.8-37.8176.7-57.8-9.7000111.1Y14 N48 M55Y14-D51 HydrophobicContact CE2-CB 4.14Å; N48-D51 HydrophobicContact CB-CB 4.14Å; N48-D51 VanDerWaalsContact CB-OD2 3.28Å; N48-D51 WeakPolarHBondContact CB-OD2 3.36Å; N48-D51 PolarHBondContact ND2-OD1 3.27Å; N48-D51 PolarHBondContact ND2-OD2 3.03Å; N48-D51 PolarHBondContact O-N 3.49Å; N48-D51 PolarHBondContact OD1-N 2.73Å; D51-M55 WeakPolarHBondContact O-CB 3.3Å; D51-M55 VanDerWaalsContact O-CG 3.23Å; D51-M55 WeakPolarHBondContact O-CG 3.16Å; D51-M55 PolarHBondContact O-N 3.35Å
52L89.4Confident88.9Confident0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-65.9-41.3176.2-81.9179.3000112.5Y14 V47 N48 P49 S50 M55 D56 L59 V63Y14-L52 HydrophobicContact CD1-CD2 3.83Å; Y14-L52 HydrophobicContact CD2-CD2 3.37Å; Y14-L52 HydrophobicContact CD2-CG 3.98Å; Y14-L52 HydrophobicContact CE1-CD2 4.15Å; Y14-L52 HydrophobicContact CE1-CG 4.38Å; Y14-L52 HydrophobicContact CE2-CD2 3.73Å; Y14-L52 HydrophobicContact CE2-CG 3.8Å; Y14-L52 HydrophobicContact CG-CD2 3.41Å; Y14-L52 VanDerWaalsContact CG-CD2 3.41Å; Y14-L52 HydrophobicContact CG-CG 4.35Å; V47-L52 HydrophobicContact CG1-CD1 3.28Å; V47-L52 HydrophobicContact CG1-CG 4.27Å; N48-L52 PolarHBondContact O-N 3.19Å; N48-L52 VanDerWaalsContact O-N 3.17Å; P49-L52 PolarHBondContact O-N 2.78Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.16Å; L52-M55 PolarHBondContact O-N 3.02Å; L52-D56 CarbonylContact O-C 3.5Å; L52-D56 VanDerWaalsContact O-C 3.3Å; L52-D56 PolarHBondContact O-N 3.22Å; L52-L59 HydrophobicContact CD2-CD2 3.66Å; L52-L59 HydrophobicContact CD2-CG 4.08Å; L52-V63 HydrophobicContact CD1-CB 4.24Å; L52-V63 HydrophobicContact CD1-CG1 4.17Å; L52-V63 HydrophobicContact CD1-CG2 3.84Å
53I89.3Confident89.2Confident67 Ų6747.1 Ų47.134%0.34424%0.236SC..Hα-helixtrans-66.8-39.9178.4-69.8164.1000110.5P49 S50 M55 P57 L64P49-I53 WeakPolarHBondContact O-CD1 3.19Å; P49-I53 WeakPolarHBondContact O-CG1 3.43Å; P49-I53 PolarHBondContact O-N 3.42Å; S50-I53 PolarHBondContact O-N 2.89Å; S50-I53 VanDerWaalsContact O-N 3.16Å; I53-M55 VanDerWaalsContact C-N 3.28Å; I53-M55 PolarHBondContact O-N 3.47Å; I53-P57 WeakPolarHBondContact O-CD 3.44Å; I53-P57 WeakPolarHBondContact O-CG 3.4Å; I53-L64 HydrophobicContact CD1-CD1 4Å
54E89.7Confident89.2Confident166 Ų16647.2 Ų47.278%0.77624%0.237SC*.Hα-helixtrans-63.8-35.4174.9-72-176.1179.500112.3S50S50-E54 WeakPolarHBondContact O-CG 3.37Å; S50-E54 PolarHBondContact O-N 3.25Å
55M89.1Confident89.2Confident69 Ų6946.8 Ų46.834%0.3424%0.237SC..Hα-helixtrans-75.3-56177.4-78.8-63-5400113.3V13 R17 D51 L52 I53V13-M55 HydrophobicContact CG1-CE 3.57Å; R17-M55 PolarHBondContact NH1-SD 2.87Å; D51-M55 WeakPolarHBondContact O-CB 3.3Å; D51-M55 VanDerWaalsContact O-CG 3.23Å; D51-M55 WeakPolarHBondContact O-CG 3.16Å; D51-M55 PolarHBondContact O-N 3.35Å; L52-M55 PolarHBondContact O-N 3.02Å; I53-M55 VanDerWaalsContact C-N 3.28Å; I53-M55 PolarHBondContact O-N 3.47Å
56D91.1Very high89Confident24 Ų2449.2 Ų49.213%0.12825%0.25CC..  trans-149.6104.1179.8-177.9-11.8000109.2S10 L52 R58 L59 G60S10-D56 WeakPolarHBondContact CB-OD2 3.3Å; S10-D56 PolarHBondContact OG-OD2 3.01Å; L52-D56 CarbonylContact O-C 3.5Å; L52-D56 VanDerWaalsContact O-C 3.3Å; L52-D56 PolarHBondContact O-N 3.22Å; D56-R58 PolarHBondContact O-N 3.02Å; D56-R58 VanDerWaalsContact O-N 3.1Å; D56-R58 WeakPolarHBondContact OD1-CB 3.29Å; D56-R58 PolarHBondContact OD1-N 3.4Å; D56-L59 HydrophobicContact CB-CB 4.01Å; D56-L59 PolarHBondContact O-N 3.27Å; D56-G60 PolarHBondContact O-N 3.09Å
57P90.1Very high88.8Confident85 Ų8545.1 Ų45.155%0.55223%0.229SC*.Hα-helixtrans-55.8-31-179.6-26.733.5000113.8I53 D61I53-P57 WeakPolarHBondContact O-CD 3.44Å; I53-P57 WeakPolarHBondContact O-CG 3.4Å; P57-D61 VanDerWaalsContact O-CB 3.3Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 PolarHBondContact O-N 3Å
58R91.1Very high88.5Confident168 Ų16849.3 Ų49.363%0.63425%0.25SS*.Hα-helixtrans-72.5-36.6-179.7-62.1-179.8174.3-165.7-1.3111.4D3 L7 D56 C62D3-R58 IonicContact OD1-NH1 3.48Å; D3-R58 PolarHBondContact OD1-NH1 3Å; D3-R58 VanDerWaalsContact OD1-NH1 3.15Å; L7-R58 HydrophobicContact CD2-CB 4.05Å; D56-R58 PolarHBondContact O-N 3.02Å; D56-R58 VanDerWaalsContact O-N 3.1Å; D56-R58 WeakPolarHBondContact OD1-CB 3.29Å; D56-R58 PolarHBondContact OD1-N 3.4Å; R58-C62 WeakPolarHBondContact O-CB 3.42Å; R58-C62 PolarHBondContact O-N 3.23Å; R58-C62 VanDerWaalsContact O-N 3.07Å
59L89.9Confident88.4Confident2 Ų254.3 Ų54.31%0.0127%0.267CS..Hα-helixtrans-70.4-42.8175-178.858.6000110.8L7 V11 L52 D56 C62 V63 F74L7-L59 HydrophobicContact CD2-CB 4.05Å; V11-L59 HydrophobicContact CB-CD2 4.49Å; V11-L59 HydrophobicContact CG2-CD1 3.61Å; V11-L59 HydrophobicContact CG2-CD2 3.69Å; V11-L59 HydrophobicContact CG2-CG 4.32Å; L52-L59 HydrophobicContact CD2-CD2 3.66Å; L52-L59 HydrophobicContact CD2-CG 4.08Å; D56-L59 HydrophobicContact CB-CB 4.01Å; D56-L59 PolarHBondContact O-N 3.27Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 3.42Å; L59-V63 HydrophobicContact CD1-CG2 4.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.38Å; L59-V63 PolarHBondContact O-N 3.04Å; L59-F74 HydrophobicContact CD1-CE2 4.41Å
60G88.8Confident88.5Confident0 Ų054.3 Ų54.30%027%0.267CS..Hα-helixtrans-59-45.2173.700000112.9D56 V63 L64D56-G60 PolarHBondContact O-N 3.09Å; G60-V63 PolarHBondContact O-N 3.14Å; G60-L64 PolarHBondContact O-N 2.95Å; G60-L64 VanDerWaalsContact O-N 3.13Å
61D88.9Confident88.6Confident88 Ų8853.4 Ų53.447%0.47126%0.26SS..Hα-helixtrans-59.4-47.3174.8-17866.4000111.9P57 V63 L64 H65P57-D61 VanDerWaalsContact O-CB 3.3Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 PolarHBondContact O-N 3Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 2.67Å; D61-L64 PolarHBondContact O-N 3.01Å; D61-H65 VanDerWaalsContact O-CB 3.3Å; D61-H65 WeakPolarHBondContact O-CB 3.17Å; D61-H65 PolarHBondContact O-N 3.43Å; D61-H65 PolarHBondContact O-ND1 3.19Å; D61-H65 VanDerWaalsContact O-ND1 3.12Å; D61-H65 IonicContact OD1-CE1 3.53Å; D61-H65 PolarHBondContact OD1-CE1 2.91Å; D61-H65 IonicContact OD1-CG 2.77Å; D61-H65 IonicContact OD1-ND1 2.54Å; D61-H65 PolarHBondContact OD1-ND1 3.26Å; D61-H65 IonicContact OD1-NE2 3.54Å
62C88.8Confident88.5Confident9 Ų951.6 Ų51.66%0.06126%0.258CS..Hα-helixtrans-57.7-45.8177.3-172.80000111.9R58 L59 L64 D66R58-C62 WeakPolarHBondContact O-CB 3.42Å; R58-C62 PolarHBondContact O-N 3.23Å; R58-C62 VanDerWaalsContact O-N 3.07Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 3.42Å; C62-L64 VanDerWaalsContact C-N 3.35Å; C62-L64 PolarHBondContact O-N 2.89Å; C62-D66 CarbonylContact O-C 3.52Å; C62-D66 WeakPolarHBondContact O-CA 3.2Å; C62-D66 PolarHBondContact O-N 2.89Å
63V89.3Confident88.6Confident0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-63.8-37.6-179.7161.80000112.5V47 L52 L59 G60 D61 A70 F74 F103V47-V63 HydrophobicContact CG1-CG1 3.97Å; L52-V63 HydrophobicContact CD1-CB 4.24Å; L52-V63 HydrophobicContact CD1-CG1 4.17Å; L52-V63 HydrophobicContact CD1-CG2 3.84Å; L59-V63 HydrophobicContact CD1-CG2 4.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.38Å; L59-V63 PolarHBondContact O-N 3.04Å; G60-V63 PolarHBondContact O-N 3.14Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 2.67Å; V63-A70 HydrophobicContact CB-CB 4.38Å; V63-A70 HydrophobicContact CG2-CB 3.7Å; V63-F74 HydrophobicContact CG2-CE2 4.21Å; V63-F103 HydrophobicContact CG1-CE1 3.51Å; V63-F103 HydrophobicContact CG1-CZ 4.08Å
64L88.1Confident88.8Confident6 Ų649 Ų493%0.03125%0.245CC..Hα-helixtrans-84.1-32.5-178.9-70.5173.4000113.6P49 I53 G60 D61 C62 L106 P107 Y112 P128P49-L64 HydrophobicContact CB-CD1 4.18Å; P49-L64 HydrophobicContact CB-CD2 3.85Å; P49-L64 HydrophobicContact CB-CG 4.14Å; P49-L64 HydrophobicContact CG-CD2 3.93Å; I53-L64 HydrophobicContact CD1-CD1 4Å; G60-L64 PolarHBondContact O-N 2.95Å; G60-L64 VanDerWaalsContact O-N 3.13Å; D61-L64 PolarHBondContact O-N 3.01Å; C62-L64 VanDerWaalsContact C-N 3.35Å; C62-L64 PolarHBondContact O-N 2.89Å; L64-L106 HydrophobicContact CD2-CD2 4.03Å; L64-P107 HydrophobicContact CD1-CG 4.12Å; L64-Y112 HydrophobicContact CB-CE1 4.04Å; L64-Y112 WeakPolarHBondContact CB-OH 3.32Å; L64-Y112 HydrophobicContact CD2-CE1 4.05Å; L64-Y112 HydrophobicContact CG-CE1 4.48Å; L64-P128 HydrophobicContact CD2-CG 4.46Å; L64-P128 VanDerWaalsContact O-CD 3.26Å; L64-P128 WeakPolarHBondContact O-CD 3.2Å
65H85.8Confident88.9Confident51 Ų5143.6 Ų43.624%0.23622%0.22CC..Hα-helixtrans-98.2-30.8-174.1-70.177.1000113.8D61 Y112 R127D61-H65 VanDerWaalsContact O-CB 3.3Å; D61-H65 WeakPolarHBondContact O-CB 3.17Å; D61-H65 PolarHBondContact O-N 3.43Å; D61-H65 PolarHBondContact O-ND1 3.19Å; D61-H65 VanDerWaalsContact O-ND1 3.12Å; D61-H65 IonicContact OD1-CE1 3.53Å; D61-H65 PolarHBondContact OD1-CE1 2.91Å; D61-H65 IonicContact OD1-CG 2.77Å; D61-H65 IonicContact OD1-ND1 2.54Å; D61-H65 PolarHBondContact OD1-ND1 3.26Å; D61-H65 IonicContact OD1-NE2 3.54Å; H65-Y112 PolarHBondContact CE1-OH 3.21Å; H65-R127 PolarHBondContact CD2-NH1 2.92Å; H65-R127 PolarHBondContact CD2-NH2 3.33Å; H65-R127 VanDerWaalsContact CD2-NH2 3.28Å; H65-R127 PolarHBondContact NE2-NH1 3.42Å
66D86.1Confident89Confident65 Ų6541.5 Ų41.535%0.34821%0.212SC..  trans-140.872.6-177.1-171.5-6000110.8C62 L68 R69 A70C62-D66 CarbonylContact O-C 3.52Å; C62-D66 WeakPolarHBondContact O-CA 3.2Å; C62-D66 PolarHBondContact O-N 2.89Å; D66-L68 PolarHBondContact O-N 3.33Å; D66-R69 HydrophobicContact CB-CB 4.17Å; D66-R69 PolarHBondContact O-N 3.47Å; D66-R69 WeakPolarHBondContact OD1-CB 3.41Å; D66-R69 PolarHBondContact OD1-N 2.89Å; D66-R69 VanDerWaalsContact OD1-N 3.11Å; D66-R69 WeakPolarHBondContact OD2-CB 3.26Å; D66-R69 WeakPolarHBondContact OD2-CD 3.32Å; D66-A70 PolarHBondContact O-N 3.47Å
67P85Confident89.1Confident8 Ų840.7 Ų40.75%0.05221%0.208CC..Hα-helixtrans-63.7-25.6-175.425-34.4000113T71 M126 I256P67-T71 WeakPolarHBondContact O-CB 3.45Å; P67-T71 PolarHBondContact O-N 3.23Å; P67-T71 PolarHBondContact O-OG1 3.11Å; P67-M126 WeakPolarHBondContact CD-O 3.35Å; P67-M126 WeakPolarHBondContact CG-O 3.34Å; P67-I256 HydrophobicContact CB-CD1 4.42Å; P67-I256 HydrophobicContact CG-CD1 4.3Å
68L84Confident89.1Confident87 Ų8736.7 Ų36.746%0.45518%0.182SC..Hα-helixtrans-69-46.8176.9-67.8176.9000111.1D66 A70 T71 G72 A170D66-L68 PolarHBondContact O-N 3.33Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-T71 PolarHBondContact O-N 3.06Å; L68-G72 PolarHBondContact O-N 3.35Å; L68-G72 VanDerWaalsContact O-N 3.13Å; L68-A170 HydrophobicContact CD2-CB 4.26Å
69R87.8Confident89.2Confident131 Ų13130.5 Ų30.549%0.49416%0.16SC..Hα-helixtrans-64.2-41.6174.6-179.1-179.5168.3-164.1-6.6111.6D66 T71 G72 L73D66-R69 HydrophobicContact CB-CB 4.17Å; D66-R69 PolarHBondContact O-N 3.47Å; D66-R69 WeakPolarHBondContact OD1-CB 3.41Å; D66-R69 PolarHBondContact OD1-N 2.89Å; D66-R69 VanDerWaalsContact OD1-N 3.11Å; D66-R69 WeakPolarHBondContact OD2-CB 3.26Å; D66-R69 WeakPolarHBondContact OD2-CD 3.32Å; R69-T71 VanDerWaalsContact C-N 3.33Å; R69-T71 PolarHBondContact O-N 3.39Å; R69-G72 PolarHBondContact O-N 2.89Å; R69-L73 PolarHBondContact O-N 3.11Å; R69-L73 VanDerWaalsContact O-N 3.16Å
70A89Confident89.2Confident0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-59.2-46.117500000111.2V63 D66 L68 G72 L73 F74 L101V63-A70 HydrophobicContact CB-CB 4.38Å; V63-A70 HydrophobicContact CG2-CB 3.7Å; D66-A70 PolarHBondContact O-N 3.47Å; L68-A70 VanDerWaalsContact C-N 3.35Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.33Å; A70-L73 WeakPolarHBondContact O-CA 3.13Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 3.35Å; A70-F74 WeakPolarHBondContact O-CD2 3.33Å; A70-F74 PolarHBondContact O-N 2.94Å; A70-L101 HydrophobicContact CB-CD1 3.95Å
71T89.4Confident89.3Confident25 Ų2535.2 Ų35.215%0.15319%0.186CC..Hα-helixtrans-55.8-42.5176.7-60.70000112P67 L68 R69 L73 F74 Q75 V99P67-T71 WeakPolarHBondContact O-CB 3.45Å; P67-T71 PolarHBondContact O-N 3.23Å; P67-T71 PolarHBondContact O-OG1 3.11Å; L68-T71 PolarHBondContact O-N 3.06Å; R69-T71 VanDerWaalsContact C-N 3.33Å; R69-T71 PolarHBondContact O-N 3.39Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 2.97Å; T71-F74 PolarHBondContact O-N 3.3Å; T71-Q75 VanDerWaalsContact O-CB 3.32Å; T71-Q75 WeakPolarHBondContact O-CB 3.5Å; T71-Q75 PolarHBondContact O-N 2.95Å; T71-V99 WeakPolarHBondContact CG2-O 3.48Å
72G88.9Confident89.3Confident33 Ų3331 Ų3134%0.3416%0.163SC..Hα-helixtrans-63.8-33.4175.300000114.1L68 R69 A70 S76L68-G72 PolarHBondContact O-N 3.35Å; L68-G72 VanDerWaalsContact O-N 3.13Å; R69-G72 PolarHBondContact O-N 2.89Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.33Å; G72-S76 PolarHBondContact O-N 2.96Å; G72-S76 VanDerWaalsContact O-N 3.11Å
73L91.3Very high89.4Confident13 Ų1334.5 Ų34.57%0.06818%0.177CC..Hα-helixtrans-66.4-49.4173.5-66.6171.7000111I4 L7 K8 R69 A70 T71 Q75 S76 V77I4-L73 HydrophobicContact CG2-CD2 4.07Å; L7-L73 HydrophobicContact CB-CD1 4.2Å; L7-L73 HydrophobicContact CD1-CD1 4.25Å; K8-L73 HydrophobicContact CG-CD2 4.23Å; R69-L73 PolarHBondContact O-N 3.11Å; R69-L73 VanDerWaalsContact O-N 3.16Å; A70-L73 WeakPolarHBondContact O-CA 3.13Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 3.35Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 2.97Å; L73-Q75 PolarHBondContact O-N 3.34Å; L73-S76 PolarHBondContact O-N 3.05Å; L73-V77 WeakPolarHBondContact O-CG2 3.49Å; L73-V77 PolarHBondContact O-N 2.88Å; L73-V77 VanDerWaalsContact O-N 3.09Å
74F92Very high89.4Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-62.1-42.4177.5-82-100.8000111.7V11 Y14 L15 V45 L59 V63 A70 T71 S76 V77 C78 V99 L101V11-F74 HydrophobicContact CG1-CD1 3.63Å; V11-F74 HydrophobicContact CG1-CD2 4.15Å; V11-F74 HydrophobicContact CG1-CE1 3.74Å; V11-F74 HydrophobicContact CG1-CE2 4.26Å; V11-F74 HydrophobicContact CG1-CG 3.84Å; V11-F74 HydrophobicContact CG1-CZ 4.07Å; V11-F74 HydrophobicContact CG2-CD2 4.06Å; V11-F74 HydrophobicContact CG2-CE2 3.82Å; V11-F74 HydrophobicContact CG2-CZ 4.12Å; Y14-F74 HydrophobicContact CD1-CE1 4.25Å; Y14-F74 HydrophobicContact CD1-CZ 4.34Å; L15-F74 HydrophobicContact CD1-CD1 4.4Å; L15-F74 HydrophobicContact CD2-CD1 4.24Å; L15-F74 HydrophobicContact CD2-CE1 4.11Å; L15-F74 HydrophobicContact CG-CD1 4.46Å; L15-F74 HydrophobicContact CG-CE1 4.32Å; V45-F74 HydrophobicContact CG1-CD1 4.01Å; V45-F74 HydrophobicContact CG1-CE1 3.85Å; V45-F74 HydrophobicContact CG2-CD1 4.42Å; L59-F74 HydrophobicContact CD1-CE2 4.41Å; V63-F74 HydrophobicContact CG2-CE2 4.21Å; A70-F74 WeakPolarHBondContact O-CD2 3.33Å; A70-F74 PolarHBondContact O-N 2.94Å; T71-F74 PolarHBondContact O-N 3.3Å; F74-S76 VanDerWaalsContact C-N 3.33Å; F74-S76 PolarHBondContact O-N 3.25Å; F74-V77 PolarHBondContact O-N 3.28Å; F74-V77 VanDerWaalsContact O-N 3.15Å; F74-C78 WeakPolarHBondContact O-CB 3.34Å; F74-C78 PolarHBondContact O-N 3.48Å; F74-C78 PolarHBondContact O-SG 2.98Å; F74-V99 HydrophobicContact CB-CG1 4Å; F74-L101 HydrophobicContact CB-CD2 4.01Å; F74-L101 HydrophobicContact CD1-CD2 3.91Å; F74-L101 HydrophobicContact CD2-CD1 4.24Å; F74-L101 HydrophobicContact CD2-CD2 3.85Å; F74-L101 HydrophobicContact CE1-CD2 4.32Å; F74-L101 HydrophobicContact CE2-CD1 4.48Å; F74-L101 HydrophobicContact CE2-CD2 4.26Å; F74-L101 HydrophobicContact CG-CD2 3.65Å; F74-L101 HydrophobicContact CZ-CD2 4.48Å
75Q92.1Very high89.3Confident52 Ų5244.5 Ų44.524%0.24324%0.235CC..Hα-helixtrans-54.8-47.6173.6177.7-177.14.100112T71 L73 V77 F79 A94 V97 V99T71-Q75 VanDerWaalsContact O-CB 3.32Å; T71-Q75 WeakPolarHBondContact O-CB 3.5Å; T71-Q75 PolarHBondContact O-N 2.95Å; L73-Q75 PolarHBondContact O-N 3.34Å; Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 3.26Å; Q75-F79 WeakPolarHBondContact O-CB 3.31Å; Q75-F79 PolarHBondContact O-N 3.27Å; Q75-A94 PolarHBondContact NE2-O 3.3Å; Q75-V97 HydrophobicContact CG-CB 4.24Å; Q75-V97 HydrophobicContact CG-CG1 4.34Å; Q75-V97 WeakPolarHBondContact CG-O 3.49Å; Q75-V97 PolarHBondContact NE2-O 3.17Å; Q75-V99 HydrophobicContact CB-CG2 4.18Å
76S91.9Very high89.3Confident25 Ų2546.6 Ų46.618%0.17526%0.255CS..Hα-helixtrans-62.8-39178.4-179.60000112.2K8 G72 L73 F74 L80K8-S76 WeakPolarHBondContact CE-OG 3.27Å; K8-S76 PolarHBondContact NZ-OG 3.34Å; G72-S76 PolarHBondContact O-N 2.96Å; G72-S76 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact O-N 3.05Å; F74-S76 VanDerWaalsContact C-N 3.33Å; F74-S76 PolarHBondContact O-N 3.25Å; S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.36Å; S76-L80 PolarHBondContact O-N 3.15Å; S76-L80 VanDerWaalsContact O-N 3.16Å
77V92.5Very high89.2Confident6 Ų645.1 Ų45.14%0.03625%0.247CC..Hα-helixtrans-73.4-43.8-179.4174.90000111K8 V11 L12 L15 L73 F74 Q75 F79 L80 A81K8-V77 HydrophobicContact CB-CG2 3.84Å; K8-V77 HydrophobicContact CG-CG2 4.04Å; K8-V77 WeakPolarHBondContact O-CG2 3.41Å; V11-V77 HydrophobicContact CB-CG2 4.07Å; V11-V77 HydrophobicContact CG1-CB 3.89Å; V11-V77 HydrophobicContact CG1-CG1 4.02Å; V11-V77 HydrophobicContact CG1-CG2 3.87Å; L12-V77 HydrophobicContact CB-CG1 4.04Å; L12-V77 HydrophobicContact CD1-CG1 4.05Å; L15-V77 HydrophobicContact CD1-CG1 4.06Å; L73-V77 WeakPolarHBondContact O-CG2 3.49Å; L73-V77 PolarHBondContact O-N 2.88Å; L73-V77 VanDerWaalsContact O-N 3.09Å; F74-V77 PolarHBondContact O-N 3.28Å; F74-V77 VanDerWaalsContact O-N 3.15Å; Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 3.26Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.33Å; V77-L80 PolarHBondContact O-N 2.97Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.37Å
78C91.2Very high89Confident2 Ų245 Ų451%0.01425%0.246CC..Hα-helixtrans-59.3-43.9174.8-690000111.5L24 F74 L80 A81 I82 V97 V99L24-C78 HydrophobicContact CD1-CB 4.37Å; L24-C78 HydrophobicContact CD2-CB 4.13Å; F74-C78 WeakPolarHBondContact O-CB 3.34Å; F74-C78 PolarHBondContact O-N 3.48Å; F74-C78 PolarHBondContact O-SG 2.98Å; C78-L80 PolarHBondContact O-N 3.38Å; C78-A81 PolarHBondContact O-N 3.37Å; C78-I82 WeakPolarHBondContact O-CD1 3.44Å; C78-I82 WeakPolarHBondContact O-CG1 3.5Å; C78-I82 PolarHBondContact O-N 3.06Å; C78-V97 HydrophobicContact CB-CG1 4.21Å; C78-V99 HydrophobicContact CB-CG2 4.15Å
79F92.4Very high88.8Confident37 Ų3747.3 Ų47.316%0.16226%0.259CS..Hα-helixtrans-60.7-45.2175.6173.9-106.3000112.5Q75 V77 I82 K83 I91 A94 V97Q75-F79 WeakPolarHBondContact O-CB 3.31Å; Q75-F79 PolarHBondContact O-N 3.27Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.33Å; F79-I82 PolarHBondContact O-N 3.46Å; F79-K83 HydrophobicContact CD2-CG 4.46Å; F79-K83 HydrophobicContact CE1-CG 4.34Å; F79-K83 HydrophobicContact CE2-CG 3.95Å; F79-K83 HydrophobicContact CZ-CG 3.89Å; F79-K83 PolarHBondContact O-N 2.97Å; F79-K83 VanDerWaalsContact O-N 3.08Å; F79-I91 HydrophobicContact CD2-CG2 3.96Å; F79-I91 HydrophobicContact CE2-CG2 4.07Å; F79-A94 HydrophobicContact CB-CB 4.14Å; F79-A94 HydrophobicContact CD1-CB 3.79Å; F79-A94 HydrophobicContact CD2-CB 4.27Å; F79-A94 HydrophobicContact CE1-CB 4.25Å; F79-A94 HydrophobicContact CG-CB 3.79Å; F79-V97 HydrophobicContact CB-CG2 4.07Å; F79-V97 HydrophobicContact CD2-CG2 4.04Å
80L90.9Very high88.5Confident90 Ų9042.7 Ų42.747%0.47124%0.243SC..Hα-helixtrans-62.1-45.5176.6-74.2167.9000111.1S76 V77 C78 I82 K83 T84S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.36Å; S76-L80 PolarHBondContact O-N 3.15Å; S76-L80 VanDerWaalsContact O-N 3.16Å; V77-L80 PolarHBondContact O-N 2.97Å; C78-L80 PolarHBondContact O-N 3.38Å; L80-I82 PolarHBondContact O-N 2.99Å; L80-K83 PolarHBondContact O-N 3.44Å; L80-T84 WeakPolarHBondContact O-CB 3.03Å; L80-T84 PolarHBondContact O-N 3.35Å; L80-T84 PolarHBondContact O-OG1 2.83Å
81A90.1Very high88.2Confident11 Ų1142.7 Ų42.79%0.09124%0.243CC..Hα-helixtrans-59.4-45177.400000112L21 L24 V77 C78 K83 T84 L85L21-A81 HydrophobicContact CD2-CB 4.05Å; L24-A81 HydrophobicContact CD2-CB 4.1Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.37Å; C78-A81 PolarHBondContact O-N 3.37Å; A81-K83 VanDerWaalsContact C-N 3.32Å; A81-K83 PolarHBondContact O-N 2.75Å; A81-T84 PolarHBondContact O-N 2.95Å; A81-L85 VanDerWaalsContact O-CB 3.24Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 WeakPolarHBondContact O-CG 3.43Å; A81-L85 PolarHBondContact O-N 2.91Å
82I89.7Confident87.9Confident0 Ų046.6 Ų46.60%026%0.259CS..Hα-helixtrans-58.5-43.6176.3-69.6162.6000111.4L24 F43 C78 F79 L80 S86 L87 I91 V97L24-I82 HydrophobicContact CD1-CD1 4.33Å; L24-I82 HydrophobicContact CD2-CG1 4.22Å; L24-I82 HydrophobicContact CG-CG1 4.42Å; F43-I82 HydrophobicContact CE2-CD1 3.93Å; F43-I82 HydrophobicContact CZ-CD1 3.93Å; C78-I82 WeakPolarHBondContact O-CD1 3.44Å; C78-I82 WeakPolarHBondContact O-CG1 3.5Å; C78-I82 PolarHBondContact O-N 3.06Å; F79-I82 PolarHBondContact O-N 3.46Å; L80-I82 PolarHBondContact O-N 2.99Å; I82-S86 WeakPolarHBondContact O-CA 3.13Å; I82-S86 PolarHBondContact O-N 3.03Å; I82-S86 VanDerWaalsContact O-N 3.13Å; I82-L87 HydrophobicContact CG1-CD1 4.17Å; I82-L87 HydrophobicContact CG2-CB 4.4Å; I82-L87 PolarHBondContact O-N 2.8Å; I82-L87 VanDerWaalsContact O-N 3.07Å; I82-I91 HydrophobicContact CD1-CD1 3.92Å; I82-I91 HydrophobicContact CG2-CD1 4.22Å; I82-V97 HydrophobicContact CD1-CG2 4.34Å
83K90.1Very high87.6Confident82 Ų8246.3 Ų46.336%0.35725%0.25SS..Hα-helixtrans-72.7-40.6179.9-75.2-65179.6-166.20113.4F79 L80 A81 S86 I91F79-K83 HydrophobicContact CD2-CG 4.46Å; F79-K83 HydrophobicContact CE1-CG 4.34Å; F79-K83 HydrophobicContact CE2-CG 3.95Å; F79-K83 HydrophobicContact CZ-CG 3.89Å; F79-K83 PolarHBondContact O-N 2.97Å; F79-K83 VanDerWaalsContact O-N 3.08Å; L80-K83 PolarHBondContact O-N 3.44Å; A81-K83 VanDerWaalsContact C-N 3.32Å; A81-K83 PolarHBondContact O-N 2.75Å; K83-S86 PolarHBondContact O-N 2.98Å; K83-I91 WeakPolarHBondContact CE-O 3.4Å; K83-I91 PolarHBondContact NZ-O 2.96Å
84T88.7Confident87.3Confident113 Ų11347.3 Ų47.369%0.69326%0.261SS*.Hα-helixtrans-71.5-36.6-179.3-59.20000111.9L80 A81 S86L80-T84 WeakPolarHBondContact O-CB 3.03Å; L80-T84 PolarHBondContact O-N 3.35Å; L80-T84 PolarHBondContact O-OG1 2.83Å; A81-T84 PolarHBondContact O-N 2.95Å; T84-S86 VanDerWaalsContact C-N 3.33Å
85L86.6Confident86.8Confident104 Ų10449.5 Ų49.555%0.54528%0.276SS..THydrogen-bonded Turntrans-89.10.6178.8-61.1175.1000113.1A81 L87A81-L85 VanDerWaalsContact O-CB 3.24Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 WeakPolarHBondContact O-CG 3.43Å; A81-L85 PolarHBondContact O-N 2.91Å; L85-L87 HydrophobicContact CB-CD1 4.39Å; L85-L87 HydrophobicContact CB-CD2 3.93Å; L85-L87 HydrophobicContact CB-CG 3.81Å; L85-L87 HydrophobicContact CD1-CD1 4.45Å; L85-L87 PolarHBondContact O-N 3.14Å
86S85.4Confident86.5Confident94 Ų9447 Ų4766%0.65726%0.264SS*.THydrogen-bonded Turntrans48.144.8-177.7-58.90000113.2I82 K83 T84I82-S86 WeakPolarHBondContact O-CA 3.13Å; I82-S86 PolarHBondContact O-N 3.03Å; I82-S86 VanDerWaalsContact O-N 3.13Å; K83-S86 PolarHBondContact O-N 2.98Å; T84-S86 VanDerWaalsContact C-N 3.33Å
87L83.6Confident86.3Confident35 Ų3545.9 Ų45.918%0.18326%0.256CS..  trans-69.5-36.2-174-62.6176.7000112.5A25 C28 N32 I82 L85A25-L87 HydrophobicContact CB-CD1 4.15Å; A25-L87 HydrophobicContact CB-CD2 3.93Å; C28-L87 HydrophobicContact CB-CB 3.96Å; N32-L87 PolarHBondContact ND2-O 3.32Å; I82-L87 HydrophobicContact CG1-CD1 4.17Å; I82-L87 HydrophobicContact CG2-CB 4.4Å; I82-L87 PolarHBondContact O-N 2.8Å; I82-L87 VanDerWaalsContact O-N 3.07Å; L85-L87 HydrophobicContact CB-CD1 4.39Å; L85-L87 HydrophobicContact CB-CD2 3.93Å; L85-L87 HydrophobicContact CB-CG 3.81Å; L85-L87 HydrophobicContact CD1-CD1 4.45Å; L85-L87 PolarHBondContact O-N 3.14Å
88T82.1Confident86Confident5 Ų546.8 Ų46.83%0.03126%0.261CS..  trans-155.3135.9-177.8-61.90000111.4C28 N32 K90C28-T88 PolarHBondContact O-OG1 2.99Å; N32-T88 WeakPolarHBondContact OD1-CB 3.34Å; N32-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N32-T88 PolarHBondContact OD1-OG1 3.25Å; T88-K90 HydrophobicContact CG2-CB 3.73Å; T88-K90 HydrophobicContact CG2-CD 4.32Å; T88-K90 HydrophobicContact CG2-CG 3.92Å
89D80.1Confident85.9Confident135 Ų13546.8 Ų46.872%0.72226%0.261SS*.SBendtrans-82.5-15.3178.4-69.2-35.2000114.1
90K81.6Confident85.6Confident35 Ų3545.9 Ų45.915%0.15226%0.259CS..SBendtrans-75.6-23.3-174.1-57.2-178.4177.5-177.90115.3L31 T34 Q36 T88 H92L31-K90 WeakPolarHBondContact O-CD 3.43Å; L31-K90 WeakPolarHBondContact O-CE 3.47Å; L31-K90 PolarHBondContact O-NZ 2.92Å; T34-K90 PolarHBondContact O-NZ 3.26Å; Q36-K90 PolarHBondContact O-NZ 3.45Å; T88-K90 HydrophobicContact CG2-CB 3.73Å; T88-K90 HydrophobicContact CG2-CD 4.32Å; T88-K90 HydrophobicContact CG2-CG 3.92Å; K90-H92 PolarHBondContact O-CE1 3.48Å; K90-H92 VanDerWaalsContact O-CE1 3.27Å; K90-H92 PolarHBondContact O-N 3.3Å; K90-H92 PolarHBondContact O-ND1 3.05Å
91I82.7Confident85.5Confident0 Ų042 Ų420%024%0.239CC..  trans-87106.5179.8-62.7174.2000107.3Y41 F43 F79 I82 K83 Q96 V97Y41-I91 HydrophobicContact CD2-CD1 4.06Å; Y41-I91 HydrophobicContact CD2-CG1 3.55Å; Y41-I91 HydrophobicContact CE2-CG1 3.79Å; Y41-I91 HydrophobicContact CG-CD1 4.14Å; Y41-I91 HydrophobicContact CG-CG1 4.11Å; F43-I91 HydrophobicContact CE2-CD1 4.28Å; F43-I91 HydrophobicContact CZ-CD1 4.11Å; F79-I91 HydrophobicContact CD2-CG2 3.96Å; F79-I91 HydrophobicContact CE2-CG2 4.07Å; I82-I91 HydrophobicContact CD1-CD1 3.92Å; I82-I91 HydrophobicContact CG2-CD1 4.22Å; K83-I91 WeakPolarHBondContact CE-O 3.4Å; K83-I91 PolarHBondContact NZ-O 2.96Å; I91-Q96 HydrophobicContact CG2-CB 4.42Å; I91-V97 HydrophobicContact CG2-CG2 3.68Å
92H81.3Confident85.5Confident106 Ų10642.1 Ų42.149%0.49124%0.238SC..  trans-92.8-38.9-176.6-58.493.4000112.2K90 F163K90-H92 PolarHBondContact O-CE1 3.48Å; K90-H92 VanDerWaalsContact O-CE1 3.27Å; K90-H92 PolarHBondContact O-N 3.3Å; K90-H92 PolarHBondContact O-ND1 3.05Å; H92-F163 AromaticContact ND1-CE2 3.98Å
93T84.4Confident85.4Confident27 Ų2742.4 Ų42.417%0.16624%0.239CC..SBendtrans-127.3155.3-174.564.20000111.9S95 Q96 F163T93-S95 PolarHBondContact O-N 3.47Å; T93-Q96 VanDerWaalsContact N-OE1 3.11Å; T93-Q96 WeakPolarHBondContact O-CB 3.39Å; T93-Q96 PolarHBondContact O-N 3.48Å; T93-Q96 VanDerWaalsContact O-N 3.15Å; T93-F163 HydrophobicContact CG2-CB 4.42Å; T93-F163 PolarHBondContact OG1-O 2.92Å
94A83.8Confident85.2Confident35 Ų3541.2 Ų41.229%0.28924%0.239SC..G310 helixtrans-59.9-30175.500000112.4Q75 F79 Q96 V97Q75-A94 PolarHBondContact NE2-O 3.3Å; F79-A94 HydrophobicContact CB-CB 4.14Å; F79-A94 HydrophobicContact CD1-CB 3.79Å; F79-A94 HydrophobicContact CD2-CB 4.27Å; F79-A94 HydrophobicContact CE1-CB 4.25Å; F79-A94 HydrophobicContact CG-CB 3.79Å; A94-Q96 PolarHBondContact O-N 3.31Å; A94-V97 WeakPolarHBondContact O-CB 3.12Å; A94-V97 PolarHBondContact O-N 3.06Å
95S82.4Confident84.9Confident45 Ų4539.2 Ų39.232%0.31522%0.222SC..G310 helixtrans-63.2-20.2178.1-51.50000113.9T93T93-S95 PolarHBondContact O-N 3.47Å
96Q84.6Confident84.9Confident0 Ų035 Ų350%020%0.2CC..G310 helixtrans-80.3-17.2173.9-67.9178.1-84.600112.7V40 Y41 I91 T93 A94 F163 I166V40-Q96 CarbonylContact C-O 3.39Å; V40-Q96 WeakPolarHBondContact CA-O 3.14Å; Y41-Q96 HydrophobicContact CD2-CB 4.32Å; Y41-Q96 PolarHBondContact N-O 2.8Å; I91-Q96 HydrophobicContact CG2-CB 4.42Å; T93-Q96 VanDerWaalsContact N-OE1 3.11Å; T93-Q96 WeakPolarHBondContact O-CB 3.39Å; T93-Q96 PolarHBondContact O-N 3.48Å; T93-Q96 VanDerWaalsContact O-N 3.15Å; A94-Q96 PolarHBondContact O-N 3.31Å; Q96-F163 HydrophobicContact CG-CB 3.86Å; Q96-F163 HydrophobicContact CG-CD1 4.18Å; Q96-F163 HydrophobicContact CG-CG 4.01Å; Q96-I166 HydrophobicContact CB-CD1 4.21Å; Q96-I166 HydrophobicContact CG-CD1 3.38Å
97V87.5Confident84.9Confident1 Ų131 Ų311%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-89.7118.9179.5-179.20000108.2F43 Q75 C78 F79 I82 I91 A94 V99F43-V97 HydrophobicContact CD2-CG1 3.76Å; F43-V97 HydrophobicContact CE2-CG1 3.97Å; Q75-V97 HydrophobicContact CG-CB 4.24Å; Q75-V97 HydrophobicContact CG-CG1 4.34Å; Q75-V97 WeakPolarHBondContact CG-O 3.49Å; Q75-V97 PolarHBondContact NE2-O 3.17Å; C78-V97 HydrophobicContact CB-CG1 4.21Å; F79-V97 HydrophobicContact CB-CG2 4.07Å; F79-V97 HydrophobicContact CD2-CG2 4.04Å; I82-V97 HydrophobicContact CD1-CG2 4.34Å; I91-V97 HydrophobicContact CG2-CG2 3.68Å; A94-V97 WeakPolarHBondContact O-CB 3.12Å; A94-V97 PolarHBondContact O-N 3.06Å; V97-V99 HydrophobicContact CG1-CG2 4.09Å
98N86.8Confident84.9Confident25 Ų2535.3 Ų35.313%0.13420%0.201CC..EExtended strand (participates in β ladder)trans-109.1119.3171.3-17928000109.4V40 Y41 R42 F43 V168V40-N98 HydrophobicContact CG1-CB 3.62Å; Y41-N98 PolarHBondContact O-N 3.04Å; R42-N98 CarbonylContact C-O 3.54Å; R42-N98 VanDerWaalsContact CA-O 3.3Å; R42-N98 WeakPolarHBondContact CA-O 3.44Å; F43-N98 PolarHBondContact N-O 3.16Å; N98-V168 HydrophobicContact CB-CG1 4.12Å; N98-V168 VanDerWaalsContact ND2-CG1 3.34Å; N98-V168 WeakPolarHBondContact ND2-CG1 3.48Å
99V88.3Confident85Confident2 Ų240.7 Ų40.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-103.9130.8176.8178.90000109.2F43 V45 T71 F74 Q75 C78 V97 L101F43-V99 WeakPolarHBondContact O-CA 3.44Å; V45-V99 HydrophobicContact CB-CG1 4.33Å; V45-V99 HydrophobicContact CG2-CG1 3.74Å; T71-V99 WeakPolarHBondContact CG2-O 3.48Å; F74-V99 HydrophobicContact CB-CG1 4Å; Q75-V99 HydrophobicContact CB-CG2 4.18Å; C78-V99 HydrophobicContact CB-CG2 4.15Å; V97-V99 HydrophobicContact CG1-CG2 4.09Å; V99-L101 HydrophobicContact CG1-CD2 3.95Å
100S87Confident85Confident18 Ų1839.1 Ų39.113%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-108.2121.5167.946.10000109.5R42 F43 R44 V45R42-S100 PolarHBondContact NE-OG 2.97Å; F43-S100 PolarHBondContact O-N 3.09Å; F43-S100 PolarHBondContact O-OG 3.2Å; R44-S100 WeakPolarHBondContact CG-OG 3.48Å; V45-S100 PolarHBondContact N-O 3.35Å
101L89.3Confident85.1Confident8 Ų843.4 Ų43.44%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-85.8115.6175.7-56.1-177.6000108.6V45 V47 A70 F74 V99 N273V45-L101 HydrophobicContact CB-CD2 4.17Å; V47-L101 HydrophobicContact CG2-CB 4.16Å; V47-L101 HydrophobicContact CG2-CD2 3.98Å; A70-L101 HydrophobicContact CB-CD1 3.95Å; F74-L101 HydrophobicContact CB-CD2 4.01Å; F74-L101 HydrophobicContact CD1-CD2 3.91Å; F74-L101 HydrophobicContact CD2-CD1 4.24Å; F74-L101 HydrophobicContact CD2-CD2 3.85Å; F74-L101 HydrophobicContact CE1-CD2 4.32Å; F74-L101 HydrophobicContact CE2-CD1 4.48Å; F74-L101 HydrophobicContact CE2-CD2 4.26Å; F74-L101 HydrophobicContact CG-CD2 3.65Å; F74-L101 HydrophobicContact CZ-CD2 4.48Å; V99-L101 HydrophobicContact CG1-CD2 3.95Å; L101-N273 PolarHBondContact O-ND2 3.14Å
102N89.3Confident85.2Confident15 Ų1544.2 Ų44.28%0.0825%0.245CC..EExtended strand (participates in β ladder)trans-106.1111.1-178.3-81.155000109.9R44 V45 L46 V47 N273R44-N102 PolarHBondContact NH2-ND2 3.34Å; V45-N102 PolarHBondContact O-N 2.65Å; L46-N102 WeakPolarHBondContact CA-O 3.28Å; L46-N102 HydrophobicContact CD2-CB 3.91Å; V47-N102 PolarHBondContact N-O 3.06Å; N102-N273 VanDerWaalsContact CA-OD1 3.32Å; N102-N273 WeakPolarHBondContact CA-OD1 3.47Å; N102-N273 PolarHBondContact ND2-O 3.25Å
103F89Confident85.4Confident5 Ų542.5 Ų42.52%0.02224%0.243CC..EExtended strand (participates in β ladder)trans-75.1124.8-178-63.2-80.3000111.2V47 P49 V63 L106 P128 V254 N273 S274V47-F103 WeakPolarHBondContact O-CA 3.43Å; P49-F103 HydrophobicContact CG-CD1 3.9Å; P49-F103 HydrophobicContact CG-CE1 4.35Å; V63-F103 HydrophobicContact CG1-CE1 3.51Å; V63-F103 HydrophobicContact CG1-CZ 4.08Å; F103-L106 HydrophobicContact CD1-CD2 4.26Å; F103-L106 HydrophobicContact CG-CD2 4.43Å; F103-P128 HydrophobicContact CD2-CB 4.2Å; F103-P128 HydrophobicContact CE1-CG 4.28Å; F103-P128 HydrophobicContact CE2-CB 3.96Å; F103-P128 HydrophobicContact CE2-CG 4.13Å; F103-P128 HydrophobicContact CZ-CB 4.29Å; F103-P128 HydrophobicContact CZ-CG 3.94Å; F103-V254 HydrophobicContact CB-CG1 4.15Å; F103-N273 WeakPolarHBondContact CD2-OD1 3.44Å; F103-N273 PolarHBondContact N-OD1 2.94Å; F103-S274 PolarHBondContact O-OG 3.22Å; F103-S274 VanDerWaalsContact O-OG 3.11Å
104T84.6Confident85.5Confident58 Ų5842 Ų4236%0.35624%0.239SC..SBendtrans-78.6-40.9175.256.80000111.9L46 V47L46-T104 HydrophobicContact CB-CG2 4.44Å; V47-T104 PolarHBondContact O-N 3.38Å; V47-T104 PolarHBondContact O-OG1 2.87Å
105H82.5Confident85.5Confident71 Ų7143.6 Ų43.633%0.32924%0.243SC..  trans-149.8162.5172.966.1-93.8000110.6N48 P49 S50N48-H105 PolarHBondContact ND2-CE1 2.96Å; N48-H105 VanDerWaalsContact ND2-CE1 3.35Å; N48-H105 PolarHBondContact OD1-CE1 3.32Å; N48-H105 PolarHBondContact OD1-NE2 2.95Å; P49-H105 WeakPolarHBondContact CD-O 3.42Å; P49-H105 WeakPolarHBondContact CG-O 3.25Å; S50-H105 PolarHBondContact OG-NE2 2.53Å
106L87Confident85.6Confident15 Ų1542.2 Ų42.28%0.07923%0.232CC..  trans-111.5148.4167.6-67.1179.4000109.6L64 F103 P128 V254L64-L106 HydrophobicContact CD2-CD2 4.03Å; F103-L106 HydrophobicContact CD1-CD2 4.26Å; F103-L106 HydrophobicContact CG-CD2 4.43Å; L106-P128 HydrophobicContact CD1-CB 4.22Å; L106-P128 HydrophobicContact CD2-CB 4.08Å; L106-P128 HydrophobicContact CD2-CG 3.89Å; L106-V254 HydrophobicContact CD1-CG1 3.7Å; L106-V254 HydrophobicContact CD1-CG2 4.34Å; L106-V254 HydrophobicContact CD2-CG1 4.45Å; L106-V254 HydrophobicContact CG-CG1 3.99Å; L106-V254 HydrophobicContact CG-CG2 4.36Å
107P85.6Confident85.3Confident11 Ų1145 Ų457%0.07125%0.251CS..  trans-55.7140.8171.8-24.334.7000110.9L64 F109 Y112L64-P107 HydrophobicContact CD1-CG 4.12Å; P107-F109 HydrophobicContact CB-CD2 3.44Å; P107-F109 VanDerWaalsContact CB-CD2 3.44Å; P107-F109 HydrophobicContact CB-CE2 3.56Å; P107-F109 HydrophobicContact CB-CG 4.48Å; P107-F109 PolarHBondContact O-N 3.25Å; P107-Y112 HydrophobicContact CB-CD2 4.27Å; P107-Y112 HydrophobicContact CG-CD2 4.46Å; P107-Y112 HydrophobicContact CG-CE2 4.45Å
108P83.1Confident84.6Confident124 Ų12446.6 Ų46.681%0.80527%0.268SS*.SBendtrans-78.150.3-175.235-37.8000112
109F83.9Confident83.5Confident118 Ų11854.4 Ų54.452%0.51830%0.301SS..  trans-100148.3174.2-56-64.8000110.8P107 E111 Y112 T113P107-F109 HydrophobicContact CB-CD2 3.44Å; P107-F109 VanDerWaalsContact CB-CD2 3.44Å; P107-F109 HydrophobicContact CB-CE2 3.56Å; P107-F109 HydrophobicContact CB-CG 4.48Å; P107-F109 PolarHBondContact O-N 3.25Å; F109-E111 VanDerWaalsContact CB-OE2 3.22Å; F109-E111 WeakPolarHBondContact CB-OE2 3.48Å; F109-E111 PolarHBondContact O-N 2.86Å; F109-E111 VanDerWaalsContact O-N 3.17Å; F109-Y112 HydrophobicContact CB-CD2 4.08Å; F109-Y112 HydrophobicContact CD2-CD2 4.17Å; F109-Y112 HydrophobicContact CD2-CE2 4.15Å; F109-Y112 PolarHBondContact O-N 3.32Å; F109-Y112 VanDerWaalsContact O-N 3.07Å; F109-T113 PolarHBondContact O-N 3.36Å; F109-T113 PolarHBondContact O-OG1 2.98Å; F109-T113 VanDerWaalsContact O-OG1 3.13Å
110P81.4Confident82.1Confident103 Ų10357.9 Ų57.967%0.66932%0.317SS*.G310 helixtrans-55.3-31.7178.3-2635.2000113.5Y112 T113P110-Y112 PolarHBondContact O-N 3.27Å; P110-T113 PolarHBondContact O-N 2.92Å; P110-T113 VanDerWaalsContact O-N 3.09Å
111E81.9Confident80.7Confident125 Ų12564.4 Ų64.458%0.58435%0.345SS*.G310 helixtrans-65.9-22.8-179.6-60.983.2175.500113.3F109F109-E111 VanDerWaalsContact CB-OE2 3.22Å; F109-E111 WeakPolarHBondContact CB-OE2 3.48Å; F109-E111 PolarHBondContact O-N 2.86Å; F109-E111 VanDerWaalsContact O-N 3.17Å
112Y85.6Confident79Confident16 Ų1667.2 Ų67.26%0.06336%0.362CS..G310 helixtrans-104.36.7177.1-60.2-67.4000112.3L64 H65 P107 F109 P110 P128 V129 S130L64-Y112 HydrophobicContact CB-CE1 4.04Å; L64-Y112 WeakPolarHBondContact CB-OH 3.32Å; L64-Y112 HydrophobicContact CD2-CE1 4.05Å; L64-Y112 HydrophobicContact CG-CE1 4.48Å; H65-Y112 PolarHBondContact CE1-OH 3.21Å; P107-Y112 HydrophobicContact CB-CD2 4.27Å; P107-Y112 HydrophobicContact CG-CD2 4.46Å; P107-Y112 HydrophobicContact CG-CE2 4.45Å; F109-Y112 HydrophobicContact CB-CD2 4.08Å; F109-Y112 HydrophobicContact CD2-CD2 4.17Å; F109-Y112 HydrophobicContact CD2-CE2 4.15Å; F109-Y112 PolarHBondContact O-N 3.32Å; F109-Y112 VanDerWaalsContact O-N 3.07Å; P110-Y112 PolarHBondContact O-N 3.27Å; Y112-P128 WeakPolarHBondContact CD1-O 3.49Å; Y112-V129 CarbonylContact O-C 3.54Å; Y112-V129 WeakPolarHBondContact O-CA 3.49Å; Y112-S130 PolarHBondContact O-N 3.13Å
113T85.7Confident77.1Confident71 Ų7176.3 Ų76.344%0.43640%0.397SS..BIsolated β-bridgetrans-117.5123.1-179.8-51.50000109.8F109 P110 S130F109-T113 PolarHBondContact O-N 3.36Å; F109-T113 PolarHBondContact O-OG1 2.98Å; F109-T113 VanDerWaalsContact O-OG1 3.13Å; P110-T113 PolarHBondContact O-N 2.92Å; P110-T113 VanDerWaalsContact O-N 3.09Å; T113-S130 WeakPolarHBondContact CA-O 3.5Å
114L85.8Confident75.6Confident15 Ų1578.6 Ų78.68%0.07942%0.422CS..  trans-108.4101.5178.8-172.491.2000109.9L116 H120 V129 S130 M131 W268L114-L116 HydrophobicContact CD2-CD2 3.98Å; L114-L116 PolarHBondContact O-N 3.45Å; L114-H120 HydrophobicContact CD1-CB 3.89Å; L114-H120 WeakPolarHBondContact CD1-CD2 3.32Å; L114-V129 HydrophobicContact CB-CB 4.13Å; L114-V129 HydrophobicContact CB-CG2 4.12Å; L114-S130 PolarHBondContact N-O 3.43Å; L114-M131 HydrophobicContact CB-CB 4.25Å; L114-M131 HydrophobicContact CB-CE 4.5Å; L114-M131 HydrophobicContact CD2-CB 4.42Å; L114-M131 HydrophobicContact CD2-CE 3.76Å; L114-M131 HydrophobicContact CD2-SD 4.13Å; L114-M131 WeakPolarHBondContact O-CB 3.18Å; L114-W268 HydrophobicContact CD2-CH2 3.43Å; L114-W268 VanDerWaalsContact CD2-CH2 3.43Å; L114-W268 HydrophobicContact CD2-CZ2 3.94Å; L114-W268 HydrophobicContact CD2-CZ3 4.49Å
115D84.3Confident74.2Confident70 Ų7079.4 Ų79.437%0.37443%0.429SS..  trans-74.6115.4169.3179-2.2000110.6S117 G118 H120 H213D115-S117 PolarHBondContact O-N 3.18Å; D115-S117 WeakPolarHBondContact OD1-CB 3.35Å; D115-S117 PolarHBondContact OD1-N 2.99Å; D115-S117 PolarHBondContact OD1-OG 3.14Å; D115-S117 PolarHBondContact OD2-OG 2.98Å; D115-G118 PolarHBondContact O-N 3.07Å; D115-G118 VanDerWaalsContact O-N 3.14Å; D115-H120 PolarHBondContact N-NE2 2.86Å; D115-H120 PolarHBondContact O-CD2 2.88Å; D115-H120 VanDerWaalsContact O-CD2 3.29Å; D115-H120 PolarHBondContact O-NE2 3.44Å; D115-H213 IonicContact OD1-CD2 2.65Å; D115-H213 PolarHBondContact OD1-CD2 3.08Å; D115-H213 VanDerWaalsContact OD1-CD2 3.27Å; D115-H213 IonicContact OD1-NE2 3.7Å; D115-H213 PolarHBondContact OD1-NE2 3.08Å
116L84.1Confident73.7Confident16 Ų1679.3 Ų79.38%0.08443%0.429CS..THydrogen-bonded Turntrans-67.3-14.1-178.6-55.3178.2000113.8L114 M131 E132 L211 H213 V233L114-L116 HydrophobicContact CD2-CD2 3.98Å; L114-L116 PolarHBondContact O-N 3.45Å; L116-M131 HydrophobicContact CD2-CB 4.15Å; L116-M131 HydrophobicContact CD2-SD 4.21Å; L116-M131 HydrophobicContact CG-CB 4.49Å; L116-E132 VanDerWaalsContact CD1-O 3.32Å; L116-E132 WeakPolarHBondContact CD1-O 3.33Å; L116-L211 HydrophobicContact CD1-CD2 3.83Å; L116-L211 HydrophobicContact CD1-CG 3.99Å; L116-H213 HydrophobicContact CB-CB 3.87Å; L116-V233 HydrophobicContact CD2-CB 4.19Å; L116-V233 HydrophobicContact CD2-CG2 3.61Å
117S78.9Confident73.4Confident59 Ų5982.2 Ų82.241%0.41344%0.439SS..THydrogen-bonded Turntrans-83.1-22.6174.9770000113D115D115-S117 PolarHBondContact O-N 3.18Å; D115-S117 WeakPolarHBondContact OD1-CB 3.35Å; D115-S117 PolarHBondContact OD1-N 2.99Å; D115-S117 PolarHBondContact OD1-OG 3.14Å; D115-S117 PolarHBondContact OD2-OG 2.98Å
118G73.1Confident73.5Confident34 Ų3481.7 Ų81.735%0.35144%0.435SS..SBendtrans-87.5146.5-178.500000113.4D115 H120D115-G118 PolarHBondContact O-N 3.07Å; D115-G118 VanDerWaalsContact O-N 3.14Å; G118-H120 PolarHBondContact O-CD2 3Å; G118-H120 PolarHBondContact O-N 3.3Å
119F62.7Low73.8Confident189 Ų18976.4 Ų76.483%0.82940%0.401SS*.  trans-79.5102.5167.5-171.9-93.5000109.2Q121F119-Q121 PolarHBondContact O-N 3.28Å
120H60.1Low74.1Confident74 Ų7471 Ų7134%0.34338%0.378SS..  trans-80.9119.7177.4-69.3-73000110.7L114 D115 G118 V122L114-H120 HydrophobicContact CD1-CB 3.89Å; L114-H120 WeakPolarHBondContact CD1-CD2 3.32Å; D115-H120 PolarHBondContact N-NE2 2.86Å; D115-H120 PolarHBondContact O-CD2 2.88Å; D115-H120 VanDerWaalsContact O-CD2 3.29Å; D115-H120 PolarHBondContact O-NE2 3.44Å; G118-H120 PolarHBondContact O-CD2 3Å; G118-H120 PolarHBondContact O-N 3.3Å; H120-V122 VanDerWaalsContact C-N 3.31Å; H120-V122 HydrophobicContact CB-CG2 4.39Å; H120-V122 PolarHBondContact O-N 3.38Å
121Q56Low74.5Confident155 Ų15566.2 Ų66.272%0.72435%0.347SS*.  trans-70.291.2163.3-87.7-173.615.300107.9F119 Y123F119-Q121 PolarHBondContact O-N 3.28Å; Q121-Y123 HydrophobicContact CB-CD2 3.93Å; Q121-Y123 HydrophobicContact CB-CE2 4.48Å; Q121-Y123 HydrophobicContact CG-CD2 4.22Å; Q121-Y123 HydrophobicContact CG-CE2 4.31Å; Q121-Y123 PolarHBondContact O-N 3Å
122V55.1Low75Confident67 Ų6763.5 Ų63.541%0.40633%0.334SS..  trans-74.166.3174.3-1690000108.9H120H120-V122 VanDerWaalsContact C-N 3.31Å; H120-V122 HydrophobicContact CB-CG2 4.39Å; H120-V122 PolarHBondContact O-N 3.38Å
123Y48.4Very low75.3Confident207 Ų20762.7 Ų62.781%0.81233%0.331SS*.  trans-103.887.6169.8-76.6-80.1000108Q121Q121-Y123 HydrophobicContact CB-CD2 3.93Å; Q121-Y123 HydrophobicContact CB-CE2 4.48Å; Q121-Y123 HydrophobicContact CG-CD2 4.22Å; Q121-Y123 HydrophobicContact CG-CE2 4.31Å; Q121-Y123 PolarHBondContact O-N 3Å
124G57.1Low75.6Confident53 Ų5359.4 Ų59.455%0.54631%0.311SS..SBendtrans172.3168.1176.300000113.4
125P56.1Low76Confident75 Ų7558.7 Ų58.749%0.48731%0.307SS..SBendtrans-57.3156.9173.924.9-32.1000111R127P125-R127 HydrophobicContact CG-CG 4.24Å; P125-R127 WeakPolarHBondContact O-CG 3.22Å; P125-R127 PolarHBondContact O-N 3.01Å
126M71.1Confident76.5Confident69 Ų6956.8 Ų56.834%0.3430%0.297SS..  trans-65.276.1-179.9-67.7-176.416700111.5P67 I256 V258P67-M126 WeakPolarHBondContact CD-O 3.35Å; P67-M126 WeakPolarHBondContact CG-O 3.34Å; M126-I256 HydrophobicContact CB-CG2 3.84Å; M126-V258 HydrophobicContact CE-CG1 4.47Å
127R82Confident76.9Confident75 Ų7556 Ų5628%0.28329%0.293SS..  trans-85146.4179.4-61.5-176.4-164.8-169.22110.7H65 P125 P257H65-R127 PolarHBondContact CD2-NH1 2.92Å; H65-R127 PolarHBondContact CD2-NH2 3.33Å; H65-R127 VanDerWaalsContact CD2-NH2 3.28Å; H65-R127 PolarHBondContact NE2-NH1 3.42Å; P125-R127 HydrophobicContact CG-CG 4.24Å; P125-R127 WeakPolarHBondContact O-CG 3.22Å; P125-R127 PolarHBondContact O-N 3.01Å; R127-P257 WeakPolarHBondContact O-CD 3.02Å
128P87.7Confident77.5Confident0 Ų054 Ų540%028%0.277CS..  trans-65.6137174.130.3-33.9000110.3L64 F103 L106 Y112 V254 G255 I256L64-P128 HydrophobicContact CD2-CG 4.46Å; L64-P128 VanDerWaalsContact O-CD 3.26Å; L64-P128 WeakPolarHBondContact O-CD 3.2Å; F103-P128 HydrophobicContact CD2-CB 4.2Å; F103-P128 HydrophobicContact CE1-CG 4.28Å; F103-P128 HydrophobicContact CE2-CB 3.96Å; F103-P128 HydrophobicContact CE2-CG 4.13Å; F103-P128 HydrophobicContact CZ-CB 4.29Å; F103-P128 HydrophobicContact CZ-CG 3.94Å; L106-P128 HydrophobicContact CD1-CB 4.22Å; L106-P128 HydrophobicContact CD2-CB 4.08Å; L106-P128 HydrophobicContact CD2-CG 3.89Å; Y112-P128 WeakPolarHBondContact CD1-O 3.49Å; P128-V254 HydrophobicContact CB-CG1 4.41Å; P128-G255 CarbonylContact C-O 3.58Å; P128-G255 WeakPolarHBondContact CA-O 3.3Å; P128-I256 HydrophobicContact CB-CG1 4.39Å
129V89Confident78.3Confident14 Ų1452.5 Ų52.59%0.08526%0.261CS..EExtended strand (participates in β ladder)trans-128.3146.9177.6-64.80000110.4Y112 L114 M131 V254 G255Y112-V129 CarbonylContact O-C 3.54Å; Y112-V129 WeakPolarHBondContact O-CA 3.49Å; L114-V129 HydrophobicContact CB-CB 4.13Å; L114-V129 HydrophobicContact CB-CG2 4.12Å; V129-M131 HydrophobicContact CG2-CE 3.61Å; V129-V254 CarbonylContact O-C 3.53Å; V129-V254 WeakPolarHBondContact O-CA 3.31Å; V129-G255 WeakPolarHBondContact CG2-O 3.46Å; V129-G255 PolarHBondContact N-O 3.27Å; V129-G255 PolarHBondContact O-N 2.62Å
130S90.5Very high79.5Confident5 Ų545.1 Ų45.14%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-98.6131.7172-170.60000109.5Y112 T113 L114 R252 V253Y112-S130 PolarHBondContact O-N 3.13Å; T113-S130 WeakPolarHBondContact CA-O 3.5Å; L114-S130 PolarHBondContact N-O 3.43Å; S130-R252 PolarHBondContact OG-NE 3.35Å; S130-V253 CarbonylContact C-O 3.59Å; S130-V253 VanDerWaalsContact CA-O 3.31Å; S130-V253 WeakPolarHBondContact CA-O 3.42Å
131M90.3Very high80.7Confident2 Ų243.3 Ų43.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-133.3153.3174.362.3-159.275.500110.8L114 L116 V129 L211 L235 R252 V253 V270L114-M131 HydrophobicContact CB-CB 4.25Å; L114-M131 HydrophobicContact CB-CE 4.5Å; L114-M131 HydrophobicContact CD2-CB 4.42Å; L114-M131 HydrophobicContact CD2-CE 3.76Å; L114-M131 HydrophobicContact CD2-SD 4.13Å; L114-M131 WeakPolarHBondContact O-CB 3.18Å; L116-M131 HydrophobicContact CD2-CB 4.15Å; L116-M131 HydrophobicContact CD2-SD 4.21Å; L116-M131 HydrophobicContact CG-CB 4.49Å; V129-M131 HydrophobicContact CG2-CE 3.61Å; M131-L211 HydrophobicContact CG-CD2 3.88Å; M131-L211 HydrophobicContact SD-CD2 4.31Å; M131-L235 HydrophobicContact SD-CD2 3.81Å; M131-R252 WeakPolarHBondContact O-CA 3.42Å; M131-V253 HydrophobicContact CG-CB 4.15Å; M131-V253 PolarHBondContact N-O 3.48Å; M131-V253 PolarHBondContact O-N 3.48Å; M131-V270 HydrophobicContact CE-CB 4.26Å; M131-V270 HydrophobicContact CE-CG1 3.69Å; M131-V270 HydrophobicContact CE-CG2 3.85Å; M131-V270 HydrophobicContact SD-CG2 4.3Å
132E91.5Very high82.1Confident67 Ų6737.1 Ų37.131%0.31319%0.194SC..EExtended strand (participates in β ladder)trans-123.3137.2178-65.4176175.100108.8L116 Y251 R252 W278L116-E132 VanDerWaalsContact CD1-O 3.32Å; L116-E132 WeakPolarHBondContact CD1-O 3.33Å; E132-Y251 WeakPolarHBondContact CA-O 3.34Å; E132-R252 HydrophobicContact CG-CB 4.15Å; E132-R252 HydrophobicContact CG-CG 3.96Å; E132-R252 IonicContact OE1-NE 3.68Å; E132-W278 HydrophobicContact CB-CE3 4.43Å; E132-W278 HydrophobicContact CG-CD2 4.48Å; E132-W278 VanDerWaalsContact OE2-CZ2 3.32Å; E132-W278 WeakPolarHBondContact OE2-CZ2 3.49Å
133G92.1Very high83.5Confident0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-177.5176.1179.800000114.8L211 I212 L250 Y251G133-L211 VanDerWaalsContact C-CD1 3.4Å; G133-L211 WeakPolarHBondContact O-CD1 3.32Å; G133-I212 CarbonylContact C-O 3.47Å; G133-I212 WeakPolarHBondContact CA-O 3.26Å; G133-L250 WeakPolarHBondContact O-CA 3.34Å; G133-L250 WeakPolarHBondContact O-CD2 3.31Å; G133-Y251 PolarHBondContact N-O 2.97Å; G133-Y251 VanDerWaalsContact N-O 3.1Å; G133-Y251 PolarHBondContact O-N 2.99Å
134A92.5Very high85.2Confident1 Ų130.1 Ų30.11%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-99.7137.4178.600000111.1I136 L211 I212 L217 L250A134-I136 PolarHBondContact O-N 3.48Å; A134-L211 WeakPolarHBondContact O-CA 3.46Å; A134-I212 HydrophobicContact CB-CG2 4.12Å; A134-I212 PolarHBondContact N-O 3.04Å; A134-I212 PolarHBondContact O-N 3.46Å; A134-L217 HydrophobicContact CB-CD1 3.92Å; A134-L217 HydrophobicContact CB-CG 4.42Å; A134-L250 HydrophobicContact CB-CD2 3.61Å
135V94.4Very high86.5Confident0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-78.5114.9175.9178.10000109.6I138 V209 E210 L211 M245 T246 G248 R249 Y251V135-I138 HydrophobicContact CG1-CG2 3.7Å; V135-V209 HydrophobicContact CB-CG1 4.32Å; V135-V209 HydrophobicContact CG1-CG1 3.58Å; V135-V209 HydrophobicContact CG2-CG1 3.89Å; V135-E210 WeakPolarHBondContact CA-O 3.15Å; V135-L211 HydrophobicContact CG2-CD1 4.13Å; V135-M245 HydrophobicContact CG2-CB 4.32Å; V135-M245 HydrophobicContact CG2-CE 3.58Å; V135-T246 WeakPolarHBondContact CB-O 3.33Å; V135-G248 PolarHBondContact O-N 3.19Å; V135-R249 PolarHBondContact N-O 3.08Å; V135-Y251 HydrophobicContact CG2-CD2 3.68Å; V135-Y251 HydrophobicContact CG2-CE2 3.96Å
136I93.5Very high87.7Confident31 Ų3125.1 Ų25.116%0.15912%0.119CC..EExtended strand (participates in β ladder)trans-104.9-20.3-179.463.7165000113.4A134 E210 I212 A402 L407A134-I136 PolarHBondContact O-N 3.48Å; I136-E210 HydrophobicContact CD1-CB 4.35Å; I136-E210 HydrophobicContact CG1-CB 3.78Å; I136-E210 PolarHBondContact N-O 2.87Å; I136-I212 HydrophobicContact CD1-CB 4.34Å; I136-I212 HydrophobicContact CD1-CD1 4.44Å; I136-I212 HydrophobicContact CG2-CB 4Å; I136-I212 HydrophobicContact CG2-CG2 3.36Å; I136-A402 WeakPolarHBondContact O-CB 3.45Å; I136-A402 PolarHBondContact O-N 3.22Å; I136-L407 HydrophobicContact CB-CD2 4.33Å; I136-L407 HydrophobicContact CG2-CD2 3.87Å
137A92.8Very high88.3Confident0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-153.7151.4177.100000110.8V209 E210 N399 I400A137-V209 WeakPolarHBondContact O-CA 3.38Å; A137-E210 HydrophobicContact CB-CB 3.96Å; A137-E210 HydrophobicContact CB-CG 4.15Å; A137-E210 PolarHBondContact O-N 3.32Å; A137-N399 WeakPolarHBondContact CB-OD1 3.33Å; A137-I400 CarbonylContact C-O 3.56Å; A137-I400 WeakPolarHBondContact CA-O 3.26Å; A137-I400 WeakPolarHBondContact CB-O 3.36Å
138I92.4Very high88.5Confident15 Ų1518.3 Ų18.38%0.0779%0.089CC..EExtended strand (participates in β ladder)trans-138.1148.2172.566.3177.4000110.1V135 L208 V209 I247 N399 I400 F457V135-I138 HydrophobicContact CG1-CG2 3.7Å; I138-L208 CarbonylContact C-O 3.6Å; I138-L208 WeakPolarHBondContact CA-O 3.33Å; I138-V209 HydrophobicContact CG2-CB 4.44Å; I138-V209 HydrophobicContact CG2-CG1 4.14Å; I138-V209 HydrophobicContact CG2-CG2 3.92Å; I138-I247 HydrophobicContact CB-CG1 4.48Å; I138-I247 HydrophobicContact CD1-CD1 3.86Å; I138-I247 HydrophobicContact CD1-CG1 3.73Å; I138-I247 HydrophobicContact CG1-CD1 3.74Å; I138-I247 HydrophobicContact CG1-CG1 3.8Å; I138-I247 HydrophobicContact CG2-CG1 3.98Å; I138-N399 PolarHBondContact O-OD1 3.46Å; I138-I400 PolarHBondContact N-O 2.94Å; I138-I400 WeakPolarHBondContact O-CB 3.49Å; I138-I400 PolarHBondContact O-N 3.16Å; I138-F457 HydrophobicContact CD1-CE1 4.03Å
139T89.9Confident88.6Confident3 Ų319.6 Ų19.62%0.0189%0.094CC..EExtended strand (participates in β ladder)trans-89.8170.1166.369.60000110.7Q207 L208 N399T139-Q207 WeakPolarHBondContact O-CG 3.28Å; T139-Q207 PolarHBondContact O-NE2 3.38Å; T139-Q207 VanDerWaalsContact O-NE2 3.07Å; T139-L208 HydrophobicContact CG2-CB 3.72Å; T139-L208 PolarHBondContact N-O 2.91Å; T139-L208 PolarHBondContact OG1-N 3.31Å; T139-L208 PolarHBondContact OG1-O 3.48Å; T139-N399 HydrophobicContact CG2-CB 4.25Å
140R86.1Confident88.5Confident35 Ų3519.1 Ų19.113%0.1329%0.091CC..PPolyproline II helixtrans-66.6156.5164-74.4-179.655.1-150.6-18.9110.9T142 I442 E449 Q453 L455R140-T142 PolarHBondContact O-N 2.78Å; R140-I442 HydrophobicContact CG-CD1 4.13Å; R140-E449 IonicContact CZ-OE1 3.48Å; R140-E449 VanDerWaalsContact CZ-OE1 3.28Å; R140-E449 IonicContact CZ-OE2 3.99Å; R140-E449 IonicContact NH1-OE1 2.97Å; R140-E449 PolarHBondContact NH1-OE1 3.37Å; R140-E449 VanDerWaalsContact NH1-OE1 3.11Å; R140-E449 IonicContact NH1-OE2 3.29Å; R140-E449 PolarHBondContact NH1-OE2 3.45Å; R140-E449 IonicContact NH2-OE1 3.19Å; R140-E449 PolarHBondContact NH2-OE1 3.32Å; R140-E449 IonicContact NH2-OE2 3.25Å; R140-E449 PolarHBondContact NH2-OE2 3.16Å; R140-Q453 VanDerWaalsContact NH2-CD 3.34Å; R140-L455 HydrophobicContact CG-CD1 3.97Å
141V87.1Confident88.4Confident35 Ų3520.8 Ų20.821%0.21210%0.099CC..PPolyproline II helixtrans-71.6127169-177.70000108.4D205 K206 Q207 C242 H243V141-D205 HydrophobicContact CG1-CB 3.46Å; V141-D205 VanDerWaalsContact CG1-CB 3.46Å; V141-D205 VanDerWaalsContact CG1-CG 3.46Å; V141-K206 WeakPolarHBondContact CA-O 3.46Å; V141-Q207 HydrophobicContact CG2-CB 4.22Å; V141-Q207 HydrophobicContact CG2-CG 4.33Å; V141-C242 HydrophobicContact CG2-CB 4.35Å; V141-H243 WeakPolarHBondContact CG2-CE1 3.42Å; V141-H243 WeakPolarHBondContact CG2-NE2 3.37Å
142T84.6Confident88.3Confident25 Ų2521 Ų2115%0.15310%0.101CC..EExtended strand (participates in β ladder)trans-125.1155.3176.6530000109R140 D205 K206 T397R140-T142 PolarHBondContact O-N 2.78Å; T142-D205 CarbonylContact O-C 2.82Å; T142-K206 PolarHBondContact N-O 2.89Å; T142-K206 WeakPolarHBondContact O-CG 3.49Å; T142-K206 PolarHBondContact O-N 3.25Å; T142-K206 WeakPolarHBondContact OG1-CE 3.28Å; T142-K206 WeakPolarHBondContact OG1-CG 3.41Å; T142-K206 PolarHBondContact OG1-O 2.97Å; T142-T397 HydrophobicContact CG2-CG2 3.25Å
143K85.1Confident88.1Confident125 Ų12521.4 Ų21.454%0.54311%0.108SC..EExtended strand (participates in β ladder)trans-79.8149.7174.6-61.4-167.8175.3-154.50110.5G202 T204 K206K143-G202 PolarHBondContact NZ-O 2.84Å; K143-T204 WeakPolarHBondContact CA-O 3.42Å; K143-K206 WeakPolarHBondContact O-CE 3.42Å
144Y84Confident87.9Confident3 Ų324.1 Ų24.11%0.01212%0.122CC..  trans-136.2155.8172.978.9-78000111Q146 H169 T204 D205 K206 R238 D239Y144-Q146 HydrophobicContact CE2-CB 4.13Å; Y144-Q146 PolarHBondContact O-N 3.3Å; Y144-H169 HydrophobicContact CE2-CB 4.28Å; Y144-T204 VanDerWaalsContact CD1-O 3.32Å; Y144-T204 WeakPolarHBondContact CD1-O 3.47Å; Y144-T204 PolarHBondContact N-O 3.19Å; Y144-T204 PolarHBondContact O-OG1 3.49Å; Y144-D205 WeakPolarHBondContact CE1-O 3.38Å; Y144-K206 HydrophobicContact CD1-CB 3.75Å; Y144-K206 HydrophobicContact CD1-CG 4.27Å; Y144-K206 HydrophobicContact CE1-CB 4.46Å; Y144-K206 HydrophobicContact CG-CB 4.23Å; Y144-K206 HydrophobicContact CG-CD 4.42Å; Y144-K206 HydrophobicContact CG-CG 4.45Å; Y144-R238 HydrophobicContact CE1-CB 4.26Å; Y144-R238 HydrophobicContact CE1-CG 4.33Å; Y144-D239 WeakPolarHBondContact CE1-OD1 3.34Å; Y144-D239 VanDerWaalsContact OH-CG 3.29Å; Y144-D239 PolarHBondContact OH-OD1 2.88Å; Y144-D239 PolarHBondContact OH-OD2 2.98Å
145T83.5Confident87.5Confident6 Ų630.6 Ų30.64%0.03716%0.157CC..  trans-77.4108.5176-44.60000110.4E175 V179 R199 L201T145-E175 PolarHBondContact N-OE1 2.94Å; T145-E175 PolarHBondContact OG1-OE1 3.43Å; T145-V179 HydrophobicContact CG2-CG2 3.57Å; T145-R199 HydrophobicContact CG2-CG 3.58Å; T145-L201 HydrophobicContact CG2-CD2 4.4Å; T145-L201 WeakPolarHBondContact OG1-CD2 3.28Å
146Q80.6Confident87.1Confident17 Ų1738.1 Ų38.18%0.07920%0.197CC..  trans-77.2-38.1177.5-177.5-171.540.700111.7Y144 V168 H169 V200 T204Y144-Q146 HydrophobicContact CE2-CB 4.13Å; Y144-Q146 PolarHBondContact O-N 3.3Å; Q146-V168 CarbonylContact O-C 3.53Å; Q146-V168 WeakPolarHBondContact O-CA 3.38Å; Q146-V168 WeakPolarHBondContact O-CG1 3.3Å; Q146-H169 WeakPolarHBondContact O-CB 3.35Å; Q146-H169 PolarHBondContact O-N 3.45Å; Q146-V200 HydrophobicContact CB-CG1 4.49Å; Q146-V200 PolarHBondContact N-O 2.86Å; Q146-V200 VanDerWaalsContact N-O 3.11Å; Q146-T204 HydrophobicContact CB-CG2 3.41Å; Q146-T204 VanDerWaalsContact CB-CG2 3.41Å; Q146-T204 VanDerWaalsContact CD-CG2 3.49Å; Q146-T204 HydrophobicContact CG-CG2 3.95Å; Q146-T204 VanDerWaalsContact OE1-CG2 3.3Å
147G85.6Confident86.7Confident0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-163.8155.817800000112.8R167 V200G147-R167 CarbonylContact C-O 3.59Å; G147-R167 WeakPolarHBondContact CA-O 3.47Å; G147-V200 PolarHBondContact O-N 3.04Å
148A86.3Confident86.1Confident0 Ų040.7 Ų40.70%022%0.216CC..EExtended strand (participates in β ladder)trans-141.7143.7179.500000110.8F150 R167 V179 E194A148-F150 HydrophobicContact CB-CE2 3.74Å; A148-F150 HydrophobicContact CB-CZ 4.1Å; A148-R167 PolarHBondContact N-O 3.06Å; A148-R167 PolarHBondContact O-N 2.94Å; A148-V179 HydrophobicContact CB-CG2 4.32Å; A148-E194 HydrophobicContact CB-CG 4.29Å
149R88.1Confident85.5Confident28 Ų2840 Ų4011%0.10621%0.213CC..EExtended strand (participates in β ladder)trans-89.6135.4171.2-175.8173.579.6171.99.3109.8A39 L151 D195 F198A39-R149 HydrophobicContact CB-CB 4.44Å; R149-L151 HydrophobicContact CG-CD2 4.5Å; R149-D195 IonicContact CZ-OD2 3.27Å; R149-D195 IonicContact NE-OD2 3.22Å; R149-D195 IonicContact NH2-OD2 3.81Å; R149-D195 PolarHBondContact NH2-OD2 3.25Å; R149-D195 PolarHBondContact O-N 2.95Å; R149-F198 HydrophobicContact CB-CB 3.86Å; R149-F198 VanDerWaalsContact CZ-CE2 3.44Å
150F87.4Confident85.1Confident3 Ų340.9 Ų40.91%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-118.7143.7174.4-66.6-90000110.1A148 H165 R167 F183 L192 K193 E194A148-F150 HydrophobicContact CB-CE2 3.74Å; A148-F150 HydrophobicContact CB-CZ 4.1Å; F150-H165 HydrophobicContact CB-CB 4.06Å; F150-H165 PolarHBondContact N-O 2.65Å; F150-H165 WeakPolarHBondContact O-CB 3.45Å; F150-R167 HydrophobicContact CD2-CB 4.39Å; F150-R167 HydrophobicContact CD2-CG 4.23Å; F150-R167 HydrophobicContact CE2-CB 3.99Å; F150-R167 HydrophobicContact CE2-CG 4.13Å; F150-F183 HydrophobicContact CD1-CD2 4.18Å; F150-F183 AromaticContact CE1-CD2 3.67Å; F150-F183 HydrophobicContact CE1-CD2 3.67Å; F150-F183 HydrophobicContact CE1-CE2 4.08Å; F150-F183 HydrophobicContact CE2-CD2 4.21Å; F150-F183 HydrophobicContact CE2-CE2 4.18Å; F150-F183 AromaticContact CZ-CD2 3.7Å; F150-F183 HydrophobicContact CZ-CD2 3.7Å; F150-F183 AromaticContact CZ-CE2 3.66Å; F150-F183 HydrophobicContact CZ-CE2 3.66Å; F150-L192 HydrophobicContact CB-CB 4.05Å; F150-L192 HydrophobicContact CB-CD1 4.19Å; F150-L192 HydrophobicContact CB-CD2 4.44Å; F150-L192 HydrophobicContact CB-CG 4.46Å; F150-L192 HydrophobicContact CD1-CB 4.3Å; F150-K193 CarbonylContact C-O 3.6Å; F150-K193 WeakPolarHBondContact CA-O 3.28Å; F150-E194 HydrophobicContact CD1-CB 3.96Å; F150-E194 HydrophobicContact CD1-CG 4.42Å; F150-E194 HydrophobicContact CE1-CB 3.69Å; F150-E194 HydrophobicContact CE1-CG 4Å; F150-E194 HydrophobicContact CZ-CB 4.42Å; F150-E194 HydrophobicContact CZ-CG 4.24Å
151L88.5Confident84.8Confident41 Ų4143.9 Ų43.922%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-119.7142.1177-59.9176.2000109.1R149 L192 K193 D195R149-L151 HydrophobicContact CG-CD2 4.5Å; L151-L192 CarbonylContact O-C 3.58Å; L151-L192 WeakPolarHBondContact O-CA 3.5Å; L151-K193 PolarHBondContact N-O 2.8Å; L151-K193 PolarHBondContact O-N 3.14Å; L151-D195 HydrophobicContact CD1-CB 4.35Å
152C88.9Confident84.5Confident6 Ų643.9 Ų43.94%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-66.2137.8172.8-170.50000110.5D154 C157 G159 C185 C188 L192C152-D154 PolarHBondContact O-N 3.48Å; C152-D154 PolarHBondContact SG-N 2.68Å; C152-C157 HydrophobicContact CB-CB 4.23Å; C152-G159 WeakPolarHBondContact CB-O 3.38Å; C152-G159 PolarHBondContact N-O 3.27Å; C152-C185 HydrophobicContact CB-CB 4.49Å; C152-C188 PolarHBondContact SG-SG 2.91Å; C152-L192 HydrophobicContact CB-CD2 4.33Å
153T87.7Confident84.3Confident75 Ų7543.7 Ų43.746%0.4625%0.246SC..SBendtrans-73.9-14174.855.60000113.7Q191 K193T153-Q191 HydrophobicContact CG2-CB 4.45Å; T153-Q191 WeakPolarHBondContact CG2-O 3.34Å; T153-Q191 PolarHBondContact N-O 3.49Å; T153-Q191 VanDerWaalsContact N-O 3.09Å; T153-Q191 PolarHBondContact OG1-O 2.92Å; T153-Q191 VanDerWaalsContact OG1-O 3.09Å; T153-K193 HydrophobicContact CG2-CB 4.15Å
154D87.6Confident84.1Confident57 Ų5742.4 Ų42.431%0.30524%0.241SC..  trans-90.4111.8176.6-176.9-1000109.4C152 D156 C157 S160C152-D154 PolarHBondContact O-N 3.48Å; C152-D154 PolarHBondContact SG-N 2.68Å; D154-D156 VanDerWaalsContact C-N 3.27Å; D154-D156 PolarHBondContact O-N 3.1Å; D154-D156 PolarHBondContact OD1-N 3.33Å; D154-C157 HydrophobicContact CB-CB 4.19Å; D154-C157 VanDerWaalsContact O-CB 3.28Å; D154-C157 WeakPolarHBondContact O-CB 3.22Å; D154-C157 PolarHBondContact O-N 3.47Å; D154-C157 VanDerWaalsContact O-N 3.16Å; D154-S160 WeakPolarHBondContact O-CB 3.3Å
155D83.6Confident84Confident138 Ų13843.4 Ų43.474%0.73825%0.246SC*.THydrogen-bonded Turntrans-65.1-29.3-173.5-70.6-32.5000112.7C157 S160D155-C157 PolarHBondContact O-N 3.15Å; D155-S160 PolarHBondContact O-OG 3.43Å; D155-S160 VanDerWaalsContact O-OG 3.05Å
156D85Confident84.1Confident157 Ų15744.2 Ų44.284%0.8425%0.25SC*.THydrogen-bonded Turntrans-77.4-11.8179.2-69.1-32.8000112.5D154D154-D156 VanDerWaalsContact C-N 3.27Å; D154-D156 PolarHBondContact O-N 3.1Å; D154-D156 PolarHBondContact OD1-N 3.33Å
157C85.3Confident84.2Confident7 Ų748 Ų485%0.04726%0.264CS..SBendtrans-78.6135.5177-177.20000110.4C152 D154 D155 G159 S160C152-C157 HydrophobicContact CB-CB 4.23Å; D154-C157 HydrophobicContact CB-CB 4.19Å; D154-C157 VanDerWaalsContact O-CB 3.28Å; D154-C157 WeakPolarHBondContact O-CB 3.22Å; D154-C157 PolarHBondContact O-N 3.47Å; D154-C157 VanDerWaalsContact O-N 3.16Å; D155-C157 PolarHBondContact O-N 3.15Å; C157-G159 PolarHBondContact O-N 3.42Å; C157-G159 PolarHBondContact SG-N 2.91Å; C157-G159 VanDerWaalsContact SG-N 3.41Å; C157-S160 VanDerWaalsContact O-CB 3.26Å; C157-S160 WeakPolarHBondContact O-CB 3.31Å; C157-S160 PolarHBondContact O-N 3.34Å; C157-S160 PolarHBondContact O-OG 3.26Å
158P81.6Confident84.1Confident79 Ų7949.8 Ų49.851%0.51327%0.274SS..G310 helixtrans-59.7-17.4173.624.9-35000113.2S160 H164 I187P158-S160 VanDerWaalsContact C-N 3.29Å; P158-S160 PolarHBondContact O-N 3.2Å; P158-H164 PolarHBondContact O-CD2 3.07Å; P158-H164 VanDerWaalsContact O-CD2 3.31Å; P158-I187 HydrophobicContact CG-CD1 3.96Å; P158-I187 HydrophobicContact CG-CG2 4.33Å
159G79.3Confident83.9Confident1 Ų150.4 Ų50.41%0.0128%0.277CS..G310 helixtrans-78.9-1.2172.700000115.2C152 C157 T161C152-G159 WeakPolarHBondContact CB-O 3.38Å; C152-G159 PolarHBondContact N-O 3.27Å; C157-G159 PolarHBondContact O-N 3.42Å; C157-G159 PolarHBondContact SG-N 2.91Å; C157-G159 VanDerWaalsContact SG-N 3.41Å; G159-T161 VanDerWaalsContact C-N 3.29Å
160S80.8Confident83.2Confident21 Ų2150.9 Ų50.915%0.14729%0.287CS..G310 helixtrans-73-23175.367.50000112.6D154 D155 C157 P158D154-S160 WeakPolarHBondContact O-CB 3.3Å; D155-S160 PolarHBondContact O-OG 3.43Å; D155-S160 VanDerWaalsContact O-OG 3.05Å; C157-S160 VanDerWaalsContact O-CB 3.26Å; C157-S160 WeakPolarHBondContact O-CB 3.31Å; C157-S160 PolarHBondContact O-N 3.34Å; C157-S160 PolarHBondContact O-OG 3.26Å; P158-S160 VanDerWaalsContact C-N 3.29Å; P158-S160 PolarHBondContact O-N 3.2Å
161T79.3Confident82.4Confident98 Ų9853 Ų5360%0.60130%0.301SS*.SBendtrans-129.8164.4179.459.20000111.5G159 H164G159-T161 VanDerWaalsContact C-N 3.29Å; T161-H164 PolarHBondContact O-CD2 2.78Å; T161-H164 VanDerWaalsContact O-CD2 3.3Å
162G80.9Confident81.4Confident35 Ų3551.7 Ų51.736%0.36130%0.297SS..SBendtrans80.6-157.8176.200000115.3
163F81.1Confident80.5Confident21 Ų2152.7 Ų52.79%0.09231%0.306CS..SBendtrans-117.736.5-171.5-68.8-78.1000112.3T37 H92 T93 Q96 I166 F198T37-F163 HydrophobicContact CG2-CZ 4.15Å; H92-F163 AromaticContact ND1-CE2 3.98Å; T93-F163 HydrophobicContact CG2-CB 4.42Å; T93-F163 PolarHBondContact OG1-O 2.92Å; Q96-F163 HydrophobicContact CG-CB 3.86Å; Q96-F163 HydrophobicContact CG-CD1 4.18Å; Q96-F163 HydrophobicContact CG-CG 4.01Å; F163-I166 HydrophobicContact CB-CD1 3.82Å; F163-I166 HydrophobicContact CD1-CD1 4.05Å; F163-I166 HydrophobicContact CG-CD1 4.39Å; F163-F198 HydrophobicContact CE1-CD1 4.2Å; F163-F198 HydrophobicContact CE1-CE1 4.22Å; F163-F198 HydrophobicContact CZ-CE1 4.16Å
164H80.1Confident79.7Confident97 Ų9751.4 Ų51.445%0.44930%0.298SS..SBendtrans-76.7-36.4-174.6-64.5-61.7000113.6P158 T161P158-H164 PolarHBondContact O-CD2 3.07Å; P158-H164 VanDerWaalsContact O-CD2 3.31Å; T161-H164 PolarHBondContact O-CD2 2.78Å; T161-H164 VanDerWaalsContact O-CD2 3.3Å
165H83.4Confident78.9Confident24 Ų2452 Ų5211%0.11130%0.299CS..EExtended strand (participates in β ladder)trans-113.385.3-179.5-55.3-61.3000110.2F150 C185 L192F150-H165 HydrophobicContact CB-CB 4.06Å; F150-H165 PolarHBondContact N-O 2.65Å; F150-H165 WeakPolarHBondContact O-CB 3.45Å; H165-C185 PolarHBondContact NE2-SG 3.43Å; H165-L192 HydrophobicContact CB-CD1 4.19Å; H165-L192 HydrophobicContact CB-CD2 4.32Å
166I84.7Confident78.3Confident23 Ų2348.7 Ų48.712%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-108.3129.6171.1-65.7164.4000107.4A39 V40 Q96 F163 V168A39-I166 VanDerWaalsContact O-CD1 3.24Å; A39-I166 WeakPolarHBondContact O-CD1 3.39Å; V40-I166 HydrophobicContact CG2-CG2 3.61Å; Q96-I166 HydrophobicContact CB-CD1 4.21Å; Q96-I166 HydrophobicContact CG-CD1 3.38Å; F163-I166 HydrophobicContact CB-CD1 3.82Å; F163-I166 HydrophobicContact CD1-CD1 4.05Å; F163-I166 HydrophobicContact CG-CD1 4.39Å; I166-V168 HydrophobicContact CG2-CG2 3.78Å
167R83.4Confident77.7Confident98 Ų9843.1 Ų43.137%0.3726%0.262SS..EExtended strand (participates in β ladder)trans-108.8127.3168.8-69.8-178166.8-104.7-4.5108.1G147 A148 F150 A177G147-R167 CarbonylContact C-O 3.59Å; G147-R167 WeakPolarHBondContact CA-O 3.47Å; A148-R167 PolarHBondContact N-O 3.06Å; A148-R167 PolarHBondContact O-N 2.94Å; F150-R167 HydrophobicContact CD2-CB 4.39Å; F150-R167 HydrophobicContact CD2-CG 4.23Å; F150-R167 HydrophobicContact CE2-CB 3.99Å; F150-R167 HydrophobicContact CE2-CG 4.13Å; R167-A177 PolarHBondContact NH1-O 2.97Å
168V82.6Confident77.3Confident37 Ų3742.9 Ų42.922%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-115.5148.1175.7-167.50000107.7V40 N98 Q146 I166 A170V40-V168 HydrophobicContact CG1-CG1 4.1Å; V40-V168 HydrophobicContact CG1-CG2 3.81Å; V40-V168 HydrophobicContact CG2-CG2 3.82Å; N98-V168 HydrophobicContact CB-CG1 4.12Å; N98-V168 VanDerWaalsContact ND2-CG1 3.34Å; N98-V168 WeakPolarHBondContact ND2-CG1 3.48Å; Q146-V168 CarbonylContact O-C 3.53Å; Q146-V168 WeakPolarHBondContact O-CA 3.38Å; Q146-V168 WeakPolarHBondContact O-CG1 3.3Å; I166-V168 HydrophobicContact CG2-CG2 3.78Å; V168-A170 PolarHBondContact O-N 3.33Å
169H81.7Confident77.1Confident13 Ų1340.6 Ų40.66%0.0625%0.245CC..PPolyproline II helixtrans-58.1118.3170.8-178.372.7000109.7Y144 Q146 A173 R238 E271Y144-H169 HydrophobicContact CE2-CB 4.28Å; Q146-H169 WeakPolarHBondContact O-CB 3.35Å; Q146-H169 PolarHBondContact O-N 3.45Å; H169-A173 PolarHBondContact CE1-O 2.72Å; H169-R238 VanDerWaalsContact CE1-CZ 3.45Å; H169-R238 PolarHBondContact CE1-NH2 3.13Å; H169-R238 PolarHBondContact NE2-NE 2.9Å; H169-R238 PolarHBondContact NE2-NH2 3.28Å; H169-E271 IonicContact NE2-OE1 3.28Å; H169-E271 IonicContact NE2-OE2 2.74Å; H169-E271 PolarHBondContact NE2-OE2 2.8Å
170A74.8Confident77.1Confident38 Ų3846.2 Ų46.231%0.31427%0.266SS..PPolyproline II helixtrans-90.8144170.400000109.2L68 V168 G172 A173L68-A170 HydrophobicContact CD2-CB 4.26Å; V168-A170 PolarHBondContact O-N 3.33Å; A170-G172 PolarHBondContact O-N 3.12Å; A170-A173 HydrophobicContact CB-CB 4.21Å; A170-A173 WeakPolarHBondContact O-CB 3.5Å; A170-A173 PolarHBondContact O-N 2.99Å
171P70.3Confident77Confident48 Ų4851.4 Ų51.431%0.31229%0.292SS..THydrogen-bonded Turntrans-53.5125.4175.4-26.534.7000111.4A173 I256 E271P171-A173 VanDerWaalsContact C-N 3.34Å; P171-I256 HydrophobicContact CB-CD1 4.1Å; P171-E271 WeakPolarHBondContact CA-OE1 3.48Å; P171-E271 WeakPolarHBondContact CA-OE2 3.4Å
172G66.3Low77.1Confident13 Ų1351 Ų5113%0.13429%0.286CS..THydrogen-bonded Turntrans81.23.7-175.600000116.4A170 V258 E271A170-G172 PolarHBondContact O-N 3.12Å; G172-V258 WeakPolarHBondContact O-CG1 3.36Å; G172-E271 PolarHBondContact N-OE2 3.27Å
173A71.4Confident77.4Confident26 Ų2649.6 Ų49.622%0.21527%0.27CS..  trans-80147.5170.300000110.7H169 A170 P171 A177H169-A173 PolarHBondContact CE1-O 2.72Å; A170-A173 HydrophobicContact CB-CB 4.21Å; A170-A173 WeakPolarHBondContact O-CB 3.5Å; A170-A173 PolarHBondContact O-N 2.99Å; P171-A173 VanDerWaalsContact C-N 3.34Å; A173-A177 HydrophobicContact CB-CB 3.86Å
174T71.4Confident77.7Confident49 Ų4951.8 Ų51.830%0.30129%0.288SS..  trans-73.2159.5166.753.30000110.2S176 A177 V260T174-S176 PolarHBondContact O-N 3.38Å; T174-S176 PolarHBondContact OG1-OG 3.4Å; T174-A177 VanDerWaalsContact O-CB 3.22Å; T174-A177 WeakPolarHBondContact O-CB 3.41Å; T174-A177 PolarHBondContact O-N 2.96Å; T174-V260 HydrophobicContact CG2-CB 4.36Å; T174-V260 HydrophobicContact CG2-CG1 3.58Å; T174-V260 HydrophobicContact CG2-CG2 3.78Å
175E70.9Confident78Confident70 Ų7047.2 Ų47.233%0.32727%0.267SS..Hα-helixtrans-59.4-30.7176.2-173.2163.4-169.900112.4T145 A177 T178 V179 K206T145-E175 PolarHBondContact N-OE1 2.94Å; T145-E175 PolarHBondContact OG1-OE1 3.43Å; E175-A177 PolarHBondContact O-N 3.4Å; E175-T178 WeakPolarHBondContact O-CB 3.45Å; E175-T178 PolarHBondContact O-N 3.25Å; E175-V179 PolarHBondContact O-N 3.41Å; E175-K206 IonicContact OE2-NZ 2.99Å; E175-K206 PolarHBondContact OE2-NZ 3.18Å
176S69.2Low78.1Confident68 Ų6854.3 Ų54.348%0.47630%0.302SS..Hα-helixtrans-65.5-17.9172.855.40000114.7T174 T178T174-S176 PolarHBondContact O-N 3.38Å; T174-S176 PolarHBondContact OG1-OG 3.4Å; S176-T178 VanDerWaalsContact C-N 3.31Å
177A74.1Confident78.1Confident40 Ų4057.9 Ų57.933%0.33132%0.321SS..Hα-helixtrans-75.4-26.4172.300000111.8R167 A173 T174 E175 F183R167-A177 PolarHBondContact NH1-O 2.97Å; A173-A177 HydrophobicContact CB-CB 3.86Å; T174-A177 VanDerWaalsContact O-CB 3.22Å; T174-A177 WeakPolarHBondContact O-CB 3.41Å; T174-A177 PolarHBondContact O-N 2.96Å; E175-A177 PolarHBondContact O-N 3.4Å; A177-F183 WeakPolarHBondContact O-CZ 3.45Å
178T75.3Confident78.3Confident1 Ų155.3 Ų55.31%0.00632%0.318CS..Hα-helixtrans-85.3-43.7177.2-47.40000111.1E175 S176E175-T178 WeakPolarHBondContact O-CB 3.45Å; E175-T178 PolarHBondContact O-N 3.25Å; S176-T178 VanDerWaalsContact C-N 3.31Å
179V77.5Confident78.5Confident32 Ų3258.1 Ų58.119%0.19434%0.339CS..SBendtrans-125.2115.7-176.8-174.30000111.1T145 A148 E175T145-V179 HydrophobicContact CG2-CG2 3.57Å; A148-V179 HydrophobicContact CB-CG2 4.32Å; E175-V179 PolarHBondContact O-N 3.41Å
180R80.3Confident78.8Confident119 Ų11959.2 Ų59.245%0.44935%0.348SS..  trans-155.8155.3176.6-156.1168.854.7151.225.6109.3D182 F183R180-D182 VanDerWaalsContact CD-OD1 3.25Å; R180-D182 WeakPolarHBondContact CD-OD1 3.2Å; R180-D182 WeakPolarHBondContact CG-OD1 3.1Å; R180-D182 IonicContact CZ-OD1 3.14Å; R180-D182 IonicContact CZ-OD2 2.82Å; R180-D182 IonicContact NE-OD1 2.66Å; R180-D182 PolarHBondContact NE-OD1 3.17Å; R180-D182 IonicContact NE-OD2 2.69Å; R180-D182 PolarHBondContact NE-OD2 2.69Å; R180-D182 IonicContact NH1-OD2 3.75Å; R180-D182 PolarHBondContact NH1-OD2 3.02Å; R180-D182 IonicContact NH2-OD1 2.83Å; R180-D182 PolarHBondContact NH2-OD1 3.48Å; R180-D182 IonicContact NH2-OD2 2.56Å; R180-D182 PolarHBondContact NH2-OD2 3.04Å; R180-F183 HydrophobicContact CB-CD2 4.34Å; R180-F183 HydrophobicContact CB-CE1 3.9Å; R180-F183 HydrophobicContact CB-CE2 3.72Å; R180-F183 HydrophobicContact CB-CZ 3.46Å; R180-F183 VanDerWaalsContact CB-CZ 3.46Å; R180-F183 VanDerWaalsContact N-CE2 3.26Å; R180-F183 WeakPolarHBondContact O-CD2 3.29Å; R180-F183 WeakPolarHBondContact O-CE2 3.05Å
181N77.7Confident79.5Confident129 Ų12963 Ų6369%0.6936%0.359SS*.SBendtrans-91.8-1.8-173-65-16.4000114.3Q191N181-Q191 PolarHBondContact O-NE2 3.27Å
182D82.4Confident80.4Confident90 Ų9061.1 Ų61.148%0.48135%0.346SS..  trans-112.716.7-170.667.8-9.5000112.7R180R180-D182 VanDerWaalsContact CD-OD1 3.25Å; R180-D182 WeakPolarHBondContact CD-OD1 3.2Å; R180-D182 WeakPolarHBondContact CG-OD1 3.1Å; R180-D182 IonicContact CZ-OD1 3.14Å; R180-D182 IonicContact CZ-OD2 2.82Å; R180-D182 IonicContact NE-OD1 2.66Å; R180-D182 PolarHBondContact NE-OD1 3.17Å; R180-D182 IonicContact NE-OD2 2.69Å; R180-D182 PolarHBondContact NE-OD2 2.69Å; R180-D182 IonicContact NH1-OD2 3.75Å; R180-D182 PolarHBondContact NH1-OD2 3.02Å; R180-D182 IonicContact NH2-OD1 2.83Å; R180-D182 PolarHBondContact NH2-OD1 3.48Å; R180-D182 IonicContact NH2-OD2 2.56Å; R180-D182 PolarHBondContact NH2-OD2 3.04Å
183F85.9Confident81.4Confident6 Ų667.9 Ų67.93%0.02637%0.372CS..  trans-71141.1178.1-62.5-47.5000110.6F150 A177 R180 L192F150-F183 HydrophobicContact CD1-CD2 4.18Å; F150-F183 AromaticContact CE1-CD2 3.67Å; F150-F183 HydrophobicContact CE1-CD2 3.67Å; F150-F183 HydrophobicContact CE1-CE2 4.08Å; F150-F183 HydrophobicContact CE2-CD2 4.21Å; F150-F183 HydrophobicContact CE2-CE2 4.18Å; F150-F183 AromaticContact CZ-CD2 3.7Å; F150-F183 HydrophobicContact CZ-CD2 3.7Å; F150-F183 AromaticContact CZ-CE2 3.66Å; F150-F183 HydrophobicContact CZ-CE2 3.66Å; A177-F183 WeakPolarHBondContact O-CZ 3.45Å; R180-F183 HydrophobicContact CB-CD2 4.34Å; R180-F183 HydrophobicContact CB-CE1 3.9Å; R180-F183 HydrophobicContact CB-CE2 3.72Å; R180-F183 HydrophobicContact CB-CZ 3.46Å; R180-F183 VanDerWaalsContact CB-CZ 3.46Å; R180-F183 VanDerWaalsContact N-CE2 3.26Å; R180-F183 WeakPolarHBondContact O-CD2 3.29Å; R180-F183 WeakPolarHBondContact O-CE2 3.05Å; F183-L192 HydrophobicContact CB-CB 4.07Å; F183-L192 HydrophobicContact CB-CD1 3.97Å; F183-L192 WeakPolarHBondContact O-CB 3.39Å; F183-L192 PolarHBondContact O-N 3.48Å
184S88.8Confident82.2Confident67 Ų6768.1 Ų68.147%0.46937%0.369SS..BIsolated β-bridgetrans-110.9145178.1580000111.5S190S184-S190 CarbonylContact C-O 3.47Å; S184-S190 WeakPolarHBondContact CA-O 3.36Å
185C86.4Confident82.9Confident1 Ų167.2 Ų67.21%0.00736%0.362CS..  trans-66.2131.6177.2179.30000110.3C152 H165 I187 S189 S190 L192C152-C185 HydrophobicContact CB-CB 4.49Å; H165-C185 PolarHBondContact NE2-SG 3.43Å; C185-I187 PolarHBondContact O-N 3.43Å; C185-I187 PolarHBondContact SG-N 2.73Å; C185-I187 VanDerWaalsContact SG-N 3.38Å; C185-S189 WeakPolarHBondContact O-CA 3.39Å; C185-S189 PolarHBondContact O-N 2.77Å; C185-S190 WeakPolarHBondContact CB-O 3.01Å; C185-S190 PolarHBondContact N-O 3.17Å; C185-L192 HydrophobicContact CB-CD2 3.96Å; C185-L192 HydrophobicContact CB-CG 4.36Å
186M84.2Confident83.5Confident172 Ų17268.8 Ų68.885%0.84738%0.376SS*.THydrogen-bonded Turntrans-68.7-12.4177.8-64.3-69.5-70.700113.6
187I85.7Confident84.1Confident98 Ų9874.5 Ų74.550%0.50339%0.393SS..THydrogen-bonded Turntrans-98.8-54.7-174.3-54175.9000110.5P158 C185P158-I187 HydrophobicContact CG-CD1 3.96Å; P158-I187 HydrophobicContact CG-CG2 4.33Å; C185-I187 PolarHBondContact O-N 3.43Å; C185-I187 PolarHBondContact SG-N 2.73Å; C185-I187 VanDerWaalsContact SG-N 3.38Å
188C87.1Confident84.3Confident45 Ų4575 Ų7530%0.30439%0.387SS..THydrogen-bonded Turntrans-114.20.7-176.266.30000114.4C152 S190C152-C188 PolarHBondContact SG-SG 2.91Å; C188-S190 PolarHBondContact O-N 3.38Å; C188-S190 VanDerWaalsContact SG-CB 3.6Å; C188-S190 PolarHBondContact SG-OG 2.87Å
189S87Confident84.7Confident96 Ų9678.8 Ų78.867%0.67140%0.401SS*.  trans62.71.1-177.4-53.10000116.4C185C185-S189 WeakPolarHBondContact O-CA 3.39Å; C185-S189 PolarHBondContact O-N 2.77Å
190S88.1Confident84.8Confident36 Ų3678.3 Ų78.325%0.25240%0.398SS..PPolyproline II helixtrans-63.3160.3171.4-610000112.2S184 C185 C188S184-S190 CarbonylContact C-O 3.47Å; S184-S190 WeakPolarHBondContact CA-O 3.36Å; C185-S190 WeakPolarHBondContact CB-O 3.01Å; C185-S190 PolarHBondContact N-O 3.17Å; C188-S190 PolarHBondContact O-N 3.38Å; C188-S190 VanDerWaalsContact SG-CB 3.6Å; C188-S190 PolarHBondContact SG-OG 2.87Å
191Q89.7Confident84.3Confident116 Ų11675.6 Ų75.654%0.54239%0.393SS..BIsolated β-bridgetrans-65.4143.6-178.6-167.617310.100111.2T153 N181T153-Q191 HydrophobicContact CG2-CB 4.45Å; T153-Q191 WeakPolarHBondContact CG2-O 3.34Å; T153-Q191 PolarHBondContact N-O 3.49Å; T153-Q191 VanDerWaalsContact N-O 3.09Å; T153-Q191 PolarHBondContact OG1-O 2.92Å; T153-Q191 VanDerWaalsContact OG1-O 3.09Å; N181-Q191 PolarHBondContact O-NE2 3.27Å
192L89.3Confident83.3Confident10 Ų1072 Ų725%0.05239%0.386CS..EExtended strand (participates in β ladder)trans-95.7131.2173.3-72.4178.5000110.1F150 L151 C152 H165 F183 C185F150-L192 HydrophobicContact CB-CB 4.05Å; F150-L192 HydrophobicContact CB-CD1 4.19Å; F150-L192 HydrophobicContact CB-CD2 4.44Å; F150-L192 HydrophobicContact CB-CG 4.46Å; F150-L192 HydrophobicContact CD1-CB 4.3Å; L151-L192 CarbonylContact O-C 3.58Å; L151-L192 WeakPolarHBondContact O-CA 3.5Å; C152-L192 HydrophobicContact CB-CD2 4.33Å; H165-L192 HydrophobicContact CB-CD1 4.19Å; H165-L192 HydrophobicContact CB-CD2 4.32Å; F183-L192 HydrophobicContact CB-CB 4.07Å; F183-L192 HydrophobicContact CB-CD1 3.97Å; F183-L192 WeakPolarHBondContact O-CB 3.39Å; F183-L192 PolarHBondContact O-N 3.48Å; C185-L192 HydrophobicContact CB-CD2 3.96Å; C185-L192 HydrophobicContact CB-CG 4.36Å
193K87.6Confident82.3Confident154 Ų15475.1 Ų75.167%0.6740%0.398SS*.EExtended strand (participates in β ladder)trans-105.6132.4173.7-171.7177.1-179.2-179.50109.9F150 L151 T153F150-K193 CarbonylContact C-O 3.6Å; F150-K193 WeakPolarHBondContact CA-O 3.28Å; L151-K193 PolarHBondContact N-O 2.8Å; L151-K193 PolarHBondContact O-N 3.14Å; T153-K193 HydrophobicContact CG2-CB 4.15Å
194E87.7Confident81.7Confident31 Ų3175 Ų7515%0.14540%0.397CS..EExtended strand (participates in β ladder)trans-70.3136.5177.7-168.6-176.117300111.9A148 F150 R199A148-E194 HydrophobicContact CB-CG 4.29Å; F150-E194 HydrophobicContact CD1-CB 3.96Å; F150-E194 HydrophobicContact CD1-CG 4.42Å; F150-E194 HydrophobicContact CE1-CB 3.69Å; F150-E194 HydrophobicContact CE1-CG 4Å; F150-E194 HydrophobicContact CZ-CB 4.42Å; F150-E194 HydrophobicContact CZ-CG 4.24Å; E194-R199 IonicContact OE1-CZ 2.73Å; E194-R199 IonicContact OE1-NE 2.62Å; E194-R199 PolarHBondContact OE1-NE 3.23Å; E194-R199 IonicContact OE1-NH2 2.62Å; E194-R199 PolarHBondContact OE1-NH2 3.33Å; E194-R199 IonicContact OE2-CZ 3.58Å; E194-R199 IonicContact OE2-NH2 3.47Å; E194-R199 PolarHBondContact OE2-NH2 3.05Å
195D85.9Confident81.7Confident31 Ų3174.2 Ų74.217%0.16639%0.388CS..EExtended strand (participates in β ladder)trans-93.698.2164.9-168.9-15.3000110.8R149 L151 K197 F198R149-D195 IonicContact CZ-OD2 3.27Å; R149-D195 IonicContact NE-OD2 3.22Å; R149-D195 IonicContact NH2-OD2 3.81Å; R149-D195 PolarHBondContact NH2-OD2 3.25Å; R149-D195 PolarHBondContact O-N 2.95Å; L151-D195 HydrophobicContact CD1-CB 4.35Å; D195-K197 PolarHBondContact O-N 2.77Å; D195-K197 VanDerWaalsContact O-N 3.13Å; D195-K197 WeakPolarHBondContact OD1-CB 3.33Å; D195-K197 PolarHBondContact OD1-N 3.25Å; D195-K197 VanDerWaalsContact OD1-N 3.1Å; D195-F198 PolarHBondContact O-N 3.25Å; D195-F198 VanDerWaalsContact O-N 3.07Å; D195-F198 WeakPolarHBondContact OD2-CD2 3.35Å
196V83.1Confident81.7Confident102 Ų10275.4 Ų75.462%0.61839%0.393SS*.EExtended strand (participates in β ladder)trans-59.1-26.3-176.7-174.20000112.6F198 R199V196-F198 PolarHBondContact O-N 3.29Å; V196-R199 PolarHBondContact O-N 3.2Å
197K82.1Confident82Confident189 Ų18967.5 Ų67.582%0.82235%0.354SS*.EExtended strand (participates in β ladder)trans-65.4-26.5179.2-64.9-179.8180178.10112.8D195D195-K197 PolarHBondContact O-N 2.77Å; D195-K197 VanDerWaalsContact O-N 3.13Å; D195-K197 WeakPolarHBondContact OD1-CB 3.33Å; D195-K197 PolarHBondContact OD1-N 3.25Å; D195-K197 VanDerWaalsContact OD1-N 3.1Å
198F79.6Confident82.2Confident50 Ų5063 Ų6322%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-107.117.2-175.2-77.8-80.8000111.9T37 A39 R149 F163 D195 V196T37-F198 WeakPolarHBondContact O-CE1 3.38Å; A39-F198 HydrophobicContact CB-CB 3.93Å; A39-F198 HydrophobicContact CB-CD1 4.29Å; A39-F198 WeakPolarHBondContact CB-O 3.35Å; R149-F198 HydrophobicContact CB-CB 3.86Å; R149-F198 VanDerWaalsContact CZ-CE2 3.44Å; F163-F198 HydrophobicContact CE1-CD1 4.2Å; F163-F198 HydrophobicContact CE1-CE1 4.22Å; F163-F198 HydrophobicContact CZ-CE1 4.16Å; D195-F198 PolarHBondContact O-N 3.25Å; D195-F198 VanDerWaalsContact O-N 3.07Å; D195-F198 WeakPolarHBondContact OD2-CD2 3.35Å; V196-F198 PolarHBondContact O-N 3.29Å
199R82.9Confident82.5Confident80 Ų8060.9 Ų60.930%0.30232%0.317SS..EExtended strand (participates in β ladder)trans-77.5125.2172.3-171-171.4-74.3179.7-4.7109.8T145 E194 V196 L201T145-R199 HydrophobicContact CG2-CG 3.58Å; E194-R199 IonicContact OE1-CZ 2.73Å; E194-R199 IonicContact OE1-NE 2.62Å; E194-R199 PolarHBondContact OE1-NE 3.23Å; E194-R199 IonicContact OE1-NH2 2.62Å; E194-R199 PolarHBondContact OE1-NH2 3.33Å; E194-R199 IonicContact OE2-CZ 3.58Å; E194-R199 IonicContact OE2-NH2 3.47Å; E194-R199 PolarHBondContact OE2-NH2 3.05Å; V196-R199 PolarHBondContact O-N 3.2Å; R199-L201 HydrophobicContact CG-CD1 4.15Å; R199-L201 HydrophobicContact CG-CG 3.95Å; R199-L201 PolarHBondContact O-N 2.85Å
200V78.5Confident82.8Confident22 Ų2257.7 Ų57.713%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-91.1102.2177.8-171.20000109A39 V40 Q146 G147 T204A39-V200 HydrophobicContact CB-CG2 4.32Å; V40-V200 HydrophobicContact CB-CG2 4.44Å; Q146-V200 HydrophobicContact CB-CG1 4.49Å; Q146-V200 PolarHBondContact N-O 2.86Å; Q146-V200 VanDerWaalsContact N-O 3.11Å; G147-V200 PolarHBondContact O-N 3.04Å; V200-T204 HydrophobicContact CG1-CG2 4.42Å
201L71Confident83Confident62 Ų6256 Ų5633%0.32528%0.279SS..  trans-125-24.3178.1-78.2171000113.5T145 R199 E203 T204T145-L201 HydrophobicContact CG2-CD2 4.4Å; T145-L201 WeakPolarHBondContact OG1-CD2 3.28Å; R199-L201 HydrophobicContact CG-CD1 4.15Å; R199-L201 HydrophobicContact CG-CG 3.95Å; R199-L201 PolarHBondContact O-N 2.85Å; L201-E203 PolarHBondContact O-N 2.76Å; L201-T204 PolarHBondContact O-OG1 3.18Å
202G56.2Low83.1Confident53 Ų5351.6 Ų51.655%0.54626%0.259SS..THydrogen-bonded Turntrans-66.8-36.2-160.100000114.4K143K143-G202 PolarHBondContact NZ-O 2.84Å
203E62.4Low83.2Confident157 Ų15752.3 Ų52.373%0.73426%0.262SS*.THydrogen-bonded Turntrans-111.83-170.3-57.2-173.7165.600113.3L201L201-E203 PolarHBondContact O-N 2.76Å
204T73.5Confident83.1Confident2 Ų246.3 Ų46.31%0.01224%0.238CC..  trans-110.7102-163.848.80000111.3K143 Y144 Q146 V200 L201K143-T204 WeakPolarHBondContact CA-O 3.42Å; Y144-T204 VanDerWaalsContact CD1-O 3.32Å; Y144-T204 WeakPolarHBondContact CD1-O 3.47Å; Y144-T204 PolarHBondContact N-O 3.19Å; Y144-T204 PolarHBondContact O-OG1 3.49Å; Q146-T204 HydrophobicContact CB-CG2 3.41Å; Q146-T204 VanDerWaalsContact CB-CG2 3.41Å; Q146-T204 VanDerWaalsContact CD-CG2 3.49Å; Q146-T204 HydrophobicContact CG-CG2 3.95Å; Q146-T204 VanDerWaalsContact OE1-CG2 3.3Å; V200-T204 HydrophobicContact CG1-CG2 4.42Å; L201-T204 PolarHBondContact O-OG1 3.18Å
205D87.2Confident83Confident52 Ų5249.4 Ų49.428%0.27825%0.253SS..EExtended strand (participates in β ladder)trans-98.4141.1-175.9-76.9-23000111.1V141 T142 Y144 R238 D239 C242V141-D205 HydrophobicContact CG1-CB 3.46Å; V141-D205 VanDerWaalsContact CG1-CB 3.46Å; V141-D205 VanDerWaalsContact CG1-CG 3.46Å; T142-D205 CarbonylContact O-C 2.82Å; Y144-D205 WeakPolarHBondContact CE1-O 3.38Å; D205-R238 CarbonylContact O-C 3.3Å; D205-R238 VanDerWaalsContact O-CA 3.3Å; D205-R238 WeakPolarHBondContact O-CA 3.42Å; D205-D239 PolarHBondContact O-N 3.34Å; D205-C242 VanDerWaalsContact C-SG 3.54Å; D205-C242 HydrophobicContact CB-CB 4.3Å; D205-C242 PolarHBondContact O-SG 3.02Å; D205-C242 VanDerWaalsContact O-SG 3.38Å
206K86.9Confident83Confident25 Ų2548.4 Ų48.411%0.10925%0.249CC..EExtended strand (participates in β ladder)trans-125.8140.9170.568174.4164.6-166.50109.9V141 T142 K143 Y144 E175 L237V141-K206 WeakPolarHBondContact CA-O 3.46Å; T142-K206 PolarHBondContact N-O 2.89Å; T142-K206 WeakPolarHBondContact O-CG 3.49Å; T142-K206 PolarHBondContact O-N 3.25Å; T142-K206 WeakPolarHBondContact OG1-CE 3.28Å; T142-K206 WeakPolarHBondContact OG1-CG 3.41Å; T142-K206 PolarHBondContact OG1-O 2.97Å; K143-K206 WeakPolarHBondContact O-CE 3.42Å; Y144-K206 HydrophobicContact CD1-CB 3.75Å; Y144-K206 HydrophobicContact CD1-CG 4.27Å; Y144-K206 HydrophobicContact CE1-CB 4.46Å; Y144-K206 HydrophobicContact CG-CB 4.23Å; Y144-K206 HydrophobicContact CG-CD 4.42Å; Y144-K206 HydrophobicContact CG-CG 4.45Å; E175-K206 IonicContact OE2-NZ 2.99Å; E175-K206 PolarHBondContact OE2-NZ 3.18Å; K206-L237 CarbonylContact C-O 3.51Å; K206-L237 WeakPolarHBondContact CA-O 3.39Å
207Q90.3Very high82.9Confident7 Ų743.8 Ų43.83%0.03322%0.221CC..EExtended strand (participates in β ladder)trans-138.7135.3174.7-170.6176.725.300109.2T139 V141 L237T139-Q207 WeakPolarHBondContact O-CG 3.28Å; T139-Q207 PolarHBondContact O-NE2 3.38Å; T139-Q207 VanDerWaalsContact O-NE2 3.07Å; V141-Q207 HydrophobicContact CG2-CB 4.22Å; V141-Q207 HydrophobicContact CG2-CG 4.33Å; Q207-L237 HydrophobicContact CB-CB 4.31Å; Q207-L237 PolarHBondContact N-O 3.37Å; Q207-L237 PolarHBondContact O-N 3.02Å
208L90.4Very high82.9Confident4 Ų437.6 Ų37.62%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-99.4139.9175.2-70.370.2000108.8I138 T139 T234 L235 F236 R393 A395I138-L208 CarbonylContact C-O 3.6Å; I138-L208 WeakPolarHBondContact CA-O 3.33Å; T139-L208 HydrophobicContact CG2-CB 3.72Å; T139-L208 PolarHBondContact N-O 2.91Å; T139-L208 PolarHBondContact OG1-N 3.31Å; T139-L208 PolarHBondContact OG1-O 3.48Å; L208-T234 HydrophobicContact CB-CG2 4.16Å; L208-T234 HydrophobicContact CD2-CG2 4.07Å; L208-T234 HydrophobicContact CG-CG2 4.32Å; L208-L235 CarbonylContact C-O 3.54Å; L208-L235 WeakPolarHBondContact CA-O 3.48Å; L208-F236 HydrophobicContact CD1-CD1 4.02Å; L208-F236 HydrophobicContact CD1-CE1 3.87Å; L208-F236 HydrophobicContact CD2-CD1 4.46Å; L208-F236 HydrophobicContact CD2-CE1 3.77Å; L208-F236 HydrophobicContact CD2-CZ 3.98Å; L208-F236 HydrophobicContact CG-CD1 3.89Å; L208-F236 HydrophobicContact CG-CE1 3.68Å; L208-F236 HydrophobicContact CG-CZ 4.27Å; L208-R393 HydrophobicContact CD2-CB 4.32Å; L208-A395 HydrophobicContact CD1-CB 3.58Å; L208-A395 HydrophobicContact CD2-CB 4.16Å
209V93.1Very high83Confident0 Ų037.6 Ų37.60%020%0.201CC..EExtended strand (participates in β ladder)trans-132.8134.9-179.8177.80000109.1V135 A137 I138 T234 L235 L237 M245V135-V209 HydrophobicContact CB-CG1 4.32Å; V135-V209 HydrophobicContact CG1-CG1 3.58Å; V135-V209 HydrophobicContact CG2-CG1 3.89Å; A137-V209 WeakPolarHBondContact O-CA 3.38Å; I138-V209 HydrophobicContact CG2-CB 4.44Å; I138-V209 HydrophobicContact CG2-CG1 4.14Å; I138-V209 HydrophobicContact CG2-CG2 3.92Å; V209-T234 CarbonylContact O-C 3.57Å; V209-T234 WeakPolarHBondContact O-CA 3.46Å; V209-L235 HydrophobicContact CB-CB 4.34Å; V209-L235 PolarHBondContact N-O 3.16Å; V209-L235 PolarHBondContact O-N 2.86Å; V209-L237 HydrophobicContact CG2-CD1 3.5Å; V209-L237 VanDerWaalsContact CG2-CD1 3.5Å; V209-L237 HydrophobicContact CG2-CG 3.95Å; V209-M245 HydrophobicContact CB-SD 4.28Å; V209-M245 HydrophobicContact CG1-CE 4.29Å; V209-M245 HydrophobicContact CG1-SD 3.94Å; V209-M245 HydrophobicContact CG2-CB 4.45Å; V209-M245 HydrophobicContact CG2-SD 4.29Å
210E92.9Very high83Confident28 Ų2835.9 Ų35.913%0.13120%0.197CC..EExtended strand (participates in β ladder)trans-98.7122.4172.7-67.9-171.3-153.300110.8V135 I136 A137 S232 V233 N399V135-E210 WeakPolarHBondContact CA-O 3.15Å; I136-E210 HydrophobicContact CD1-CB 4.35Å; I136-E210 HydrophobicContact CG1-CB 3.78Å; I136-E210 PolarHBondContact N-O 2.87Å; A137-E210 HydrophobicContact CB-CB 3.96Å; A137-E210 HydrophobicContact CB-CG 4.15Å; A137-E210 PolarHBondContact O-N 3.32Å; E210-S232 PolarHBondContact OE2-OG 2.94Å; E210-V233 WeakPolarHBondContact CA-O 3.31Å; E210-N399 PolarHBondContact OE1-ND2 2.94Å
211L93.2Very high83Confident0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-107.7132.7179.1-161.974.4000109.8L116 M131 G133 A134 V135 S232 V233 L235 M245L116-L211 HydrophobicContact CD1-CD2 3.83Å; L116-L211 HydrophobicContact CD1-CG 3.99Å; M131-L211 HydrophobicContact CG-CD2 3.88Å; M131-L211 HydrophobicContact SD-CD2 4.31Å; G133-L211 VanDerWaalsContact C-CD1 3.4Å; G133-L211 WeakPolarHBondContact O-CD1 3.32Å; A134-L211 WeakPolarHBondContact O-CA 3.46Å; V135-L211 HydrophobicContact CG2-CD1 4.13Å; L211-S232 CarbonylContact O-C 3.59Å; L211-S232 VanDerWaalsContact O-CA 3.3Å; L211-S232 WeakPolarHBondContact O-CA 3.33Å; L211-V233 PolarHBondContact N-O 2.88Å; L211-V233 PolarHBondContact O-N 3.41Å; L211-L235 HydrophobicContact CB-CD1 3.97Å; L211-L235 HydrophobicContact CB-CG 4.25Å; L211-L235 HydrophobicContact CD2-CD1 4.11Å; L211-L235 HydrophobicContact CG-CD1 4.43Å; L211-M245 HydrophobicContact CD1-CE 4.14Å
212I92.1Very high82.9Confident24 Ų2436.6 Ų36.612%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-119.5154174.7-158.9168.3000110.9G133 A134 I136 A216G133-I212 CarbonylContact C-O 3.47Å; G133-I212 WeakPolarHBondContact CA-O 3.26Å; A134-I212 HydrophobicContact CB-CG2 4.12Å; A134-I212 PolarHBondContact N-O 3.04Å; A134-I212 PolarHBondContact O-N 3.46Å; I136-I212 HydrophobicContact CD1-CB 4.34Å; I136-I212 HydrophobicContact CD1-CD1 4.44Å; I136-I212 HydrophobicContact CG2-CB 4Å; I136-I212 HydrophobicContact CG2-CG2 3.36Å; I212-A216 HydrophobicContact CD1-CB 3.67Å; I212-A216 HydrophobicContact CG1-CB 3.81Å; I212-A216 HydrophobicContact CG2-CB 4.21Å
213H90.2Very high82.9Confident26 Ų2639.9 Ų39.912%0.1221%0.207CC..  trans-56.3143.3174.2-163.1-103.8000112D115 L116 E215 A216 Y230D115-H213 IonicContact OD1-CD2 2.65Å; D115-H213 PolarHBondContact OD1-CD2 3.08Å; D115-H213 VanDerWaalsContact OD1-CD2 3.27Å; D115-H213 IonicContact OD1-NE2 3.7Å; D115-H213 PolarHBondContact OD1-NE2 3.08Å; L116-H213 HydrophobicContact CB-CB 3.87Å; H213-E215 VanDerWaalsContact C-N 3.31Å; H213-E215 IonicContact CE1-OE2 3.89Å; H213-E215 WeakPolarHBondContact ND1-CB 3.37Å; H213-E215 PolarHBondContact ND1-N 3.42Å; H213-E215 IonicContact ND1-OE2 3.74Å; H213-E215 PolarHBondContact O-N 3.33Å; H213-A216 WeakPolarHBondContact O-CB 3.47Å; H213-A216 PolarHBondContact O-N 3.08Å; H213-Y230 HydrophobicContact CB-CD1 3.71Å; H213-Y230 HydrophobicContact CB-CE1 4.07Å; H213-Y230 AromaticContact ND1-CE1 3.92Å
214V85.9Confident82.6Confident27 Ų2742.6 Ų42.616%0.16421%0.211CC..THydrogen-bonded Turntrans-60.9-40.5-174.4-172.50000111.8A216 L217 L250 W278V214-A216 PolarHBondContact O-N 3.03Å; V214-A216 VanDerWaalsContact O-N 3.15Å; V214-L217 WeakPolarHBondContact O-CB 3.32Å; V214-L217 PolarHBondContact O-N 3.25Å; V214-L250 HydrophobicContact CB-CD2 4.46Å; V214-L250 HydrophobicContact CG1-CD1 4.32Å; V214-L250 HydrophobicContact CG1-CD2 4.06Å; V214-L250 HydrophobicContact CG2-CD2 3.94Å; V214-W278 HydrophobicContact CB-CZ3 4.37Å; V214-W278 HydrophobicContact CG1-CH2 4.33Å; V214-W278 HydrophobicContact CG1-CZ3 4.09Å; V214-W278 HydrophobicContact CG2-CE3 4.45Å; V214-W278 HydrophobicContact CG2-CH2 3.84Å; V214-W278 HydrophobicContact CG2-CZ3 3.43Å; V214-W278 VanDerWaalsContact CG2-CZ3 3.43Å
215E85Confident81.8Confident96 Ų9652.3 Ų52.345%0.44926%0.256SS..THydrogen-bonded Turntrans-65.1-15.8178.8-63.1179.3167.700113.3H213 L217 D218 Y230H213-E215 VanDerWaalsContact C-N 3.31Å; H213-E215 IonicContact CE1-OE2 3.89Å; H213-E215 WeakPolarHBondContact ND1-CB 3.37Å; H213-E215 PolarHBondContact ND1-N 3.42Å; H213-E215 IonicContact ND1-OE2 3.74Å; H213-E215 PolarHBondContact O-N 3.33Å; E215-L217 PolarHBondContact O-N 3.26Å; E215-D218 WeakPolarHBondContact O-CB 3.47Å; E215-D218 PolarHBondContact O-N 3Å; E215-Y230 HydrophobicContact CB-CE1 4.18Å; E215-Y230 WeakPolarHBondContact CB-OH 3.34Å; E215-Y230 PolarHBondContact OE2-OH 3.39Å
216A85.6Confident80.7Confident11 Ų1151.9 Ų51.99%0.09126%0.257CS..Hα-helixtrans-60.4-29.9171.400000111.5I212 H213 V214 D218 V219 Y230I212-A216 HydrophobicContact CD1-CB 3.67Å; I212-A216 HydrophobicContact CG1-CB 3.81Å; I212-A216 HydrophobicContact CG2-CB 4.21Å; H213-A216 WeakPolarHBondContact O-CB 3.47Å; H213-A216 PolarHBondContact O-N 3.08Å; V214-A216 PolarHBondContact O-N 3.03Å; V214-A216 VanDerWaalsContact O-N 3.15Å; A216-D218 VanDerWaalsContact C-N 3.32Å; A216-V219 WeakPolarHBondContact O-CB 3.42Å; A216-V219 PolarHBondContact O-N 3.02Å; A216-Y230 HydrophobicContact CB-CD1 4.16Å; A216-Y230 HydrophobicContact CB-CD2 3.61Å; A216-Y230 HydrophobicContact CB-CE2 4.23Å; A216-Y230 HydrophobicContact CB-CG 3.56Å
217L82.8Confident79.9Confident5 Ų556.2 Ų56.23%0.02629%0.291CS..Hα-helixtrans-71.4-26.3174.8-58.9178.6000112.2A134 V214 E215 V219 L220 R221A134-L217 HydrophobicContact CB-CD1 3.92Å; A134-L217 HydrophobicContact CB-CG 4.42Å; V214-L217 WeakPolarHBondContact O-CB 3.32Å; V214-L217 PolarHBondContact O-N 3.25Å; E215-L217 PolarHBondContact O-N 3.26Å; L217-V219 VanDerWaalsContact C-N 3.28Å; L217-V219 PolarHBondContact O-N 3.31Å; L217-L220 HydrophobicContact CD2-CD1 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.48Å; L217-L220 PolarHBondContact O-N 3.35Å; L217-L220 VanDerWaalsContact O-N 3.11Å; L217-R221 PolarHBondContact O-N 3.23Å
218D81.2Confident79.1Confident58 Ų5863.2 Ų63.231%0.3132%0.321SS..Hα-helixtrans-69.9-27.6177.3-68.6-36.7000112.4E215 A216 L220 R221E215-D218 WeakPolarHBondContact O-CB 3.47Å; E215-D218 PolarHBondContact O-N 3Å; A216-D218 VanDerWaalsContact C-N 3.32Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 2.99Å; D218-R221 WeakPolarHBondContact O-CB 3.34Å; D218-R221 PolarHBondContact O-N 2.76Å; D218-R221 WeakPolarHBondContact OD1-CD 3.46Å; D218-R221 IonicContact OD1-CZ 2.91Å; D218-R221 VanDerWaalsContact OD1-CZ 3.26Å; D218-R221 IonicContact OD1-NE 3.55Å; D218-R221 PolarHBondContact OD1-NE 3.35Å; D218-R221 IonicContact OD1-NH1 3.33Å; D218-R221 PolarHBondContact OD1-NH1 3.46Å; D218-R221 IonicContact OD1-NH2 3.15Å
219V81.9Confident78.6Confident51 Ų5173.7 Ų73.731%0.30936%0.361SS..Hα-helixtrans-61.4-41170-177.10000110.1A216 L217 R221 G222 Y230A216-V219 WeakPolarHBondContact O-CB 3.42Å; A216-V219 PolarHBondContact O-N 3.02Å; L217-V219 VanDerWaalsContact C-N 3.28Å; L217-V219 PolarHBondContact O-N 3.31Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 2.82Å; V219-G222 PolarHBondContact O-N 3.38Å; V219-Y230 HydrophobicContact CG2-CD2 4.36Å; V219-Y230 HydrophobicContact CG2-CE2 3.78Å
220L81.9Confident78.2Confident43 Ų4375.9 Ų75.923%0.22537%0.369CS..Hα-helixtrans-72.3-18.3177.9-58.8178000112.9L217 D218 G222 V376 R377 L407L217-L220 HydrophobicContact CD2-CD1 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.48Å; L217-L220 PolarHBondContact O-N 3.35Å; L217-L220 VanDerWaalsContact O-N 3.11Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 2.99Å; L220-G222 PolarHBondContact O-N 3.43Å; L220-V376 HydrophobicContact CB-CG1 4.14Å; L220-V376 HydrophobicContact CD1-CG1 4.14Å; L220-R377 WeakPolarHBondContact O-CA 3.14Å; L220-R377 WeakPolarHBondContact O-CB 3.39Å; L220-R377 PolarHBondContact O-N 2.94Å; L220-L407 HydrophobicContact CD1-CD1 4.02Å
221R79.1Confident77.8Confident40 Ų4081.2 Ų81.215%0.15139%0.394CS..THydrogen-bonded Turntrans-72.9-14.7171.4-66.7173.9-166-167.4-0.8113L217 D218 V219 R223 C373 G375L217-R221 PolarHBondContact O-N 3.23Å; D218-R221 WeakPolarHBondContact O-CB 3.34Å; D218-R221 PolarHBondContact O-N 2.76Å; D218-R221 WeakPolarHBondContact OD1-CD 3.46Å; D218-R221 IonicContact OD1-CZ 2.91Å; D218-R221 VanDerWaalsContact OD1-CZ 3.26Å; D218-R221 IonicContact OD1-NE 3.55Å; D218-R221 PolarHBondContact OD1-NE 3.35Å; D218-R221 IonicContact OD1-NH1 3.33Å; D218-R221 PolarHBondContact OD1-NH1 3.46Å; D218-R221 IonicContact OD1-NH2 3.15Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 2.82Å; R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 HydrophobicContact CB-CB 4.44Å; R221-C373 PolarHBondContact NH2-O 2.63Å; R221-G375 WeakPolarHBondContact CG-O 3.22Å
222G68.3Low77.6Confident59 Ų5983 Ų8361%0.60841%0.406SS*.THydrogen-bonded Turntrans76.912.3-173.300000113.8V219 L220V219-G222 PolarHBondContact O-N 3.38Å; L220-G222 PolarHBondContact O-N 3.43Å
223R57.5Low77.5Confident122 Ų12282.4 Ų82.446%0.4640%0.404SS..SBendtrans-74.7-28.1-171.5-141.3175.9-173.6-143.6-4.9112.7R221R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 HydrophobicContact CB-CB 4.44Å
224R55.6Low77.5Confident214 Ų21481.3 Ų81.381%0.80840%0.399SS*.  trans-157.2136.6173.7-65.2-168.9174.8171.4-1.9111.7S226R224-S226 PolarHBondContact O-N 3.28Å; R224-S226 VanDerWaalsContact O-N 3.17Å
225Q56.6Low77.7Confident206 Ų20680 Ų8096%0.96339%0.392SS*.  trans-74.398.1160.3-70.3179.6-2.200107.5
226S63.4Low77.9Confident43 Ų4377.2 Ų77.230%0.30138%0.378SS..  trans-81.2137.5169.361.40000109.7R224 F228R224-S226 PolarHBondContact O-N 3.28Å; R224-S226 VanDerWaalsContact O-N 3.17Å; S226-F228 PolarHBondContact O-N 3.36Å
227S70.4Confident78.2Confident117 Ų11776.7 Ų76.782%0.81837%0.374SS*.SBendtrans-72.5-3.8168.455.20000113.1
228F73.8Confident78.4Confident153 Ų15377.7 Ų77.767%0.67138%0.377SS*.  trans-84.6140.5-179.6-60.2-71.8000111.3S226S226-F228 PolarHBondContact O-N 3.36Å
229R79.5Confident78.6Confident224 Ų22476.2 Ų76.285%0.84537%0.369SS*.  trans-105116.9169.7179.3176.7178.1166.20.1108.4
230Y85.1Confident78.8Confident46 Ų4679.8 Ų79.818%0.1838%0.382CS..  trans-73.8136.5171.3-62.2-82.8000110H213 E215 A216 V219H213-Y230 HydrophobicContact CB-CD1 3.71Å; H213-Y230 HydrophobicContact CB-CE1 4.07Å; H213-Y230 AromaticContact ND1-CE1 3.92Å; E215-Y230 HydrophobicContact CB-CE1 4.18Å; E215-Y230 WeakPolarHBondContact CB-OH 3.34Å; E215-Y230 PolarHBondContact OE2-OH 3.39Å; A216-Y230 HydrophobicContact CB-CD1 4.16Å; A216-Y230 HydrophobicContact CB-CD2 3.61Å; A216-Y230 HydrophobicContact CB-CE2 4.23Å; A216-Y230 HydrophobicContact CB-CG 3.56Å; V219-Y230 HydrophobicContact CG2-CD2 4.36Å; V219-Y230 HydrophobicContact CG2-CE2 3.78Å
231Q85.3Confident79.1Confident141 Ų14179.2 Ų79.266%0.65938%0.379SS*.  trans-107.8144.4174.6-64.8-173.5-500109.3
232S89.2Confident79.5Confident36 Ų3677.8 Ų77.825%0.25238%0.375SS..  trans-85.9150.9173.862.40000111.2E210 L211E210-S232 PolarHBondContact OE2-OG 2.94Å; L211-S232 CarbonylContact O-C 3.59Å; L211-S232 VanDerWaalsContact O-CA 3.3Å; L211-S232 WeakPolarHBondContact O-CA 3.33Å
233V89.1Confident80.4Confident13 Ų1381.3 Ų81.38%0.07938%0.376CS..EExtended strand (participates in β ladder)trans-113.7129.9176.4175.20000108.4L116 E210 L211 L235 W268 V270L116-V233 HydrophobicContact CD2-CB 4.19Å; L116-V233 HydrophobicContact CD2-CG2 3.61Å; E210-V233 WeakPolarHBondContact CA-O 3.31Å; L211-V233 PolarHBondContact N-O 2.88Å; L211-V233 PolarHBondContact O-N 3.41Å; V233-L235 HydrophobicContact CG1-CD2 4.31Å; V233-W268 HydrophobicContact CB-CZ3 3.96Å; V233-W268 HydrophobicContact CG1-CE3 4.17Å; V233-W268 HydrophobicContact CG1-CH2 3.65Å; V233-W268 HydrophobicContact CG1-CZ3 3.25Å; V233-W268 HydrophobicContact CG2-CH2 4.26Å; V233-W268 HydrophobicContact CG2-CZ3 3.53Å; V233-V270 HydrophobicContact CG1-CG2 3.87Å
234T89.3Confident82Confident3 Ų377.7 Ų77.72%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-88124.4177.1-55.90000110.7L208 V209 S269 V270 R393L208-T234 HydrophobicContact CB-CG2 4.16Å; L208-T234 HydrophobicContact CD2-CG2 4.07Å; L208-T234 HydrophobicContact CG-CG2 4.32Å; V209-T234 CarbonylContact O-C 3.57Å; V209-T234 WeakPolarHBondContact O-CA 3.46Å; T234-S269 WeakPolarHBondContact O-CA 3.36Å; T234-V270 PolarHBondContact O-N 3.01Å; T234-R393 VanDerWaalsContact CB-NH1 3.29Å; T234-R393 WeakPolarHBondContact OG1-CD 3.5Å; T234-R393 PolarHBondContact OG1-NE 3.4Å; T234-R393 VanDerWaalsContact OG1-NE 3.1Å; T234-R393 PolarHBondContact OG1-NH1 3.44Å; T234-R393 PolarHBondContact OG1-NH2 3.33Å
235L91.3Very high83.7Confident0 Ų067.7 Ų67.70%033%0.332CS..EExtended strand (participates in β ladder)trans-100135174-52.6-180000109.7M131 L208 V209 L211 V233 M245 V253 V270M131-L235 HydrophobicContact SD-CD2 3.81Å; L208-L235 CarbonylContact C-O 3.54Å; L208-L235 WeakPolarHBondContact CA-O 3.48Å; V209-L235 HydrophobicContact CB-CB 4.34Å; V209-L235 PolarHBondContact N-O 3.16Å; V209-L235 PolarHBondContact O-N 2.86Å; L211-L235 HydrophobicContact CB-CD1 3.97Å; L211-L235 HydrophobicContact CB-CG 4.25Å; L211-L235 HydrophobicContact CD2-CD1 4.11Å; L211-L235 HydrophobicContact CG-CD1 4.43Å; V233-L235 HydrophobicContact CG1-CD2 4.31Å; L235-M245 HydrophobicContact CD1-CE 4.05Å; L235-M245 HydrophobicContact CD1-SD 4.14Å; L235-V253 HydrophobicContact CD1-CB 4.44Å; L235-V253 HydrophobicContact CD1-CG1 4.25Å; L235-V253 HydrophobicContact CD1-CG2 3.95Å; L235-V270 CarbonylContact C-O 3.43Å; L235-V270 VanDerWaalsContact CA-O 3.24Å; L235-V270 WeakPolarHBondContact CA-O 3.35Å; L235-V270 HydrophobicContact CD2-CB 3.71Å; L235-V270 HydrophobicContact CD2-CG1 4.16Å; L235-V270 HydrophobicContact CD2-CG2 4.34Å
236F89.8Confident85.4Confident37 Ų3760.6 Ų60.616%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-95.9114.9166.7-72.7-91.2000109L208 V270 E271 A272L208-F236 HydrophobicContact CD1-CD1 4.02Å; L208-F236 HydrophobicContact CD1-CE1 3.87Å; L208-F236 HydrophobicContact CD2-CD1 4.46Å; L208-F236 HydrophobicContact CD2-CE1 3.77Å; L208-F236 HydrophobicContact CD2-CZ 3.98Å; L208-F236 HydrophobicContact CG-CD1 3.89Å; L208-F236 HydrophobicContact CG-CE1 3.68Å; L208-F236 HydrophobicContact CG-CZ 4.27Å; F236-V270 PolarHBondContact N-O 2.85Å; F236-E271 HydrophobicContact CB-CG 4.48Å; F236-A272 PolarHBondContact O-N 2.9Å
237L90.9Very high86.7Confident0 Ų059.2 Ų59.20%029%0.292CS..EExtended strand (participates in β ladder)trans-95.8134.7168.2-51.8-175.8000108.4K206 Q207 V209 L241 M245 A272 V275K206-L237 CarbonylContact C-O 3.51Å; K206-L237 WeakPolarHBondContact CA-O 3.39Å; Q207-L237 HydrophobicContact CB-CB 4.31Å; Q207-L237 PolarHBondContact N-O 3.37Å; Q207-L237 PolarHBondContact O-N 3.02Å; V209-L237 HydrophobicContact CG2-CD1 3.5Å; V209-L237 VanDerWaalsContact CG2-CD1 3.5Å; V209-L237 HydrophobicContact CG2-CG 3.95Å; L237-L241 HydrophobicContact CB-CB 4.21Å; L237-L241 WeakPolarHBondContact CD1-O 3.49Å; L237-M245 HydrophobicContact CD1-CB 4.11Å; L237-M245 HydrophobicContact CD1-CG 3.85Å; L237-M245 HydrophobicContact CD1-SD 3.81Å; L237-M245 HydrophobicContact CD2-SD 3.91Å; L237-M245 HydrophobicContact CG-SD 4.36Å; L237-A272 HydrophobicContact CD2-CB 3.42Å; L237-A272 VanDerWaalsContact CD2-CB 3.42Å; L237-V275 HydrophobicContact CD2-CG2 4.14Å
238R87.3Confident87.6Confident26 Ų2653.7 Ų53.710%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-129.3145.7179.1-61.1-175.3-176.9-75.9-1111.6Y144 H169 D205 E240 L241 E271Y144-R238 HydrophobicContact CE1-CB 4.26Å; Y144-R238 HydrophobicContact CE1-CG 4.33Å; H169-R238 VanDerWaalsContact CE1-CZ 3.45Å; H169-R238 PolarHBondContact CE1-NH2 3.13Å; H169-R238 PolarHBondContact NE2-NE 2.9Å; H169-R238 PolarHBondContact NE2-NH2 3.28Å; D205-R238 CarbonylContact O-C 3.3Å; D205-R238 VanDerWaalsContact O-CA 3.3Å; D205-R238 WeakPolarHBondContact O-CA 3.42Å; R238-E240 PolarHBondContact O-N 2.93Å; R238-L241 PolarHBondContact O-N 3.47Å; R238-L241 VanDerWaalsContact O-N 3.07Å; R238-E271 IonicContact NE-OE1 2.88Å; R238-E271 IonicContact NE-OE2 2.7Å
239D85.9Confident88.4Confident26 Ų2650.6 Ų50.614%0.13924%0.237CC..G310 helixtrans54-117.1172.2-37.8-68.2000110.9R42 Y144 D205 L241 C242R42-D239 IonicContact CZ-OD2 2.72Å; R42-D239 VanDerWaalsContact NH1-CG 3.33Å; R42-D239 IonicContact NH1-OD1 3.72Å; R42-D239 IonicContact NH1-OD2 3.5Å; R42-D239 PolarHBondContact NH1-OD2 3.43Å; R42-D239 IonicContact NH2-OD2 3.11Å; Y144-D239 WeakPolarHBondContact CE1-OD1 3.34Å; Y144-D239 VanDerWaalsContact OH-CG 3.29Å; Y144-D239 PolarHBondContact OH-OD1 2.88Å; Y144-D239 PolarHBondContact OH-OD2 2.98Å; D205-D239 PolarHBondContact O-N 3.34Å; D239-L241 PolarHBondContact O-N 2.68Å; D239-L241 VanDerWaalsContact O-N 3.12Å; D239-C242 VanDerWaalsContact O-CB 3.23Å; D239-C242 WeakPolarHBondContact O-CB 3.28Å; D239-C242 PolarHBondContact O-N 2.92Å
240E84.9Confident88.9Confident126 Ų12640.5 Ų40.559%0.58920%0.199SC*.G310 helixtrans-62.2-21-178.7-56.8-179.4-140.700114.7R44 R238 C242R44-E240 WeakPolarHBondContact CD-OE1 3.35Å; R44-E240 IonicContact CZ-OE1 3.38Å; R44-E240 IonicContact CZ-OE2 2.73Å; R44-E240 VanDerWaalsContact CZ-OE2 3.29Å; R44-E240 IonicContact NE-OE1 3.84Å; R44-E240 IonicContact NH1-OE1 2.77Å; R44-E240 PolarHBondContact NH1-OE1 3.15Å; R44-E240 IonicContact NH1-OE2 2.91Å; R44-E240 PolarHBondContact NH1-OE2 3.38Å; R44-E240 IonicContact NH2-OE2 3.28Å; R238-E240 PolarHBondContact O-N 2.93Å; E240-C242 VanDerWaalsContact C-N 3.29Å
241L87.9Confident89.3Confident31 Ų3138.7 Ų38.716%0.16219%0.192CC..G310 helixtrans-80.3-13.6176.3-63.6179000112.1L237 R238 D239 S244 A272 V275L237-L241 HydrophobicContact CB-CB 4.21Å; L237-L241 WeakPolarHBondContact CD1-O 3.49Å; R238-L241 PolarHBondContact O-N 3.47Å; R238-L241 VanDerWaalsContact O-N 3.07Å; D239-L241 PolarHBondContact O-N 2.68Å; D239-L241 VanDerWaalsContact O-N 3.12Å; L241-S244 VanDerWaalsContact O-CB 3.26Å; L241-S244 WeakPolarHBondContact O-CB 3.5Å; L241-S244 PolarHBondContact O-N 2.91Å; L241-S244 VanDerWaalsContact O-N 3.17Å; L241-S244 PolarHBondContact O-OG 3.48Å; L241-A272 HydrophobicContact CD1-CB 4.2Å; L241-A272 WeakPolarHBondContact CD1-O 3.19Å; L241-V275 HydrophobicContact CD2-CG2 4.39Å
242C88Confident89.6Confident10 Ų1036.7 Ų36.77%0.06818%0.179CC..THydrogen-bonded Turntrans-59.6141.4171.6-66.20000109.7V141 D205 D239 E240 S244V141-C242 HydrophobicContact CG2-CB 4.35Å; D205-C242 VanDerWaalsContact C-SG 3.54Å; D205-C242 HydrophobicContact CB-CB 4.3Å; D205-C242 PolarHBondContact O-SG 3.02Å; D205-C242 VanDerWaalsContact O-SG 3.38Å; D239-C242 VanDerWaalsContact O-CB 3.23Å; D239-C242 WeakPolarHBondContact O-CB 3.28Å; D239-C242 PolarHBondContact O-N 2.92Å; E240-C242 VanDerWaalsContact C-N 3.29Å; C242-S244 PolarHBondContact O-N 2.9Å; C242-S244 VanDerWaalsContact O-N 3.11Å
243H88.3Confident89.8Confident134 Ų13435 Ų3562%0.6217%0.167SC*.THydrogen-bonded Turntrans65.7-1.3-174-49.6-73000116.8V141 M245V141-H243 WeakPolarHBondContact CG2-CE1 3.42Å; V141-H243 WeakPolarHBondContact CG2-NE2 3.37Å; H243-M245 PolarHBondContact O-N 3.47Å
244S90.3Very high90Very high45 Ų4534.9 Ų34.932%0.31517%0.166SC..  trans-67.9-22.7177.665.90000113.6L241 C242 Y251L241-S244 VanDerWaalsContact O-CB 3.26Å; L241-S244 WeakPolarHBondContact O-CB 3.5Å; L241-S244 PolarHBondContact O-N 2.91Å; L241-S244 VanDerWaalsContact O-N 3.17Å; L241-S244 PolarHBondContact O-OG 3.48Å; C242-S244 PolarHBondContact O-N 2.9Å; C242-S244 VanDerWaalsContact O-N 3.11Å; S244-Y251 PolarHBondContact O-OH 3.41Å
245M92.4Very high90Very high5 Ų534.7 Ų34.73%0.02517%0.165CC..  trans-109.3135.6-177.6-61.7-175.290.600111.8V135 V209 L211 L235 L237 H243 Y251 V253 V275V135-M245 HydrophobicContact CG2-CB 4.32Å; V135-M245 HydrophobicContact CG2-CE 3.58Å; V209-M245 HydrophobicContact CB-SD 4.28Å; V209-M245 HydrophobicContact CG1-CE 4.29Å; V209-M245 HydrophobicContact CG1-SD 3.94Å; V209-M245 HydrophobicContact CG2-CB 4.45Å; V209-M245 HydrophobicContact CG2-SD 4.29Å; L211-M245 HydrophobicContact CD1-CE 4.14Å; L235-M245 HydrophobicContact CD1-CE 4.05Å; L235-M245 HydrophobicContact CD1-SD 4.14Å; L237-M245 HydrophobicContact CD1-CB 4.11Å; L237-M245 HydrophobicContact CD1-CG 3.85Å; L237-M245 HydrophobicContact CD1-SD 3.81Å; L237-M245 HydrophobicContact CD2-SD 3.91Å; L237-M245 HydrophobicContact CG-SD 4.36Å; H243-M245 PolarHBondContact O-N 3.47Å; M245-Y251 WeakPolarHBondContact CA-OH 3.31Å; M245-Y251 HydrophobicContact CB-CE2 4.15Å; M245-Y251 HydrophobicContact CE-CD1 4.33Å; M245-Y251 HydrophobicContact CE-CD2 3.66Å; M245-Y251 HydrophobicContact CE-CE2 4.43Å; M245-Y251 HydrophobicContact CE-CG 3.59Å; M245-Y251 HydrophobicContact CG-CD1 4.35Å; M245-Y251 HydrophobicContact CG-CD2 4.43Å; M245-Y251 HydrophobicContact CG-CE1 4.32Å; M245-Y251 HydrophobicContact CG-CE2 4.39Å; M245-Y251 HydrophobicContact CG-CG 4.41Å; M245-V253 HydrophobicContact CE-CG2 3.79Å; M245-V275 HydrophobicContact CE-CG1 4.35Å; M245-V275 HydrophobicContact CG-CG1 3.65Å; M245-V275 HydrophobicContact SD-CG1 4.17Å; M245-V275 HydrophobicContact SD-CG2 4.39Å
246T91Very high89.8Confident57 Ų5735.2 Ų35.235%0.3517%0.168SC..  trans-115.7145.5175.862.10000111.7V135 G248 R249 Y251V135-T246 WeakPolarHBondContact CB-O 3.33Å; T246-G248 PolarHBondContact O-N 3.31Å; T246-R249 PolarHBondContact O-N 3.46Å; T246-R249 WeakPolarHBondContact OG1-CD 3.38Å; T246-R249 VanDerWaalsContact OG1-CG 3.25Å; T246-R249 WeakPolarHBondContact OG1-CG 3.41Å; T246-Y251 PolarHBondContact N-OH 3.28Å; T246-Y251 PolarHBondContact OG1-OH 3.28Å
247I91.3Very high89.6Confident14 Ų1434.1 Ų34.17%0.07216%0.164CC..THydrogen-bonded Turntrans-59.5136.9179.2-57.2177.7000110.3I138 R249 I400 A402 L406 F457I138-I247 HydrophobicContact CB-CG1 4.48Å; I138-I247 HydrophobicContact CD1-CD1 3.86Å; I138-I247 HydrophobicContact CD1-CG1 3.73Å; I138-I247 HydrophobicContact CG1-CD1 3.74Å; I138-I247 HydrophobicContact CG1-CG1 3.8Å; I138-I247 HydrophobicContact CG2-CG1 3.98Å; I247-R249 PolarHBondContact O-N 2.76Å; I247-I400 HydrophobicContact CD1-CG2 4.32Å; I247-A402 HydrophobicContact CG2-CB 3.31Å; I247-L406 HydrophobicContact CG2-CB 4.04Å; I247-L406 HydrophobicContact CG2-CD1 4.34Å; I247-F457 HydrophobicContact CD1-CD1 4.04Å; I247-F457 HydrophobicContact CD1-CE1 3.74Å; I247-F457 HydrophobicContact CD1-CZ 4.14Å
248G88.6Confident89.1Confident0 Ų034.4 Ų34.40%017%0.166CC..THydrogen-bonded Turntrans82-8.3175.700000115V135 T246 R374 L406V135-G248 PolarHBondContact O-N 3.19Å; T246-G248 PolarHBondContact O-N 3.31Å; G248-R374 PolarHBondContact O-NH1 3.07Å; G248-L406 VanDerWaalsContact CA-O 3.31Å; G248-L406 WeakPolarHBondContact CA-O 3.46Å
249R90.3Very high88.7Confident89 Ų8936.4 Ų36.434%0.33618%0.178SC..  trans-89.4162.7174.2-66-159.7-174-175.1-7.7111.9V135 T246 I247 Y251V135-R249 PolarHBondContact N-O 3.08Å; T246-R249 PolarHBondContact O-N 3.46Å; T246-R249 WeakPolarHBondContact OG1-CD 3.38Å; T246-R249 VanDerWaalsContact OG1-CG 3.25Å; T246-R249 WeakPolarHBondContact OG1-CG 3.41Å; I247-R249 PolarHBondContact O-N 2.76Å; R249-Y251 HydrophobicContact CB-CD2 4.37Å; R249-Y251 HydrophobicContact CB-CE2 3.62Å
250L90.8Very high88Confident11 Ų1136.4 Ų36.46%0.05818%0.179CC..EExtended strand (participates in β ladder)trans-104.3137-178.3-78.3172.5000109.5G133 A134 V214 W278 P280G133-L250 WeakPolarHBondContact O-CA 3.34Å; G133-L250 WeakPolarHBondContact O-CD2 3.31Å; A134-L250 HydrophobicContact CB-CD2 3.61Å; V214-L250 HydrophobicContact CB-CD2 4.46Å; V214-L250 HydrophobicContact CG1-CD1 4.32Å; V214-L250 HydrophobicContact CG1-CD2 4.06Å; V214-L250 HydrophobicContact CG2-CD2 3.94Å; L250-W278 CarbonylContact C-O 3.58Å; L250-W278 HydrophobicContact CB-CE3 3.93Å; L250-W278 HydrophobicContact CB-CZ3 4.43Å; L250-W278 WeakPolarHBondContact CB-O 3.36Å; L250-W278 HydrophobicContact CD1-CE3 4.24Å; L250-W278 HydrophobicContact CD1-CZ3 3.98Å; L250-W278 HydrophobicContact CD2-CE3 4.33Å; L250-W278 HydrophobicContact CD2-CZ3 4.11Å; L250-W278 HydrophobicContact CG-CE3 4.39Å; L250-W278 HydrophobicContact CG-CZ3 4.41Å; L250-W278 PolarHBondContact O-N 3.33Å; L250-P280 HydrophobicContact CD1-CG 4.11Å
251Y92.9Very high87.2Confident8 Ų836 Ų363%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-138.3146.2-176.7-69.8-90.1000110.9E132 G133 V135 S244 M245 T246 R249 V275 Q276 P277E132-Y251 WeakPolarHBondContact CA-O 3.34Å; G133-Y251 PolarHBondContact N-O 2.97Å; G133-Y251 VanDerWaalsContact N-O 3.1Å; G133-Y251 PolarHBondContact O-N 2.99Å; V135-Y251 HydrophobicContact CG2-CD2 3.68Å; V135-Y251 HydrophobicContact CG2-CE2 3.96Å; S244-Y251 PolarHBondContact O-OH 3.41Å; M245-Y251 WeakPolarHBondContact CA-OH 3.31Å; M245-Y251 HydrophobicContact CB-CE2 4.15Å; M245-Y251 HydrophobicContact CE-CD1 4.33Å; M245-Y251 HydrophobicContact CE-CD2 3.66Å; M245-Y251 HydrophobicContact CE-CE2 4.43Å; M245-Y251 HydrophobicContact CE-CG 3.59Å; M245-Y251 HydrophobicContact CG-CD1 4.35Å; M245-Y251 HydrophobicContact CG-CD2 4.43Å; M245-Y251 HydrophobicContact CG-CE1 4.32Å; M245-Y251 HydrophobicContact CG-CE2 4.39Å; M245-Y251 HydrophobicContact CG-CG 4.41Å; T246-Y251 PolarHBondContact N-OH 3.28Å; T246-Y251 PolarHBondContact OG1-OH 3.28Å; R249-Y251 HydrophobicContact CB-CD2 4.37Å; R249-Y251 HydrophobicContact CB-CE2 3.62Å; Y251-V275 HydrophobicContact CD1-CG1 3.51Å; Y251-V275 HydrophobicContact CE1-CG1 4.06Å; Y251-V275 HydrophobicContact CG-CG1 4.23Å; Y251-Q276 CarbonylContact C-O 3.6Å; Y251-Q276 WeakPolarHBondContact CA-O 3.22Å; Y251-P277 HydrophobicContact CE1-CB 4.47Å; Y251-P277 HydrophobicContact CE1-CG 4.2Å
252R93.1Very high86.2Confident100 Ų10040.1 Ų40.138%0.37720%0.195SC..EExtended strand (participates in β ladder)trans-98.4123.7160.9-174.4172.3-175.6177.15.5108S130 M131 E132 Q276 W278S130-R252 PolarHBondContact OG-NE 3.35Å; M131-R252 WeakPolarHBondContact O-CA 3.42Å; E132-R252 HydrophobicContact CG-CB 4.15Å; E132-R252 HydrophobicContact CG-CG 3.96Å; E132-R252 IonicContact OE1-NE 3.68Å; R252-Q276 PolarHBondContact N-O 3.35Å; R252-Q276 PolarHBondContact O-N 3.27Å; R252-W278 HydrophobicContact CB-CB 4Å; R252-W278 HydrophobicContact CB-CG 4.39Å
253V93Very high84.6Confident0 Ų051.1 Ų51.10%024%0.236CC..EExtended strand (participates in β ladder)trans-120.3130.5-176.8-178.40000108.5S130 M131 L235 M245 A272 S274 V275S130-V253 CarbonylContact C-O 3.59Å; S130-V253 VanDerWaalsContact CA-O 3.31Å; S130-V253 WeakPolarHBondContact CA-O 3.42Å; M131-V253 HydrophobicContact CG-CB 4.15Å; M131-V253 PolarHBondContact N-O 3.48Å; M131-V253 PolarHBondContact O-N 3.48Å; L235-V253 HydrophobicContact CD1-CB 4.44Å; L235-V253 HydrophobicContact CD1-CG1 4.25Å; L235-V253 HydrophobicContact CD1-CG2 3.95Å; M245-V253 HydrophobicContact CE-CG2 3.79Å; V253-A272 HydrophobicContact CG1-CB 3.94Å; V253-S274 WeakPolarHBondContact CA-O 3.49Å; V253-V275 HydrophobicContact CG1-CG2 4.34Å; V253-V275 HydrophobicContact CG2-CG1 4.47Å; V253-V275 HydrophobicContact CG2-CG2 4.34Å
254V91.8Very high83.6Confident10 Ų1050.5 Ų50.56%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-98.2125.5162.2177.80000107F103 L106 P128 V129 N273 S274F103-V254 HydrophobicContact CB-CG1 4.15Å; L106-V254 HydrophobicContact CD1-CG1 3.7Å; L106-V254 HydrophobicContact CD1-CG2 4.34Å; L106-V254 HydrophobicContact CD2-CG1 4.45Å; L106-V254 HydrophobicContact CG-CG1 3.99Å; L106-V254 HydrophobicContact CG-CG2 4.36Å; P128-V254 HydrophobicContact CB-CG1 4.41Å; V129-V254 CarbonylContact O-C 3.53Å; V129-V254 WeakPolarHBondContact O-CA 3.31Å; V254-N273 WeakPolarHBondContact O-CA 3.45Å; V254-N273 WeakPolarHBondContact O-CB 3.12Å; V254-N273 PolarHBondContact O-N 3.2Å; V254-S274 WeakPolarHBondContact CB-OG 3.42Å; V254-S274 PolarHBondContact N-O 2.89Å; V254-S274 PolarHBondContact O-N 2.73Å; V254-S274 VanDerWaalsContact O-N 3.11Å
255G90.2Very high82.7Confident0 Ų051.1 Ų51.10%025%0.248CC..EExtended strand (participates in β ladder)trans-150.1163.7-178.600000112.7P128 V129 E271P128-G255 CarbonylContact C-O 3.58Å; P128-G255 WeakPolarHBondContact CA-O 3.3Å; V129-G255 WeakPolarHBondContact CG2-O 3.46Å; V129-G255 PolarHBondContact N-O 3.27Å; V129-G255 PolarHBondContact O-N 2.62Å; G255-E271 CarbonylContact C-O 3.56Å; G255-E271 WeakPolarHBondContact CA-O 3Å
256I87.6Confident81.8Confident11 Ų1155.9 Ų55.96%0.05627%0.272CS..EExtended strand (participates in β ladder)trans-101.6121.4179.2-59.8173.9000107.2P67 M126 P128 P171 V258 V270 E271P67-I256 HydrophobicContact CB-CD1 4.42Å; P67-I256 HydrophobicContact CG-CD1 4.3Å; M126-I256 HydrophobicContact CB-CG2 3.84Å; P128-I256 HydrophobicContact CB-CG1 4.39Å; P171-I256 HydrophobicContact CB-CD1 4.1Å; I256-V258 WeakPolarHBondContact O-CG2 2.84Å; I256-V270 WeakPolarHBondContact O-CA 3.38Å; I256-E271 PolarHBondContact N-O 3.04Å; I256-E271 PolarHBondContact O-N 2.78Å
257P86.2Confident81.1Confident14 Ų1455.2 Ų55.29%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-71.9144.7179.930.5-31.4000110.5R127 W268R127-P257 WeakPolarHBondContact O-CD 3.02Å; P257-W268 HydrophobicContact CB-CZ2 3.94Å
258V79.3Confident80.6Confident6 Ų657.5 Ų57.54%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-133.8129-168-173.20000108.8M126 G172 I256 V260 W268 S269 E271M126-V258 HydrophobicContact CE-CG1 4.47Å; G172-V258 WeakPolarHBondContact O-CG1 3.36Å; I256-V258 WeakPolarHBondContact O-CG2 2.84Å; V258-V260 HydrophobicContact CG1-CG2 3.97Å; V258-W268 WeakPolarHBondContact O-CA 3.3Å; V258-S269 WeakPolarHBondContact CA-O 3.48Å; V258-S269 WeakPolarHBondContact CB-O 3.46Å; V258-S269 PolarHBondContact N-O 3.01Å; V258-S269 PolarHBondContact O-N 2.83Å; V258-E271 HydrophobicContact CG2-CB 4.32Å
259L78.2Confident80.4Confident68 Ų6857.7 Ų57.736%0.35628%0.277SS..EExtended strand (participates in β ladder)trans-114.9103.3178.3-16071.2000109.7H261 I266 W268L259-H261 WeakPolarHBondContact CD2-CE1 3.4Å; L259-H261 PolarHBondContact O-ND1 3.47Å; L259-I266 HydrophobicContact CD1-CG2 3.25Å; L259-I266 HydrophobicContact CD2-CG2 3.97Å; L259-I266 HydrophobicContact CG-CG2 3.44Å; L259-I266 VanDerWaalsContact CG-CG2 3.44Å; L259-W268 HydrophobicContact CD1-CB 4.11Å; L259-W268 HydrophobicContact CD1-CG 4.46Å
260V71.4Confident80.3Confident26 Ų2653.5 Ų53.516%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-95.3117.6178.1-175.80000108.6T174 V258 Q262 T267T174-V260 HydrophobicContact CG2-CB 4.36Å; T174-V260 HydrophobicContact CG2-CG1 3.58Å; T174-V260 HydrophobicContact CG2-CG2 3.78Å; V258-V260 HydrophobicContact CG1-CG2 3.97Å; V260-Q262 HydrophobicContact CG1-CG 4.1Å; V260-T267 WeakPolarHBondContact CB-OG1 3.37Å; V260-T267 PolarHBondContact N-O 3.5Å; V260-T267 PolarHBondContact O-N 3.25Å; V260-T267 PolarHBondContact O-OG1 3.46Å
261H69.5Low80.2Confident117 Ų11754 Ų5454%0.54226%0.264SS..EExtended strand (participates in β ladder)trans-91.2110.8178.3-66.275.6000109.3L259L259-H261 WeakPolarHBondContact CD2-CE1 3.4Å; L259-H261 PolarHBondContact O-ND1 3.47Å
262Q65.3Low80.2Confident118 Ų11854 Ų5455%0.55127%0.266SS*.EExtended strand (participates in β ladder)trans-123.980.7173.7-71179.58.200107.9V260 S265V260-Q262 HydrophobicContact CG1-CG 4.1Å; Q262-S265 CarbonylContact C-O 3.55Å; Q262-S265 PolarHBondContact N-O 3.4Å; Q262-S265 CarbonylContact O-C 3.56Å; Q262-S265 PolarHBondContact O-N 3.11Å; Q262-S265 PolarHBondContact O-OG 3.29Å; Q262-S265 VanDerWaalsContact O-OG 3.11Å
263W54.9Low80.1Confident241 Ų24150.2 Ų50.291%0.91325%0.253SS*.THydrogen-bonded Turntrans-44.2124.3-176.5-100.996.1000112.1
264P67.4Low80Confident120 Ų12051.2 Ų51.278%0.77926%0.259SS*.THydrogen-bonded Turncis-93.12.212.937.9-36.1000116.4
265S71.3Confident80Confident59 Ų5952 Ų5241%0.41326%0.264SS..EExtended strand (participates in β ladder)trans-99.3149.1-178.1600000112.6Q262Q262-S265 CarbonylContact C-O 3.55Å; Q262-S265 PolarHBondContact N-O 3.4Å; Q262-S265 CarbonylContact O-C 3.56Å; Q262-S265 PolarHBondContact O-N 3.11Å; Q262-S265 PolarHBondContact O-OG 3.29Å; Q262-S265 VanDerWaalsContact O-OG 3.11Å
266I74.4Confident80Confident104 Ų10456.6 Ų56.653%0.53329%0.286SS..EExtended strand (participates in β ladder)trans-113.9119.3168.4-59.6176.5000106L259L259-I266 HydrophobicContact CD1-CG2 3.25Å; L259-I266 HydrophobicContact CD2-CG2 3.97Å; L259-I266 HydrophobicContact CG-CG2 3.44Å; L259-I266 VanDerWaalsContact CG-CG2 3.44Å
267T74.9Confident80.2Confident44 Ų4461.4 Ų61.427%0.2732%0.318SS..EExtended strand (participates in β ladder)trans-100.7130.9175.852.50000109.3V260V260-T267 WeakPolarHBondContact CB-OG1 3.37Å; V260-T267 PolarHBondContact N-O 3.5Å; V260-T267 PolarHBondContact O-N 3.25Å; V260-T267 PolarHBondContact O-OG1 3.46Å
268W80.4Confident80.1Confident61 Ų6163.6 Ų63.623%0.23132%0.324CS..EExtended strand (participates in β ladder)trans-107.9130.3175.7-176.780.4000109.3L114 V233 P257 V258 L259 V270 R393L114-W268 HydrophobicContact CD2-CH2 3.43Å; L114-W268 VanDerWaalsContact CD2-CH2 3.43Å; L114-W268 HydrophobicContact CD2-CZ2 3.94Å; L114-W268 HydrophobicContact CD2-CZ3 4.49Å; V233-W268 HydrophobicContact CB-CZ3 3.96Å; V233-W268 HydrophobicContact CG1-CE3 4.17Å; V233-W268 HydrophobicContact CG1-CH2 3.65Å; V233-W268 HydrophobicContact CG1-CZ3 3.25Å; V233-W268 HydrophobicContact CG2-CH2 4.26Å; V233-W268 HydrophobicContact CG2-CZ3 3.53Å; P257-W268 HydrophobicContact CB-CZ2 3.94Å; V258-W268 WeakPolarHBondContact O-CA 3.3Å; L259-W268 HydrophobicContact CD1-CB 4.11Å; L259-W268 HydrophobicContact CD1-CG 4.46Å; W268-V270 HydrophobicContact CH2-CG2 3.49Å; W268-V270 VanDerWaalsContact CH2-CG2 3.49Å; W268-V270 HydrophobicContact CZ2-CG2 3.61Å; W268-V270 HydrophobicContact CZ3-CG2 4.25Å; W268-R393 PolarHBondContact O-NH1 2.87Å; W268-R393 VanDerWaalsContact O-NH1 3.09Å
269S85.1Confident79.9Confident5 Ų568.7 Ų68.74%0.03535%0.348CS..EExtended strand (participates in β ladder)trans-147.3168-178.453.80000109.9T234 V258T234-S269 WeakPolarHBondContact O-CA 3.36Å; V258-S269 WeakPolarHBondContact CA-O 3.48Å; V258-S269 WeakPolarHBondContact CB-O 3.46Å; V258-S269 PolarHBondContact N-O 3.01Å; V258-S269 PolarHBondContact O-N 2.83Å
270V88.4Confident79.3Confident0 Ų067.7 Ų67.70%035%0.345CS..EExtended strand (participates in β ladder)trans-127.1132.5-179.2-178.60000108.7M131 V233 T234 L235 F236 I256 W268M131-V270 HydrophobicContact CE-CB 4.26Å; M131-V270 HydrophobicContact CE-CG1 3.69Å; M131-V270 HydrophobicContact CE-CG2 3.85Å; M131-V270 HydrophobicContact SD-CG2 4.3Å; V233-V270 HydrophobicContact CG1-CG2 3.87Å; T234-V270 PolarHBondContact O-N 3.01Å; L235-V270 CarbonylContact C-O 3.43Å; L235-V270 VanDerWaalsContact CA-O 3.24Å; L235-V270 WeakPolarHBondContact CA-O 3.35Å; L235-V270 HydrophobicContact CD2-CB 3.71Å; L235-V270 HydrophobicContact CD2-CG1 4.16Å; L235-V270 HydrophobicContact CD2-CG2 4.34Å; F236-V270 PolarHBondContact N-O 2.85Å; I256-V270 WeakPolarHBondContact O-CA 3.38Å; W268-V270 HydrophobicContact CH2-CG2 3.49Å; W268-V270 VanDerWaalsContact CH2-CG2 3.49Å; W268-V270 HydrophobicContact CZ2-CG2 3.61Å; W268-V270 HydrophobicContact CZ3-CG2 4.25Å
271E89.8Confident78.7Confident22 Ų2273.5 Ų73.510%0.10337%0.371CS..EExtended strand (participates in β ladder)trans-89.4119.6168.9-171.5163.9144.400109.6H169 P171 G172 F236 R238 G255 I256 V258H169-E271 IonicContact NE2-OE1 3.28Å; H169-E271 IonicContact NE2-OE2 2.74Å; H169-E271 PolarHBondContact NE2-OE2 2.8Å; P171-E271 WeakPolarHBondContact CA-OE1 3.48Å; P171-E271 WeakPolarHBondContact CA-OE2 3.4Å; G172-E271 PolarHBondContact N-OE2 3.27Å; F236-E271 HydrophobicContact CB-CG 4.48Å; R238-E271 IonicContact NE-OE1 2.88Å; R238-E271 IonicContact NE-OE2 2.7Å; G255-E271 CarbonylContact C-O 3.56Å; G255-E271 WeakPolarHBondContact CA-O 3Å; I256-E271 PolarHBondContact N-O 3.04Å; I256-E271 PolarHBondContact O-N 2.78Å; V258-E271 HydrophobicContact CG2-CB 4.32Å
272A91.5Very high77.7Confident9 Ų972.9 Ų72.97%0.07438%0.377CS..EExtended strand (participates in β ladder)trans-72.9135.6-177.400000110.6F236 L237 L241 V253 V275F236-A272 PolarHBondContact O-N 2.9Å; L237-A272 HydrophobicContact CD2-CB 3.42Å; L237-A272 VanDerWaalsContact CD2-CB 3.42Å; L241-A272 HydrophobicContact CD1-CB 4.2Å; L241-A272 WeakPolarHBondContact CD1-O 3.19Å; V253-A272 HydrophobicContact CG1-CB 3.94Å; A272-V275 HydrophobicContact CB-CG2 4.21Å
273N91.1Very high76.7Confident20 Ų2072.6 Ų72.611%0.10738%0.379CS..EExtended strand (participates in β ladder)trans-108.9-42.9178.3-175.2-94.6000111.8L101 N102 F103 V254L101-N273 PolarHBondContact O-ND2 3.14Å; N102-N273 VanDerWaalsContact CA-OD1 3.32Å; N102-N273 WeakPolarHBondContact CA-OD1 3.47Å; N102-N273 PolarHBondContact ND2-O 3.25Å; F103-N273 WeakPolarHBondContact CD2-OD1 3.44Å; F103-N273 PolarHBondContact N-OD1 2.94Å; V254-N273 WeakPolarHBondContact O-CA 3.45Å; V254-N273 WeakPolarHBondContact O-CB 3.12Å; V254-N273 PolarHBondContact O-N 3.2Å
274S90.4Very high75.6Confident20 Ų2065 Ų6514%0.1436%0.36CS..EExtended strand (participates in β ladder)trans-141.9145.2170.965.60000110.7F103 V253 V254F103-S274 PolarHBondContact O-OG 3.22Å; F103-S274 VanDerWaalsContact O-OG 3.11Å; V253-S274 WeakPolarHBondContact CA-O 3.49Å; V254-S274 WeakPolarHBondContact CB-OG 3.42Å; V254-S274 PolarHBondContact N-O 2.89Å; V254-S274 PolarHBondContact O-N 2.73Å; V254-S274 VanDerWaalsContact O-N 3.11Å
275V92.3Very high74.1Confident27 Ų2764.6 Ų64.616%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-130.7129.9-176.5177.40000107.6L237 L241 M245 Y251 V253 A272L237-V275 HydrophobicContact CD2-CG2 4.14Å; L241-V275 HydrophobicContact CD2-CG2 4.39Å; M245-V275 HydrophobicContact CE-CG1 4.35Å; M245-V275 HydrophobicContact CG-CG1 3.65Å; M245-V275 HydrophobicContact SD-CG1 4.17Å; M245-V275 HydrophobicContact SD-CG2 4.39Å; Y251-V275 HydrophobicContact CD1-CG1 3.51Å; Y251-V275 HydrophobicContact CE1-CG1 4.06Å; Y251-V275 HydrophobicContact CG-CG1 4.23Å; V253-V275 HydrophobicContact CG1-CG2 4.34Å; V253-V275 HydrophobicContact CG2-CG1 4.47Å; V253-V275 HydrophobicContact CG2-CG2 4.34Å; A272-V275 HydrophobicContact CB-CG2 4.21Å
276Q91.6Very high72.5Confident96 Ų9665.4 Ų65.445%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-132.9132.6178.3-64.61778.200109.3Y251 R252 W278Y251-Q276 CarbonylContact C-O 3.6Å; Y251-Q276 WeakPolarHBondContact CA-O 3.22Å; R252-Q276 PolarHBondContact N-O 3.35Å; R252-Q276 PolarHBondContact O-N 3.27Å; Q276-W278 PolarHBondContact O-N 2.78Å
277P90.1Very high70.8Confident113 Ų11364.5 Ų64.573%0.73438%0.378SS*.EExtended strand (participates in β ladder)trans-55.6135.4168.1-2232.8000109.7Y251Y251-P277 HydrophobicContact CE1-CB 4.47Å; Y251-P277 HydrophobicContact CE1-CG 4.2Å
278W85.7Confident69.4Low60 Ų6070.9 Ų70.923%0.22740%0.397CS..  trans-131.3134.6-179.6174.581000108.9E132 V214 L250 R252 Q276 P280E132-W278 HydrophobicContact CB-CE3 4.43Å; E132-W278 HydrophobicContact CG-CD2 4.48Å; E132-W278 VanDerWaalsContact OE2-CZ2 3.32Å; E132-W278 WeakPolarHBondContact OE2-CZ2 3.49Å; V214-W278 HydrophobicContact CB-CZ3 4.37Å; V214-W278 HydrophobicContact CG1-CH2 4.33Å; V214-W278 HydrophobicContact CG1-CZ3 4.09Å; V214-W278 HydrophobicContact CG2-CE3 4.45Å; V214-W278 HydrophobicContact CG2-CH2 3.84Å; V214-W278 HydrophobicContact CG2-CZ3 3.43Å; V214-W278 VanDerWaalsContact CG2-CZ3 3.43Å; L250-W278 CarbonylContact C-O 3.58Å; L250-W278 HydrophobicContact CB-CE3 3.93Å; L250-W278 HydrophobicContact CB-CZ3 4.43Å; L250-W278 WeakPolarHBondContact CB-O 3.36Å; L250-W278 HydrophobicContact CD1-CE3 4.24Å; L250-W278 HydrophobicContact CD1-CZ3 3.98Å; L250-W278 HydrophobicContact CD2-CE3 4.33Å; L250-W278 HydrophobicContact CD2-CZ3 4.11Å; L250-W278 HydrophobicContact CG-CE3 4.39Å; L250-W278 HydrophobicContact CG-CZ3 4.41Å; L250-W278 PolarHBondContact O-N 3.33Å; R252-W278 HydrophobicContact CB-CB 4Å; R252-W278 HydrophobicContact CB-CG 4.39Å; Q276-W278 PolarHBondContact O-N 2.78Å; W278-P280 HydrophobicContact CH2-CB 3.78Å; W278-P280 HydrophobicContact CH2-CG 4.41Å; W278-P280 HydrophobicContact CZ2-CB 4.1Å; W278-P280 HydrophobicContact CZ3-CB 4.35Å
279E73.6Confident67.7Low113 Ų11377.3 Ų77.353%0.52843%0.426SS..  trans-121.3134.7169.5-66.1-164.8156.500108.6Q281E279-Q281 PolarHBondContact O-N 2.85Å
280P67.3Low66.1Low46 Ų4682 Ų8230%0.29945%0.448SS..  trans-61.6115.3176.322.8-29.6000107.6L250 W278L250-P280 HydrophobicContact CD1-CG 4.11Å; W278-P280 HydrophobicContact CH2-CB 3.78Å; W278-P280 HydrophobicContact CH2-CG 4.41Å; W278-P280 HydrophobicContact CZ2-CB 4.1Å; W278-P280 HydrophobicContact CZ3-CB 4.35Å
281Q57.8Low64.5Low148 Ų14883.4 Ų83.469%0.69246%0.457SS*.  trans-60.7132.3171.2-79.1-175.3-11.200108E279 L283E279-Q281 PolarHBondContact O-N 2.85Å; Q281-L283 PolarHBondContact O-N 3.04Å
282P49.5Very low63.5Low104 Ų10485.2 Ų85.268%0.67547%0.471SS*.SBendtrans-56.6-16.5-172-28.834.7000115.9A547P282-A547 HydrophobicContact CB-CB 4.26Å; P282-A547 HydrophobicContact CG-CB 4.37Å
283L43.1Very low63Low112 Ų11291.2 Ų91.259%0.58649%0.492SS*.SBendtrans-176.4155.9163.9-91.4133.8000107.1Q281 C287Q281-L283 PolarHBondContact O-N 3.04Å; L283-C287 HydrophobicContact CD2-CB 4.17Å
284P32.8Very low62.8Low81 Ų8190.7 Ų90.753%0.52649%0.489SS..  trans-60.9146.6176.820.3-27.9000111.8G286 C287P284-G286 PolarHBondContact O-N 3.15Å; P284-C287 PolarHBondContact O-N 3.34Å
285P36.2Very low62.4Low112 Ų11291.9 Ų91.973%0.72749%0.493SS*.THydrogen-bonded Turntrans-636.3-170.920.4-31.2000117.1
286G37.4Very low62.1Low77 Ų7795.6 Ų95.679%0.79451%0.509SS*.THydrogen-bonded Turntrans-113.3-6.5173.200000115.3P284P284-G286 PolarHBondContact O-N 3.15Å
287C38Very low61.8Low84 Ų8491.5 Ų91.557%0.56849%0.49SS*.  trans-104.213.6179.1-89.20000113.6L283 P284 K289L283-C287 HydrophobicContact CD2-CB 4.17Å; P284-C287 PolarHBondContact O-N 3.34Å; C287-K289 PolarHBondContact O-N 3.46Å
288R45.5Very low61.5Low179 Ų17987.3 Ų87.368%0.67546%0.463SS*.  trans-71.282.7164.1-68.9-173.3-164.1-168.23.8108.6E290R288-E290 HydrophobicContact CB-CG 4.13Å; R288-E290 PolarHBondContact O-N 3.34Å; R288-E290 VanDerWaalsContact O-N 3.09Å
289K44.7Very low61.5Low196 Ų19691.5 Ų91.585%0.85249%0.485SS*.  trans-72.885.3144.2-71.8-177.6-179.3178.40104.1C287 S291C287-K289 PolarHBondContact O-N 3.46Å; K289-S291 PolarHBondContact O-N 3.44Å
290E50.7Low62Low104 Ų10495 Ų9549%0.48649%0.494SS..  trans-51.7116.8170.5-62.6-171.1156.600105.9R288 P292R288-E290 HydrophobicContact CB-CG 4.13Å; R288-E290 PolarHBondContact O-N 3.34Å; R288-E290 VanDerWaalsContact O-N 3.09Å; E290-P292 WeakPolarHBondContact O-CD 3.42Å
291S55Low62.8Low28 Ų2893.8 Ų93.820%0.19649%0.485CS..  trans-76.6107.3169.3167.80000105.9K289 R293 D541 E544K289-S291 PolarHBondContact O-N 3.44Å; S291-R293 PolarHBondContact O-N 3.03Å; S291-D541 WeakPolarHBondContact CB-OD1 3.39Å; S291-D541 PolarHBondContact OG-OD1 3.09Å; S291-E544 WeakPolarHBondContact CB-OE2 3.43Å; S291-E544 PolarHBondContact N-OE2 2.98Å
292P69Low63.9Low61 Ų6190.1 Ų90.140%0.39648%0.48SS..THydrogen-bonded Turntrans-71.6-1.8-175.233.1-36.8000111.8E290 F294 L295 E296E290-P292 WeakPolarHBondContact O-CD 3.42Å; P292-F294 PolarHBondContact O-N 2.81Å; P292-L295 WeakPolarHBondContact O-CB 3.35Å; P292-L295 PolarHBondContact O-N 3.24Å; P292-L295 VanDerWaalsContact O-N 3.14Å; P292-E296 HydrophobicContact CB-CG 4.17Å; P292-E296 WeakPolarHBondContact CB-OE1 3.32Å; P292-E296 WeakPolarHBondContact CG-OE1 3.36Å; P292-E296 WeakPolarHBondContact O-CB 3.49Å; P292-E296 VanDerWaalsContact O-CG 3.29Å; P292-E296 WeakPolarHBondContact O-CG 3.48Å; P292-E296 PolarHBondContact O-N 2.79Å
293R82.3Confident65.4Low134 Ų13490.4 Ų90.451%0.50648%0.482SS..Hα-helixtrans-61.1-47-167-69.3-175.6163.3-161.6-2.8113.7S291 L297 E536 F537S291-R293 PolarHBondContact O-N 3.03Å; R293-L297 VanDerWaalsContact O-CB 3.29Å; R293-L297 WeakPolarHBondContact O-CB 3.22Å; R293-L297 PolarHBondContact O-N 3.18Å; R293-E536 PolarHBondContact NH1-O 3.2Å; R293-E536 VanDerWaalsContact NH1-O 3.07Å; R293-F537 HydrophobicContact CB-CD1 4.39Å; R293-F537 HydrophobicContact CB-CE1 4.19Å
294F84.9Confident67.4Low10 Ų1085.6 Ų85.64%0.04446%0.458CS..Hα-helixtrans-73.2-30.5177.7-80-56.6000112.3P292 L297 S298 F308 V312 F537 D541 Y542 L545P292-F294 PolarHBondContact O-N 2.81Å; F294-L297 HydrophobicContact CD1-CD2 4.31Å; F294-S298 WeakPolarHBondContact O-CB 3.48Å; F294-S298 PolarHBondContact O-N 2.84Å; F294-F308 HydrophobicContact CB-CE2 4.43Å; F294-F308 HydrophobicContact CB-CZ 4.26Å; F294-F308 HydrophobicContact CD1-CE2 4.1Å; F294-F308 HydrophobicContact CD1-CZ 4.01Å; F294-F308 HydrophobicContact CG-CZ 4.48Å; F294-F308 VanDerWaalsContact O-CE2 3.26Å; F294-F308 WeakPolarHBondContact O-CE2 3.27Å; F294-V312 HydrophobicContact CD1-CG2 3.99Å; F294-V312 HydrophobicContact CE1-CB 4.45Å; F294-V312 HydrophobicContact CE1-CG1 4.3Å; F294-V312 HydrophobicContact CE1-CG2 3.7Å; F294-F537 HydrophobicContact CD1-CD1 4.16Å; F294-F537 AromaticContact CD1-CE1 3.95Å; F294-F537 HydrophobicContact CD1-CE1 3.95Å; F294-F537 HydrophobicContact CD1-CZ 4.23Å; F294-F537 HydrophobicContact CD2-CD1 4.47Å; F294-F537 AromaticContact CE1-CD1 3.64Å; F294-F537 HydrophobicContact CE1-CD1 3.64Å; F294-F537 AromaticContact CE1-CD2 3.76Å; F294-F537 HydrophobicContact CE1-CD2 3.76Å; F294-F537 AromaticContact CE1-CE1 3.71Å; F294-F537 HydrophobicContact CE1-CE1 3.71Å; F294-F537 AromaticContact CE1-CE2 3.81Å; F294-F537 HydrophobicContact CE1-CE2 3.81Å; F294-F537 AromaticContact CE1-CG 3.69Å; F294-F537 HydrophobicContact CE1-CG 3.69Å; F294-F537 AromaticContact CE1-CZ 3.82Å; F294-F537 HydrophobicContact CE1-CZ 3.82Å; F294-F537 HydrophobicContact CE2-CB 4.22Å; F294-F537 HydrophobicContact CE2-CD1 4.01Å; F294-F537 HydrophobicContact CE2-CG 4.12Å; F294-F537 HydrophobicContact CZ-CB 3.73Å; F294-F537 AromaticContact CZ-CD1 3.56Å; F294-F537 HydrophobicContact CZ-CD1 3.56Å; F294-F537 AromaticContact CZ-CD2 3.79Å; F294-F537 HydrophobicContact CZ-CD2 3.79Å; F294-F537 HydrophobicContact CZ-CE1 4.13Å; F294-F537 HydrophobicContact CZ-CE2 4.32Å; F294-F537 AromaticContact CZ-CG 3.38Å; F294-F537 HydrophobicContact CZ-CG 3.38Å; F294-F537 HydrophobicContact CZ-CZ 4.5Å; F294-D541 HydrophobicContact CD2-CB 3.97Å; F294-D541 HydrophobicContact CE2-CB 3.55Å; F294-Y542 HydrophobicContact CE2-CD1 4.43Å; F294-Y542 HydrophobicContact CE2-CG 4.48Å; F294-Y542 HydrophobicContact CZ-CD1 4.2Å; F294-Y542 AromaticContact CZ-CE1 3.91Å; F294-Y542 HydrophobicContact CZ-CE1 3.91Å; F294-Y542 HydrophobicContact CZ-CE2 4.26Å; F294-Y542 HydrophobicContact CZ-CG 4.49Å; F294-Y542 AromaticContact CZ-CZ 3.93Å; F294-L545 HydrophobicContact CB-CD1 4.43Å; F294-L545 HydrophobicContact CD1-CD2 4.45Å; F294-L545 HydrophobicContact CD2-CB 4.03Å; F294-L545 HydrophobicContact CD2-CD2 4.22Å; F294-L545 HydrophobicContact CE1-CD2 4.43Å; F294-L545 HydrophobicContact CE2-CB 4.28Å; F294-L545 HydrophobicContact CE2-CD2 4.16Å; F294-L545 HydrophobicContact CG-CD1 4.5Å; F294-L545 HydrophobicContact CG-CD2 4.37Å; F294-L545 HydrophobicContact CZ-CD2 4.28Å
295L84Confident69.9Low45 Ų4583.4 Ų83.424%0.23644%0.444CS..Hα-helixtrans-67.3-51.4173.5-71.7175.3000111.2P292 L297 S298 E299 L603P292-L295 WeakPolarHBondContact O-CB 3.35Å; P292-L295 PolarHBondContact O-N 3.24Å; P292-L295 VanDerWaalsContact O-N 3.14Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 2.99Å; L295-S298 WeakPolarHBondContact O-CA 3.26Å; L295-S298 WeakPolarHBondContact O-CB 3.46Å; L295-S298 PolarHBondContact O-N 2.85Å; L295-S298 PolarHBondContact O-OG 3.09Å; L295-E299 PolarHBondContact O-N 2.9Å; L295-L603 HydrophobicContact CD2-CD1 3.89Å
296E84.6Confident72.4Confident104 Ų10478.4 Ų78.449%0.48641%0.41SS..Hα-helixtrans-56.8-41.9175.6-73.2173.7-16800111.2P292 E299 R300P292-E296 HydrophobicContact CB-CG 4.17Å; P292-E296 WeakPolarHBondContact CB-OE1 3.32Å; P292-E296 WeakPolarHBondContact CG-OE1 3.36Å; P292-E296 WeakPolarHBondContact O-CB 3.49Å; P292-E296 VanDerWaalsContact O-CG 3.29Å; P292-E296 WeakPolarHBondContact O-CG 3.48Å; P292-E296 PolarHBondContact O-N 2.79Å; E296-E299 PolarHBondContact O-N 2.87Å; E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 VanDerWaalsContact O-CG 3.22Å; E296-R300 WeakPolarHBondContact O-CG 3.44Å; E296-R300 PolarHBondContact O-N 3.42Å
297L85.3Confident74.9Confident11 Ų1177.7 Ų77.76%0.05838%0.384CS..Hα-helixtrans-62.6-45.7173.8-175.972.8000111.3R293 F294 L295 E299 R300 V301 F308 I311 F537R293-L297 VanDerWaalsContact O-CB 3.29Å; R293-L297 WeakPolarHBondContact O-CB 3.22Å; R293-L297 PolarHBondContact O-N 3.18Å; F294-L297 HydrophobicContact CD1-CD2 4.31Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 2.99Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 3.17Å; L297-R300 PolarHBondContact O-N 2.73Å; L297-V301 HydrophobicContact CD1-CG2 3.89Å; L297-V301 HydrophobicContact CG-CG2 4.23Å; L297-V301 VanDerWaalsContact O-CB 3.25Å; L297-V301 WeakPolarHBondContact O-CB 3.36Å; L297-V301 VanDerWaalsContact O-CG2 3.23Å; L297-V301 WeakPolarHBondContact O-CG2 3.48Å; L297-V301 PolarHBondContact O-N 2.91Å; L297-F308 HydrophobicContact CB-CD2 4.4Å; L297-F308 HydrophobicContact CB-CE2 4.2Å; L297-F308 HydrophobicContact CD2-CD2 3.87Å; L297-F308 HydrophobicContact CD2-CE2 3.84Å; L297-F308 HydrophobicContact CG-CD2 4Å; L297-F308 HydrophobicContact CG-CE2 4.18Å; L297-I311 HydrophobicContact CD1-CD1 4.28Å; L297-I311 HydrophobicContact CD2-CB 4.38Å; L297-I311 HydrophobicContact CD2-CG2 3.85Å; L297-F537 HydrophobicContact CD2-CE2 4.42Å; L297-F537 HydrophobicContact CD2-CZ 3.83Å
298S85Confident77.4Confident25 Ų2574.1 Ų74.118%0.17536%0.359CS..Hα-helixtrans-60.7-37.8-18076.20000112.1F294 L295 A302F294-S298 WeakPolarHBondContact O-CB 3.48Å; F294-S298 PolarHBondContact O-N 2.84Å; L295-S298 WeakPolarHBondContact O-CA 3.26Å; L295-S298 WeakPolarHBondContact O-CB 3.46Å; L295-S298 PolarHBondContact O-N 2.85Å; L295-S298 PolarHBondContact O-OG 3.09Å; S298-A302 WeakPolarHBondContact O-CA 3.21Å; S298-A302 PolarHBondContact O-N 2.95Å
299E85.3Confident79.6Confident147 Ų14765.6 Ų65.669%0.68733%0.326SS*.Hα-helixtrans-70.2-43.7176.2-69.8-179.8175.500111.9L295 E296 L297 V301 A302L295-E299 PolarHBondContact O-N 2.9Å; E296-E299 PolarHBondContact O-N 2.87Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 3.17Å; E299-V301 PolarHBondContact O-N 2.87Å; E299-A302 VanDerWaalsContact O-CB 3.28Å; E299-A302 WeakPolarHBondContact O-CB 3.44Å; E299-A302 PolarHBondContact O-N 3.25Å
300R84.6Confident81.8Confident188 Ų18856.3 Ų56.371%0.70929%0.286SS*.Hα-helixtrans-63.6-30.5177.8-73.6177.171.3-177.12.7112.9E296 L297E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 VanDerWaalsContact O-CG 3.22Å; E296-R300 WeakPolarHBondContact O-CG 3.44Å; E296-R300 PolarHBondContact O-N 3.42Å; L297-R300 PolarHBondContact O-N 2.73Å
301V83.6Confident83.7Confident20 Ų2051.4 Ų51.412%0.12126%0.263CS..Hα-helixtrans-105.12.1-172.6-176.60000111.8L297 E299 P303 S304 R307 F308 I311L297-V301 HydrophobicContact CD1-CG2 3.89Å; L297-V301 HydrophobicContact CG-CG2 4.23Å; L297-V301 VanDerWaalsContact O-CB 3.25Å; L297-V301 WeakPolarHBondContact O-CB 3.36Å; L297-V301 VanDerWaalsContact O-CG2 3.23Å; L297-V301 WeakPolarHBondContact O-CG2 3.48Å; L297-V301 PolarHBondContact O-N 2.91Å; E299-V301 PolarHBondContact O-N 2.87Å; V301-P303 VanDerWaalsContact C-N 3.28Å; V301-P303 VanDerWaalsContact O-CD 3.31Å; V301-P303 WeakPolarHBondContact O-CD 3.35Å; V301-S304 PolarHBondContact O-N 2.93Å; V301-R307 HydrophobicContact CG1-CB 3.06Å; V301-R307 HydrophobicContact CG1-CG 4.18Å; V301-F308 HydrophobicContact CG1-CB 4.34Å; V301-I311 HydrophobicContact CG1-CD1 4.39Å; V301-I311 HydrophobicContact CG2-CD1 4.06Å
302A79.8Confident85.4Confident70 Ų7050 Ų5058%0.57925%0.254SS*.THydrogen-bonded Turntrans-48.8-30.1178.800000116.7S298 E299 S304S298-A302 WeakPolarHBondContact O-CA 3.21Å; S298-A302 PolarHBondContact O-N 2.95Å; E299-A302 VanDerWaalsContact O-CB 3.28Å; E299-A302 WeakPolarHBondContact O-CB 3.44Å; E299-A302 PolarHBondContact O-N 3.25Å; A302-S304 PolarHBondContact O-N 2.85Å; A302-S304 VanDerWaalsContact O-N 3.11Å
303P81.5Confident86.5Confident110 Ų11047.1 Ų47.171%0.71424%0.235SC*.THydrogen-bonded Turntrans-60.4-20.3179.2-2736000115.3V301V301-P303 VanDerWaalsContact C-N 3.28Å; V301-P303 VanDerWaalsContact O-CD 3.31Å; V301-P303 WeakPolarHBondContact O-CD 3.35Å
304S85.3Confident86.8Confident12 Ų1241.3 Ų41.38%0.08421%0.213CC..  trans-132.2123.8176.8169.10000110.8V301 A302 W306 R307 D655V301-S304 PolarHBondContact O-N 2.93Å; A302-S304 PolarHBondContact O-N 2.85Å; A302-S304 VanDerWaalsContact O-N 3.11Å; S304-W306 PolarHBondContact O-N 2.89Å; S304-W306 PolarHBondContact OG-N 2.85Å; S304-R307 PolarHBondContact O-N 3.01Å; S304-D655 VanDerWaalsContact CB-OD2 3.27Å; S304-D655 WeakPolarHBondContact CB-OD2 3.41Å; S304-D655 PolarHBondContact OG-OD1 3.07Å; S304-D655 PolarHBondContact OG-OD2 3.29Å
305P84.7Confident87Confident35 Ų3541 Ų4123%0.22721%0.212CC..THydrogen-bonded Turntrans-68.5-15.1-178.828.6-34.3000113.1E610P305-E610 HydrophobicContact CB-CB 4.26Å; P305-E610 HydrophobicContact CG-CB 3.51Å; P305-E610 HydrophobicContact CG-CG 3.55Å
306W88.9Confident87.3Confident6 Ų638.8 Ų38.82%0.02320%0.201CC..THydrogen-bonded Turntrans-91.6-20.3-177.9-63-41000114.7S304 P309 A310 E610 V613 R654 D655 L658 D659S304-W306 PolarHBondContact O-N 2.89Å; S304-W306 PolarHBondContact OG-N 2.85Å; W306-P309 WeakPolarHBondContact O-CG 3.44Å; W306-A310 WeakPolarHBondContact O-CB 3.16Å; W306-A310 PolarHBondContact O-N 2.79Å; W306-E610 HydrophobicContact CZ2-CB 3.97Å; W306-E610 HydrophobicContact CZ2-CG 3.88Å; W306-E610 PolarHBondContact NE1-O 3.38Å; W306-V613 HydrophobicContact CZ2-CG1 4.45Å; W306-R654 PolarHBondContact O-NH1 3.15Å; W306-D655 HydrophobicContact CE3-CB 4.25Å; W306-D655 WeakPolarHBondContact CZ3-O 3.34Å; W306-L658 HydrophobicContact CB-CD1 3.89Å; W306-L658 HydrophobicContact CD2-CB 4Å; W306-L658 HydrophobicContact CD2-CD1 3.55Å; W306-L658 HydrophobicContact CD2-CG 4.42Å; W306-L658 HydrophobicContact CE3-CB 3.64Å; W306-L658 HydrophobicContact CE3-CD1 3.72Å; W306-L658 HydrophobicContact CE3-CG 4.34Å; W306-L658 HydrophobicContact CG-CD1 3.66Å; W306-L658 HydrophobicContact CH2-CB 3.68Å; W306-L658 HydrophobicContact CZ2-CB 4.02Å; W306-L658 HydrophobicContact CZ3-CB 3.47Å; W306-L658 VanDerWaalsContact CZ3-CB 3.47Å; W306-L658 HydrophobicContact CZ3-CD1 4.44Å; W306-D659 WeakPolarHBondContact CH2-OD1 3.1Å; W306-D659 WeakPolarHBondContact CZ3-OD1 3.4Å
307R89.8Confident87.4Confident62 Ų6234 Ų3423%0.23418%0.18CC..Hα-helixtrans-76.8-43.9-170.6-75.2-178.8-169.1170.17.4112.7V301 S304 A310 I311 L651 D655V301-R307 HydrophobicContact CG1-CB 3.06Å; V301-R307 HydrophobicContact CG1-CG 4.18Å; S304-R307 PolarHBondContact O-N 3.01Å; R307-A310 WeakPolarHBondContact O-CB 3.49Å; R307-A310 PolarHBondContact O-N 3.07Å; R307-I311 WeakPolarHBondContact O-CG1 3.02Å; R307-I311 PolarHBondContact O-N 3.12Å; R307-L651 HydrophobicContact CG-CB 4.45Å; R307-L651 HydrophobicContact CG-CD2 4.34Å; R307-D655 WeakPolarHBondContact CG-OD2 3.19Å; R307-D655 IonicContact CZ-OD2 3.54Å; R307-D655 VanDerWaalsContact CZ-OD2 3.26Å; R307-D655 IonicContact NE-OD2 3Å; R307-D655 PolarHBondContact NE-OD2 2.79Å; R307-D655 IonicContact NH2-OD2 3.26Å; R307-D655 PolarHBondContact NH2-OD2 3.13Å
308F91.1Very high87.5Confident10 Ų1034.4 Ų34.44%0.04418%0.181CC..Hα-helixtrans-54.2-56.2178177.8-93.9000112.9F294 L297 V301 A310 I311 V312 L545 L601F294-F308 HydrophobicContact CB-CE2 4.43Å; F294-F308 HydrophobicContact CB-CZ 4.26Å; F294-F308 HydrophobicContact CD1-CE2 4.1Å; F294-F308 HydrophobicContact CD1-CZ 4.01Å; F294-F308 HydrophobicContact CG-CZ 4.48Å; F294-F308 VanDerWaalsContact O-CE2 3.26Å; F294-F308 WeakPolarHBondContact O-CE2 3.27Å; L297-F308 HydrophobicContact CB-CD2 4.4Å; L297-F308 HydrophobicContact CB-CE2 4.2Å; L297-F308 HydrophobicContact CD2-CD2 3.87Å; L297-F308 HydrophobicContact CD2-CE2 3.84Å; L297-F308 HydrophobicContact CG-CD2 4Å; L297-F308 HydrophobicContact CG-CE2 4.18Å; V301-F308 HydrophobicContact CG1-CB 4.34Å; F308-A310 PolarHBondContact O-N 3.07Å; F308-I311 PolarHBondContact O-N 3.19Å; F308-V312 HydrophobicContact CD1-CG2 4.05Å; F308-V312 HydrophobicContact CD2-CG2 4.32Å; F308-V312 HydrophobicContact CE1-CG2 3.66Å; F308-V312 HydrophobicContact CE2-CG2 3.98Å; F308-V312 HydrophobicContact CG-CG2 4.37Å; F308-V312 HydrophobicContact CZ-CG2 3.64Å; F308-V312 WeakPolarHBondContact O-CG2 3.36Å; F308-V312 PolarHBondContact O-N 2.92Å; F308-L545 HydrophobicContact CZ-CD1 4.32Å; F308-L601 VanDerWaalsContact CE1-O 3.25Å; F308-L601 WeakPolarHBondContact CE1-O 3.37Å
309P92Very high87.4Confident0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-66.3-27.5-178.826.8-35.4000112.4W306 A313 L331 H598 L601 C602W306-P309 WeakPolarHBondContact O-CG 3.44Å; P309-A313 VanDerWaalsContact O-CB 3.28Å; P309-A313 WeakPolarHBondContact O-CB 3.2Å; P309-A313 PolarHBondContact O-N 2.96Å; P309-L331 HydrophobicContact CB-CD1 4.27Å; P309-H598 VanDerWaalsContact CG-NE2 3.32Å; P309-H598 WeakPolarHBondContact CG-NE2 3.12Å; P309-L601 HydrophobicContact CB-CD2 3.93Å; P309-L601 HydrophobicContact CB-CG 4.46Å; P309-C602 VanDerWaalsContact CD-SG 3.53Å; P309-C602 VanDerWaalsContact CG-SG 3.56Å
310A91.1Very high87.4Confident0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-67.6-44.717500000112.3W306 R307 F308 A313 H314 F641 L645 R654W306-A310 WeakPolarHBondContact O-CB 3.16Å; W306-A310 PolarHBondContact O-N 2.79Å; R307-A310 WeakPolarHBondContact O-CB 3.49Å; R307-A310 PolarHBondContact O-N 3.07Å; F308-A310 PolarHBondContact O-N 3.07Å; A310-A313 PolarHBondContact O-N 3.14Å; A310-H314 WeakPolarHBondContact O-CB 3.33Å; A310-H314 PolarHBondContact O-N 3.43Å; A310-F641 HydrophobicContact CB-CE1 4.01Å; A310-L645 HydrophobicContact CB-CD1 3.97Å; A310-R654 VanDerWaalsContact CB-CZ 3.46Å
311I89.9Confident87.6Confident1 Ų123.5 Ų23.51%0.00514%0.14CC..Hα-helixtrans-63.4-46.1175.6-65.4169.1000110.3L297 V301 R307 F308 A313 H314 C315 W535 F537 L651L297-I311 HydrophobicContact CD1-CD1 4.28Å; L297-I311 HydrophobicContact CD2-CB 4.38Å; L297-I311 HydrophobicContact CD2-CG2 3.85Å; V301-I311 HydrophobicContact CG1-CD1 4.39Å; V301-I311 HydrophobicContact CG2-CD1 4.06Å; R307-I311 WeakPolarHBondContact O-CG1 3.02Å; R307-I311 PolarHBondContact O-N 3.12Å; F308-I311 PolarHBondContact O-N 3.19Å; I311-A313 VanDerWaalsContact C-N 3.34Å; I311-A313 PolarHBondContact O-N 3.46Å; I311-H314 PolarHBondContact O-N 3.28Å; I311-C315 PolarHBondContact O-N 3.46Å; I311-C315 PolarHBondContact O-SG 3.23Å; I311-W535 HydrophobicContact CB-CE3 4.21Å; I311-W535 HydrophobicContact CB-CZ3 4.31Å; I311-W535 HydrophobicContact CD1-CE3 4.35Å; I311-W535 HydrophobicContact CD1-CH2 3.87Å; I311-W535 HydrophobicContact CD1-CZ2 4.06Å; I311-W535 HydrophobicContact CD1-CZ3 4.01Å; I311-W535 HydrophobicContact CG1-CE3 3.96Å; I311-W535 HydrophobicContact CG1-CH2 3.94Å; I311-W535 HydrophobicContact CG1-CZ3 3.6Å; I311-W535 HydrophobicContact CG2-CB 4.3Å; I311-W535 HydrophobicContact CG2-CD2 3.72Å; I311-W535 HydrophobicContact CG2-CE3 3.39Å; I311-W535 HydrophobicContact CG2-CG 4.13Å; I311-W535 HydrophobicContact CG2-CZ3 3.97Å; I311-F537 HydrophobicContact CG2-CE2 4.43Å; I311-L651 HydrophobicContact CD1-CD1 4Å; I311-L651 HydrophobicContact CG1-CD1 4.25Å; I311-L651 HydrophobicContact CG1-CD2 4.12Å
312V91Very high87.6Confident0 Ų023.2 Ų23.20%014%0.138CC..Hα-helixtrans-60.3-43.5179.9175.60000110.9F294 F308 F316 L334 Y542 L545F294-V312 HydrophobicContact CD1-CG2 3.99Å; F294-V312 HydrophobicContact CE1-CB 4.45Å; F294-V312 HydrophobicContact CE1-CG1 4.3Å; F294-V312 HydrophobicContact CE1-CG2 3.7Å; F308-V312 HydrophobicContact CD1-CG2 4.05Å; F308-V312 HydrophobicContact CD2-CG2 4.32Å; F308-V312 HydrophobicContact CE1-CG2 3.66Å; F308-V312 HydrophobicContact CE2-CG2 3.98Å; F308-V312 HydrophobicContact CG-CG2 4.37Å; F308-V312 HydrophobicContact CZ-CG2 3.64Å; F308-V312 WeakPolarHBondContact O-CG2 3.36Å; F308-V312 PolarHBondContact O-N 2.92Å; V312-F316 WeakPolarHBondContact O-CB 3.19Å; V312-F316 PolarHBondContact O-N 3.41Å; V312-L334 HydrophobicContact CG1-CD1 3.88Å; V312-Y542 HydrophobicContact CG1-CD1 4.45Å; V312-Y542 HydrophobicContact CG1-CE1 3.65Å; V312-Y542 PolarHBondContact O-OH 3Å; V312-L545 HydrophobicContact CG1-CD2 3.7Å
313A91.8Very high87.7Confident0 Ų022.7 Ų22.70%013%0.129CC..Hα-helixtrans-70.9-36.8176.500000112.7P309 A310 I311 C315 F316 K330 L331 L334 F641P309-A313 VanDerWaalsContact O-CB 3.28Å; P309-A313 WeakPolarHBondContact O-CB 3.2Å; P309-A313 PolarHBondContact O-N 2.96Å; A310-A313 PolarHBondContact O-N 3.14Å; I311-A313 VanDerWaalsContact C-N 3.34Å; I311-A313 PolarHBondContact O-N 3.46Å; A313-C315 VanDerWaalsContact C-N 3.35Å; A313-C315 PolarHBondContact O-N 3.35Å; A313-F316 WeakPolarHBondContact O-CB 3.46Å; A313-F316 PolarHBondContact O-N 3.18Å; A313-K330 HydrophobicContact CB-CB 4.4Å; A313-K330 WeakPolarHBondContact O-CB 3.37Å; A313-K330 WeakPolarHBondContact O-CD 3.49Å; A313-L331 HydrophobicContact CB-CB 3.92Å; A313-L331 HydrophobicContact CB-CD1 4.3Å; A313-L334 HydrophobicContact CB-CD1 4.22Å; A313-F641 HydrophobicContact CB-CZ 4Å
314H89Confident87.5Confident12 Ų1218.4 Ų18.46%0.05611%0.105CC..Hα-helixtrans-63-40.7178.8-176.681.1000112.3A310 I311 F316 P323 G324 L645A310-H314 WeakPolarHBondContact O-CB 3.33Å; A310-H314 PolarHBondContact O-N 3.43Å; I311-H314 PolarHBondContact O-N 3.28Å; H314-F316 VanDerWaalsContact C-N 3.31Å; H314-P323 WeakPolarHBondContact NE2-CB 3.46Å; H314-G324 PolarHBondContact CE1-N 2.67Å; H314-G324 PolarHBondContact ND1-N 2.5Å; H314-L645 HydrophobicContact CB-CD1 4.3Å
315C87.9Confident87.5Confident2 Ų218.7 Ų18.71%0.01411%0.105CC..THydrogen-bonded Turntrans-88.55-180-51.50000113.2I311 A313 G317 L318 W535 F537 Y542I311-C315 PolarHBondContact O-N 3.46Å; I311-C315 PolarHBondContact O-SG 3.23Å; A313-C315 VanDerWaalsContact C-N 3.35Å; A313-C315 PolarHBondContact O-N 3.35Å; C315-G317 PolarHBondContact O-N 2.85Å; C315-L318 HydrophobicContact CB-CD1 4.08Å; C315-L318 VanDerWaalsContact O-CG 3.29Å; C315-L318 WeakPolarHBondContact O-CG 3.37Å; C315-W535 PolarHBondContact SG-O 2.76Å; C315-W535 VanDerWaalsContact SG-O 3.36Å; C315-F537 HydrophobicContact CB-CD2 3.96Å; C315-F537 HydrophobicContact CB-CE2 4.33Å; C315-Y542 PolarHBondContact O-OH 3.34Å
316F90.6Very high87.7Confident0 Ų019.6 Ų19.60%010%0.104CC..THydrogen-bonded Turntrans-79127.2-176.3-174.7-112000111.3V312 A313 H314 K330 L334 L364 Y367 S368 L371 Y542V312-F316 WeakPolarHBondContact O-CB 3.19Å; V312-F316 PolarHBondContact O-N 3.41Å; A313-F316 WeakPolarHBondContact O-CB 3.46Å; A313-F316 PolarHBondContact O-N 3.18Å; H314-F316 VanDerWaalsContact C-N 3.31Å; F316-K330 HydrophobicContact CB-CB 4.25Å; F316-K330 HydrophobicContact CB-CD 4.21Å; F316-K330 HydrophobicContact CB-CG 4.47Å; F316-K330 HydrophobicContact CD1-CB 3.94Å; F316-K330 HydrophobicContact CD1-CG 4.02Å; F316-K330 WeakPolarHBondContact O-CD 3.33Å; F316-K330 WeakPolarHBondContact O-CE 3.47Å; F316-K330 PolarHBondContact O-NZ 2.74Å; F316-L334 HydrophobicContact CB-CD1 4.4Å; F316-L334 HydrophobicContact CD2-CD1 4.41Å; F316-L334 HydrophobicContact CD2-CD2 3.88Å; F316-L334 HydrophobicContact CD2-CG 4.32Å; F316-L334 HydrophobicContact CE2-CD2 3.71Å; F316-L334 HydrophobicContact CE2-CG 4.36Å; F316-L334 HydrophobicContact CG-CD1 4.3Å; F316-L334 HydrophobicContact CG-CD2 4.46Å; F316-L334 HydrophobicContact CG-CG 4.41Å; F316-L334 HydrophobicContact CZ-CD2 4.19Å; F316-L364 HydrophobicContact CD1-CD1 4.46Å; F316-L364 HydrophobicContact CE1-CD1 4.44Å; F316-Y367 HydrophobicContact CD2-CE1 4.3Å; F316-Y367 HydrophobicContact CE1-CD1 4.41Å; F316-Y367 HydrophobicContact CE1-CE1 4.4Å; F316-Y367 HydrophobicContact CE2-CD1 4.48Å; F316-Y367 AromaticContact CE2-CE1 3.78Å; F316-Y367 HydrophobicContact CE2-CE1 3.78Å; F316-Y367 HydrophobicContact CZ-CD1 4.07Å; F316-Y367 AromaticContact CZ-CE1 3.83Å; F316-Y367 HydrophobicContact CZ-CE1 3.83Å; F316-S368 WeakPolarHBondContact CE1-OG 3.43Å; F316-S368 VanDerWaalsContact CZ-OG 3.31Å; F316-S368 WeakPolarHBondContact CZ-OG 3.47Å; F316-L371 HydrophobicContact CE2-CD1 3.41Å; F316-L371 VanDerWaalsContact CE2-CD1 3.41Å; F316-L371 HydrophobicContact CZ-CD1 3.69Å; F316-Y542 WeakPolarHBondContact CA-OH 3.07Å; F316-Y542 HydrophobicContact CB-CE1 4.33Å; F316-Y542 AromaticContact CD2-CD1 3.68Å; F316-Y542 HydrophobicContact CD2-CD1 3.68Å; F316-Y542 HydrophobicContact CD2-CD2 4.41Å; F316-Y542 AromaticContact CD2-CE1 3.47Å; F316-Y542 HydrophobicContact CD2-CE1 3.47Å; F316-Y542 VanDerWaalsContact CD2-CE1 3.47Å; F316-Y542 HydrophobicContact CD2-CE2 4.23Å; F316-Y542 HydrophobicContact CD2-CG 4.16Å; F316-Y542 AromaticContact CD2-CZ 3.78Å; F316-Y542 AromaticContact CE2-CD1 4Å; F316-Y542 HydrophobicContact CE2-CD1 4Å; F316-Y542 HydrophobicContact CE2-CE1 4.25Å; F316-Y542 HydrophobicContact CE2-CG 4.3Å; F316-Y542 HydrophobicContact CG-CE1 4.36Å; F316-Y542 PolarHBondContact N-OH 3.47Å
317G87.4Confident87.7Confident4 Ų419.8 Ų19.84%0.04111%0.106CC..THydrogen-bonded Turntrans67.140.617700000114.1C315 D319 L320 T321C315-G317 PolarHBondContact O-N 2.85Å; G317-D319 PolarHBondContact O-N 2.94Å; G317-D319 VanDerWaalsContact O-N 3.15Å; G317-L320 PolarHBondContact O-N 2.96Å; G317-T321 PolarHBondContact O-N 2.87Å; G317-T321 PolarHBondContact O-OG1 2.88Å
318L86.6Confident87.8Confident18 Ų1817.7 Ų17.79%0.09410%0.1CC..THydrogen-bonded Turntrans-61-16-180-74.1169.1000114.7C315 P323 H518C315-L318 HydrophobicContact CB-CD1 4.08Å; C315-L318 VanDerWaalsContact O-CG 3.29Å; C315-L318 WeakPolarHBondContact O-CG 3.37Å; L318-P323 HydrophobicContact CD2-CB 4.03Å; L318-P323 HydrophobicContact CD2-CG 4.35Å; L318-H518 PolarHBondContact O-CE1 3.05Å; L318-H518 PolarHBondContact O-NE2 2.93Å
319D83.3Confident87.9Confident85 Ų8517.3 Ų17.346%0.45510%0.098SC..THydrogen-bonded Turntrans-80.7-20173.9-62.2-29.8000112.6G317 H529G317-D319 PolarHBondContact O-N 2.94Å; G317-D319 VanDerWaalsContact O-N 3.15Å; D319-H529 IonicContact OD1-CE1 3.83Å
320L86.4Confident88Confident47 Ų4717.3 Ų17.325%0.24610%0.098CC..THydrogen-bonded Turntrans-107.6-37.1-173-63176.9000112.6G317 R363 L364 Y367 Q515G317-L320 PolarHBondContact O-N 2.96Å; L320-R363 HydrophobicContact CD2-CB 4.39Å; L320-L364 HydrophobicContact CD1-CD1 4.4Å; L320-Y367 VanDerWaalsContact CD1-CB 3.5Å; L320-Y367 HydrophobicContact CD1-CG 3.98Å; L320-Q515 PolarHBondContact O-NE2 2.74Å
321T87.3Confident88.2Confident0 Ų017.3 Ų17.30%010%0.099CC..SBendtrans-138141.1-173.754.90000109.8G317 Y326 K330 V360 L364G317-T321 PolarHBondContact O-N 2.87Å; G317-T321 PolarHBondContact O-OG1 2.88Å; T321-Y326 HydrophobicContact CG2-CD2 4.06Å; T321-Y326 HydrophobicContact CG2-CE2 4.29Å; T321-K330 WeakPolarHBondContact OG1-CE 3.2Å; T321-K330 PolarHBondContact OG1-NZ 3.22Å; T321-V360 HydrophobicContact CG2-CG1 3.67Å; T321-L364 HydrophobicContact CG2-CD2 4.45Å
322P84.8Confident88.4Confident14 Ų1417.4 Ų17.49%0.09110%0.099CC..  trans-62.1154.6175.926.7-31.8000110.9L325 A514 H518P322-L325 HydrophobicContact CG-CB 3.98Å; P322-L325 HydrophobicContact CG-CD1 4.28Å; P322-L325 HydrophobicContact CG-CD2 4.49Å; P322-L325 PolarHBondContact O-N 2.81Å; P322-A514 HydrophobicContact CG-CB 4.44Å; P322-H518 HydrophobicContact CB-CB 4.16Å; P322-H518 HydrophobicContact CG-CB 4.31Å
323P80.9Confident88.6Confident58 Ų5817.4 Ų17.438%0.37710%0.099SC..THydrogen-bonded Turntrans-56.5145.3173.223.4-32.1000110.6H314 L318 L325H314-P323 WeakPolarHBondContact NE2-CB 3.46Å; L318-P323 HydrophobicContact CD2-CB 4.03Å; L318-P323 HydrophobicContact CD2-CG 4.35Å; P323-L325 PolarHBondContact O-N 2.75Å
324G78.1Confident88.8Confident20 Ų2017.4 Ų17.421%0.20610%0.099CC..THydrogen-bonded Turntrans87.6-22.8179.100000114.8H314 N327H314-G324 PolarHBondContact CE1-N 2.67Å; H314-G324 PolarHBondContact ND1-N 2.5Å; G324-N327 VanDerWaalsContact C-OD1 3.28Å; G324-N327 WeakPolarHBondContact CA-ND2 3.5Å; G324-N327 WeakPolarHBondContact CA-OD1 3.42Å; G324-N327 VanDerWaalsContact O-CG 3.31Å; G324-N327 PolarHBondContact O-ND2 2.71Å; G324-N327 PolarHBondContact O-OD1 2.84Å
325L85.4Confident89Confident19 Ų1916.9 Ų16.910%0.09910%0.097CC..THydrogen-bonded Turntrans-89132.5-175.8-158.8124.2000110.9P322 P323 N327 K330P322-L325 HydrophobicContact CG-CB 3.98Å; P322-L325 HydrophobicContact CG-CD1 4.28Å; P322-L325 HydrophobicContact CG-CD2 4.49Å; P322-L325 PolarHBondContact O-N 2.81Å; P323-L325 PolarHBondContact O-N 2.75Å; L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 3.44Å; L325-K330 WeakPolarHBondContact O-CE 3.37Å; L325-K330 PolarHBondContact O-NZ 3.33Å
326Y87.6Confident89.3Confident53 Ų5316.9 Ų16.921%0.20810%0.097CC..THydrogen-bonded Turntrans58.428-176.8-47-51.1000115.9T321 T328 L329 K330 V360 L361 C503T321-Y326 HydrophobicContact CG2-CD2 4.06Å; T321-Y326 HydrophobicContact CG2-CE2 4.29Å; Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 3.39Å; Y326-L329 WeakPolarHBondContact O-CB 3.42Å; Y326-L329 PolarHBondContact O-N 3.34Å; Y326-K330 WeakPolarHBondContact O-CG 3.3Å; Y326-K330 PolarHBondContact O-N 3.36Å; Y326-V360 HydrophobicContact CE2-CG1 4.27Å; Y326-L361 HydrophobicContact CD1-CD2 4.31Å; Y326-L361 HydrophobicContact CD2-CD2 3.37Å; Y326-L361 HydrophobicContact CE1-CD2 4.36Å; Y326-L361 HydrophobicContact CE2-CD2 3.42Å; Y326-L361 VanDerWaalsContact CE2-CD2 3.42Å; Y326-L361 HydrophobicContact CE2-CG 4.37Å; Y326-L361 HydrophobicContact CG-CD2 3.86Å; Y326-C503 HydrophobicContact CD1-CB 3.98Å; Y326-C503 HydrophobicContact CE1-CB 4.1Å
327N90Very high89.4Confident10 Ų1016.9 Ų16.95%0.05310%0.097CC..Hα-helixtrans-53.8-40.2-177.1-63.9-23.5000113.9G324 L325 L329 K330 L331 F641G324-N327 VanDerWaalsContact C-OD1 3.28Å; G324-N327 WeakPolarHBondContact CA-ND2 3.5Å; G324-N327 WeakPolarHBondContact CA-OD1 3.42Å; G324-N327 VanDerWaalsContact O-CG 3.31Å; G324-N327 PolarHBondContact O-ND2 2.71Å; G324-N327 PolarHBondContact O-OD1 2.84Å; L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 3.44Å; N327-L329 VanDerWaalsContact C-N 3.33Å; N327-L329 PolarHBondContact O-N 3.41Å; N327-K330 PolarHBondContact O-N 3.5Å; N327-L331 WeakPolarHBondContact O-CB 3.28Å; N327-L331 PolarHBondContact O-N 3.21Å; N327-F641 VanDerWaalsContact C-CE2 3.5Å; N327-F641 HydrophobicContact CB-CB 4.25Å; N327-F641 HydrophobicContact CB-CD1 3.67Å; N327-F641 HydrophobicContact CB-CD2 3.56Å; N327-F641 HydrophobicContact CB-CE1 3.8Å; N327-F641 HydrophobicContact CB-CE2 3.7Å; N327-F641 HydrophobicContact CB-CG 3.55Å; N327-F641 HydrophobicContact CB-CZ 3.82Å; N327-F641 WeakPolarHBondContact O-CE2 3.5Å
328T91.9Very high89.5Confident19 Ų1916.7 Ų16.712%0.11710%0.095CC..Hα-helixtrans-59.3-44.1176.6-53.60000111.4Y326 C332 V501 L618Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 3.39Å; T328-C332 PolarHBondContact O-N 3.5Å; T328-C332 PolarHBondContact O-SG 3.24Å; T328-V501 HydrophobicContact CG2-CG1 4.39Å; T328-L618 HydrophobicContact CG2-CD2 3.84Å
329L92.6Very high89.6Confident1 Ų116.1 Ų16.11%0.0059%0.092CC..Hα-helixtrans-66.9-45.6175.6174.262.2000111.5Y326 N327 L331 C332 L333 L351 V353 L361 L364 V501Y326-L329 WeakPolarHBondContact O-CB 3.42Å; Y326-L329 PolarHBondContact O-N 3.34Å; N327-L329 VanDerWaalsContact C-N 3.33Å; N327-L329 PolarHBondContact O-N 3.41Å; L329-L331 VanDerWaalsContact C-N 3.28Å; L329-L331 PolarHBondContact O-N 2.92Å; L329-C332 PolarHBondContact O-N 3.37Å; L329-C332 VanDerWaalsContact O-N 3.13Å; L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CD2 4.47Å; L329-L333 HydrophobicContact CD1-CG 3.99Å; L329-L333 HydrophobicContact CD2-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 3.89Å; L329-L333 HydrophobicContact CG-CG 4.29Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.97Å; L329-L351 HydrophobicContact CD1-CD2 3.93Å; L329-V353 HydrophobicContact CD1-CG1 4.42Å; L329-V353 HydrophobicContact CD1-CG2 3.5Å; L329-V353 VanDerWaalsContact CD1-CG2 3.5Å; L329-V353 HydrophobicContact CD2-CG1 4.12Å; L329-V353 HydrophobicContact CD2-CG2 4.47Å; L329-L361 HydrophobicContact CD2-CD1 4.07Å; L329-L361 HydrophobicContact CD2-CD2 3.72Å; L329-L361 HydrophobicContact CD2-CG 4.4Å; L329-L364 HydrophobicContact CD2-CD2 4.26Å; L329-V501 HydrophobicContact CB-CG1 4.35Å
330K94Very high89.4Confident0 Ų012.2 Ų12.20%07%0.071CC..Hα-helixtrans-56.2-44.1177.8-67.3178.3177.5-173.40111.2A313 F316 T321 L325 Y326 N327 L333 L334 L364A313-K330 HydrophobicContact CB-CB 4.4Å; A313-K330 WeakPolarHBondContact O-CB 3.37Å; A313-K330 WeakPolarHBondContact O-CD 3.49Å; F316-K330 HydrophobicContact CB-CB 4.25Å; F316-K330 HydrophobicContact CB-CD 4.21Å; F316-K330 HydrophobicContact CB-CG 4.47Å; F316-K330 HydrophobicContact CD1-CB 3.94Å; F316-K330 HydrophobicContact CD1-CG 4.02Å; F316-K330 WeakPolarHBondContact O-CD 3.33Å; F316-K330 WeakPolarHBondContact O-CE 3.47Å; F316-K330 PolarHBondContact O-NZ 2.74Å; T321-K330 WeakPolarHBondContact OG1-CE 3.2Å; T321-K330 PolarHBondContact OG1-NZ 3.22Å; L325-K330 WeakPolarHBondContact O-CE 3.37Å; L325-K330 PolarHBondContact O-NZ 3.33Å; Y326-K330 WeakPolarHBondContact O-CG 3.3Å; Y326-K330 PolarHBondContact O-N 3.36Å; N327-K330 PolarHBondContact O-N 3.5Å; K330-L333 PolarHBondContact O-N 3Å; K330-L334 WeakPolarHBondContact O-CG 3.12Å; K330-L334 PolarHBondContact O-N 2.8Å; K330-L334 VanDerWaalsContact O-N 3.07Å; K330-L364 HydrophobicContact CG-CD2 4.16Å
331L94.9Very high88.6Confident1 Ų112.8 Ų12.81%0.0057%0.07CC..Hα-helixtrans-62.1-50.2173.7-177.664000111.4P309 A313 N327 L329 L333 L334 L335 L601 I614 V640 F641P309-L331 HydrophobicContact CB-CD1 4.27Å; A313-L331 HydrophobicContact CB-CB 3.92Å; A313-L331 HydrophobicContact CB-CD1 4.3Å; N327-L331 WeakPolarHBondContact O-CB 3.28Å; N327-L331 PolarHBondContact O-N 3.21Å; L329-L331 VanDerWaalsContact C-N 3.28Å; L329-L331 PolarHBondContact O-N 2.92Å; L331-L333 VanDerWaalsContact C-N 3.28Å; L331-L333 PolarHBondContact O-N 3.05Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.95Å; L331-L334 VanDerWaalsContact O-N 3.14Å; L331-L335 HydrophobicContact CD1-CD1 4.5Å; L331-L335 HydrophobicContact CD1-CG 4.31Å; L331-L335 HydrophobicContact CG-CD1 4.08Å; L331-L335 HydrophobicContact CG-CG 4.31Å; L331-L335 VanDerWaalsContact O-CG 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.39Å; L331-L335 PolarHBondContact O-N 3.45Å; L331-L601 HydrophobicContact CD1-CD2 3.85Å; L331-I614 HydrophobicContact CD2-CG2 4.29Å; L331-V640 HydrophobicContact CD2-CG1 3.69Å; L331-F641 HydrophobicContact CB-CE2 4.05Å; L331-F641 HydrophobicContact CB-CZ 4.31Å; L331-F641 HydrophobicContact CD2-CE2 3.95Å; L331-F641 HydrophobicContact CD2-CZ 4.23Å
332C95Very high87.3Confident3 Ų315 Ų152%0.028%0.084CC..Hα-helixtrans-57.8-38.8178.1-72.30000113.1T328 L329 L335 S336 L351T328-C332 PolarHBondContact O-N 3.5Å; T328-C332 PolarHBondContact O-SG 3.24Å; L329-C332 PolarHBondContact O-N 3.37Å; L329-C332 VanDerWaalsContact O-N 3.13Å; C332-L335 PolarHBondContact O-N 2.97Å; C332-S336 WeakPolarHBondContact O-CB 3.47Å; C332-S336 PolarHBondContact O-N 3.41Å; C332-L351 HydrophobicContact CB-CD1 4.21Å
333L95.3Very high86.2Confident0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-64.5-45.3175.7-69.2168.9000111.1L329 K330 L331 S336 L337 L351 L364 M365 W464L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CD2 4.47Å; L329-L333 HydrophobicContact CD1-CG 3.99Å; L329-L333 HydrophobicContact CD2-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 3.89Å; L329-L333 HydrophobicContact CG-CG 4.29Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.97Å; K330-L333 PolarHBondContact O-N 3Å; L331-L333 VanDerWaalsContact C-N 3.28Å; L331-L333 PolarHBondContact O-N 3.05Å; L333-S336 PolarHBondContact O-N 3.37Å; L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 VanDerWaalsContact O-CG 3.26Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.37Å; L333-L351 HydrophobicContact CD2-CD2 3.55Å; L333-L351 HydrophobicContact CG-CD2 4.16Å; L333-L364 HydrophobicContact CD1-CD2 4.45Å; L333-L364 HydrophobicContact CD1-CG 4.31Å; L333-M365 HydrophobicContact CD1-CG 4.18Å; L333-M365 HydrophobicContact CD2-CG 4.1Å; L333-W464 HydrophobicContact CD2-CD2 4Å; L333-W464 HydrophobicContact CD2-CE3 4.03Å; L333-W464 HydrophobicContact CD2-CH2 3.76Å; L333-W464 HydrophobicContact CD2-CZ2 3.68Å; L333-W464 HydrophobicContact CD2-CZ3 3.93Å
334L95.2Very high84.9Confident0 Ų020.1 Ų20.10%012%0.118CC..Hα-helixtrans-61.3-44175.2-71.8166.7000112.1V312 A313 F316 K330 L331 S336 L337 V338 Y542 L601V312-L334 HydrophobicContact CG1-CD1 3.88Å; A313-L334 HydrophobicContact CB-CD1 4.22Å; F316-L334 HydrophobicContact CB-CD1 4.4Å; F316-L334 HydrophobicContact CD2-CD1 4.41Å; F316-L334 HydrophobicContact CD2-CD2 3.88Å; F316-L334 HydrophobicContact CD2-CG 4.32Å; F316-L334 HydrophobicContact CE2-CD2 3.71Å; F316-L334 HydrophobicContact CE2-CG 4.36Å; F316-L334 HydrophobicContact CG-CD1 4.3Å; F316-L334 HydrophobicContact CG-CD2 4.46Å; F316-L334 HydrophobicContact CG-CG 4.41Å; F316-L334 HydrophobicContact CZ-CD2 4.19Å; K330-L334 WeakPolarHBondContact O-CG 3.12Å; K330-L334 PolarHBondContact O-N 2.8Å; K330-L334 VanDerWaalsContact O-N 3.07Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.95Å; L331-L334 VanDerWaalsContact O-N 3.14Å; L334-S336 PolarHBondContact O-N 2.97Å; L334-L337 PolarHBondContact O-N 3.29Å; L334-V338 WeakPolarHBondContact O-CG2 3.17Å; L334-V338 PolarHBondContact O-N 3.48Å; L334-Y542 HydrophobicContact CD2-CD1 4.17Å; L334-Y542 HydrophobicContact CD2-CE1 4.37Å; L334-L601 HydrophobicContact CB-CD1 4.29Å; L334-L601 HydrophobicContact CB-CD2 4.15Å
335L94.4Very high84Confident1 Ų125.7 Ų25.71%0.00514%0.143CC..Hα-helixtrans-61.3-43.9176.2-64.5176.3000111.5L331 C332 V338 Q339 L594 A597 H598 L601 L618L331-L335 HydrophobicContact CD1-CD1 4.5Å; L331-L335 HydrophobicContact CD1-CG 4.31Å; L331-L335 HydrophobicContact CG-CD1 4.08Å; L331-L335 HydrophobicContact CG-CG 4.31Å; L331-L335 VanDerWaalsContact O-CG 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.39Å; L331-L335 PolarHBondContact O-N 3.45Å; C332-L335 PolarHBondContact O-N 2.97Å; L335-V338 PolarHBondContact O-N 2.9Å; L335-Q339 WeakPolarHBondContact O-CB 3.44Å; L335-Q339 PolarHBondContact O-N 3.05Å; L335-L594 HydrophobicContact CD1-CD2 4.06Å; L335-A597 HydrophobicContact CB-CB 3.96Å; L335-A597 HydrophobicContact CD2-CB 3.88Å; L335-A597 HydrophobicContact CG-CB 4.49Å; L335-H598 VanDerWaalsContact CD2-CA 3.43Å; L335-H598 HydrophobicContact CD2-CB 3.88Å; L335-L601 HydrophobicContact CD2-CB 4.46Å; L335-L601 HydrophobicContact CD2-CD2 4.1Å; L335-L618 HydrophobicContact CD1-CD1 3.68Å
336S94.1Very high82.9Confident2 Ų227.5 Ų27.51%0.01415%0.152CC..Hα-helixtrans-65.5-37.1177.5-171.70000112.4C332 L333 L334 Q339 T340 L349 W464C332-S336 WeakPolarHBondContact O-CB 3.47Å; C332-S336 PolarHBondContact O-N 3.41Å; L333-S336 PolarHBondContact O-N 3.37Å; L334-S336 PolarHBondContact O-N 2.97Å; S336-Q339 CarbonylContact O-C 3.56Å; S336-Q339 PolarHBondContact O-N 3.43Å; S336-T340 WeakPolarHBondContact O-CG2 3.09Å; S336-L349 PolarHBondContact OG-O 2.86Å; S336-W464 PolarHBondContact OG-NE1 3.34Å
337L92.3Very high81.8Confident0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-64.7-39.1174.7-75.9167.6000112.9L333 L334 T340 S368 L371 A372 I412 W464 V546L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 VanDerWaalsContact O-CG 3.26Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.37Å; L334-L337 PolarHBondContact O-N 3.29Å; L337-T340 PolarHBondContact O-OG1 3.42Å; L337-S368 WeakPolarHBondContact CD2-O 3.48Å; L337-L371 HydrophobicContact CD1-CB 4.18Å; L337-L371 HydrophobicContact CD1-CD1 4.34Å; L337-A372 HydrophobicContact CD2-CB 3.59Å; L337-I412 HydrophobicContact CD2-CD1 3.73Å; L337-I412 HydrophobicContact CG-CD1 4.31Å; L337-W464 HydrophobicContact CD1-CH2 4.49Å; L337-W464 HydrophobicContact CD2-CH2 3.98Å; L337-W464 HydrophobicContact CD2-CZ2 4.42Å; L337-W464 HydrophobicContact CG-CH2 3.99Å; L337-W464 HydrophobicContact CG-CZ2 4.2Å; L337-V546 HydrophobicContact CB-CG1 4.15Å; L337-V546 HydrophobicContact CB-CG2 4.28Å; L337-V546 HydrophobicContact CD1-CG2 4.48Å
338V90.1Very high81.1Confident0 Ų027.1 Ų27.10%016%0.158CC..Hα-helixtrans-74.5-33.8179.21720000111.4L334 L335 T340 K600 L601L334-V338 WeakPolarHBondContact O-CG2 3.17Å; L334-V338 PolarHBondContact O-N 3.48Å; L335-V338 PolarHBondContact O-N 2.9Å; V338-T340 VanDerWaalsContact C-N 3.28Å; V338-T340 PolarHBondContact O-N 3.46Å; V338-K600 HydrophobicContact CG1-CB 3.31Å; V338-K600 HydrophobicContact CG1-CD 3.83Å; V338-K600 HydrophobicContact CG1-CG 4.2Å; V338-L601 HydrophobicContact CG2-CD1 4.25Å
339Q87Confident80.9Confident6 Ų626.3 Ų26.33%0.02815%0.153CC..THydrogen-bonded Turntrans-91.244.6178.5-159.970-1.700112.6L335 S336 L349 N462 E596 A597L335-Q339 WeakPolarHBondContact O-CB 3.44Å; L335-Q339 PolarHBondContact O-N 3.05Å; S336-Q339 CarbonylContact O-C 3.56Å; S336-Q339 PolarHBondContact O-N 3.43Å; Q339-L349 HydrophobicContact CB-CD1 3.65Å; Q339-L349 HydrophobicContact CB-CG 4.24Å; Q339-L349 HydrophobicContact CG-CD1 3.96Å; Q339-L349 HydrophobicContact CG-CG 4.16Å; Q339-N462 PolarHBondContact O-ND2 3.07Å; Q339-N462 VanDerWaalsContact O-ND2 3.12Å; Q339-E596 PolarHBondContact NE2-OE2 2.79Å; Q339-A597 HydrophobicContact CB-CB 4.05Å
340T80.9Confident80.9Confident2 Ų226.3 Ų26.31%0.01215%0.153CC..  trans-98.6106166.957.70000109.3S336 L337 V338 I412 R550S336-T340 WeakPolarHBondContact O-CG2 3.09Å; L337-T340 PolarHBondContact O-OG1 3.42Å; V338-T340 VanDerWaalsContact C-N 3.28Å; V338-T340 PolarHBondContact O-N 3.46Å; T340-I412 HydrophobicContact CG2-CD1 3.94Å; T340-I412 HydrophobicContact CG2-CG1 3.65Å; T340-R550 PolarHBondContact O-NE 2.82Å; T340-R550 WeakPolarHBondContact OG1-CD 3.36Å; T340-R550 PolarHBondContact OG1-NE 3.38Å
341R69.1Low80.9Confident59 Ų5926.4 Ų26.422%0.22315%0.153CC..  trans-124.7159.9178.7-67-174.6124.2-171.6-1.6111.5D346 Q553R341-D346 WeakPolarHBondContact CD-OD2 3.39Å; R341-D346 IonicContact CZ-OD2 3.86Å; R341-D346 IonicContact NE-OD2 2.72Å; R341-D346 IonicContact NH1-OD2 2.9Å; R341-D346 PolarHBondContact NH1-OD2 3.16Å; R341-Q553 VanDerWaalsContact NH2-CD 3.28Å
342T59.6Low80.9Confident48 Ų4826.5 Ų26.529%0.29415%0.154SC..  trans-93.3-8.1-176.547.30000113.8
343D61.8Low80.8Confident100 Ų10026.3 Ų26.354%0.53515%0.153SC..  trans-86138.1-173.9-62.7-25.7000111.1D345D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 3.25Å
344A54.7Low80.5Confident78 Ų7827.8 Ų27.865%0.64516%0.162SC*.THydrogen-bonded Turntrans-73.9-21.1-168.400000114.4
345D57.3Low80.1Confident137 Ų13727.9 Ų27.973%0.73316%0.162SC*.THydrogen-bonded Turntrans-93.2-9.5-173.4-75.4-31.9000113.8D343D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 3.25Å
346D62.2Low79.4Confident57 Ų5731 Ų3131%0.30519%0.188SC..SBendtrans-80.1141.8-175.5-83.7-6.5000111.8R341 S348R341-D346 WeakPolarHBondContact CD-OD2 3.39Å; R341-D346 IonicContact CZ-OD2 3.86Å; R341-D346 IonicContact NE-OD2 2.72Å; R341-D346 IonicContact NH1-OD2 2.9Å; R341-D346 PolarHBondContact NH1-OD2 3.16Å; D346-S348 PolarHBondContact O-N 3.47Å
347P65Low78.8Confident27 Ų2733.6 Ų33.618%0.17520%0.201CC..PPolyproline II helixtrans-70.1125.2-179.2-10.526.6000111K589 S593P347-K589 HydrophobicContact CB-CB 3.82Å; P347-K589 HydrophobicContact CG-CB 3.54Å; P347-K589 HydrophobicContact CG-CD 4.31Å; P347-K589 HydrophobicContact CG-CG 4.09Å; P347-K589 WeakPolarHBondContact CG-O 3.09Å; P347-S593 WeakPolarHBondContact CB-OG 3.36Å; P347-S593 WeakPolarHBondContact CD-OG 3.07Å; P347-S593 WeakPolarHBondContact CG-OG 3.44Å; P347-S593 PolarHBondContact O-OG 2.86Å
348S76.6Confident78.5Confident28 Ų2835.7 Ų35.720%0.19622%0.215CC..PPolyproline II helixtrans-75.9136.717350.40000111.9D346 D350 R436 N462D346-S348 PolarHBondContact O-N 3.47Å; S348-D350 PolarHBondContact O-N 2.9Å; S348-R436 VanDerWaalsContact CB-NH1 3.33Å; S348-R436 PolarHBondContact OG-NE 2.87Å; S348-R436 PolarHBondContact OG-NH1 2.92Å; S348-R436 PolarHBondContact OG-NH2 3.01Å; S348-N462 VanDerWaalsContact CA-OD1 3.22Å; S348-N462 WeakPolarHBondContact CA-OD1 3.46Å; S348-N462 WeakPolarHBondContact CB-OD1 3.36Å
349L87.9Confident78.4Confident2 Ų240.2 Ų40.21%0.0124%0.238CC..  trans-95.578.4174.9-65.5-174.9000110.5S336 Q339 N462 L590 L594 A597S336-L349 PolarHBondContact OG-O 2.86Å; Q339-L349 HydrophobicContact CB-CD1 3.65Å; Q339-L349 HydrophobicContact CB-CG 4.24Å; Q339-L349 HydrophobicContact CG-CD1 3.96Å; Q339-L349 HydrophobicContact CG-CG 4.16Å; L349-N462 PolarHBondContact N-OD1 3.27Å; L349-L590 HydrophobicContact CD2-CD1 3.36Å; L349-L594 HydrophobicContact CD1-CD2 4.35Å; L349-L594 HydrophobicContact CD2-CD2 4.26Å; L349-L594 HydrophobicContact CD2-CG 4.11Å; L349-A597 HydrophobicContact CD1-CB 4.26Å
350D92.3Very high78.4Confident1 Ų140.6 Ų40.61%0.00524%0.241CC..  trans-77.5136172.5-50.9-47000111S348 R436 F463 F497 G498 L499S348-D350 PolarHBondContact O-N 2.9Å; D350-R436 IonicContact OD1-NH1 3.87Å; D350-R436 PolarHBondContact OD1-NH1 2.81Å; D350-R436 IonicContact OD2-CZ 3.68Å; D350-R436 VanDerWaalsContact OD2-CZ 3.24Å; D350-R436 IonicContact OD2-NH1 3.99Å; D350-R436 PolarHBondContact OD2-NH1 3.5Å; D350-R436 VanDerWaalsContact OD2-NH1 3.08Å; D350-R436 IonicContact OD2-NH2 2.6Å; D350-R436 PolarHBondContact OD2-NH2 3.37Å; D350-F463 CarbonylContact C-O 3.57Å; D350-F463 VanDerWaalsContact CA-O 3.3Å; D350-F463 WeakPolarHBondContact CA-O 3.35Å; D350-F463 HydrophobicContact CB-CB 4.35Å; D350-F463 PolarHBondContact OD1-N 3.13Å; D350-F497 HydrophobicContact CB-CD1 3.82Å; D350-F497 HydrophobicContact CB-CE1 4.48Å; D350-G498 PolarHBondContact O-N 3.17Å; D350-L499 PolarHBondContact O-N 3.24Å
351L94.3Very high78.9Confident3 Ų340.5 Ų40.52%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-122.5124.1-172.4-178.367.1000110.5L329 C332 L333 V353 F463 W464 A465 L499 V501L329-L351 HydrophobicContact CD1-CD2 3.93Å; C332-L351 HydrophobicContact CB-CD1 4.21Å; L333-L351 HydrophobicContact CD2-CD2 3.55Å; L333-L351 HydrophobicContact CG-CD2 4.16Å; L351-V353 HydrophobicContact CD2-CG2 4.11Å; L351-V353 HydrophobicContact CG-CG2 4.03Å; L351-F463 PolarHBondContact N-O 2.99Å; L351-W464 WeakPolarHBondContact O-CA 3.25Å; L351-A465 PolarHBondContact O-N 2.98Å; L351-L499 WeakPolarHBondContact CA-O 3.39Å; L351-L499 HydrophobicContact CD1-CB 3.93Å; L351-V501 HydrophobicContact CD1-CG2 3.73Å
352L94Very high79.9Confident2 Ų239.5 Ų39.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-111.4122.4168.717863.4000109.8L418 A465 T467 A494 F497 L499 V500 V501L352-L418 HydrophobicContact CD1-CD1 3.73Å; L352-A465 HydrophobicContact CD1-CB 3.86Å; L352-T467 HydrophobicContact CD1-CG2 4.09Å; L352-T467 HydrophobicContact CG-CG2 4.46Å; L352-A494 HydrophobicContact CD2-CB 4.09Å; L352-F497 HydrophobicContact CB-CB 4.03Å; L352-F497 HydrophobicContact CB-CD1 3.85Å; L352-F497 HydrophobicContact CB-CD2 4.01Å; L352-F497 HydrophobicContact CB-CE1 4.33Å; L352-F497 HydrophobicContact CB-CE2 4.47Å; L352-F497 HydrophobicContact CB-CG 3.69Å; L352-F497 HydrophobicContact CD2-CD2 4.01Å; L352-F497 HydrophobicContact CD2-CE2 4.37Å; L352-F497 HydrophobicContact CD2-CG 4.49Å; L352-F497 HydrophobicContact CG-CD2 4.48Å; L352-L499 PolarHBondContact N-O 2.86Å; L352-V500 HydrophobicContact CB-CG2 4.25Å; L352-V500 HydrophobicContact CD2-CG2 4.24Å; L352-V500 CarbonylContact O-C 3.59Å; L352-V500 WeakPolarHBondContact O-CA 3.3Å; L352-V501 PolarHBondContact O-N 2.71Å
353V92.6Very high81.4Confident0 Ų043.7 Ų43.70%025%0.25CC..EExtended strand (participates in β ladder)trans-105122.3179.2-1770000109.6L329 L351 L361 M365 A465 L466 T467 V501 C503L329-V353 HydrophobicContact CD1-CG1 4.42Å; L329-V353 HydrophobicContact CD1-CG2 3.5Å; L329-V353 VanDerWaalsContact CD1-CG2 3.5Å; L329-V353 HydrophobicContact CD2-CG1 4.12Å; L329-V353 HydrophobicContact CD2-CG2 4.47Å; L351-V353 HydrophobicContact CD2-CG2 4.11Å; L351-V353 HydrophobicContact CG-CG2 4.03Å; V353-L361 HydrophobicContact CG1-CD1 3.65Å; V353-M365 HydrophobicContact CB-SD 4.35Å; V353-M365 HydrophobicContact CG2-CE 4.19Å; V353-M365 HydrophobicContact CG2-SD 3.82Å; V353-A465 PolarHBondContact N-O 3.32Å; V353-L466 HydrophobicContact CB-CD2 3.81Å; V353-L466 HydrophobicContact CB-CG 4.42Å; V353-L466 HydrophobicContact CG1-CD2 3.9Å; V353-L466 CarbonylContact O-C 3.52Å; V353-L466 WeakPolarHBondContact O-CA 3.36Å; V353-T467 PolarHBondContact O-N 2.89Å; V353-V501 WeakPolarHBondContact CA-O 3.28Å; V353-C503 HydrophobicContact CG1-CB 4.34Å
354V89.1Confident82.8Confident31 Ų3139 Ų3919%0.18822%0.224CC..EExtended strand (participates in β ladder)trans-102.5116.9177.2-177.50000108.3T467 V500 V501 Q502 C503V354-T467 HydrophobicContact CB-CG2 4.1Å; V354-T467 HydrophobicContact CG1-CG2 4.23Å; V354-T467 HydrophobicContact CG2-CG2 3.65Å; V354-V500 HydrophobicContact CG2-CG1 3.88Å; V354-V501 PolarHBondContact N-O 3.14Å; V354-Q502 HydrophobicContact CB-CG 4.46Å; V354-Q502 CarbonylContact O-C 3.44Å; V354-Q502 WeakPolarHBondContact O-CA 3.18Å; V354-C503 PolarHBondContact O-N 3.09Å
355T86.4Confident84.7Confident2 Ų235.2 Ų35.21%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-144.9160.6-175.5-169.80000113.2D357 T358 L361 L466 T467 D468 S469 C503T355-D357 WeakPolarHBondContact CG2-O 3.41Å; T355-D357 PolarHBondContact OG1-N 2.94Å; T355-D357 VanDerWaalsContact OG1-N 3.14Å; T355-D357 PolarHBondContact OG1-O 3.44Å; T355-T358 HydrophobicContact CG2-CG2 4.07Å; T355-L361 VanDerWaalsContact CB-CD1 3.42Å; T355-L361 HydrophobicContact CG2-CD1 3.71Å; T355-L361 HydrophobicContact CG2-CG 4.41Å; T355-L361 WeakPolarHBondContact OG1-CD1 3.31Å; T355-L466 HydrophobicContact CG2-CD2 4.19Å; T355-T467 PolarHBondContact N-O 3.3Å; T355-D468 CarbonylContact O-C 3.06Å; T355-D468 WeakPolarHBondContact O-CA 3.47Å; T355-S469 PolarHBondContact O-N 3.49Å; T355-S469 PolarHBondContact O-OG 3.25Å; T355-S469 VanDerWaalsContact O-OG 3.05Å; T355-C503 WeakPolarHBondContact CA-O 3.45Å; T355-C503 WeakPolarHBondContact CB-O 3.41Å; T355-C503 PolarHBondContact OG1-O 2.74Å
356A81Confident86.3Confident65 Ų6530 Ų3054%0.53717%0.169SC..SBendtrans-92.3-21.7166.300000112.2S469A356-S469 WeakPolarHBondContact CA-OG 3.37Å; A356-S469 PolarHBondContact N-OG 3.14Å
357D80.9Confident87.7Confident57 Ų5729.1 Ų29.131%0.30516%0.162SC..  trans-108.888.1176.8-174.1-12.6000109.4T355 L359 V360T355-D357 WeakPolarHBondContact CG2-O 3.41Å; T355-D357 PolarHBondContact OG1-N 2.94Å; T355-D357 VanDerWaalsContact OG1-N 3.14Å; T355-D357 PolarHBondContact OG1-O 3.44Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 2.74Å; D357-L359 PolarHBondContact OD1-N 3.25Å; D357-L359 VanDerWaalsContact OD1-N 3.16Å; D357-V360 PolarHBondContact OD1-N 3.42Å; D357-V360 VanDerWaalsContact OD1-N 3.09Å; D357-V360 WeakPolarHBondContact OD2-CG2 3.44Å
358T85.4Confident89.1Confident45 Ų4527.9 Ų27.928%0.27615%0.154SC..Hα-helixtrans-70.3-2718054.30000112.1T355 D362 D468T355-T358 HydrophobicContact CG2-CG2 4.07Å; T358-D362 WeakPolarHBondContact O-CB 3.44Å; T358-D362 PolarHBondContact O-N 2.89Å; T358-D468 HydrophobicContact CG2-CB 4.04Å
359L87.6Confident89.8Confident94 Ų9426.5 Ų26.549%0.49214%0.144SC..Hα-helixtrans-76.1-46.3-171.4-178.3135000112.4D357 R363D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 2.74Å; D357-L359 PolarHBondContact OD1-N 3.25Å; D357-L359 VanDerWaalsContact OD1-N 3.16Å; L359-R363 WeakPolarHBondContact O-CG 3.01Å; L359-R363 PolarHBondContact O-N 3.19Å
360V88.4Confident89.8Confident14 Ų1427.1 Ų27.19%0.08515%0.149CC..Hα-helixtrans-67-43.6178.9175.10000110.5T321 Y326 D357 R363 L364 Q515T321-V360 HydrophobicContact CG2-CG1 3.67Å; Y326-V360 HydrophobicContact CE2-CG1 4.27Å; D357-V360 PolarHBondContact OD1-N 3.42Å; D357-V360 VanDerWaalsContact OD1-N 3.09Å; D357-V360 WeakPolarHBondContact OD2-CG2 3.44Å; V360-R363 PolarHBondContact O-N 3.37Å; V360-L364 PolarHBondContact O-N 3.35Å; V360-Q515 HydrophobicContact CG2-CG 4.18Å
361L90.1Very high89.6Confident0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-71.1-36.2-179.6-64.1-167.2000113.1Y326 L329 V353 T355 R363 L364 M365 L466 C503Y326-L361 HydrophobicContact CD1-CD2 4.31Å; Y326-L361 HydrophobicContact CD2-CD2 3.37Å; Y326-L361 HydrophobicContact CE1-CD2 4.36Å; Y326-L361 HydrophobicContact CE2-CD2 3.42Å; Y326-L361 VanDerWaalsContact CE2-CD2 3.42Å; Y326-L361 HydrophobicContact CE2-CG 4.37Å; Y326-L361 HydrophobicContact CG-CD2 3.86Å; L329-L361 HydrophobicContact CD2-CD1 4.07Å; L329-L361 HydrophobicContact CD2-CD2 3.72Å; L329-L361 HydrophobicContact CD2-CG 4.4Å; V353-L361 HydrophobicContact CG1-CD1 3.65Å; T355-L361 VanDerWaalsContact CB-CD1 3.42Å; T355-L361 HydrophobicContact CG2-CD1 3.71Å; T355-L361 HydrophobicContact CG2-CG 4.41Å; T355-L361 WeakPolarHBondContact OG1-CD1 3.31Å; L361-R363 VanDerWaalsContact C-N 3.3Å; L361-R363 PolarHBondContact O-N 3.32Å; L361-L364 HydrophobicContact CD2-CD2 4.32Å; L361-L364 PolarHBondContact O-N 3.18Å; L361-M365 WeakPolarHBondContact O-CB 3.03Å; L361-M365 VanDerWaalsContact O-CG 3.28Å; L361-M365 WeakPolarHBondContact O-CG 3.48Å; L361-M365 PolarHBondContact O-N 3.45Å; L361-L466 HydrophobicContact CB-CD2 3.89Å; L361-C503 HydrophobicContact CD1-CB 3.4Å; L361-C503 VanDerWaalsContact CD1-CB 3.4Å
362D91Very high89.2Confident38 Ų3827.5 Ų27.520%0.20315%0.151CC..Hα-helixtrans-60.2-41172.8-178.663.5000111.6T358 M365 A366 R377 M414 L466T358-D362 WeakPolarHBondContact O-CB 3.44Å; T358-D362 PolarHBondContact O-N 2.89Å; D362-M365 PolarHBondContact O-N 2.73Å; D362-A366 VanDerWaalsContact O-CB 3.29Å; D362-A366 WeakPolarHBondContact O-CB 3.18Å; D362-A366 PolarHBondContact O-N 3.22Å; D362-R377 IonicContact OD1-CZ 2.6Å; D362-R377 VanDerWaalsContact OD1-CZ 3.28Å; D362-R377 IonicContact OD1-NH1 3.29Å; D362-R377 PolarHBondContact OD1-NH1 3.29Å; D362-R377 IonicContact OD1-NH2 3.08Å; D362-R377 PolarHBondContact OD1-NH2 3.19Å; D362-R377 IonicContact OD2-CZ 3.94Å; D362-R377 IonicContact OD2-NH1 3.24Å; D362-R377 PolarHBondContact OD2-NH1 3.44Å; D362-R377 IonicContact OD2-NH2 3.16Å; D362-R377 PolarHBondContact OD2-NH2 2.84Å; D362-M414 WeakPolarHBondContact OD1-CE 3.4Å; D362-L466 HydrophobicContact CB-CD1 3.89Å
363R90.9Very high88.4Confident137 Ų13730 Ų3052%0.51717%0.168SC..Hα-helixtrans-65.5-43.3173.9-70.8176.4-175.2-174.12112.4L320 L359 V360 L361 A366 Y367L320-R363 HydrophobicContact CD2-CB 4.39Å; L359-R363 WeakPolarHBondContact O-CG 3.01Å; L359-R363 PolarHBondContact O-N 3.19Å; V360-R363 PolarHBondContact O-N 3.37Å; L361-R363 VanDerWaalsContact C-N 3.3Å; L361-R363 PolarHBondContact O-N 3.32Å; R363-A366 PolarHBondContact O-N 3.44Å; R363-Y367 WeakPolarHBondContact O-CB 3.22Å; R363-Y367 PolarHBondContact O-N 2.94Å
364L92.1Very high88.1Confident0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-61.9-43.9176.9-179.364.9000111.4F316 L320 T321 L329 K330 L333 V360 L361 Y367 S368F316-L364 HydrophobicContact CD1-CD1 4.46Å; F316-L364 HydrophobicContact CE1-CD1 4.44Å; L320-L364 HydrophobicContact CD1-CD1 4.4Å; T321-L364 HydrophobicContact CG2-CD2 4.45Å; L329-L364 HydrophobicContact CD2-CD2 4.26Å; K330-L364 HydrophobicContact CG-CD2 4.16Å; L333-L364 HydrophobicContact CD1-CD2 4.45Å; L333-L364 HydrophobicContact CD1-CG 4.31Å; V360-L364 PolarHBondContact O-N 3.35Å; L361-L364 HydrophobicContact CD2-CD2 4.32Å; L361-L364 PolarHBondContact O-N 3.18Å; L364-Y367 PolarHBondContact O-N 3.26Å; L364-S368 PolarHBondContact O-N 3.43Å; L364-S368 PolarHBondContact O-OG 3.08Å
365M93.3Very high88.1Confident0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-67.2-38.4176.4-69.4179.570.900111.9L333 V353 L361 D362 S368 L369 M414 W464 L466L333-M365 HydrophobicContact CD1-CG 4.18Å; L333-M365 HydrophobicContact CD2-CG 4.1Å; V353-M365 HydrophobicContact CB-SD 4.35Å; V353-M365 HydrophobicContact CG2-CE 4.19Å; V353-M365 HydrophobicContact CG2-SD 3.82Å; L361-M365 WeakPolarHBondContact O-CB 3.03Å; L361-M365 VanDerWaalsContact O-CG 3.28Å; L361-M365 WeakPolarHBondContact O-CG 3.48Å; L361-M365 PolarHBondContact O-N 3.45Å; D362-M365 PolarHBondContact O-N 2.73Å; M365-S368 WeakPolarHBondContact O-CB 3.26Å; M365-S368 PolarHBondContact O-N 3.46Å; M365-L369 WeakPolarHBondContact O-CB 3.3Å; M365-L369 PolarHBondContact O-N 2.8Å; M365-M414 HydrophobicContact CB-CE 3.57Å; M365-M414 HydrophobicContact CB-SD 4.17Å; M365-M414 HydrophobicContact CE-CE 4.5Å; M365-W464 HydrophobicContact CB-CE3 4.5Å; M365-W464 HydrophobicContact CE-CB 3.58Å; M365-W464 HydrophobicContact CE-CD2 4.24Å; M365-W464 HydrophobicContact CE-CE3 4.23Å; M365-W464 HydrophobicContact CE-CG 4.01Å; M365-W464 WeakPolarHBondContact O-CZ3 3.4Å; M365-L466 HydrophobicContact CE-CG 4.47Å; M365-L466 HydrophobicContact SD-CD1 3.72Å; M365-L466 HydrophobicContact SD-CD2 3.74Å; M365-L466 HydrophobicContact SD-CG 3.6Å
366A92.1Very high88.4Confident27 Ų2729.6 Ų29.622%0.22316%0.163CC..Hα-helixtrans-64.2-40173.700000112.3D362 R363 L369 S370D362-A366 VanDerWaalsContact O-CB 3.29Å; D362-A366 WeakPolarHBondContact O-CB 3.18Å; D362-A366 PolarHBondContact O-N 3.22Å; R363-A366 PolarHBondContact O-N 3.44Å; A366-L369 WeakPolarHBondContact O-CB 3.47Å; A366-L369 PolarHBondContact O-N 2.83Å; A366-S370 PolarHBondContact O-N 3.1Å
367Y91.8Very high88.9Confident39 Ų3929.8 Ų29.815%0.15315%0.15CC..Hα-helixtrans-60.1-49171.7168.4-98.3000111.3F316 L320 R363 L364 L369 S370 L371 T539F316-Y367 HydrophobicContact CD2-CE1 4.3Å; F316-Y367 HydrophobicContact CE1-CD1 4.41Å; F316-Y367 HydrophobicContact CE1-CE1 4.4Å; F316-Y367 HydrophobicContact CE2-CD1 4.48Å; F316-Y367 AromaticContact CE2-CE1 3.78Å; F316-Y367 HydrophobicContact CE2-CE1 3.78Å; F316-Y367 HydrophobicContact CZ-CD1 4.07Å; F316-Y367 AromaticContact CZ-CE1 3.83Å; F316-Y367 HydrophobicContact CZ-CE1 3.83Å; L320-Y367 VanDerWaalsContact CD1-CB 3.5Å; L320-Y367 HydrophobicContact CD1-CG 3.98Å; R363-Y367 WeakPolarHBondContact O-CB 3.22Å; R363-Y367 PolarHBondContact O-N 2.94Å; L364-Y367 PolarHBondContact O-N 3.26Å; Y367-L369 VanDerWaalsContact C-N 3.28Å; Y367-L369 PolarHBondContact O-N 3.26Å; Y367-S370 WeakPolarHBondContact O-CB 3.22Å; Y367-S370 PolarHBondContact O-N 3.24Å; Y367-S370 PolarHBondContact O-OG 2.8Å; Y367-L371 HydrophobicContact CE1-CD1 4.12Å; Y367-T539 HydrophobicContact CE2-CG2 3.86Å; Y367-T539 PolarHBondContact OH-OG1 3.48Å
368S92.6Very high89.4Confident0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-58.1-40.9175.8-57.90000112.2F316 L337 L364 M365 S370 L371F316-S368 WeakPolarHBondContact CE1-OG 3.43Å; F316-S368 VanDerWaalsContact CZ-OG 3.31Å; F316-S368 WeakPolarHBondContact CZ-OG 3.47Å; L337-S368 WeakPolarHBondContact CD2-O 3.48Å; L364-S368 PolarHBondContact O-N 3.43Å; L364-S368 PolarHBondContact O-OG 3.08Å; M365-S368 WeakPolarHBondContact O-CB 3.26Å; M365-S368 PolarHBondContact O-N 3.46Å; S368-S370 PolarHBondContact O-N 2.83Å; S368-L371 WeakPolarHBondContact O-CB 3.4Å; S368-L371 PolarHBondContact O-N 3.13Å
369L91.8Very high89.4Confident0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-61.5-30.9178.6-171.169.1000111.8M365 A366 Y367 L371 A372 R377 I412 M414 W464M365-L369 WeakPolarHBondContact O-CB 3.3Å; M365-L369 PolarHBondContact O-N 2.8Å; A366-L369 WeakPolarHBondContact O-CB 3.47Å; A366-L369 PolarHBondContact O-N 2.83Å; Y367-L369 VanDerWaalsContact C-N 3.28Å; Y367-L369 PolarHBondContact O-N 3.26Å; L369-L371 PolarHBondContact O-N 2.99Å; L369-A372 WeakPolarHBondContact O-CB 3.29Å; L369-A372 PolarHBondContact O-N 3.16Å; L369-R377 HydrophobicContact CD2-CB 3.86Å; L369-I412 HydrophobicContact CD1-CB 3.86Å; L369-I412 HydrophobicContact CD1-CG2 3.83Å; L369-M414 HydrophobicContact CD1-CB 4.48Å; L369-M414 HydrophobicContact CD2-CB 3.95Å; L369-M414 HydrophobicContact CD2-SD 4.37Å; L369-W464 HydrophobicContact CB-CZ3 4.09Å; L369-W464 HydrophobicContact CD1-CE3 4.46Å; L369-W464 HydrophobicContact CD1-CZ3 4.34Å
370S87.5Confident88.8Confident15 Ų1530.1 Ų30.111%0.10516%0.159CC..THydrogen-bonded Turntrans-69.9-16.5176.684.60000114.1A366 Y367 S368A366-S370 PolarHBondContact O-N 3.1Å; Y367-S370 WeakPolarHBondContact O-CB 3.22Å; Y367-S370 PolarHBondContact O-N 3.24Å; Y367-S370 PolarHBondContact O-OG 2.8Å; S368-S370 PolarHBondContact O-N 2.83Å
371L87.9Confident88.3Confident9 Ų934.8 Ų34.85%0.04719%0.192CC..THydrogen-bonded Turntrans-88.1-16.7174.4-55.6174.2000112.2F316 L337 Y367 S368 L369 T539 Q543F316-L371 HydrophobicContact CE2-CD1 3.41Å; F316-L371 VanDerWaalsContact CE2-CD1 3.41Å; F316-L371 HydrophobicContact CZ-CD1 3.69Å; L337-L371 HydrophobicContact CD1-CB 4.18Å; L337-L371 HydrophobicContact CD1-CD1 4.34Å; Y367-L371 HydrophobicContact CE1-CD1 4.12Å; S368-L371 WeakPolarHBondContact O-CB 3.4Å; S368-L371 PolarHBondContact O-N 3.13Å; L369-L371 PolarHBondContact O-N 2.99Å; L371-T539 HydrophobicContact CD2-CG2 3.67Å; L371-Q543 HydrophobicContact CD2-CG 3.46Å; L371-Q543 VanDerWaalsContact CD2-CG 3.46Å
372A86.8Confident87.9Confident3 Ų336.6 Ų36.63%0.02521%0.207CC..SBendtrans-66.9139.3178.600000110.4L337 L369 R374 I412L337-A372 HydrophobicContact CD2-CB 3.59Å; L369-A372 WeakPolarHBondContact O-CB 3.29Å; L369-A372 PolarHBondContact O-N 3.16Å; A372-R374 PolarHBondContact O-N 3.4Å; A372-I412 HydrophobicContact CB-CD1 4.27Å; A372-I412 HydrophobicContact CB-CG1 4.43Å
373C78.3Confident87.8Confident53 Ų5340.5 Ų40.536%0.35822%0.224SC..SBendtrans-56.3-35.4172.9-176.90000111.5R221 R550R221-C373 PolarHBondContact NH2-O 2.63Å; C373-R550 PolarHBondContact SG-NH1 2.75Å
374R85.1Confident87.6Confident25 Ų2534.7 Ų34.79%0.09420%0.203CC..SBendtrans-138.5103.5170.9-171.7-174.3-61.1-93.7-3.9110.4G248 A372 L407 S409 G411 I412G248-R374 PolarHBondContact O-NH1 3.07Å; A372-R374 PolarHBondContact O-N 3.4Å; R374-L407 WeakPolarHBondContact CD-O 3.36Å; R374-S409 WeakPolarHBondContact CD-O 3.48Å; R374-S409 PolarHBondContact NE-O 2.99Å; R374-G411 CarbonylContact O-C 3.56Å; R374-G411 VanDerWaalsContact O-CA 3.26Å; R374-G411 WeakPolarHBondContact O-CA 3.31Å; R374-I412 PolarHBondContact O-N 2.85Å
375G89.3Confident87.5Confident0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-112.1138.7172.300000111.4R221 I412R221-G375 WeakPolarHBondContact CG-O 3.22Å; G375-I412 WeakPolarHBondContact CA-O 3.45Å
376V92Very high87.4Confident0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-132.2122.2171.5176.80000108.3L220 L407 A408 I412 C413 M414L220-V376 HydrophobicContact CB-CG1 4.14Å; L220-V376 HydrophobicContact CD1-CG1 4.14Å; V376-L407 HydrophobicContact CG2-CB 4.28Å; V376-A408 HydrophobicContact CB-CB 3.97Å; V376-A408 HydrophobicContact CG2-CB 3.85Å; V376-I412 PolarHBondContact N-O 3.44Å; V376-C413 CarbonylContact O-C 3.56Å; V376-C413 WeakPolarHBondContact O-CA 3.34Å; V376-M414 PolarHBondContact O-N 2.84Å
377R92.3Very high87.2Confident70 Ų7036.4 Ų36.426%0.26421%0.213SC..EExtended strand (participates in β ladder)trans-93.4116.5170.4-173.1177.8172.399.7-2.6108.6L220 D362 L369 M414L220-R377 WeakPolarHBondContact O-CA 3.14Å; L220-R377 WeakPolarHBondContact O-CB 3.39Å; L220-R377 PolarHBondContact O-N 2.94Å; D362-R377 IonicContact OD1-CZ 2.6Å; D362-R377 VanDerWaalsContact OD1-CZ 3.28Å; D362-R377 IonicContact OD1-NH1 3.29Å; D362-R377 PolarHBondContact OD1-NH1 3.29Å; D362-R377 IonicContact OD1-NH2 3.08Å; D362-R377 PolarHBondContact OD1-NH2 3.19Å; D362-R377 IonicContact OD2-CZ 3.94Å; D362-R377 IonicContact OD2-NH1 3.24Å; D362-R377 PolarHBondContact OD2-NH1 3.44Å; D362-R377 IonicContact OD2-NH2 3.16Å; D362-R377 PolarHBondContact OD2-NH2 2.84Å; L369-R377 HydrophobicContact CD2-CB 3.86Å; R377-M414 HydrophobicContact CG-SD 4.4Å; R377-M414 PolarHBondContact NH1-SD 2.84Å
378H91.7Very high87.1Confident13 Ų1337.2 Ų37.26%0.0622%0.22CC..PPolyproline II helixtrans-66.8134.6177-179.665.4000110.4A382 M384 S404 M414 Y421H378-A382 PolarHBondContact CE1-O 2.92Å; H378-M384 VanDerWaalsContact CE1-CA 3.48Å; H378-M384 WeakPolarHBondContact CE1-CA 3.46Å; H378-M384 PolarHBondContact CE1-N 3.19Å; H378-S404 WeakPolarHBondContact ND1-CB 3.41Å; H378-S404 PolarHBondContact ND1-OG 2.99Å; H378-M414 WeakPolarHBondContact CB-O 3.37Å; H378-M414 PolarHBondContact N-O 2.98Å; H378-Y421 PolarHBondContact CD2-OH 2.95Å
379Q84.4Confident86.7Confident101 Ų10138.9 Ų38.947%0.47223%0.231SC..PPolyproline II helixtrans-103.7138.3174.7-63.5-175-8.800109.2S381 A382Q379-S381 PolarHBondContact O-N 2.99Å; Q379-A382 HydrophobicContact CB-CB 4.28Å; Q379-A382 WeakPolarHBondContact O-CB 3.22Å; Q379-A382 PolarHBondContact O-N 2.73Å
380A76.4Confident86Confident88 Ų8847.3 Ų47.373%0.72726%0.263SS*.THydrogen-bonded Turntrans-59.1-23.8-176.800000114.4
381S76.2Confident85.3Confident112 Ų11247.9 Ų47.978%0.78327%0.265SS*.THydrogen-bonded Turntrans-84.2-14176.155.70000114.2Q379Q379-S381 PolarHBondContact O-N 2.99Å
382A83Confident84.2Confident38 Ų3856.4 Ų56.431%0.31430%0.304SS..SBendtrans-93.5163.2-178.300000111.3H378 Q379H378-A382 PolarHBondContact CE1-O 2.92Å; Q379-A382 HydrophobicContact CB-CB 4.28Å; Q379-A382 WeakPolarHBondContact O-CB 3.22Å; Q379-A382 PolarHBondContact O-N 2.73Å
383E88.4Confident83.1Confident121 Ų12160.7 Ų60.757%0.56532%0.32SS*.  trans-79.9130.9171.7-66.1-63.8164.900110.4G403 S404E383-G403 WeakPolarHBondContact O-CA 3.49Å; E383-S404 PolarHBondContact O-N 2.91Å; E383-S404 PolarHBondContact O-OG 3.36Å
384M86.6Confident82.1Confident15 Ų1561.2 Ų61.27%0.07434%0.335CS..SBendtrans-77.6-40.1-178.7-173.8179.4-66.200111.5H378 G403 S404 A405 L415 Y421 I429H378-M384 VanDerWaalsContact CE1-CA 3.48Å; H378-M384 WeakPolarHBondContact CE1-CA 3.46Å; H378-M384 PolarHBondContact CE1-N 3.19Å; M384-G403 CarbonylContact O-C 3.57Å; M384-G403 WeakPolarHBondContact O-CA 3.26Å; M384-S404 PolarHBondContact O-N 3.25Å; M384-A405 PolarHBondContact O-N 2.74Å; M384-L415 HydrophobicContact CE-CD2 3.84Å; M384-L415 HydrophobicContact CG-CD2 4.15Å; M384-L415 HydrophobicContact SD-CD2 3.71Å; M384-Y421 HydrophobicContact CE-CD1 4.49Å; M384-Y421 HydrophobicContact CE-CE1 3.7Å; M384-Y421 HydrophobicContact CE-CE2 4.37Å; M384-I429 HydrophobicContact CE-CD1 3.89Å; M384-I429 HydrophobicContact CE-CG1 4.39Å; M384-I429 HydrophobicContact SD-CD1 3.78Å; M384-I429 HydrophobicContact SD-CG1 3.6Å
385F90.6Very high80.9Confident11 Ų1160.7 Ų60.75%0.04834%0.336CS..SBendtrans-117.7-178.9-178.2-55.5-68.3000110.1G403 A405 Y428 I429 V432 V438 F463F385-G403 WeakPolarHBondContact O-CA 3.34Å; F385-G403 PolarHBondContact O-N 3Å; F385-A405 HydrophobicContact CD1-CB 4.05Å; F385-A405 HydrophobicContact CE1-CB 4.13Å; F385-Y428 HydrophobicContact CB-CE1 3.9Å; F385-Y428 AromaticContact CD2-CD1 3.36Å; F385-Y428 HydrophobicContact CD2-CD1 3.36Å; F385-Y428 AromaticContact CD2-CE1 3.05Å; F385-Y428 HydrophobicContact CD2-CE1 3.05Å; F385-Y428 HydrophobicContact CD2-CG 4.44Å; F385-Y428 AromaticContact CD2-CZ 3.92Å; F385-Y428 AromaticContact CE2-CD1 3.49Å; F385-Y428 HydrophobicContact CE2-CD1 3.49Å; F385-Y428 VanDerWaalsContact CE2-CD1 3.49Å; F385-Y428 AromaticContact CE2-CE1 3.67Å; F385-Y428 HydrophobicContact CE2-CE1 3.67Å; F385-Y428 HydrophobicContact CE2-CG 4.25Å; F385-Y428 HydrophobicContact CG-CD1 4.37Å; F385-Y428 AromaticContact CG-CE1 3.68Å; F385-Y428 HydrophobicContact CG-CE1 3.68Å; F385-I429 HydrophobicContact CE2-CG1 4.07Å; F385-I429 HydrophobicContact CZ-CG1 4.04Å; F385-V432 HydrophobicContact CD1-CG1 4.29Å; F385-V432 HydrophobicContact CD1-CG2 4.19Å; F385-V432 HydrophobicContact CE1-CB 3.9Å; F385-V432 HydrophobicContact CE1-CG1 3.64Å; F385-V432 HydrophobicContact CE1-CG2 3.8Å; F385-V432 HydrophobicContact CE2-CG2 4.4Å; F385-V432 HydrophobicContact CZ-CB 4.03Å; F385-V432 HydrophobicContact CZ-CG1 4.26Å; F385-V432 HydrophobicContact CZ-CG2 3.88Å; F385-V438 HydrophobicContact CB-CG1 4.06Å; F385-V438 HydrophobicContact CB-CG2 4.16Å; F385-V438 HydrophobicContact CD1-CG2 3.57Å; F385-V438 HydrophobicContact CE1-CG2 4.35Å; F385-V438 HydrophobicContact CG-CG2 4.16Å; F385-F463 HydrophobicContact CE1-CZ 4.47Å
386A89.8Confident79.8Confident17 Ų1763.3 Ų63.314%0.1436%0.362CS..  trans-61140.2-175.700000112.4I400 H401 L406 V438 V440A386-I400 HydrophobicContact CB-CG2 4.23Å; A386-H401 VanDerWaalsContact CA-O 3.24Å; A386-H401 WeakPolarHBondContact CA-O 3.3Å; A386-L406 HydrophobicContact CB-CD1 3.79Å; A386-V438 HydrophobicContact CB-CG1 3.99Å; A386-V440 HydrophobicContact CB-CG2 3.41Å; A386-V440 VanDerWaalsContact CB-CG2 3.41Å
387S89Confident79.1Confident34 Ų3463.7 Ų63.724%0.23837%0.365CS..EExtended strand (participates in β ladder)trans-127.8161.2178.669.30000111.3I400 H401S387-I400 WeakPolarHBondContact O-CA 3.23Å; S387-H401 PolarHBondContact N-O 2.8Å; S387-H401 VanDerWaalsContact N-O 3.09Å; S387-H401 PolarHBondContact O-N 3.3Å
388L88.9Confident78.7Confident57 Ų5760.4 Ų60.430%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-112.9137.5-176.6-66.8178.6000111.1A398 I400 V440 F441 I442L388-A398 HydrophobicContact CD2-CB 4.08Å; L388-I400 HydrophobicContact CD2-CB 4.34Å; L388-I400 HydrophobicContact CD2-CG1 3.73Å; L388-I400 HydrophobicContact CD2-CG2 4.48Å; L388-V440 HydrophobicContact CD1-CG1 3.83Å; L388-V440 HydrophobicContact CD2-CG1 3.54Å; L388-V440 HydrophobicContact CG-CG1 3.63Å; L388-F441 WeakPolarHBondContact CD1-O 3.4Å; L388-I442 HydrophobicContact CD1-CB 4.42Å; L388-I442 HydrophobicContact CD1-CG1 3.81Å; L388-I442 HydrophobicContact CD2-CD1 4.36Å; L388-I442 HydrophobicContact CD2-CG1 3.89Å
389S85.1Confident78.6Confident35 Ų3560.1 Ų60.125%0.24535%0.351CS..EExtended strand (participates in β ladder)trans-131.8166.1168.669.10000110.6N399 H401 Y447S389-N399 PolarHBondContact N-O 2.6Å; S389-N399 PolarHBondContact O-N 3.08Å; S389-N399 PolarHBondContact OG-O 3.39Å; S389-H401 PolarHBondContact OG-CD2 2.79Å; S389-H401 PolarHBondContact OG-NE2 3.34Å; S389-Y447 PolarHBondContact O-OH 3.29Å
390R77.5Confident78.9Confident177 Ų17755.3 Ų55.367%0.66833%0.329SS*.EExtended strand (participates in β ladder)trans-77135169.8-74-177.3169.6-174.8-4.2109.3E392 Y447R390-E392 PolarHBondContact O-N 3.27Å; R390-Y447 HydrophobicContact CG-CE1 3.8Å
391D72.7Confident79.6Confident27 Ų2753.5 Ų53.514%0.14431%0.305CS..  trans-68.5119168.5176.132.1000110.2R393 G394 A395 T397D391-R393 VanDerWaalsContact C-N 3.31Å; D391-R393 PolarHBondContact OD1-N 2.9Å; D391-G394 PolarHBondContact OD2-N 2.79Å; D391-G394 VanDerWaalsContact OD2-N 3.16Å; D391-A395 WeakPolarHBondContact OD2-CA 3.45Å; D391-A395 WeakPolarHBondContact OD2-CB 3.37Å; D391-A395 PolarHBondContact OD2-N 2.92Å; D391-T397 VanDerWaalsContact CB-O 3.26Å; D391-T397 WeakPolarHBondContact CB-O 3.35Å; D391-T397 PolarHBondContact N-O 2.62Å
392E65.1Low80.3Confident187 Ų18749 Ų4987%0.87427%0.274SS*.SBendtrans-79.5-15.6177.1-61.9-175.9166.900112.2R390R390-E392 PolarHBondContact O-N 3.27Å
393R63.1Low80.7Confident94 Ų9447.1 Ų47.136%0.35526%0.259SS..SBendtrans-103.18.3-167.7-57.5-176.1-174.3-146.911114.2L208 T234 W268 D391L208-R393 HydrophobicContact CD2-CB 4.32Å; T234-R393 VanDerWaalsContact CB-NH1 3.29Å; T234-R393 WeakPolarHBondContact OG1-CD 3.5Å; T234-R393 PolarHBondContact OG1-NE 3.4Å; T234-R393 VanDerWaalsContact OG1-NE 3.1Å; T234-R393 PolarHBondContact OG1-NH1 3.44Å; T234-R393 PolarHBondContact OG1-NH2 3.33Å; W268-R393 PolarHBondContact O-NH1 2.87Å; W268-R393 VanDerWaalsContact O-NH1 3.09Å; D391-R393 VanDerWaalsContact C-N 3.31Å; D391-R393 PolarHBondContact OD1-N 2.9Å
394G57.3Low80.9Confident64 Ų6441.8 Ų41.866%0.6624%0.235SC*.SBendtrans9414.3161.400000116.9D391 G396D391-G394 PolarHBondContact OD2-N 2.79Å; D391-G394 VanDerWaalsContact OD2-N 3.16Å; G394-G396 PolarHBondContact O-N 2.98Å
395A60.3Low81.2Confident14 Ų1441.1 Ų41.112%0.11623%0.232CC..  trans-69.9-13.8166.500000112.6L208 D391 T397L208-A395 HydrophobicContact CD1-CB 3.58Å; L208-A395 HydrophobicContact CD2-CB 4.16Å; D391-A395 WeakPolarHBondContact OD2-CA 3.45Å; D391-A395 WeakPolarHBondContact OD2-CB 3.37Å; D391-A395 PolarHBondContact OD2-N 2.92Å; A395-T397 PolarHBondContact O-N 2.65Å
396G66.3Low81.2Confident54 Ų5440.9 Ų40.956%0.55723%0.231SC*.  trans69.310.7176.500000114.1G394G394-G396 PolarHBondContact O-N 2.98Å
397T75.5Confident81.3Confident9 Ų941 Ų416%0.05523%0.23CC..SBendtrans-118.1172.5-178.154.10000112.4T142 D391 A395T142-T397 HydrophobicContact CG2-CG2 3.25Å; D391-T397 VanDerWaalsContact CB-O 3.26Å; D391-T397 WeakPolarHBondContact CB-O 3.35Å; D391-T397 PolarHBondContact N-O 2.62Å; A395-T397 PolarHBondContact O-N 2.65Å
398A85.1Confident81.4Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-72.7133174.500000110.4L388 I442 Y447L388-A398 HydrophobicContact CD2-CB 4.08Å; A398-I442 HydrophobicContact CB-CD1 4.37Å; A398-I442 HydrophobicContact CB-CG1 4.36Å; A398-I442 HydrophobicContact CB-CG2 3.82Å; A398-Y447 HydrophobicContact CB-CD1 3.96Å; A398-Y447 HydrophobicContact CB-CD2 3.99Å; A398-Y447 HydrophobicContact CB-CE1 3.7Å; A398-Y447 HydrophobicContact CB-CE2 3.75Å; A398-Y447 HydrophobicContact CB-CG 4.1Å
399N88.4Confident81.5Confident7 Ų737.4 Ų37.44%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-91.6122.9169.8-173.822.1000108.7A137 I138 T139 E210 S389A137-N399 WeakPolarHBondContact CB-OD1 3.33Å; I138-N399 PolarHBondContact O-OD1 3.46Å; T139-N399 HydrophobicContact CG2-CB 4.25Å; E210-N399 PolarHBondContact OE1-ND2 2.94Å; S389-N399 PolarHBondContact N-O 2.6Å; S389-N399 PolarHBondContact O-N 3.08Å; S389-N399 PolarHBondContact OG-O 3.39Å
400I91.6Very high81.5Confident1 Ų135.9 Ų35.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-99.1106.7-173.3-51.8168000107.4A137 I138 I247 A386 S387 L388 I442 L455 F457A137-I400 CarbonylContact C-O 3.56Å; A137-I400 WeakPolarHBondContact CA-O 3.26Å; A137-I400 WeakPolarHBondContact CB-O 3.36Å; I138-I400 PolarHBondContact N-O 2.94Å; I138-I400 WeakPolarHBondContact O-CB 3.49Å; I138-I400 PolarHBondContact O-N 3.16Å; I247-I400 HydrophobicContact CD1-CG2 4.32Å; A386-I400 HydrophobicContact CB-CG2 4.23Å; S387-I400 WeakPolarHBondContact O-CA 3.23Å; L388-I400 HydrophobicContact CD2-CB 4.34Å; L388-I400 HydrophobicContact CD2-CG1 3.73Å; L388-I400 HydrophobicContact CD2-CG2 4.48Å; I400-I442 HydrophobicContact CD1-CD1 4.04Å; I400-I442 HydrophobicContact CG1-CD1 4.35Å; I400-L455 HydrophobicContact CD1-CD1 3.44Å; I400-L455 VanDerWaalsContact CD1-CD1 3.44Å; I400-F457 HydrophobicContact CD1-CE2 4.27Å; I400-F457 HydrophobicContact CD1-CZ 3.82Å; I400-F457 HydrophobicContact CG2-CE2 3.93Å; I400-F457 HydrophobicContact CG2-CZ 4.04Å
401H91.8Very high82Confident50 Ų5027.5 Ų27.523%0.23117%0.168CC..EExtended strand (participates in β ladder)trans-82.8141.1177.8-70.2-75.2000110.8A386 S387 S389A386-H401 VanDerWaalsContact CA-O 3.24Å; A386-H401 WeakPolarHBondContact CA-O 3.3Å; S387-H401 PolarHBondContact N-O 2.8Å; S387-H401 VanDerWaalsContact N-O 3.09Å; S387-H401 PolarHBondContact O-N 3.3Å; S389-H401 PolarHBondContact OG-CD2 2.79Å; S389-H401 PolarHBondContact OG-NE2 3.34Å
402A90.1Very high83Confident16 Ų1626.2 Ų26.213%0.13216%0.161CC..PPolyproline II helixtrans-66.5130.9170.400000109.9I136 I247 L406 L407I136-A402 WeakPolarHBondContact O-CB 3.45Å; I136-A402 PolarHBondContact O-N 3.22Å; I247-A402 HydrophobicContact CG2-CB 3.31Å; A402-L406 HydrophobicContact CB-CB 4.23Å; A402-L407 HydrophobicContact CB-CD2 3.47Å; A402-L407 VanDerWaalsContact CB-CD2 3.47Å; A402-L407 HydrophobicContact CB-CG 3.64Å
403G91.4Very high84.4Confident0 Ų017.3 Ų17.30%012%0.119CC..PPolyproline II helixtrans-78.5171.6161.200000111.7E383 M384 F385 A405 L406 L407E383-G403 WeakPolarHBondContact O-CA 3.49Å; M384-G403 CarbonylContact O-C 3.57Å; M384-G403 WeakPolarHBondContact O-CA 3.26Å; F385-G403 WeakPolarHBondContact O-CA 3.34Å; F385-G403 PolarHBondContact O-N 3Å; G403-A405 PolarHBondContact O-N 3.34Å; G403-A405 VanDerWaalsContact O-N 3.17Å; G403-L406 PolarHBondContact O-N 2.91Å; G403-L406 VanDerWaalsContact O-N 3.1Å; G403-L407 WeakPolarHBondContact O-CG 3.28Å; G403-L407 PolarHBondContact O-N 3.38Å
404S92.3Very high85.9Confident9 Ų912.9 Ų12.96%0.06310%0.102CC..Hα-helixtrans-51.7-39176.1-56.70000113.1H378 E383 M384 A408H378-S404 WeakPolarHBondContact ND1-CB 3.41Å; H378-S404 PolarHBondContact ND1-OG 2.99Å; E383-S404 PolarHBondContact O-N 2.91Å; E383-S404 PolarHBondContact O-OG 3.36Å; M384-S404 PolarHBondContact O-N 3.25Å; S404-A408 PolarHBondContact O-N 2.91Å
405A92.4Very high87.6Confident0 Ų09.9 Ų9.90%07%0.071CC..Hα-helixtrans-66.7-43.4178.500000112.9M384 F385 G403 A408 C461 F463M384-A405 PolarHBondContact O-N 2.74Å; F385-A405 HydrophobicContact CD1-CB 4.05Å; F385-A405 HydrophobicContact CE1-CB 4.13Å; G403-A405 PolarHBondContact O-N 3.34Å; G403-A405 VanDerWaalsContact O-N 3.17Å; A405-A408 PolarHBondContact O-N 3.48Å; A405-C461 PolarHBondContact O-SG 3.09Å; A405-F463 HydrophobicContact CB-CE1 3.87Å; A405-F463 HydrophobicContact CB-CZ 3.84Å
406L92.4Very high88.9Confident7 Ų79.7 Ų9.74%0.0377%0.071CC..Hα-helixtrans-69.8-37.1178.9-67.6178.2000111.3I247 G248 A386 A402 G403 A408 S409 F457 V459I247-L406 HydrophobicContact CG2-CB 4.04Å; I247-L406 HydrophobicContact CG2-CD1 4.34Å; G248-L406 VanDerWaalsContact CA-O 3.31Å; G248-L406 WeakPolarHBondContact CA-O 3.46Å; A386-L406 HydrophobicContact CB-CD1 3.79Å; A402-L406 HydrophobicContact CB-CB 4.23Å; G403-L406 PolarHBondContact O-N 2.91Å; G403-L406 VanDerWaalsContact O-N 3.1Å; L406-A408 PolarHBondContact O-N 3.48Å; L406-S409 VanDerWaalsContact O-CB 3.3Å; L406-S409 WeakPolarHBondContact O-CB 3.23Å; L406-S409 PolarHBondContact O-N 3.35Å; L406-F457 HydrophobicContact CD1-CB 4.31Å; L406-F457 HydrophobicContact CD2-CB 4.05Å; L406-V459 HydrophobicContact CD2-CG2 4.31Å
407L91.8Very high90Very high20 Ų208.1 Ų8.111%0.1055%0.05CC..Hα-helixtrans-62.1-26.8174.2-68.2176.9000113.1I136 L220 R374 V376 A402 G403 S409I136-L407 HydrophobicContact CB-CD2 4.33Å; I136-L407 HydrophobicContact CG2-CD2 3.87Å; L220-L407 HydrophobicContact CD1-CD1 4.02Å; R374-L407 WeakPolarHBondContact CD-O 3.36Å; V376-L407 HydrophobicContact CG2-CB 4.28Å; A402-L407 HydrophobicContact CB-CD2 3.47Å; A402-L407 VanDerWaalsContact CB-CD2 3.47Å; A402-L407 HydrophobicContact CB-CG 3.64Å; G403-L407 WeakPolarHBondContact O-CG 3.28Å; G403-L407 PolarHBondContact O-N 3.38Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.32Å
408A90.9Very high90.7Very high0 Ų07.7 Ų7.70%05%0.047CC..THydrogen-bonded Turntrans-84.611.2178.700000114.1V376 S404 A405 L406 G410 G411 C413 C461V376-A408 HydrophobicContact CB-CB 3.97Å; V376-A408 HydrophobicContact CG2-CB 3.85Å; S404-A408 PolarHBondContact O-N 2.91Å; A405-A408 PolarHBondContact O-N 3.48Å; L406-A408 PolarHBondContact O-N 3.48Å; A408-G410 PolarHBondContact O-N 3.45Å; A408-G411 CarbonylContact O-C 3.16Å; A408-G411 WeakPolarHBondContact O-CA 3.45Å; A408-G411 PolarHBondContact O-N 3.12Å; A408-C413 HydrophobicContact CB-CB 3.77Å; A408-C461 HydrophobicContact CB-CB 3.88Å; A408-C461 VanDerWaalsContact O-CB 3.26Å; A408-C461 WeakPolarHBondContact O-CB 3.26Å
409S89.3Confident90.6Very high14 Ų149.3 Ų9.310%0.0986%0.058CC..THydrogen-bonded Turntrans-54.8126.2-177-173.50000113.5R374 L406 L407 G411R374-S409 WeakPolarHBondContact CD-O 3.48Å; R374-S409 PolarHBondContact NE-O 2.99Å; L406-S409 VanDerWaalsContact O-CB 3.3Å; L406-S409 WeakPolarHBondContact O-CB 3.23Å; L406-S409 PolarHBondContact O-N 3.35Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.32Å; S409-G411 VanDerWaalsContact C-N 3.35Å
410G85.4Confident90.5Very high3 Ų316.8 Ų16.83%0.0319%0.091CC..THydrogen-bonded Turntrans79.511.3-172.500000114.7A408 Q460 R550A408-G410 PolarHBondContact O-N 3.45Å; G410-Q460 WeakPolarHBondContact CA-O 3.43Å; G410-Q460 PolarHBondContact N-O 3.46Å; G410-R550 PolarHBondContact O-NH2 3.23Å
411G89.6Confident90.2Very high2 Ų218.3 Ų18.32%0.02110%0.096CC..SBendtrans-146.7-141.2-174.400000113.6R374 A408 S409 C461 N462R374-G411 CarbonylContact O-C 3.56Å; R374-G411 VanDerWaalsContact O-CA 3.26Å; R374-G411 WeakPolarHBondContact O-CA 3.31Å; A408-G411 CarbonylContact O-C 3.16Å; A408-G411 WeakPolarHBondContact O-CA 3.45Å; A408-G411 PolarHBondContact O-N 3.12Å; S409-G411 VanDerWaalsContact C-N 3.35Å; G411-C461 WeakPolarHBondContact O-CA 3.3Å; G411-N462 PolarHBondContact O-N 2.96Å
412I92.9Very high90.1Very high0 Ų025.8 Ų25.80%012%0.123CC..EExtended strand (participates in β ladder)trans-126.8129.9-170.8-51.9-173.9000111.1L337 T340 L369 A372 R374 G375 V376 N462 W464L337-I412 HydrophobicContact CD2-CD1 3.73Å; L337-I412 HydrophobicContact CG-CD1 4.31Å; T340-I412 HydrophobicContact CG2-CD1 3.94Å; T340-I412 HydrophobicContact CG2-CG1 3.65Å; L369-I412 HydrophobicContact CD1-CB 3.86Å; L369-I412 HydrophobicContact CD1-CG2 3.83Å; A372-I412 HydrophobicContact CB-CD1 4.27Å; A372-I412 HydrophobicContact CB-CG1 4.43Å; R374-I412 PolarHBondContact O-N 2.85Å; G375-I412 WeakPolarHBondContact CA-O 3.45Å; V376-I412 PolarHBondContact N-O 3.44Å; I412-N462 CarbonylContact C-O 3.56Å; I412-N462 WeakPolarHBondContact CA-O 3.38Å; I412-N462 HydrophobicContact CG1-CB 4.43Å; I412-W464 HydrophobicContact CD1-CH2 3.76Å; I412-W464 HydrophobicContact CD1-CZ2 3.32Å; I412-W464 HydrophobicContact CG2-CB 4.35Å; I412-W464 HydrophobicContact CG2-CD2 3.5Å; I412-W464 HydrophobicContact CG2-CE3 3.9Å; I412-W464 HydrophobicContact CG2-CG 3.71Å; I412-W464 HydrophobicContact CG2-CH2 4.48Å; I412-W464 HydrophobicContact CG2-CZ2 4.17Å; I412-W464 HydrophobicContact CG2-CZ3 4.36Å
413C94.4Very high90Very high0 Ų031.8 Ų31.80%015%0.146CC..EExtended strand (participates in β ladder)trans-107.9112.8172.1-172.80000110V376 A408 N462 F463 W464V376-C413 CarbonylContact O-C 3.56Å; V376-C413 WeakPolarHBondContact O-CA 3.34Å; A408-C413 HydrophobicContact CB-CB 3.77Å; C413-N462 PolarHBondContact N-O 2.9Å; C413-F463 HydrophobicContact CB-CD1 3.94Å; C413-F463 HydrophobicContact CB-CE1 4.01Å; C413-F463 WeakPolarHBondContact O-CA 3.44Å; C413-W464 PolarHBondContact O-N 3.44Å
414M94.6Very high89.9Confident0 Ų037.7 Ų37.70%018%0.177CC..EExtended strand (participates in β ladder)trans-91114.2176.4-175.9-178.9-177.700110.2D362 M365 L369 V376 R377 H378 W464 L466D362-M414 WeakPolarHBondContact OD1-CE 3.4Å; M365-M414 HydrophobicContact CB-CE 3.57Å; M365-M414 HydrophobicContact CB-SD 4.17Å; M365-M414 HydrophobicContact CE-CE 4.5Å; L369-M414 HydrophobicContact CD1-CB 4.48Å; L369-M414 HydrophobicContact CD2-CB 3.95Å; L369-M414 HydrophobicContact CD2-SD 4.37Å; V376-M414 PolarHBondContact O-N 2.84Å; R377-M414 HydrophobicContact CG-SD 4.4Å; R377-M414 PolarHBondContact NH1-SD 2.84Å; H378-M414 WeakPolarHBondContact CB-O 3.37Å; H378-M414 PolarHBondContact N-O 2.98Å; M414-W464 CarbonylContact C-O 3.6Å; M414-W464 WeakPolarHBondContact CA-O 3.32Å; M414-W464 HydrophobicContact CB-CB 4.37Å; M414-W464 HydrophobicContact CG-CB 4.36Å; M414-L466 HydrophobicContact CE-CD1 3.92Å
415L92.1Very high89.7Confident2 Ų242.3 Ų42.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-81.8-18.5-178.7-57.9-177.3000113.3M384 L418 Y421 I429 F463 W464 A465M384-L415 HydrophobicContact CE-CD2 3.84Å; M384-L415 HydrophobicContact CG-CD2 4.15Å; M384-L415 HydrophobicContact SD-CD2 3.71Å; L415-L418 HydrophobicContact CB-CD2 4.32Å; L415-L418 HydrophobicContact CD1-CD2 4.29Å; L415-Y421 PolarHBondContact O-OH 3Å; L415-I429 HydrophobicContact CD1-CD1 4.47Å; L415-I429 HydrophobicContact CD1-CG2 4.1Å; L415-F463 HydrophobicContact CD1-CD1 3.93Å; L415-F463 HydrophobicContact CD2-CD1 3.84Å; L415-F463 HydrophobicContact CD2-CE1 4.1Å; L415-F463 HydrophobicContact CG-CD1 3.93Å; L415-W464 PolarHBondContact N-O 3.41Å; L415-A465 HydrophobicContact CB-CB 4.48Å
416G89.1Confident89.6Confident10 Ų1043.1 Ų43.110%0.10320%0.2CC..EExtended strand (participates in β ladder)trans76.6-151.7-173.100000112.2L418 L466G416-L418 PolarHBondContact O-N 2.96Å; G416-L466 PolarHBondContact O-N 3.44Å
417D89.3Confident89.5Confident21 Ų2146 Ų4611%0.11222%0.216CC..EExtended strand (participates in β ladder)trans-78.6120.1-178.7-177.1-7000111.6S419 F420 L466D417-S419 PolarHBondContact O-N 2.86Å; D417-S419 VanDerWaalsContact OD1-CB 3.28Å; D417-S419 WeakPolarHBondContact OD1-CB 3Å; D417-S419 PolarHBondContact OD1-N 3.27Å; D417-S419 PolarHBondContact OD1-OG 3.11Å; D417-S419 PolarHBondContact OD2-OG 3.43Å; D417-F420 HydrophobicContact CB-CD2 3.7Å; D417-F420 HydrophobicContact CB-CE2 3.7Å; D417-F420 PolarHBondContact O-N 3.03Å; D417-L466 CarbonylContact C-O 3.56Å; D417-L466 WeakPolarHBondContact CA-O 3.47Å; D417-L466 HydrophobicContact CB-CB 4.42Å
418L89.3Confident89.5Confident0 Ų049 Ų490%023%0.227CC..G310 helixtrans-69.5-21.6-177.2-64.1-177.4000113.3L352 L415 G416 F420 Y421 L426 A465 L466 V489 L493 F497L352-L418 HydrophobicContact CD1-CD1 3.73Å; L415-L418 HydrophobicContact CB-CD2 4.32Å; L415-L418 HydrophobicContact CD1-CD2 4.29Å; G416-L418 PolarHBondContact O-N 2.96Å; L418-F420 PolarHBondContact O-N 2.78Å; L418-F420 VanDerWaalsContact O-N 3.14Å; L418-Y421 HydrophobicContact CD2-CD2 4.01Å; L418-Y421 HydrophobicContact CD2-CE2 4.01Å; L418-Y421 PolarHBondContact O-N 2.87Å; L418-Y421 VanDerWaalsContact O-N 3.1Å; L418-L426 HydrophobicContact CB-CD2 4.21Å; L418-L426 HydrophobicContact CD2-CD2 4.44Å; L418-A465 HydrophobicContact CD1-CB 3.84Å; L418-A465 HydrophobicContact CD2-CB 3.99Å; L418-A465 HydrophobicContact CG-CB 3.84Å; L418-L466 PolarHBondContact N-O 3.11Å; L418-V489 HydrophobicContact CB-CG2 4.32Å; L418-L493 HydrophobicContact CD1-CD2 4.08Å; L418-F497 HydrophobicContact CD1-CE2 4.16Å; L418-F497 HydrophobicContact CD1-CZ 4.12Å
419S84.6Confident89.5Confident33 Ų3349.2 Ų49.223%0.23123%0.227CC..G310 helixtrans-63-19.6-179.768.50000113.1D417D417-S419 PolarHBondContact O-N 2.86Å; D417-S419 VanDerWaalsContact OD1-CB 3.28Å; D417-S419 WeakPolarHBondContact OD1-CB 3Å; D417-S419 PolarHBondContact OD1-N 3.27Å; D417-S419 PolarHBondContact OD1-OG 3.11Å; D417-S419 PolarHBondContact OD2-OG 3.43Å
420F84.9Confident89.6Confident165 Ų16549.9 Ų49.972%0.72423%0.229SC*.G310 helixtrans-81.8-11.8177.1-63.8-60.2000114.4D417 L418D417-F420 HydrophobicContact CB-CD2 3.7Å; D417-F420 HydrophobicContact CB-CE2 3.7Å; D417-F420 PolarHBondContact O-N 3.03Å; L418-F420 PolarHBondContact O-N 2.78Å; L418-F420 VanDerWaalsContact O-N 3.14Å
421Y86.7Confident89.9Confident32 Ų3252.1 Ų52.113%0.12524%0.244CC..SBendtrans-89.1144.6179.4-60.7-72.4000112.2H378 M384 L415 L418 K425 L426 I429H378-Y421 PolarHBondContact CD2-OH 2.95Å; M384-Y421 HydrophobicContact CE-CD1 4.49Å; M384-Y421 HydrophobicContact CE-CE1 3.7Å; M384-Y421 HydrophobicContact CE-CE2 4.37Å; L415-Y421 PolarHBondContact O-OH 3Å; L418-Y421 HydrophobicContact CD2-CD2 4.01Å; L418-Y421 HydrophobicContact CD2-CE2 4.01Å; L418-Y421 PolarHBondContact O-N 2.87Å; L418-Y421 VanDerWaalsContact O-N 3.1Å; Y421-K425 HydrophobicContact CD1-CD 4Å; Y421-L426 HydrophobicContact CD2-CD2 4.35Å; Y421-I429 HydrophobicContact CD2-CD1 4.46Å
422R88.5Confident89.9Confident208 Ų20852 Ų5279%0.78524%0.243SC*.  trans-71.3156170.3-63.2-175.2-177.7177.40.9110.5D424 K425 L426R422-D424 VanDerWaalsContact C-N 3.33Å; R422-D424 PolarHBondContact O-N 2.99Å; R422-K425 WeakPolarHBondContact O-CB 3.47Å; R422-K425 PolarHBondContact O-N 3.34Å; R422-L426 PolarHBondContact O-N 3.44Å; R422-L426 VanDerWaalsContact O-N 3.11Å
423K88.1Confident89.8Confident141 Ų14152.2 Ų52.261%0.61324%0.244SC*.Hα-helixtrans-49.6-48179.8-171.5176.9176.9178.50113.5K425 L426 D427K423-K425 PolarHBondContact O-N 2.86Å; K423-L426 WeakPolarHBondContact O-CA 3.16Å; K423-L426 WeakPolarHBondContact O-CB 3.48Å; K423-L426 PolarHBondContact O-N 2.89Å; K423-D427 PolarHBondContact O-N 3.33Å
424D88.9Confident89.5Confident125 Ų12558 Ų5867%0.66827%0.271SS*.Hα-helixtrans-57.9-35.7179.7-49.8-28.4000113R422 Y428R422-D424 VanDerWaalsContact C-N 3.33Å; R422-D424 PolarHBondContact O-N 2.99Å; D424-Y428 WeakPolarHBondContact O-CB 3.46Å; D424-Y428 PolarHBondContact O-N 3.14Å; D424-Y428 VanDerWaalsContact O-N 3.11Å
425K88.6Confident89.2Confident106 Ų10661 Ų6146%0.46129%0.293SS..Hα-helixtrans-73.1-37.8175.8-73.6-166.8173.6-167.80111.5Y421 R422 K423 Y428 I429Y421-K425 HydrophobicContact CD1-CD 4Å; R422-K425 WeakPolarHBondContact O-CB 3.47Å; R422-K425 PolarHBondContact O-N 3.34Å; K423-K425 PolarHBondContact O-N 2.86Å; K425-Y428 PolarHBondContact O-N 3Å; K425-I429 VanDerWaalsContact O-CG1 3.26Å; K425-I429 WeakPolarHBondContact O-CG1 3.3Å; K425-I429 PolarHBondContact O-N 3.25Å
426L89.9Confident89Confident16 Ų1664.4 Ų64.48%0.08431%0.305CS..Hα-helixtrans-64.9-43175.5-65.4176.1000111.4L418 Y421 R422 K423 Y428 I429 Q430 L493L418-L426 HydrophobicContact CB-CD2 4.21Å; L418-L426 HydrophobicContact CD2-CD2 4.44Å; Y421-L426 HydrophobicContact CD2-CD2 4.35Å; R422-L426 PolarHBondContact O-N 3.44Å; R422-L426 VanDerWaalsContact O-N 3.11Å; K423-L426 WeakPolarHBondContact O-CA 3.16Å; K423-L426 WeakPolarHBondContact O-CB 3.48Å; K423-L426 PolarHBondContact O-N 2.89Å; L426-Y428 VanDerWaalsContact C-N 3.27Å; L426-Y428 PolarHBondContact O-N 3.47Å; L426-I429 HydrophobicContact CD2-CD1 4.45Å; L426-I429 PolarHBondContact O-N 3.06Å; L426-Q430 WeakPolarHBondContact O-CB 3.49Å; L426-Q430 PolarHBondContact O-N 3.04Å; L426-L493 HydrophobicContact CB-CD2 4.17Å; L426-L493 HydrophobicContact CD2-CD2 3.83Å; L426-L493 HydrophobicContact CG-CD2 4.46Å
427D90.9Very high89.1Confident68 Ų6865.5 Ų65.536%0.36431%0.312SS..Hα-helixtrans-62.2-38.1175.2-64.8-13.4000110.5K423 Q430 S431K423-D427 PolarHBondContact O-N 3.33Å; D427-Q430 WeakPolarHBondContact O-CB 3.42Å; D427-Q430 PolarHBondContact O-N 3.1Å; D427-S431 PolarHBondContact O-N 2.79Å
428Y90.8Very high89.2Confident84 Ų8464.5 Ų64.533%0.32931%0.306SS..Hα-helixtrans-67.4-44.3174.5-171.4-140.3000112.6F385 D424 K425 L426 Q430 S431 V432F385-Y428 HydrophobicContact CB-CE1 3.9Å; F385-Y428 AromaticContact CD2-CD1 3.36Å; F385-Y428 HydrophobicContact CD2-CD1 3.36Å; F385-Y428 AromaticContact CD2-CE1 3.05Å; F385-Y428 HydrophobicContact CD2-CE1 3.05Å; F385-Y428 HydrophobicContact CD2-CG 4.44Å; F385-Y428 AromaticContact CD2-CZ 3.92Å; F385-Y428 AromaticContact CE2-CD1 3.49Å; F385-Y428 HydrophobicContact CE2-CD1 3.49Å; F385-Y428 VanDerWaalsContact CE2-CD1 3.49Å; F385-Y428 AromaticContact CE2-CE1 3.67Å; F385-Y428 HydrophobicContact CE2-CE1 3.67Å; F385-Y428 HydrophobicContact CE2-CG 4.25Å; F385-Y428 HydrophobicContact CG-CD1 4.37Å; F385-Y428 AromaticContact CG-CE1 3.68Å; F385-Y428 HydrophobicContact CG-CE1 3.68Å; D424-Y428 WeakPolarHBondContact O-CB 3.46Å; D424-Y428 PolarHBondContact O-N 3.14Å; D424-Y428 VanDerWaalsContact O-N 3.11Å; K425-Y428 PolarHBondContact O-N 3Å; L426-Y428 VanDerWaalsContact C-N 3.27Å; L426-Y428 PolarHBondContact O-N 3.47Å; Y428-Q430 VanDerWaalsContact C-N 3.29Å; Y428-Q430 PolarHBondContact O-N 2.8Å; Y428-S431 PolarHBondContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 3.17Å; Y428-V432 HydrophobicContact CD2-CG2 4.33Å; Y428-V432 HydrophobicContact CE2-CG2 4.05Å; Y428-V432 WeakPolarHBondContact O-CG2 3.47Å; Y428-V432 PolarHBondContact O-N 2.96Å; Y428-V432 VanDerWaalsContact O-N 3.08Å
429I91.8Very high89.2Confident3 Ų366.4 Ų66.42%0.01532%0.319CS..Hα-helixtrans-57.5-44.7173.1-68.8162.8000110.4M384 F385 L415 Y421 K425 L426 S431 V432 L433 L493M384-I429 HydrophobicContact CE-CD1 3.89Å; M384-I429 HydrophobicContact CE-CG1 4.39Å; M384-I429 HydrophobicContact SD-CD1 3.78Å; M384-I429 HydrophobicContact SD-CG1 3.6Å; F385-I429 HydrophobicContact CE2-CG1 4.07Å; F385-I429 HydrophobicContact CZ-CG1 4.04Å; L415-I429 HydrophobicContact CD1-CD1 4.47Å; L415-I429 HydrophobicContact CD1-CG2 4.1Å; Y421-I429 HydrophobicContact CD2-CD1 4.46Å; K425-I429 VanDerWaalsContact O-CG1 3.26Å; K425-I429 WeakPolarHBondContact O-CG1 3.3Å; K425-I429 PolarHBondContact O-N 3.25Å; L426-I429 HydrophobicContact CD2-CD1 4.45Å; L426-I429 PolarHBondContact O-N 3.06Å; I429-S431 VanDerWaalsContact C-N 3.34Å; I429-S431 PolarHBondContact O-N 3.21Å; I429-V432 PolarHBondContact O-N 2.89Å; I429-L433 HydrophobicContact CG2-CD1 3.81Å; I429-L433 HydrophobicContact CG2-CG 4.29Å; I429-L433 WeakPolarHBondContact O-CG 3.17Å; I429-L433 PolarHBondContact O-N 3.2Å; I429-L493 HydrophobicContact CG2-CD1 4.37Å
430Q91.1Very high89.4Confident28 Ų2865.2 Ų65.213%0.13131%0.311CS..Hα-helixtrans-56.2-49.2176.5-166-175.8-30.400111.1L426 D427 Y428 V432 L433 E434 L493 T496L426-Q430 WeakPolarHBondContact O-CB 3.49Å; L426-Q430 PolarHBondContact O-N 3.04Å; D427-Q430 WeakPolarHBondContact O-CB 3.42Å; D427-Q430 PolarHBondContact O-N 3.1Å; Y428-Q430 VanDerWaalsContact C-N 3.29Å; Y428-Q430 PolarHBondContact O-N 2.8Å; Q430-V432 VanDerWaalsContact C-N 3.29Å; Q430-V432 PolarHBondContact O-N 3.02Å; Q430-L433 PolarHBondContact O-N 2.86Å; Q430-E434 PolarHBondContact NE2-OE1 3.01Å; Q430-E434 WeakPolarHBondContact O-CG 3.42Å; Q430-E434 PolarHBondContact O-N 2.91Å; Q430-L493 HydrophobicContact CB-CD1 3.71Å; Q430-L493 HydrophobicContact CG-CD1 4.1Å; Q430-T496 HydrophobicContact CG-CG2 3.55Å
431S91.2Very high89.4Confident50 Ų5063.3 Ų63.335%0.3530%0.302SS..Hα-helixtrans-60.6-36.7-179.677.30000113.1D427 Y428 I429 S435D427-S431 PolarHBondContact O-N 2.79Å; Y428-S431 PolarHBondContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 3.17Å; I429-S431 VanDerWaalsContact C-N 3.34Å; I429-S431 PolarHBondContact O-N 3.21Å; S431-S435 VanDerWaalsContact O-CB 3.25Å; S431-S435 WeakPolarHBondContact O-CB 3.26Å; S431-S435 PolarHBondContact O-N 3.28Å; S431-S435 PolarHBondContact O-OG 2.75Å
432V91Very high89.2Confident1 Ų161.9 Ų61.91%0.00630%0.297CS..Hα-helixtrans-74.8-38.4178.8176.60000111.3F385 Y428 I429 Q430 E434 R436 V438 V459F385-V432 HydrophobicContact CD1-CG1 4.29Å; F385-V432 HydrophobicContact CD1-CG2 4.19Å; F385-V432 HydrophobicContact CE1-CB 3.9Å; F385-V432 HydrophobicContact CE1-CG1 3.64Å; F385-V432 HydrophobicContact CE1-CG2 3.8Å; F385-V432 HydrophobicContact CE2-CG2 4.4Å; F385-V432 HydrophobicContact CZ-CB 4.03Å; F385-V432 HydrophobicContact CZ-CG1 4.26Å; F385-V432 HydrophobicContact CZ-CG2 3.88Å; Y428-V432 HydrophobicContact CD2-CG2 4.33Å; Y428-V432 HydrophobicContact CE2-CG2 4.05Å; Y428-V432 WeakPolarHBondContact O-CG2 3.47Å; Y428-V432 PolarHBondContact O-N 2.96Å; Y428-V432 VanDerWaalsContact O-N 3.08Å; I429-V432 PolarHBondContact O-N 2.89Å; Q430-V432 VanDerWaalsContact C-N 3.29Å; Q430-V432 PolarHBondContact O-N 3.02Å; V432-E434 VanDerWaalsContact C-N 3.31Å; V432-E434 PolarHBondContact O-N 3.09Å; V432-R436 VanDerWaalsContact O-CA 3.3Å; V432-R436 WeakPolarHBondContact O-CA 3.44Å; V432-R436 PolarHBondContact O-N 3.37Å; V432-V438 HydrophobicContact CG1-CG2 4.01Å; V432-V438 HydrophobicContact CG2-CG2 4.06Å; V432-V459 HydrophobicContact CG1-CB 4.42Å; V432-V459 HydrophobicContact CG1-CG2 3.82Å
433L89.4Confident88.8Confident4 Ų453.9 Ų53.92%0.02127%0.272CS..Hα-helixtrans-62.5-38.6175.3-73.7170.4000112.1I429 Q430 R436 F463 L493 F497I429-L433 HydrophobicContact CG2-CD1 3.81Å; I429-L433 HydrophobicContact CG2-CG 4.29Å; I429-L433 WeakPolarHBondContact O-CG 3.17Å; I429-L433 PolarHBondContact O-N 3.2Å; Q430-L433 PolarHBondContact O-N 2.86Å; L433-R436 PolarHBondContact O-NE 3.5Å; L433-R436 PolarHBondContact O-NH2 3.19Å; L433-F463 HydrophobicContact CD2-CB 4.03Å; L433-F463 HydrophobicContact CD2-CD2 3.3Å; L433-F463 HydrophobicContact CD2-CE2 3.92Å; L433-F463 HydrophobicContact CD2-CG 3.85Å; L433-F463 HydrophobicContact CG-CD2 4.49Å; L433-L493 HydrophobicContact CD1-CD1 4.35Å; L433-F497 HydrophobicContact CD1-CD2 4.18Å; L433-F497 HydrophobicContact CD1-CE1 4.16Å; L433-F497 HydrophobicContact CD1-CE2 3.75Å; L433-F497 HydrophobicContact CD1-CZ 3.73Å
434E88.1Confident88.2Confident121 Ų12147.1 Ų47.157%0.56524%0.243SC*.Hα-helixtrans-74.9-48177.8-70.2174-170.500112.4Q430 V432 T496Q430-E434 PolarHBondContact NE2-OE1 3.01Å; Q430-E434 WeakPolarHBondContact O-CG 3.42Å; Q430-E434 PolarHBondContact O-N 2.91Å; V432-E434 VanDerWaalsContact C-N 3.31Å; V432-E434 PolarHBondContact O-N 3.09Å; E434-T496 HydrophobicContact CG-CG2 3.5Å; E434-T496 WeakPolarHBondContact OE1-CG2 3.43Å
435S88.8Confident87.4Confident64 Ų6450.4 Ų50.445%0.44825%0.251SS..Hα-helixtrans-83.7-16.9-174.266.70000114.2S431 S437S431-S435 VanDerWaalsContact O-CB 3.25Å; S431-S435 WeakPolarHBondContact O-CB 3.26Å; S431-S435 PolarHBondContact O-N 3.28Å; S431-S435 PolarHBondContact O-OG 2.75Å; S435-S437 PolarHBondContact O-N 2.96Å; S435-S437 VanDerWaalsContact O-N 3.12Å; S435-S437 PolarHBondContact OG-N 3.24Å; S435-S437 PolarHBondContact OG-O 3.24Å
436R88.7Confident86.6Confident72 Ų7252 Ų5227%0.27226%0.257SS..SBendtrans51.429.6-170.9-63.1-69.6170.2-176.9-11.1113.8S348 D350 V432 L433 V459S348-R436 VanDerWaalsContact CB-NH1 3.33Å; S348-R436 PolarHBondContact OG-NE 2.87Å; S348-R436 PolarHBondContact OG-NH1 2.92Å; S348-R436 PolarHBondContact OG-NH2 3.01Å; D350-R436 IonicContact OD1-NH1 3.87Å; D350-R436 PolarHBondContact OD1-NH1 2.81Å; D350-R436 IonicContact OD2-CZ 3.68Å; D350-R436 VanDerWaalsContact OD2-CZ 3.24Å; D350-R436 IonicContact OD2-NH1 3.99Å; D350-R436 PolarHBondContact OD2-NH1 3.5Å; D350-R436 VanDerWaalsContact OD2-NH1 3.08Å; D350-R436 IonicContact OD2-NH2 2.6Å; D350-R436 PolarHBondContact OD2-NH2 3.37Å; V432-R436 VanDerWaalsContact O-CA 3.3Å; V432-R436 WeakPolarHBondContact O-CA 3.44Å; V432-R436 PolarHBondContact O-N 3.37Å; L433-R436 PolarHBondContact O-NE 3.5Å; L433-R436 PolarHBondContact O-NH2 3.19Å; R436-V459 PolarHBondContact O-N 3.3Å
437S90.6Very high85.6Confident34 Ų3453 Ų5324%0.23826%0.261CS..EExtended strand (participates in β ladder)trans-146.7150178.867.10000112.2S435 S456 F457S435-S437 PolarHBondContact O-N 2.96Å; S435-S437 VanDerWaalsContact O-N 3.12Å; S435-S437 PolarHBondContact OG-N 3.24Å; S435-S437 PolarHBondContact OG-O 3.24Å; S437-S456 WeakPolarHBondContact CB-OG 3.37Å; S437-F457 CarbonylContact C-O 3.39Å; S437-F457 VanDerWaalsContact CA-O 3.26Å; S437-F457 WeakPolarHBondContact CA-O 3.14Å
438V91.5Very high84.3Confident0 Ų053.5 Ų53.50%028%0.282CS..EExtended strand (participates in β ladder)trans-111.4118.2173.41700000107.8F385 A386 V432 V440 S456 F457 V459F385-V438 HydrophobicContact CB-CG1 4.06Å; F385-V438 HydrophobicContact CB-CG2 4.16Å; F385-V438 HydrophobicContact CD1-CG2 3.57Å; F385-V438 HydrophobicContact CE1-CG2 4.35Å; F385-V438 HydrophobicContact CG-CG2 4.16Å; A386-V438 HydrophobicContact CB-CG1 3.99Å; V432-V438 HydrophobicContact CG1-CG2 4.01Å; V432-V438 HydrophobicContact CG2-CG2 4.06Å; V438-V440 HydrophobicContact CG1-CG2 4.24Å; V438-S456 WeakPolarHBondContact O-CA 3.5Å; V438-F457 PolarHBondContact N-O 2.9Å; V438-F457 PolarHBondContact O-N 3.43Å; V438-V459 HydrophobicContact CB-CG2 4.4Å; V438-V459 HydrophobicContact CG2-CG2 3.55Å
439S89.4Confident83.2Confident40 Ų4052.1 Ų52.128%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-92.3134.1172.555.70000111.4L455S439-L455 CarbonylContact C-O 3.57Å; S439-L455 VanDerWaalsContact CA-O 3.26Å; S439-L455 WeakPolarHBondContact CA-O 3.43Å
440V87.6Confident81.8Confident8 Ų861.6 Ų61.65%0.04832%0.323CS..EExtended strand (participates in β ladder)trans-120.5122.9178.7-176.50000108.8A386 L388 V438 I442 Q454 L455 F457A386-V440 HydrophobicContact CB-CG2 3.41Å; A386-V440 VanDerWaalsContact CB-CG2 3.41Å; L388-V440 HydrophobicContact CD1-CG1 3.83Å; L388-V440 HydrophobicContact CD2-CG1 3.54Å; L388-V440 HydrophobicContact CG-CG1 3.63Å; V438-V440 HydrophobicContact CG1-CG2 4.24Å; V440-I442 HydrophobicContact CG1-CG1 4.43Å; V440-Q454 WeakPolarHBondContact O-CA 3.3Å; V440-L455 PolarHBondContact N-O 2.84Å; V440-L455 PolarHBondContact O-N 2.85Å; V440-F457 HydrophobicContact CB-CE2 4.39Å; V440-F457 HydrophobicContact CG2-CD2 4.03Å; V440-F457 HydrophobicContact CG2-CE2 3.97Å
441F85.4Confident81.1Confident125 Ų12563.2 Ų63.255%0.54834%0.341SS..EExtended strand (participates in β ladder)trans-95.5116.7177.3-65.5-84.2000110.2L388 P443 Q453 Q454L388-F441 WeakPolarHBondContact CD1-O 3.4Å; F441-P443 WeakPolarHBondContact O-CD 2.89Å; F441-Q453 CarbonylContact C-O 3.39Å; F441-Q453 WeakPolarHBondContact CA-O 3.49Å; F441-Q454 HydrophobicContact CD1-CB 3.93Å; F441-Q454 HydrophobicContact CD1-CG 3.96Å; F441-Q454 HydrophobicContact CE1-CB 3.83Å; F441-Q454 HydrophobicContact CE1-CG 3.58Å; F441-Q454 VanDerWaalsContact CE1-OE1 3.27Å; F441-Q454 VanDerWaalsContact CZ-CD 3.45Å; F441-Q454 HydrophobicContact CZ-CG 3.92Å
442I83.6Confident80.6Confident1 Ų166.3 Ų66.31%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-100.4112.2178.5-62.5169.9000108.1R140 L388 A398 I400 V440 G444 Y447 D452 Q453 L455R140-I442 HydrophobicContact CG-CD1 4.13Å; L388-I442 HydrophobicContact CD1-CB 4.42Å; L388-I442 HydrophobicContact CD1-CG1 3.81Å; L388-I442 HydrophobicContact CD2-CD1 4.36Å; L388-I442 HydrophobicContact CD2-CG1 3.89Å; A398-I442 HydrophobicContact CB-CD1 4.37Å; A398-I442 HydrophobicContact CB-CG1 4.36Å; A398-I442 HydrophobicContact CB-CG2 3.82Å; I400-I442 HydrophobicContact CD1-CD1 4.04Å; I400-I442 HydrophobicContact CG1-CD1 4.35Å; V440-I442 HydrophobicContact CG1-CG1 4.43Å; I442-G444 PolarHBondContact O-N 3.32Å; I442-Y447 HydrophobicContact CG2-CD2 3.81Å; I442-Y447 HydrophobicContact CG2-CE2 4.28Å; I442-D452 WeakPolarHBondContact O-CA 3.43Å; I442-Q453 PolarHBondContact N-O 3.26Å; I442-Q453 PolarHBondContact O-N 3.41Å; I442-L455 HydrophobicContact CD1-CD1 3.61Å; I442-L455 HydrophobicContact CD1-CG 4.32Å
443P79.6Confident80Confident40 Ų4069.3 Ų69.326%0.2637%0.367SS..  trans-71.9115.7-179.3-16.931.1000111.1F441 K445 K446 Y447 D452F441-P443 WeakPolarHBondContact O-CD 2.89Å; P443-K445 VanDerWaalsContact C-N 3.33Å; P443-K445 PolarHBondContact O-N 2.99Å; P443-K446 HydrophobicContact CB-CB 4.37Å; P443-K446 HydrophobicContact CB-CD 4.28Å; P443-K446 HydrophobicContact CB-CG 4.26Å; P443-K446 HydrophobicContact CG-CD 4.31Å; P443-K446 PolarHBondContact O-N 3.42Å; P443-Y447 WeakPolarHBondContact O-CD2 3.46Å; P443-D452 WeakPolarHBondContact CA-OD1 3.42Å
444G75.2Confident79.8Confident0 Ų074.7 Ų74.70%039%0.392CS..G310 helixtrans-58-46.8-175.300000111.7I442 K446 Y447 G448 E449 A451 D452I442-G444 PolarHBondContact O-N 3.32Å; G444-K446 PolarHBondContact O-N 3.12Å; G444-Y447 CarbonylContact O-C 3.6Å; G444-Y447 PolarHBondContact O-N 2.87Å; G444-G448 PolarHBondContact O-N 2.81Å; G444-E449 CarbonylContact C-O 3.6Å; G444-E449 VanDerWaalsContact CA-O 3.28Å; G444-E449 WeakPolarHBondContact CA-O 3.31Å; G444-E449 PolarHBondContact O-N 2.89Å; G444-E449 VanDerWaalsContact O-O 3.07Å; G444-A451 WeakPolarHBondContact CA-O 3.45Å; G444-D452 PolarHBondContact N-OD1 3.2Å
445K72Confident79.7Confident194 Ų19471.4 Ų71.484%0.84338%0.378SS*.G310 helixtrans-56.7-28.6-178.5-67.4-176.2-179.8178.30114.2P443 E449P443-K445 VanDerWaalsContact C-N 3.33Å; P443-K445 PolarHBondContact O-N 2.99Å; K445-E449 PolarHBondContact N-O 2.89Å
446K71.9Confident79.7Confident138 Ų13872 Ų7260%0.638%0.382SS*.G310 helixtrans-82.4-20.3179.5-71.6-173.4-179.4178.40113P443 G444P443-K446 HydrophobicContact CB-CB 4.37Å; P443-K446 HydrophobicContact CB-CD 4.28Å; P443-K446 HydrophobicContact CB-CG 4.26Å; P443-K446 HydrophobicContact CG-CD 4.31Å; P443-K446 PolarHBondContact O-N 3.42Å; G444-K446 PolarHBondContact O-N 3.12Å
447Y69.1Low79.8Confident38 Ų3870 Ų7015%0.14938%0.376CS..THydrogen-bonded Turntrans-124.621.5-172.3-62.4-75.4000112.6S389 R390 A398 I442 P443 G444S389-Y447 PolarHBondContact O-OH 3.29Å; R390-Y447 HydrophobicContact CG-CE1 3.8Å; A398-Y447 HydrophobicContact CB-CD1 3.96Å; A398-Y447 HydrophobicContact CB-CD2 3.99Å; A398-Y447 HydrophobicContact CB-CE1 3.7Å; A398-Y447 HydrophobicContact CB-CE2 3.75Å; A398-Y447 HydrophobicContact CB-CG 4.1Å; I442-Y447 HydrophobicContact CG2-CD2 3.81Å; I442-Y447 HydrophobicContact CG2-CE2 4.28Å; P443-Y447 WeakPolarHBondContact O-CD2 3.46Å; G444-Y447 CarbonylContact O-C 3.6Å; G444-Y447 PolarHBondContact O-N 2.87Å
448G63.7Low79.8Confident79 Ų7972.2 Ų72.281%0.81439%0.389SS*.THydrogen-bonded Turntrans80.515171.200000115.8G444G444-G448 PolarHBondContact O-N 2.81Å
449E67.5Low79.7Confident55 Ų5572.5 Ų72.526%0.25739%0.391SS..  trans-112.6152.4177.2-64.3-173.6167.100112.1R140 G444 K445 Q453R140-E449 IonicContact CZ-OE1 3.48Å; R140-E449 VanDerWaalsContact CZ-OE1 3.28Å; R140-E449 IonicContact CZ-OE2 3.99Å; R140-E449 IonicContact NH1-OE1 2.97Å; R140-E449 PolarHBondContact NH1-OE1 3.37Å; R140-E449 VanDerWaalsContact NH1-OE1 3.11Å; R140-E449 IonicContact NH1-OE2 3.29Å; R140-E449 PolarHBondContact NH1-OE2 3.45Å; R140-E449 IonicContact NH2-OE1 3.19Å; R140-E449 PolarHBondContact NH2-OE1 3.32Å; R140-E449 IonicContact NH2-OE2 3.25Å; R140-E449 PolarHBondContact NH2-OE2 3.16Å; G444-E449 CarbonylContact C-O 3.6Å; G444-E449 VanDerWaalsContact CA-O 3.28Å; G444-E449 WeakPolarHBondContact CA-O 3.31Å; G444-E449 PolarHBondContact O-N 2.89Å; G444-E449 VanDerWaalsContact O-O 3.07Å; K445-E449 PolarHBondContact N-O 2.89Å; E449-Q453 PolarHBondContact OE2-NE2 3.45Å
450E63.4Low79.6Confident202 Ų20272.4 Ų72.494%0.94439%0.386SS*.SBendtrans-78.1-27.1-177.6-62.5-135.2151.200113.5
451A75Confident79.8Confident61 Ų6172.1 Ų72.150%0.50439%0.385SS..SBendtrans-116.1143.5-176.400000112G444G444-A451 WeakPolarHBondContact CA-O 3.45Å
452D80.2Confident80.1Confident115 Ų11566.7 Ų66.762%0.61536%0.361SS*.  trans-71.6143.5168.7-64.1-21000109.6I442 P443 G444I442-D452 WeakPolarHBondContact O-CA 3.43Å; P443-D452 WeakPolarHBondContact CA-OD1 3.42Å; G444-D452 PolarHBondContact N-OD1 3.2Å
453Q79.8Confident80.6Confident64 Ų6466.7 Ų66.730%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-123.6145.9-178.1-59.8-164.513.700111.2R140 F441 I442 E449R140-Q453 VanDerWaalsContact NH2-CD 3.34Å; F441-Q453 CarbonylContact C-O 3.39Å; F441-Q453 WeakPolarHBondContact CA-O 3.49Å; I442-Q453 PolarHBondContact N-O 3.26Å; I442-Q453 PolarHBondContact O-N 3.41Å; E449-Q453 PolarHBondContact OE2-NE2 3.45Å
454Q85.3Confident81.4Confident118 Ų11864.8 Ų64.855%0.55135%0.349SS*.EExtended strand (participates in β ladder)trans-115.8123.1176.1-174.1-179.3-7.300109.3V440 F441V440-Q454 WeakPolarHBondContact O-CA 3.3Å; F441-Q454 HydrophobicContact CD1-CB 3.93Å; F441-Q454 HydrophobicContact CD1-CG 3.96Å; F441-Q454 HydrophobicContact CE1-CB 3.83Å; F441-Q454 HydrophobicContact CE1-CG 3.58Å; F441-Q454 VanDerWaalsContact CE1-OE1 3.27Å; F441-Q454 VanDerWaalsContact CZ-CD 3.45Å; F441-Q454 HydrophobicContact CZ-CG 3.92Å
455L86.3Confident82.3Confident51 Ų5164.8 Ų64.827%0.26735%0.349SS..EExtended strand (participates in β ladder)trans-108.2141.3172.1-64.4175000109.2R140 I400 S439 V440 I442 F457R140-L455 HydrophobicContact CG-CD1 3.97Å; I400-L455 HydrophobicContact CD1-CD1 3.44Å; I400-L455 VanDerWaalsContact CD1-CD1 3.44Å; S439-L455 CarbonylContact C-O 3.57Å; S439-L455 VanDerWaalsContact CA-O 3.26Å; S439-L455 WeakPolarHBondContact CA-O 3.43Å; V440-L455 PolarHBondContact N-O 2.84Å; V440-L455 PolarHBondContact O-N 2.85Å; I442-L455 HydrophobicContact CD1-CD1 3.61Å; I442-L455 HydrophobicContact CD1-CG 4.32Å; L455-F457 HydrophobicContact CB-CE2 3.94Å; L455-F457 HydrophobicContact CB-CZ 4.23Å; L455-F457 HydrophobicContact CD1-CZ 4.42Å
456S88.8Confident83.2Confident76 Ų7655.6 Ų55.653%0.53131%0.309SS..EExtended strand (participates in β ladder)trans-116.5129.8176.9-1720000110.2S437 V438S437-S456 WeakPolarHBondContact CB-OG 3.37Å; V438-S456 WeakPolarHBondContact O-CA 3.5Å
457F89.8Confident84.1Confident30 Ų3049.4 Ų49.413%0.13228%0.283CS..EExtended strand (participates in β ladder)trans-114.4124.6178.2-63.6-80.1000109.7I138 I247 I400 L406 S437 V438 V440 L455I138-F457 HydrophobicContact CD1-CE1 4.03Å; I247-F457 HydrophobicContact CD1-CD1 4.04Å; I247-F457 HydrophobicContact CD1-CE1 3.74Å; I247-F457 HydrophobicContact CD1-CZ 4.14Å; I400-F457 HydrophobicContact CD1-CE2 4.27Å; I400-F457 HydrophobicContact CD1-CZ 3.82Å; I400-F457 HydrophobicContact CG2-CE2 3.93Å; I400-F457 HydrophobicContact CG2-CZ 4.04Å; L406-F457 HydrophobicContact CD1-CB 4.31Å; L406-F457 HydrophobicContact CD2-CB 4.05Å; S437-F457 CarbonylContact C-O 3.39Å; S437-F457 VanDerWaalsContact CA-O 3.26Å; S437-F457 WeakPolarHBondContact CA-O 3.14Å; V438-F457 PolarHBondContact N-O 2.9Å; V438-F457 PolarHBondContact O-N 3.43Å; V440-F457 HydrophobicContact CB-CE2 4.39Å; V440-F457 HydrophobicContact CG2-CD2 4.03Å; V440-F457 HydrophobicContact CG2-CE2 3.97Å; L455-F457 HydrophobicContact CB-CE2 3.94Å; L455-F457 HydrophobicContact CB-CZ 4.23Å; L455-F457 HydrophobicContact CD1-CZ 4.42Å
458P90.1Very high84.7Confident81 Ų8148.5 Ų48.553%0.52628%0.28SS..EExtended strand (participates in β ladder)trans-68.2136.4176.628.6-33.6000110.5
459V89.8Confident85.3Confident7 Ų745.6 Ų45.64%0.04225%0.248CC..  trans-97107.5175.7178.80000108.8L406 V432 R436 V438 F463L406-V459 HydrophobicContact CD2-CG2 4.31Å; V432-V459 HydrophobicContact CG1-CB 4.42Å; V432-V459 HydrophobicContact CG1-CG2 3.82Å; R436-V459 PolarHBondContact O-N 3.3Å; V438-V459 HydrophobicContact CB-CG2 4.4Å; V438-V459 HydrophobicContact CG2-CG2 3.55Å; V459-F463 HydrophobicContact CG1-CE2 3.77Å; V459-F463 HydrophobicContact CG1-CZ 3.77Å
460Q87.9Confident85Confident38 Ų3846.7 Ų46.718%0.17826%0.261CS..  trans-107.544.5-176.7-58.3-175.6-43.400111.5G410G410-Q460 WeakPolarHBondContact CA-O 3.43Å; G410-Q460 PolarHBondContact N-O 3.46Å
461C90.8Very high84.5Confident2 Ų242.5 Ų42.51%0.01424%0.242CC..  trans-130.5153.6177.268.90000111.6A405 A408 G411A405-C461 PolarHBondContact O-SG 3.09Å; A408-C461 HydrophobicContact CB-CB 3.88Å; A408-C461 VanDerWaalsContact O-CB 3.26Å; A408-C461 WeakPolarHBondContact O-CB 3.26Å; G411-C461 WeakPolarHBondContact O-CA 3.3Å
462N92.8Very high83.3Confident10 Ų1046.9 Ų46.95%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-84.7137.1169.5-64.8-21.9000109.5Q339 S348 L349 G411 I412 C413Q339-N462 PolarHBondContact O-ND2 3.07Å; Q339-N462 VanDerWaalsContact O-ND2 3.12Å; S348-N462 VanDerWaalsContact CA-OD1 3.22Å; S348-N462 WeakPolarHBondContact CA-OD1 3.46Å; S348-N462 WeakPolarHBondContact CB-OD1 3.36Å; L349-N462 PolarHBondContact N-OD1 3.27Å; G411-N462 PolarHBondContact O-N 2.96Å; I412-N462 CarbonylContact C-O 3.56Å; I412-N462 WeakPolarHBondContact CA-O 3.38Å; I412-N462 HydrophobicContact CG1-CB 4.43Å; C413-N462 PolarHBondContact N-O 2.9Å
463F94.4Very high81Confident2 Ų247.7 Ų47.71%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-98.6133.5178.2-70.3-82.2000112.1D350 L351 F385 A405 C413 L415 L433 V459 F497D350-F463 CarbonylContact C-O 3.57Å; D350-F463 VanDerWaalsContact CA-O 3.3Å; D350-F463 WeakPolarHBondContact CA-O 3.35Å; D350-F463 HydrophobicContact CB-CB 4.35Å; D350-F463 PolarHBondContact OD1-N 3.13Å; L351-F463 PolarHBondContact N-O 2.99Å; F385-F463 HydrophobicContact CE1-CZ 4.47Å; A405-F463 HydrophobicContact CB-CE1 3.87Å; A405-F463 HydrophobicContact CB-CZ 3.84Å; C413-F463 HydrophobicContact CB-CD1 3.94Å; C413-F463 HydrophobicContact CB-CE1 4.01Å; C413-F463 WeakPolarHBondContact O-CA 3.44Å; L415-F463 HydrophobicContact CD1-CD1 3.93Å; L415-F463 HydrophobicContact CD2-CD1 3.84Å; L415-F463 HydrophobicContact CD2-CE1 4.1Å; L415-F463 HydrophobicContact CG-CD1 3.93Å; L433-F463 HydrophobicContact CD2-CB 4.03Å; L433-F463 HydrophobicContact CD2-CD2 3.3Å; L433-F463 HydrophobicContact CD2-CE2 3.92Å; L433-F463 HydrophobicContact CD2-CG 3.85Å; L433-F463 HydrophobicContact CG-CD2 4.49Å; V459-F463 HydrophobicContact CG1-CE2 3.77Å; V459-F463 HydrophobicContact CG1-CZ 3.77Å; F463-F497 HydrophobicContact CB-CE1 4.44Å
464W95.6Very high78.7Confident0 Ų047.6 Ų47.60%028%0.276CS..EExtended strand (participates in β ladder)trans-116.1126.3173-78.25.7000110.1L333 S336 L337 L351 M365 L369 I412 C413 M414 L415L333-W464 HydrophobicContact CD2-CD2 4Å; L333-W464 HydrophobicContact CD2-CE3 4.03Å; L333-W464 HydrophobicContact CD2-CH2 3.76Å; L333-W464 HydrophobicContact CD2-CZ2 3.68Å; L333-W464 HydrophobicContact CD2-CZ3 3.93Å; S336-W464 PolarHBondContact OG-NE1 3.34Å; L337-W464 HydrophobicContact CD1-CH2 4.49Å; L337-W464 HydrophobicContact CD2-CH2 3.98Å; L337-W464 HydrophobicContact CD2-CZ2 4.42Å; L337-W464 HydrophobicContact CG-CH2 3.99Å; L337-W464 HydrophobicContact CG-CZ2 4.2Å; L351-W464 WeakPolarHBondContact O-CA 3.25Å; M365-W464 HydrophobicContact CB-CE3 4.5Å; M365-W464 HydrophobicContact CE-CB 3.58Å; M365-W464 HydrophobicContact CE-CD2 4.24Å; M365-W464 HydrophobicContact CE-CE3 4.23Å; M365-W464 HydrophobicContact CE-CG 4.01Å; M365-W464 WeakPolarHBondContact O-CZ3 3.4Å; L369-W464 HydrophobicContact CB-CZ3 4.09Å; L369-W464 HydrophobicContact CD1-CE3 4.46Å; L369-W464 HydrophobicContact CD1-CZ3 4.34Å; I412-W464 HydrophobicContact CD1-CH2 3.76Å; I412-W464 HydrophobicContact CD1-CZ2 3.32Å; I412-W464 HydrophobicContact CG2-CB 4.35Å; I412-W464 HydrophobicContact CG2-CD2 3.5Å; I412-W464 HydrophobicContact CG2-CE3 3.9Å; I412-W464 HydrophobicContact CG2-CG 3.71Å; I412-W464 HydrophobicContact CG2-CH2 4.48Å; I412-W464 HydrophobicContact CG2-CZ2 4.17Å; I412-W464 HydrophobicContact CG2-CZ3 4.36Å; C413-W464 PolarHBondContact O-N 3.44Å; M414-W464 CarbonylContact C-O 3.6Å; M414-W464 WeakPolarHBondContact CA-O 3.32Å; M414-W464 HydrophobicContact CB-CB 4.37Å; M414-W464 HydrophobicContact CG-CB 4.36Å; L415-W464 PolarHBondContact N-O 3.41Å
465A94.2Very high76.2Confident0 Ų053.8 Ų53.80%029%0.294CS..EExtended strand (participates in β ladder)trans-138.2152.5-176.600000112L351 L352 V353 L415 L418 F497L351-A465 PolarHBondContact O-N 2.98Å; L352-A465 HydrophobicContact CD1-CB 3.86Å; V353-A465 PolarHBondContact N-O 3.32Å; L415-A465 HydrophobicContact CB-CB 4.48Å; L418-A465 HydrophobicContact CD1-CB 3.84Å; L418-A465 HydrophobicContact CD2-CB 3.99Å; L418-A465 HydrophobicContact CG-CB 3.84Å; A465-F497 HydrophobicContact CB-CE1 3.83Å; A465-F497 HydrophobicContact CB-CZ 3.79Å
466L91.6Very high73.5Confident1 Ų155.8 Ų55.81%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-117.9154.1175.4-76.1145000109.5V353 T355 L361 D362 M365 M414 G416 D417 L418V353-L466 HydrophobicContact CB-CD2 3.81Å; V353-L466 HydrophobicContact CB-CG 4.42Å; V353-L466 HydrophobicContact CG1-CD2 3.9Å; V353-L466 CarbonylContact O-C 3.52Å; V353-L466 WeakPolarHBondContact O-CA 3.36Å; T355-L466 HydrophobicContact CG2-CD2 4.19Å; L361-L466 HydrophobicContact CB-CD2 3.89Å; D362-L466 HydrophobicContact CB-CD1 3.89Å; M365-L466 HydrophobicContact CE-CG 4.47Å; M365-L466 HydrophobicContact SD-CD1 3.72Å; M365-L466 HydrophobicContact SD-CD2 3.74Å; M365-L466 HydrophobicContact SD-CG 3.6Å; M414-L466 HydrophobicContact CE-CD1 3.92Å; G416-L466 PolarHBondContact O-N 3.44Å; D417-L466 CarbonylContact C-O 3.56Å; D417-L466 WeakPolarHBondContact CA-O 3.47Å; D417-L466 HydrophobicContact CB-CB 4.42Å; L418-L466 PolarHBondContact N-O 3.11Å
467T89.6Confident70.8Confident7 Ų759.9 Ų59.94%0.04333%0.334CS..EExtended strand (participates in β ladder)trans-147.3138.4169-177.60000110.6L352 V353 V354 T355 V489L352-T467 HydrophobicContact CD1-CG2 4.09Å; L352-T467 HydrophobicContact CG-CG2 4.46Å; V353-T467 PolarHBondContact O-N 2.89Å; V354-T467 HydrophobicContact CB-CG2 4.1Å; V354-T467 HydrophobicContact CG1-CG2 4.23Å; V354-T467 HydrophobicContact CG2-CG2 3.65Å; T355-T467 PolarHBondContact N-O 3.3Å; T467-V489 HydrophobicContact CG2-CG2 4.38Å; T467-V489 WeakPolarHBondContact OG1-CG2 3.41Å
468D83.2Confident67.7Low19 Ų1962.4 Ų62.410%0.10236%0.356CS..EExtended strand (participates in β ladder)trans-78.2121.8177.9-174.810.1000111.5T355 T358 S470 P488T355-D468 CarbonylContact O-C 3.06Å; T355-D468 WeakPolarHBondContact O-CA 3.47Å; T358-D468 HydrophobicContact CG2-CB 4.04Å; D468-S470 VanDerWaalsContact C-N 3.32Å; D468-S470 VanDerWaalsContact CG-OG 3.22Å; D468-S470 WeakPolarHBondContact OD1-CB 3.34Å; D468-S470 PolarHBondContact OD1-N 3.42Å; D468-S470 PolarHBondContact OD1-OG 3.38Å; D468-S470 PolarHBondContact OD2-OG 3.42Å; D468-P488 WeakPolarHBondContact O-CD 3.12Å
469S74.8Confident65.2Low18 Ų1863.2 Ų63.213%0.12637%0.369CS..SBendtrans-78.5-13.2174.967.70000113.8T355 A356 R472T355-S469 PolarHBondContact O-N 3.49Å; T355-S469 PolarHBondContact O-OG 3.25Å; T355-S469 VanDerWaalsContact O-OG 3.05Å; A356-S469 WeakPolarHBondContact CA-OG 3.37Å; A356-S469 PolarHBondContact N-OG 3.14Å; S469-R472 WeakPolarHBondContact O-CD 3.44Å; S469-R472 VanDerWaalsContact O-CG 3.3Å; S469-R472 WeakPolarHBondContact O-CG 3.41Å; S469-R472 PolarHBondContact O-NE 3.05Å
470S61.6Low62.6Low78 Ų7868.4 Ų68.455%0.54540%0.4SS..SBendtrans-83.7-23.4-173.888.20000114.3D468 R472D468-S470 VanDerWaalsContact C-N 3.32Å; D468-S470 VanDerWaalsContact CG-OG 3.22Å; D468-S470 WeakPolarHBondContact OD1-CB 3.34Å; D468-S470 PolarHBondContact OD1-N 3.42Å; D468-S470 PolarHBondContact OD1-OG 3.38Å; D468-S470 PolarHBondContact OD2-OG 3.42Å; S470-R472 PolarHBondContact O-N 3.16Å
471Q52.5Low60.7Low115 Ų11573.2 Ų73.254%0.53743%0.427SS..  trans-72.227.4175.8-62.7-156.617.400114.3S473 P488Q471-S473 PolarHBondContact O-N 2.94Å; Q471-P488 HydrophobicContact CB-CG 4.35Å
472R49.4Very low57.8Low153 Ų15376.4 Ų76.458%0.57746%0.46SS*.  trans-65.395.4168.2-71.7170.8-174.1-171.91.6108.9S469 S470 G474S469-R472 WeakPolarHBondContact O-CD 3.44Å; S469-R472 VanDerWaalsContact O-CG 3.3Å; S469-R472 WeakPolarHBondContact O-CG 3.41Å; S469-R472 PolarHBondContact O-NE 3.05Å; S470-R472 PolarHBondContact O-N 3.16Å; R472-G474 PolarHBondContact O-N 3.15Å
473S32.6Very low55Low131 Ų13182.3 Ų82.392%0.91650%0.497SS*.  trans-67.297.6165.7165.80000109.3Q471Q471-S473 PolarHBondContact O-N 2.94Å
474G31.5Very low52.3Low62 Ų6285.7 Ų85.764%0.63953%0.525SS*.  trans137.8100.1164.300000113.9R472 A476R472-G474 PolarHBondContact O-N 3.15Å; G474-A476 PolarHBondContact O-N 3.1Å
475R33.7Very low49.6Very low248 Ų24893.7 Ų93.794%0.93656%0.563SS**  trans-59.7118.1158.1-80.9-178.4173.5176.9-2.8108.4
476A28.9Very low47.1Very low93 Ų9396.1 Ų96.177%0.76958%0.577SS**  trans-122.697.4153.400000107.2G474 S478G474-A476 PolarHBondContact O-N 3.1Å; A476-S478 PolarHBondContact O-N 2.67Å
477D31.9Very low45Very low162 Ų16297.8 Ų97.887%0.86660%0.595SS**  trans-57.3104159.2-79.3-39.2000107.7
478S24.4Very low43.2Very low84 Ų84100.1 Ų100.159%0.58761%0.61SS**  trans-147102.3160.8-173.50000108.5A476 V480A476-S478 PolarHBondContact O-N 2.67Å; S478-V480 PolarHBondContact O-N 3.17Å; S478-V480 PolarHBondContact OG-O 3.02Å
479A37.3Very low42.1Very low98 Ų9899.7 Ų99.781%0.8161%0.608SS**SBendtrans-55.3122.3155.900000106.8
480V35.8Very low41.9Very low115 Ų115101 Ų10170%0.69762%0.616SS**SBendtrans88.3110-172.4-1670000113.8S478S478-V480 PolarHBondContact O-N 3.17Å; S478-V480 PolarHBondContact OG-O 3.02Å
481L47.1Very low42.5Very low139 Ų13999.4 Ų99.473%0.72861%0.608SS**  trans40.3100.2157.3-77.2141.2000117.8R629L481-R629 VanDerWaalsContact CD2-NH1 3.33Å
482G30Very low43.7Very low70 Ų7099.9 Ų99.972%0.72261%0.61SS**  trans-127.9140.9163.500000110.9A484G482-A484 PolarHBondContact O-N 3.4Å
483T33.9Very low45.3Very low133 Ų13392.7 Ų92.782%0.81658%0.583SS**  trans-40.3123.4178.637.30000113.8E485T483-E485 VanDerWaalsContact C-N 3.29Å; T483-E485 PolarHBondContact O-N 3.42Å
484A38Very low47.7Very low73 Ų7386.9 Ų86.960%0.60354%0.543SS*.  trans-77.280.617200000109.4G482 T486G482-A484 PolarHBondContact O-N 3.4Å; A484-T486 PolarHBondContact O-N 3.05Å
485E38.8Very low50.1Low169 Ų16988.6 Ų88.679%0.7953%0.534SS*.  trans-70.5121159.7-73.8-169.516400108T483 G487T483-E485 VanDerWaalsContact C-N 3.29Å; T483-E485 PolarHBondContact O-N 3.42Å; E485-G487 VanDerWaalsContact C-N 3.28Å; E485-G487 PolarHBondContact O-N 3.01Å
486T43.4Very low52.6Low51 Ų5178 Ų7831%0.31350%0.497SS..  trans-7467.2-172.7380000112.4A484 L625A484-T486 PolarHBondContact O-N 3.05Å; T486-L625 WeakPolarHBondContact CG2-O 3.29Å
487G47.1Very low55.4Low36 Ų3673.6 Ų73.637%0.37146%0.461SS..THydrogen-bonded Turntrans58.8-162.4169.900000115E485 V489E485-G487 VanDerWaalsContact C-N 3.28Å; E485-G487 PolarHBondContact O-N 3.01Å; G487-V489 PolarHBondContact O-N 3.42Å
488P51.1Low58.1Low56 Ų5666.6 Ų66.636%0.36443%0.426SS..THydrogen-bonded Turntrans-75.8-6.8-177.730-34.7000114.3D468 Q471D468-P488 WeakPolarHBondContact O-CD 3.12Å; Q471-P488 HydrophobicContact CB-CG 4.35Å
489V60.9Low61.2Low10 Ų1062.9 Ų62.96%0.06140%0.4CS..SBendtrans-92.3130.4-177.6173.90000109.6L418 T467 G487 A491 L493L418-V489 HydrophobicContact CB-CG2 4.32Å; T467-V489 HydrophobicContact CG2-CG2 4.38Å; T467-V489 WeakPolarHBondContact OG1-CG2 3.41Å; G487-V489 PolarHBondContact O-N 3.42Å; V489-A491 PolarHBondContact O-N 3.2Å; V489-L493 HydrophobicContact CG1-CB 3.96Å; V489-L493 HydrophobicContact CG1-CD2 3.72Å; V489-L493 HydrophobicContact CG1-CG 4.09Å
490P69.6Low63.8Low45 Ų4558.5 Ų58.529%0.29236%0.363SS..  trans-54132.5176.5-25.133.8000111.3Q492 L493 A494P490-Q492 PolarHBondContact O-N 2.62Å; P490-Q492 VanDerWaalsContact O-N 3.09Å; P490-L493 HydrophobicContact CB-CB 4.47Å; P490-L493 WeakPolarHBondContact O-CA 3.26Å; P490-L493 WeakPolarHBondContact O-CB 3.38Å; P490-L493 PolarHBondContact O-N 3.05Å; P490-A494 PolarHBondContact O-N 3.21Å
491A73.6Confident66.4Low44 Ų4453.7 Ų53.736%0.36433%0.334SS..Hα-helixtrans-53-35178.200000112.3V489 L493 A494 E495V489-A491 PolarHBondContact O-N 3.2Å; A491-L493 VanDerWaalsContact C-N 3.34Å; A491-L493 PolarHBondContact O-N 2.92Å; A491-A494 PolarHBondContact O-N 2.85Å; A491-E495 WeakPolarHBondContact O-CG 3.18Å; A491-E495 PolarHBondContact O-N 2.98Å
492Q77.9Confident68.3Low126 Ų12651.1 Ų51.159%0.58932%0.318SS*.Hα-helixtrans-58.6-40.3173.9-65.9176.7-21.400112.9P490 E495P490-Q492 PolarHBondContact O-N 2.62Å; P490-Q492 VanDerWaalsContact O-N 3.09Å; Q492-E495 PolarHBondContact O-N 3.11Å
493L83.1Confident70.6Confident1 Ų148.1 Ų48.11%0.00529%0.286CS..Hα-helixtrans-70.4-40.3176-179.164.9000111L418 L426 I429 Q430 L433 V489 P490 A491 E495 T496 F497L418-L493 HydrophobicContact CD1-CD2 4.08Å; L426-L493 HydrophobicContact CB-CD2 4.17Å; L426-L493 HydrophobicContact CD2-CD2 3.83Å; L426-L493 HydrophobicContact CG-CD2 4.46Å; I429-L493 HydrophobicContact CG2-CD1 4.37Å; Q430-L493 HydrophobicContact CB-CD1 3.71Å; Q430-L493 HydrophobicContact CG-CD1 4.1Å; L433-L493 HydrophobicContact CD1-CD1 4.35Å; V489-L493 HydrophobicContact CG1-CB 3.96Å; V489-L493 HydrophobicContact CG1-CD2 3.72Å; V489-L493 HydrophobicContact CG1-CG 4.09Å; P490-L493 HydrophobicContact CB-CB 4.47Å; P490-L493 WeakPolarHBondContact O-CA 3.26Å; P490-L493 WeakPolarHBondContact O-CB 3.38Å; P490-L493 PolarHBondContact O-N 3.05Å; A491-L493 VanDerWaalsContact C-N 3.34Å; A491-L493 PolarHBondContact O-N 2.92Å; L493-E495 PolarHBondContact O-N 3.44Å; L493-T496 PolarHBondContact O-N 3.34Å; L493-T496 PolarHBondContact O-OG1 3.18Å; L493-F497 HydrophobicContact CD1-CE2 4.15Å; L493-F497 HydrophobicContact CG-CE2 4.1Å; L493-F497 VanDerWaalsContact O-CD2 3.28Å; L493-F497 WeakPolarHBondContact O-CD2 3.5Å
494A83.2Confident72.2Confident9 Ų943.5 Ų43.57%0.07427%0.265CS..Hα-helixtrans-63.7-29.9176.600000112.4L352 P490 A491 K626L352-A494 HydrophobicContact CD2-CB 4.09Å; P490-A494 PolarHBondContact O-N 3.21Å; A491-A494 PolarHBondContact O-N 2.85Å; A494-K626 WeakPolarHBondContact O-CE 3.38Å
495E82.1Confident72.8Confident99 Ų9947.4 Ų47.446%0.46328%0.276SS..Hα-helixtrans-66-33.4176.6-77.4177.7-170.500113.3A491 Q492 L493 K626 H627A491-E495 WeakPolarHBondContact O-CG 3.18Å; A491-E495 PolarHBondContact O-N 2.98Å; Q492-E495 PolarHBondContact O-N 3.11Å; L493-E495 PolarHBondContact O-N 3.44Å; E495-K626 PolarHBondContact O-NZ 3.25Å; E495-H627 IonicContact OE1-CD2 3.89Å; E495-H627 IonicContact OE1-NE2 3.41Å
496T86.1Confident73.3Confident25 Ų2548.1 Ų48.115%0.15327%0.271CS..Hα-helixtrans-74.5-27.1-176.962.30000113.9Q430 E434 L493Q430-T496 HydrophobicContact CG-CG2 3.55Å; E434-T496 HydrophobicContact CG-CG2 3.5Å; E434-T496 WeakPolarHBondContact OE1-CG2 3.43Å; L493-T496 PolarHBondContact O-N 3.34Å; L493-T496 PolarHBondContact O-OG1 3.18Å
497F88.8Confident73.6Confident1 Ų150.1 Ų50.10%0.00428%0.283CS..SBendtrans-65.7139.5170.9-75.4-89.9000110.3D350 L352 L418 L433 F463 A465 L493 K626D350-F497 HydrophobicContact CB-CD1 3.82Å; D350-F497 HydrophobicContact CB-CE1 4.48Å; L352-F497 HydrophobicContact CB-CB 4.03Å; L352-F497 HydrophobicContact CB-CD1 3.85Å; L352-F497 HydrophobicContact CB-CD2 4.01Å; L352-F497 HydrophobicContact CB-CE1 4.33Å; L352-F497 HydrophobicContact CB-CE2 4.47Å; L352-F497 HydrophobicContact CB-CG 3.69Å; L352-F497 HydrophobicContact CD2-CD2 4.01Å; L352-F497 HydrophobicContact CD2-CE2 4.37Å; L352-F497 HydrophobicContact CD2-CG 4.49Å; L352-F497 HydrophobicContact CG-CD2 4.48Å; L418-F497 HydrophobicContact CD1-CE2 4.16Å; L418-F497 HydrophobicContact CD1-CZ 4.12Å; L433-F497 HydrophobicContact CD1-CD2 4.18Å; L433-F497 HydrophobicContact CD1-CE1 4.16Å; L433-F497 HydrophobicContact CD1-CE2 3.75Å; L433-F497 HydrophobicContact CD1-CZ 3.73Å; F463-F497 HydrophobicContact CB-CE1 4.44Å; A465-F497 HydrophobicContact CB-CE1 3.83Å; A465-F497 HydrophobicContact CB-CZ 3.79Å; L493-F497 HydrophobicContact CD1-CE2 4.15Å; L493-F497 HydrophobicContact CG-CE2 4.1Å; L493-F497 VanDerWaalsContact O-CD2 3.28Å; L493-F497 WeakPolarHBondContact O-CD2 3.5Å; F497-K626 WeakPolarHBondContact O-CE 3.46Å; F497-K626 PolarHBondContact O-NZ 2.98Å
498G87.3Confident74Confident14 Ų1450.6 Ų50.614%0.14429%0.288CS..SBendtrans-60.2-54.9175.300000111.5D350 L590 S622 K626D350-G498 PolarHBondContact O-N 3.17Å; G498-L590 WeakPolarHBondContact O-CD2 3.47Å; G498-S622 PolarHBondContact O-OG 3.11Å; G498-K626 PolarHBondContact O-NZ 3.25Å
499L90.8Very high74.5Confident6 Ų656.2 Ų56.23%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-117.8130.9-176.3-70.7165000111.8D350 L351 L352 L590 L594 L618D350-L499 PolarHBondContact O-N 3.24Å; L351-L499 WeakPolarHBondContact CA-O 3.39Å; L351-L499 HydrophobicContact CD1-CB 3.93Å; L352-L499 PolarHBondContact N-O 2.86Å; L499-L590 HydrophobicContact CG-CD1 4.32Å; L499-L594 HydrophobicContact CD1-CD1 4.42Å; L499-L594 HydrophobicContact CD1-CD2 3.72Å; L499-L594 HydrophobicContact CD1-CG 4.46Å; L499-L594 HydrophobicContact CD2-CD1 4.03Å; L499-L618 HydrophobicContact CD2-CB 4.42Å
500V90.9Very high74.7Confident7 Ų765.8 Ų65.84%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-113.3123.8168.4-178.50000107.9L352 V354 S622 L625 K626L352-V500 HydrophobicContact CB-CG2 4.25Å; L352-V500 HydrophobicContact CD2-CG2 4.24Å; L352-V500 CarbonylContact O-C 3.59Å; L352-V500 WeakPolarHBondContact O-CA 3.3Å; V354-V500 HydrophobicContact CG2-CG1 3.88Å; V500-S622 PolarHBondContact N-OG 2.99Å; V500-S622 WeakPolarHBondContact O-CA 3.39Å; V500-L625 HydrophobicContact CG1-CB 4.26Å; V500-L625 HydrophobicContact CG1-CD1 4.37Å; V500-L625 WeakPolarHBondContact O-CD1 3.41Å; V500-K626 HydrophobicContact CB-CG 4.41Å; V500-K626 HydrophobicContact CG2-CD 4.27Å; V500-K626 VanDerWaalsContact CG2-CE 3.41Å; V500-K626 HydrophobicContact CG2-CG 3.85Å
501V89.9Confident75Confident14 Ų1464 Ų649%0.08533%0.334CS..EExtended strand (participates in β ladder)trans-121.1120.4179.8-1770000109T328 L329 L351 L352 V353 V354T328-V501 HydrophobicContact CG2-CG1 4.39Å; L329-V501 HydrophobicContact CB-CG1 4.35Å; L351-V501 HydrophobicContact CD1-CG2 3.73Å; L352-V501 PolarHBondContact O-N 2.71Å; V353-V501 WeakPolarHBondContact CA-O 3.28Å; V354-V501 PolarHBondContact N-O 3.14Å
502Q86.9Confident75.2Confident84 Ų8465.1 Ų65.139%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-88.7120.4173.5-172.8176.76.300110.1V354 L625V354-Q502 HydrophobicContact CB-CG 4.46Å; V354-Q502 CarbonylContact O-C 3.44Å; V354-Q502 WeakPolarHBondContact O-CA 3.18Å; Q502-L625 HydrophobicContact CB-CD1 3.69Å; Q502-L625 HydrophobicContact CB-CD2 3.78Å; Q502-L625 HydrophobicContact CB-CG 4.41Å
503C80.3Confident75.4Confident8 Ų863 Ų635%0.05434%0.339CS..EExtended strand (participates in β ladder)trans-11486.3176.8-640000108.8Y326 V353 V354 T355 L361Y326-C503 HydrophobicContact CD1-CB 3.98Å; Y326-C503 HydrophobicContact CE1-CB 4.1Å; V353-C503 HydrophobicContact CG1-CB 4.34Å; V354-C503 PolarHBondContact O-N 3.09Å; T355-C503 WeakPolarHBondContact CA-O 3.45Å; T355-C503 WeakPolarHBondContact CB-O 3.41Å; T355-C503 PolarHBondContact OG1-O 2.74Å; L361-C503 HydrophobicContact CD1-CB 3.4Å; L361-C503 VanDerWaalsContact CD1-CB 3.4Å
504G65.8Low75.4Confident36 Ų3664.8 Ų64.837%0.37135%0.354SS..  trans173.7150.1176.600000114.6
505D51Low75.5Confident154 Ų15465 Ų6582%0.82435%0.353SS*.SBendtrans85.48.5157.8-126.813.2000120.7
506R50.6Low75.7Confident185 Ų18562.6 Ų62.670%0.69835%0.35SS*.SBendtrans-113.3-27179.2-73.6-171157.4-141.2-5.4117.6G508R506-G508 PolarHBondContact O-N 3.04Å
507V49.8Very low75.8Confident93 Ų9365.8 Ų65.856%0.56437%0.366SS*.SBendtrans-75.8-7.6170.4-158.30000110.7R510 G511V507-R510 HydrophobicContact CG1-CB 4.03Å; V507-R510 WeakPolarHBondContact O-CB 3.33Å; V507-R510 PolarHBondContact O-N 2.74Å; V507-G511 VanDerWaalsContact CG1-CA 3.41Å; V507-G511 PolarHBondContact O-N 3.09Å
508G55.3Low75.7Confident46 Ų4666.1 Ų66.147%0.47437%0.368SS..Hα-helixtrans55.1-148.4-176.400000111.7R506 R510 G511R506-G508 PolarHBondContact O-N 3.04Å; G508-R510 PolarHBondContact O-N 3.49Å; G508-R510 VanDerWaalsContact O-N 3.16Å; G508-G511 PolarHBondContact O-N 2.9Å
509E60.2Low75.7Confident173 Ų17368.7 Ų68.781%0.80838%0.381SS*.Hα-helixtrans-55-29.5174.1-67.8-179.9163.400112.9G511 A512 V513E509-G511 PolarHBondContact O-N 2.84Å; E509-A512 PolarHBondContact O-N 2.78Å; E509-V513 WeakPolarHBondContact O-CB 3.41Å; E509-V513 WeakPolarHBondContact O-CG2 3.4Å; E509-V513 PolarHBondContact O-N 3.33Å
510R66.7Low75.6Confident211 Ų21173.8 Ų73.880%0.79641%0.408SS*.Hα-helixtrans-63.6-38.3-178.6-78.4-174.6-177.5-172.81113.1V507 G508 V513 A514V507-R510 HydrophobicContact CG1-CB 4.03Å; V507-R510 WeakPolarHBondContact O-CB 3.33Å; V507-R510 PolarHBondContact O-N 2.74Å; G508-R510 PolarHBondContact O-N 3.49Å; G508-R510 VanDerWaalsContact O-N 3.16Å; R510-V513 PolarHBondContact O-N 3.42Å; R510-A514 VanDerWaalsContact O-CB 3.3Å; R510-A514 WeakPolarHBondContact O-CB 3.45Å; R510-A514 PolarHBondContact O-N 3.42Å
511G74.7Confident75.3Confident8 Ų877.2 Ų77.28%0.08242%0.423CS..Hα-helixtrans-71.8-41.2-179.500000111.9V507 G508 E509 V513 A514 Q515V507-G511 VanDerWaalsContact CG1-CA 3.41Å; V507-G511 PolarHBondContact O-N 3.09Å; G508-G511 PolarHBondContact O-N 2.9Å; E509-G511 PolarHBondContact O-N 2.84Å; G511-V513 VanDerWaalsContact C-N 3.35Å; G511-A514 PolarHBondContact O-N 2.85Å; G511-Q515 WeakPolarHBondContact O-CB 3.43Å; G511-Q515 PolarHBondContact O-N 2.89Å
512A77.1Confident75Confident68 Ų6878 Ų7856%0.56243%0.426SS*.Hα-helixtrans-63.4-41.8173.900000111.4E509 Q515 A516E509-A512 PolarHBondContact O-N 2.78Å; A512-Q515 PolarHBondContact O-N 3.25Å; A512-A516 VanDerWaalsContact O-CB 3.3Å; A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 2.84Å
513V82.7Confident74.9Confident80 Ų8077.9 Ų77.949%0.48544%0.439SS..Hα-helixtrans-64.9-43.8174.8170.90000111.2E509 R510 G511 Q515 A516 L517E509-V513 WeakPolarHBondContact O-CB 3.41Å; E509-V513 WeakPolarHBondContact O-CG2 3.4Å; E509-V513 PolarHBondContact O-N 3.33Å; R510-V513 PolarHBondContact O-N 3.42Å; G511-V513 VanDerWaalsContact C-N 3.35Å; V513-Q515 PolarHBondContact O-N 3.01Å; V513-A516 PolarHBondContact O-N 3.08Å; V513-L517 HydrophobicContact CG1-CD1 3.83Å; V513-L517 HydrophobicContact CG1-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CB 3.42Å; V513-L517 VanDerWaalsContact O-CG 3.31Å; V513-L517 WeakPolarHBondContact O-CG 3.15Å; V513-L517 PolarHBondContact O-N 2.69Å
514A83.3Confident75.3Confident39 Ų3982.9 Ų82.932%0.32247%0.469SS..Hα-helixtrans-60.9-44.8176.500000111.7P322 R510 G511 H518P322-A514 HydrophobicContact CG-CB 4.44Å; R510-A514 VanDerWaalsContact O-CB 3.3Å; R510-A514 WeakPolarHBondContact O-CB 3.45Å; R510-A514 PolarHBondContact O-N 3.42Å; G511-A514 PolarHBondContact O-N 2.85Å; A514-H518 WeakPolarHBondContact O-CB 3.14Å; A514-H518 PolarHBondContact O-N 3.41Å
515Q85.9Confident75.9Confident13 Ų1386.6 Ų86.66%0.06148%0.477CS..Hα-helixtrans-63.4-42.1175.2-17762.742.800111.9L320 V360 G511 A512 V513 H518 T519L320-Q515 PolarHBondContact O-NE2 2.74Å; V360-Q515 HydrophobicContact CG2-CG 4.18Å; G511-Q515 WeakPolarHBondContact O-CB 3.43Å; G511-Q515 PolarHBondContact O-N 2.89Å; A512-Q515 PolarHBondContact O-N 3.25Å; V513-Q515 PolarHBondContact O-N 3.01Å; Q515-H518 PolarHBondContact O-N 2.8Å; Q515-T519 PolarHBondContact NE2-OG1 3.02Å; Q515-T519 WeakPolarHBondContact O-CB 3.24Å; Q515-T519 PolarHBondContact O-N 3.11Å; Q515-T519 PolarHBondContact O-OG1 2.95Å
516A86.7Confident77Confident49 Ų4984.5 Ų84.541%0.40547%0.472SS..Hα-helixtrans-65-46.7178.200000111.9A512 V513 H518 T519 L520A512-A516 VanDerWaalsContact O-CB 3.3Å; A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 2.84Å; V513-A516 PolarHBondContact O-N 3.08Å; A516-H518 VanDerWaalsContact C-N 3.34Å; A516-H518 PolarHBondContact O-N 3.32Å; A516-T519 PolarHBondContact O-N 3.23Å; A516-L520 WeakPolarHBondContact O-CB 3.43Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.2Å
517L87.6Confident77.6Confident93 Ų9378.1 Ų78.149%0.48746%0.464SS..Hα-helixtrans-59.3-45.8175-75.2171.9000111.1V513 L520 Q521V513-L517 HydrophobicContact CG1-CD1 3.83Å; V513-L517 HydrophobicContact CG1-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CB 3.42Å; V513-L517 VanDerWaalsContact O-CG 3.31Å; V513-L517 WeakPolarHBondContact O-CG 3.15Å; V513-L517 PolarHBondContact O-N 2.69Å; L517-L520 PolarHBondContact O-N 3.19Å; L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 VanDerWaalsContact O-CG 3.26Å; L517-Q521 WeakPolarHBondContact O-CG 3.21Å; L517-Q521 PolarHBondContact O-N 2.78Å
518H86.5Confident78.2Confident7 Ų776.4 Ų76.43%0.03246%0.456CS..Hα-helixtrans-61.8-45.6177.9-175.976.8000112L318 P322 A514 Q515 A516 L520 Q521 Q522L318-H518 PolarHBondContact O-CE1 3.05Å; L318-H518 PolarHBondContact O-NE2 2.93Å; P322-H518 HydrophobicContact CB-CB 4.16Å; P322-H518 HydrophobicContact CG-CB 4.31Å; A514-H518 WeakPolarHBondContact O-CB 3.14Å; A514-H518 PolarHBondContact O-N 3.41Å; Q515-H518 PolarHBondContact O-N 2.8Å; A516-H518 VanDerWaalsContact C-N 3.34Å; A516-H518 PolarHBondContact O-N 3.32Å; H518-L520 VanDerWaalsContact C-N 3.35Å; H518-L520 PolarHBondContact O-N 2.88Å; H518-Q521 PolarHBondContact O-N 2.93Å; H518-Q522 WeakPolarHBondContact O-CG 3.46Å; H518-Q522 PolarHBondContact O-N 2.98Å
519T87.3Confident78.5Confident69 Ų6976.4 Ų76.442%0.42344%0.443SS..Hα-helixtrans-62.3-42.3177.7-55.30000111.4Q515 A516 A523Q515-T519 PolarHBondContact NE2-OG1 3.02Å; Q515-T519 WeakPolarHBondContact O-CB 3.24Å; Q515-T519 PolarHBondContact O-N 3.11Å; Q515-T519 PolarHBondContact O-OG1 2.95Å; A516-T519 PolarHBondContact O-N 3.23Å; T519-A523 WeakPolarHBondContact O-CB 3.24Å; T519-A523 PolarHBondContact O-N 2.85Å; T519-A523 VanDerWaalsContact O-N 3.08Å
520L88.2Confident77.8Confident113 Ų11371.4 Ų71.459%0.59243%0.426SS*.Hα-helixtrans-63.7-45.1175.2-75.7166.7000111.3A516 L517 H518 A523 V524A516-L520 WeakPolarHBondContact O-CB 3.43Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.2Å; L517-L520 PolarHBondContact O-N 3.19Å; H518-L520 VanDerWaalsContact C-N 3.35Å; H518-L520 PolarHBondContact O-N 2.88Å; L520-A523 WeakPolarHBondContact O-CB 3.48Å; L520-A523 PolarHBondContact O-N 2.85Å; L520-V524 VanDerWaalsContact O-CG2 3.31Å; L520-V524 WeakPolarHBondContact O-CG2 3.45Å; L520-V524 PolarHBondContact O-N 2.82Å
521Q84.9Confident77Confident79 Ų7967.6 Ų67.637%0.36942%0.417SS..Hα-helixtrans-60.7-47.3178.1-76.7170.6-15.300111.8L517 H518 A523 V524 Q525L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 VanDerWaalsContact O-CG 3.26Å; L517-Q521 WeakPolarHBondContact O-CG 3.21Å; L517-Q521 PolarHBondContact O-N 2.78Å; H518-Q521 PolarHBondContact O-N 2.93Å; Q521-A523 PolarHBondContact O-N 3.11Å; Q521-V524 PolarHBondContact O-N 3.22Å; Q521-V524 VanDerWaalsContact O-N 3.1Å; Q521-Q525 PolarHBondContact O-N 3.12Å
522Q84Confident75.6Confident29 Ų2972.8 Ų72.814%0.13645%0.449CS..Hα-helixtrans-62.1-31.3176.3-70.4-63.8-9.900112.5H518 P526 G527H518-Q522 WeakPolarHBondContact O-CG 3.46Å; H518-Q522 PolarHBondContact O-N 2.98Å; Q522-P526 WeakPolarHBondContact O-CA 3.33Å; Q522-G527 VanDerWaalsContact OE1-N 3.15Å
523A85.1Confident74.5Confident82 Ų8271.9 Ų71.968%0.67844%0.439SS*.Hα-helixtrans-72.8-32.9174.500000113.2T519 L520 Q521T519-A523 WeakPolarHBondContact O-CB 3.24Å; T519-A523 PolarHBondContact O-N 2.85Å; T519-A523 VanDerWaalsContact O-N 3.08Å; L520-A523 WeakPolarHBondContact O-CB 3.48Å; L520-A523 PolarHBondContact O-N 2.85Å; Q521-A523 PolarHBondContact O-N 3.11Å
524V87.1Confident73.1Confident113 Ų11373.1 Ų73.169%0.68545%0.45SS*.Hα-helixtrans-85.8-41180-178.10000112.3L520 Q521L520-V524 VanDerWaalsContact O-CG2 3.31Å; L520-V524 WeakPolarHBondContact O-CG2 3.45Å; L520-V524 PolarHBondContact O-N 2.82Å; Q521-V524 PolarHBondContact O-N 3.22Å; Q521-V524 VanDerWaalsContact O-N 3.1Å
525Q80.4Confident72.4Confident115 Ų11573.4 Ų73.454%0.53744%0.442SS..SBendtrans-135.981.2-178.1-65.4-178.810.900109.5Q521 G527 S528Q521-Q525 PolarHBondContact O-N 3.12Å; Q525-G527 PolarHBondContact O-N 2.86Å; Q525-S528 PolarHBondContact O-N 2.71Å; Q525-S528 VanDerWaalsContact O-N 3.11Å; Q525-S528 PolarHBondContact OE1-OG 3.38Å
526P72.4Confident71.8Confident110 Ų11076.9 Ų76.971%0.71446%0.459SS*.THydrogen-bonded Turntrans-61127-179.323.9-32.5000110.4Q522Q522-P526 WeakPolarHBondContact O-CA 3.33Å
527G64.5Low71.6Confident51 Ų5175.9 Ų75.953%0.52645%0.445SS..THydrogen-bonded Turntrans82.54-179.200000115.4Q522 Q525Q522-G527 VanDerWaalsContact OE1-N 3.15Å; Q525-G527 PolarHBondContact O-N 2.86Å
528S60.8Low71.5Confident57 Ų5773.9 Ų73.940%0.39944%0.439SS..  trans-93.7106172.6-162.50000109.8Q525Q525-S528 PolarHBondContact O-N 2.71Å; Q525-S528 VanDerWaalsContact O-N 3.11Å; Q525-S528 PolarHBondContact OE1-OG 3.38Å
529H62.1Low71.4Confident45 Ų4575.4 Ų75.421%0.20845%0.449CS..  trans-85.7126.6177.4-56.7-65.3000109.9D319 H531 E536D319-H529 IonicContact OD1-CE1 3.83Å; H529-H531 PolarHBondContact O-N 2.95Å; H529-H531 VanDerWaalsContact O-N 3.16Å; H529-E536 IonicContact CD2-OE1 3.71Å
530P46.9Very low71.3Confident69 Ų6979.1 Ų79.145%0.44846%0.461SS..SBendtrans-66.1-18.6-172.925.8-35.7000113.8
531H49.2Very low71.2Confident131 Ų13174.3 Ų74.361%0.60644%0.436SS*.SBendtrans-120.8116.3169.6-69.8-55.2000108H529 S533H529-H531 PolarHBondContact O-N 2.95Å; H529-H531 VanDerWaalsContact O-N 3.16Å; H531-S533 PolarHBondContact O-N 3.47Å
532P45.9Very low71.4Confident116 Ų11670.6 Ų70.675%0.75342%0.419SS*.  trans-67.584.5165.227.4-30.3000106.8
533S52.9Low71.6Confident49 Ų4972 Ų7234%0.34343%0.426SS..  trans-65.9146.1166.162.90000106.6H531 W535H531-S533 PolarHBondContact O-N 3.47Å; S533-W535 PolarHBondContact O-N 2.78Å
534C53.8Low71.6Confident106 Ų10670.8 Ų70.872%0.71641%0.406SS*.SBendtrans-62-0.8177.6-169.10000112.5
535W67.2Low71.6Confident46 Ų4665.7 Ų65.717%0.17438%0.375CS..  trans-134.462.3-160.9-48.8-28.6000111.5I311 C315 S533 F537 L651I311-W535 HydrophobicContact CB-CE3 4.21Å; I311-W535 HydrophobicContact CB-CZ3 4.31Å; I311-W535 HydrophobicContact CD1-CE3 4.35Å; I311-W535 HydrophobicContact CD1-CH2 3.87Å; I311-W535 HydrophobicContact CD1-CZ2 4.06Å; I311-W535 HydrophobicContact CD1-CZ3 4.01Å; I311-W535 HydrophobicContact CG1-CE3 3.96Å; I311-W535 HydrophobicContact CG1-CH2 3.94Å; I311-W535 HydrophobicContact CG1-CZ3 3.6Å; I311-W535 HydrophobicContact CG2-CB 4.3Å; I311-W535 HydrophobicContact CG2-CD2 3.72Å; I311-W535 HydrophobicContact CG2-CE3 3.39Å; I311-W535 HydrophobicContact CG2-CG 4.13Å; I311-W535 HydrophobicContact CG2-CZ3 3.97Å; C315-W535 PolarHBondContact SG-O 2.76Å; C315-W535 VanDerWaalsContact SG-O 3.36Å; S533-W535 PolarHBondContact O-N 2.78Å; W535-F537 HydrophobicContact CB-CE2 3.85Å; W535-F537 HydrophobicContact CB-CZ 4.18Å; W535-L651 HydrophobicContact CH2-CD1 3.58Å; W535-L651 HydrophobicContact CH2-CG 4.48Å; W535-L651 HydrophobicContact CZ2-CD1 4.31Å; W535-L651 HydrophobicContact CZ3-CD1 4.41Å
536E73.9Confident72Confident85 Ų8560.4 Ų60.440%0.39735%0.35SS..  trans-93.1119.4171.2-69.1179.2175.400110.6R293 H529R293-E536 PolarHBondContact NH1-O 3.2Å; R293-E536 VanDerWaalsContact NH1-O 3.07Å; H529-E536 IonicContact CD2-OE1 3.71Å
537F83.8Confident72.6Confident29 Ų2957.2 Ų57.213%0.12733%0.333CS..  trans-118.7135.4178.9-55.3-73.6000110.5R293 F294 L297 I311 C315 W535 D541 Y542R293-F537 HydrophobicContact CB-CD1 4.39Å; R293-F537 HydrophobicContact CB-CE1 4.19Å; F294-F537 HydrophobicContact CD1-CD1 4.16Å; F294-F537 AromaticContact CD1-CE1 3.95Å; F294-F537 HydrophobicContact CD1-CE1 3.95Å; F294-F537 HydrophobicContact CD1-CZ 4.23Å; F294-F537 HydrophobicContact CD2-CD1 4.47Å; F294-F537 AromaticContact CE1-CD1 3.64Å; F294-F537 HydrophobicContact CE1-CD1 3.64Å; F294-F537 AromaticContact CE1-CD2 3.76Å; F294-F537 HydrophobicContact CE1-CD2 3.76Å; F294-F537 AromaticContact CE1-CE1 3.71Å; F294-F537 HydrophobicContact CE1-CE1 3.71Å; F294-F537 AromaticContact CE1-CE2 3.81Å; F294-F537 HydrophobicContact CE1-CE2 3.81Å; F294-F537 AromaticContact CE1-CG 3.69Å; F294-F537 HydrophobicContact CE1-CG 3.69Å; F294-F537 AromaticContact CE1-CZ 3.82Å; F294-F537 HydrophobicContact CE1-CZ 3.82Å; F294-F537 HydrophobicContact CE2-CB 4.22Å; F294-F537 HydrophobicContact CE2-CD1 4.01Å; F294-F537 HydrophobicContact CE2-CG 4.12Å; F294-F537 HydrophobicContact CZ-CB 3.73Å; F294-F537 AromaticContact CZ-CD1 3.56Å; F294-F537 HydrophobicContact CZ-CD1 3.56Å; F294-F537 AromaticContact CZ-CD2 3.79Å; F294-F537 HydrophobicContact CZ-CD2 3.79Å; F294-F537 HydrophobicContact CZ-CE1 4.13Å; F294-F537 HydrophobicContact CZ-CE2 4.32Å; F294-F537 AromaticContact CZ-CG 3.38Å; F294-F537 HydrophobicContact CZ-CG 3.38Å; F294-F537 HydrophobicContact CZ-CZ 4.5Å; L297-F537 HydrophobicContact CD2-CE2 4.42Å; L297-F537 HydrophobicContact CD2-CZ 3.83Å; I311-F537 HydrophobicContact CG2-CE2 4.43Å; C315-F537 HydrophobicContact CB-CD2 3.96Å; C315-F537 HydrophobicContact CB-CE2 4.33Å; W535-F537 HydrophobicContact CB-CE2 3.85Å; W535-F537 HydrophobicContact CB-CZ 4.18Å; F537-D541 HydrophobicContact CB-CB 4.31Å; F537-Y542 HydrophobicContact CB-CD2 4.3Å; F537-Y542 HydrophobicContact CB-CE2 3.73Å
538S84.9Confident73.6Confident50 Ų5059.6 Ų59.635%0.3533%0.326SS..  trans-77.7162.8176.469.30000111.6E540 D541 Y542S538-E540 PolarHBondContact O-N 3.42Å; S538-E540 PolarHBondContact OG-N 3.46Å; S538-D541 WeakPolarHBondContact CB-OD2 3.45Å; S538-D541 PolarHBondContact N-OD2 3.45Å; S538-D541 WeakPolarHBondContact O-CB 3.47Å; S538-D541 PolarHBondContact O-N 3.31Å; S538-D541 PolarHBondContact OG-N 3.4Å; S538-D541 PolarHBondContact OG-OD2 3.34Å; S538-Y542 WeakPolarHBondContact O-CD2 3.12Å; S538-Y542 PolarHBondContact O-N 2.63Å
539T84.8Confident74.9Confident40 Ų4056.9 Ų56.925%0.24531%0.307CS..Hα-helixtrans-57.8-34.8171.1-52.90000111.9Y367 L371 Y542 Q543Y367-T539 HydrophobicContact CE2-CG2 3.86Å; Y367-T539 PolarHBondContact OH-OG1 3.48Å; L371-T539 HydrophobicContact CD2-CG2 3.67Å; T539-Y542 PolarHBondContact O-N 3.29Å; T539-Q543 WeakPolarHBondContact O-CG 3.4Å; T539-Q543 PolarHBondContact O-N 3.19Å
540E84.3Confident76Confident147 Ų14757.1 Ų57.169%0.68731%0.306SS*.Hα-helixtrans-63.5-41177.1-65.7175.8-176.900111.4S538 Y542 Q543 E544S538-E540 PolarHBondContact O-N 3.42Å; S538-E540 PolarHBondContact OG-N 3.46Å; E540-Y542 VanDerWaalsContact C-N 3.3Å; E540-Y542 PolarHBondContact O-N 2.83Å; E540-Q543 WeakPolarHBondContact O-CB 3.37Å; E540-Q543 PolarHBondContact O-N 3.41Å; E540-Q543 VanDerWaalsContact O-N 3.15Å; E540-E544 PolarHBondContact O-N 3.39Å
541D86.9Confident77.6Confident12 Ų1256.7 Ų56.76%0.06431%0.314CS..Hα-helixtrans-59.6-42175.4-60.1-49.5000111.1S291 F294 F537 S538 E544 L545S291-D541 WeakPolarHBondContact CB-OD1 3.39Å; S291-D541 PolarHBondContact OG-OD1 3.09Å; F294-D541 HydrophobicContact CD2-CB 3.97Å; F294-D541 HydrophobicContact CE2-CB 3.55Å; F537-D541 HydrophobicContact CB-CB 4.31Å; S538-D541 WeakPolarHBondContact CB-OD2 3.45Å; S538-D541 PolarHBondContact N-OD2 3.45Å; S538-D541 WeakPolarHBondContact O-CB 3.47Å; S538-D541 PolarHBondContact O-N 3.31Å; S538-D541 PolarHBondContact OG-N 3.4Å; S538-D541 PolarHBondContact OG-OD2 3.34Å; D541-E544 PolarHBondContact O-N 3.05Å; D541-L545 WeakPolarHBondContact O-CB 3.06Å; D541-L545 PolarHBondContact O-N 2.83Å
542Y89.3Confident79.4Confident1 Ų152.2 Ų52.20%0.00430%0.295CS..Hα-helixtrans-69.1-34.8176.6-79.3-76.7000112.8F294 V312 C315 F316 L334 F537 S538 T539 E540 L545 V546F294-Y542 HydrophobicContact CE2-CD1 4.43Å; F294-Y542 HydrophobicContact CE2-CG 4.48Å; F294-Y542 HydrophobicContact CZ-CD1 4.2Å; F294-Y542 AromaticContact CZ-CE1 3.91Å; F294-Y542 HydrophobicContact CZ-CE1 3.91Å; F294-Y542 HydrophobicContact CZ-CE2 4.26Å; F294-Y542 HydrophobicContact CZ-CG 4.49Å; F294-Y542 AromaticContact CZ-CZ 3.93Å; V312-Y542 HydrophobicContact CG1-CD1 4.45Å; V312-Y542 HydrophobicContact CG1-CE1 3.65Å; V312-Y542 PolarHBondContact O-OH 3Å; C315-Y542 PolarHBondContact O-OH 3.34Å; F316-Y542 WeakPolarHBondContact CA-OH 3.07Å; F316-Y542 HydrophobicContact CB-CE1 4.33Å; F316-Y542 AromaticContact CD2-CD1 3.68Å; F316-Y542 HydrophobicContact CD2-CD1 3.68Å; F316-Y542 HydrophobicContact CD2-CD2 4.41Å; F316-Y542 AromaticContact CD2-CE1 3.47Å; F316-Y542 HydrophobicContact CD2-CE1 3.47Å; F316-Y542 VanDerWaalsContact CD2-CE1 3.47Å; F316-Y542 HydrophobicContact CD2-CE2 4.23Å; F316-Y542 HydrophobicContact CD2-CG 4.16Å; F316-Y542 AromaticContact CD2-CZ 3.78Å; F316-Y542 AromaticContact CE2-CD1 4Å; F316-Y542 HydrophobicContact CE2-CD1 4Å; F316-Y542 HydrophobicContact CE2-CE1 4.25Å; F316-Y542 HydrophobicContact CE2-CG 4.3Å; F316-Y542 HydrophobicContact CG-CE1 4.36Å; F316-Y542 PolarHBondContact N-OH 3.47Å; L334-Y542 HydrophobicContact CD2-CD1 4.17Å; L334-Y542 HydrophobicContact CD2-CE1 4.37Å; F537-Y542 HydrophobicContact CB-CD2 4.3Å; F537-Y542 HydrophobicContact CB-CE2 3.73Å; S538-Y542 WeakPolarHBondContact O-CD2 3.12Å; S538-Y542 PolarHBondContact O-N 2.63Å; T539-Y542 PolarHBondContact O-N 3.29Å; E540-Y542 VanDerWaalsContact C-N 3.3Å; E540-Y542 PolarHBondContact O-N 2.83Å; Y542-L545 HydrophobicContact CD1-CD2 4.48Å; Y542-L545 PolarHBondContact O-N 3.03Å; Y542-V546 WeakPolarHBondContact O-CG2 3.25Å; Y542-V546 PolarHBondContact O-N 3.27Å
543Q87.1Confident81.3Confident59 Ų5953.3 Ų53.328%0.27629%0.29SS..Hα-helixtrans-64-43.2174.3-71.4-172.9-36.900111.4L371 T539 E540 A547L371-Q543 HydrophobicContact CD2-CG 3.46Å; L371-Q543 VanDerWaalsContact CD2-CG 3.46Å; T539-Q543 WeakPolarHBondContact O-CG 3.4Å; T539-Q543 PolarHBondContact O-N 3.19Å; E540-Q543 WeakPolarHBondContact O-CB 3.37Å; E540-Q543 PolarHBondContact O-N 3.41Å; E540-Q543 VanDerWaalsContact O-N 3.15Å; Q543-A547 VanDerWaalsContact O-CB 3.26Å; Q543-A547 WeakPolarHBondContact O-CB 3.47Å; Q543-A547 PolarHBondContact O-N 3.36Å
544E84.9Confident83Confident56 Ų5652 Ų5226%0.26228%0.28SS..Hα-helixtrans-63-46.5175.1-173.8177.7175.600111.3S291 E540 D541 V546 A547 R548S291-E544 WeakPolarHBondContact CB-OE2 3.43Å; S291-E544 PolarHBondContact N-OE2 2.98Å; E540-E544 PolarHBondContact O-N 3.39Å; D541-E544 PolarHBondContact O-N 3.05Å; E544-V546 PolarHBondContact O-N 3.04Å; E544-A547 PolarHBondContact O-N 3.43Å; E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.45Å
545L88.1Confident84.8Confident6 Ų654.3 Ų54.33%0.03128%0.28CS..Hα-helixtrans-56.6-52.3177.8-179.965.3000111.3F294 F308 V312 D541 Y542 A547 R548 S549 L601 L603F294-L545 HydrophobicContact CB-CD1 4.43Å; F294-L545 HydrophobicContact CD1-CD2 4.45Å; F294-L545 HydrophobicContact CD2-CB 4.03Å; F294-L545 HydrophobicContact CD2-CD2 4.22Å; F294-L545 HydrophobicContact CE1-CD2 4.43Å; F294-L545 HydrophobicContact CE2-CB 4.28Å; F294-L545 HydrophobicContact CE2-CD2 4.16Å; F294-L545 HydrophobicContact CG-CD1 4.5Å; F294-L545 HydrophobicContact CG-CD2 4.37Å; F294-L545 HydrophobicContact CZ-CD2 4.28Å; F308-L545 HydrophobicContact CZ-CD1 4.32Å; V312-L545 HydrophobicContact CG1-CD2 3.7Å; D541-L545 WeakPolarHBondContact O-CB 3.06Å; D541-L545 PolarHBondContact O-N 2.83Å; Y542-L545 HydrophobicContact CD1-CD2 4.48Å; Y542-L545 PolarHBondContact O-N 3.03Å; L545-A547 PolarHBondContact O-N 2.98Å; L545-R548 PolarHBondContact O-N 2.97Å; L545-S549 VanDerWaalsContact O-CB 3.3Å; L545-S549 WeakPolarHBondContact O-CB 3.26Å; L545-S549 PolarHBondContact O-N 3.13Å; L545-S549 PolarHBondContact O-OG 2.92Å; L545-S549 VanDerWaalsContact O-OG 3.08Å; L545-L601 HydrophobicContact CD2-CD1 4.13Å; L545-L603 HydrophobicContact CD1-CD1 4.12Å; L545-L603 HydrophobicContact CD1-CD2 3.98Å; L545-L603 HydrophobicContact CD1-CG 4.11Å
546V89.1Confident86Confident4 Ų454.7 Ų54.72%0.02429%0.285CS..Hα-helixtrans-62.6-44.6-179.7171.70000111.2L337 Y542 E544 R548 S549 R550L337-V546 HydrophobicContact CB-CG1 4.15Å; L337-V546 HydrophobicContact CB-CG2 4.28Å; L337-V546 HydrophobicContact CD1-CG2 4.48Å; Y542-V546 WeakPolarHBondContact O-CG2 3.25Å; Y542-V546 PolarHBondContact O-N 3.27Å; E544-V546 PolarHBondContact O-N 3.04Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.37Å; V546-S549 PolarHBondContact O-N 3.3Å; V546-R550 VanDerWaalsContact O-CB 3.28Å; V546-R550 WeakPolarHBondContact O-CB 3.3Å; V546-R550 PolarHBondContact O-N 2.95Å
547A84.7Confident87Confident43 Ų4350.9 Ų50.936%0.35527%0.268SS..Hα-helixtrans-61.2-41.5179.200000112P282 Q543 E544 L545P282-A547 HydrophobicContact CB-CB 4.26Å; P282-A547 HydrophobicContact CG-CB 4.37Å; Q543-A547 VanDerWaalsContact O-CB 3.26Å; Q543-A547 WeakPolarHBondContact O-CB 3.47Å; Q543-A547 PolarHBondContact O-N 3.36Å; E544-A547 PolarHBondContact O-N 3.43Å; L545-A547 PolarHBondContact O-N 2.98Å
548R85.7Confident87.4Confident101 Ų10153.7 Ų53.738%0.38129%0.289SS..Hα-helixtrans-69.3-50.6177.7-170177.4-162.1145.21.8111.8E544 L545 V546 R550 G551 L603E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.45Å; L545-R548 PolarHBondContact O-N 2.97Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.37Å; R548-R550 VanDerWaalsContact C-N 3.31Å; R548-R550 PolarHBondContact O-N 3.28Å; R548-G551 PolarHBondContact O-N 3.43Å; R548-L603 HydrophobicContact CB-CD2 4.5Å; R548-L603 HydrophobicContact CG-CD2 4.17Å
549S87.4Confident87.8Confident0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-60.4-38.6-178.9-69.30000112.5L545 V546 G551 L552 K600 L603L545-S549 VanDerWaalsContact O-CB 3.3Å; L545-S549 WeakPolarHBondContact O-CB 3.26Å; L545-S549 PolarHBondContact O-N 3.13Å; L545-S549 PolarHBondContact O-OG 2.92Å; L545-S549 VanDerWaalsContact O-OG 3.08Å; V546-S549 PolarHBondContact O-N 3.3Å; S549-G551 VanDerWaalsContact C-N 3.3Å; S549-G551 PolarHBondContact O-N 3.47Å; S549-L552 PolarHBondContact O-N 3.28Å; S549-K600 WeakPolarHBondContact CB-O 3.46Å; S549-K600 PolarHBondContact OG-O 3.05Å; S549-L603 WeakPolarHBondContact OG-CD2 3.23Å
550R84.5Confident88.2Confident49 Ų4954.2 Ų54.219%0.18528%0.283CS..Hα-helixtrans-61.8-36.2178.2-176.7-177.2177.6-143.42.3112.8T340 C373 G410 V546 R548 L552T340-R550 PolarHBondContact O-NE 2.82Å; T340-R550 WeakPolarHBondContact OG1-CD 3.36Å; T340-R550 PolarHBondContact OG1-NE 3.38Å; C373-R550 PolarHBondContact SG-NH1 2.75Å; G410-R550 PolarHBondContact O-NH2 3.23Å; V546-R550 VanDerWaalsContact O-CB 3.28Å; V546-R550 WeakPolarHBondContact O-CB 3.3Å; V546-R550 PolarHBondContact O-N 2.95Å; R548-R550 VanDerWaalsContact C-N 3.31Å; R548-R550 PolarHBondContact O-N 3.28Å; R550-L552 VanDerWaalsContact C-N 3.28Å; R550-L552 PolarHBondContact O-N 2.67Å
551G81Confident88.6Confident60 Ų6050.6 Ų50.662%0.61927%0.265SS*.THydrogen-bonded Turntrans-76.5-9.2-178.800000114.7R548 S549R548-G551 PolarHBondContact O-N 3.43Å; S549-G551 VanDerWaalsContact C-N 3.3Å; S549-G551 PolarHBondContact O-N 3.47Å
552L86.5Confident88.8Confident38 Ų3854.1 Ų54.120%0.19928%0.28CS..  trans-74.4129.7-179.2-65.1175.2000111.2S549 R550 V554 K600 L603 T605S549-L552 PolarHBondContact O-N 3.28Å; R550-L552 VanDerWaalsContact C-N 3.28Å; R550-L552 PolarHBondContact O-N 2.67Å; L552-V554 HydrophobicContact CB-CG2 4.39Å; L552-K600 HydrophobicContact CB-CG 4.27Å; L552-K600 WeakPolarHBondContact O-CE 3.36Å; L552-L603 HydrophobicContact CD1-CD2 4.43Å; L552-T605 HydrophobicContact CD2-CG2 4.38Å
553Q86.4Confident89Confident138 Ų13854.2 Ų54.265%0.64528%0.281SS*.  trans-87.3130.3165.5-65.4-66.7-13.400108.3R341R341-Q553 VanDerWaalsContact NH2-CD 3.28Å
554V89.3Confident89.3Confident22 Ų2251.4 Ų51.413%0.13327%0.268CS..  trans-124.4138.3-171.2177.40000110.4L552 C599 K600 T605 V607L552-V554 HydrophobicContact CB-CG2 4.39Å; V554-C599 HydrophobicContact CG1-CB 4.18Å; V554-K600 HydrophobicContact CG2-CD 4.25Å; V554-K600 HydrophobicContact CG2-CG 3.38Å; V554-T605 CarbonylContact C-O 3.47Å; V554-T605 VanDerWaalsContact CA-O 3.31Å; V554-T605 WeakPolarHBondContact CA-O 3.32Å; V554-V607 HydrophobicContact CG1-CG2 3.29Å
555E91.8Very high89.6Confident155 Ų15550.7 Ų50.772%0.72426%0.264SS*.EExtended strand (participates in β ladder)trans-111.9135.5177-64.1179.1179.200110.9T605 K606 V607E555-T605 PolarHBondContact N-O 3.44Å; E555-K606 WeakPolarHBondContact O-CA 3.45Å; E555-V607 PolarHBondContact O-N 3.31Å
556L91.8Very high89.8Confident54 Ų5450.4 Ų50.428%0.28326%0.263SS..EExtended strand (participates in β ladder)trans-80.1123.8179.5-170.967.8000110.6A560 K561 I564 V607L556-A560 HydrophobicContact CD1-CB 3.81Å; L556-A560 HydrophobicContact CG-CB 4.47Å; L556-K561 HydrophobicContact CD2-CB 3.68Å; L556-K561 HydrophobicContact CD2-CD 4.49Å; L556-K561 HydrophobicContact CD2-CG 3.91Å; L556-K561 HydrophobicContact CG-CB 4.08Å; L556-I564 HydrophobicContact CD1-CD1 4.15Å; L556-V607 HydrophobicContact CD1-CB 3.81Å; L556-V607 HydrophobicContact CD1-CG1 3.76Å; L556-V607 HydrophobicContact CD1-CG2 4.08Å
557S94.8Very high89.9Confident5 Ų550.5 Ų50.54%0.03526%0.262CS..  trans-70.1154.1174.192.20000111.9E559 A560 K561 V607S557-E559 VanDerWaalsContact CB-OE2 3.22Å; S557-E559 WeakPolarHBondContact CB-OE2 3.26Å; S557-E559 PolarHBondContact O-N 2.98Å; S557-E559 PolarHBondContact OG-N 3.07Å; S557-E559 PolarHBondContact OG-OE2 3.38Å; S557-A560 PolarHBondContact O-N 2.93Å; S557-A560 PolarHBondContact OG-N 3.11Å; S557-K561 WeakPolarHBondContact O-CB 3.31Å; S557-K561 PolarHBondContact O-N 3.34Å; S557-V607 WeakPolarHBondContact CB-O 3.21Å; S557-V607 PolarHBondContact N-O 2.93Å; S557-V607 PolarHBondContact OG-O 3.33Å
558P92.6Very high90.2Very high88 Ų8848.9 Ų48.957%0.57125%0.247SC*.Hα-helixtrans-62.3-32.9178.223.8-31.8000112.5K562P558-K562 VanDerWaalsContact O-CB 3.31Å; P558-K562 WeakPolarHBondContact O-CB 3.31Å; P558-K562 PolarHBondContact O-N 2.88Å
559E92.1Very high90.4Very high100 Ų10046.5 Ų46.547%0.46724%0.241SC..Hα-helixtrans-66.3-48.1176.6-54.776.8-164.400111.1S557 K561 K562 L563S557-E559 VanDerWaalsContact CB-OE2 3.22Å; S557-E559 WeakPolarHBondContact CB-OE2 3.26Å; S557-E559 PolarHBondContact O-N 2.98Å; S557-E559 PolarHBondContact OG-N 3.07Å; S557-E559 PolarHBondContact OG-OE2 3.38Å; E559-K561 PolarHBondContact O-N 2.93Å; E559-K562 WeakPolarHBondContact O-CB 3.45Å; E559-K562 PolarHBondContact O-N 3.21Å; E559-L563 PolarHBondContact O-N 2.75Å
560A93.5Very high90.4Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-62-43.3175.700000111.5L556 S557 K562 L563 I564 V607 A612L556-A560 HydrophobicContact CD1-CB 3.81Å; L556-A560 HydrophobicContact CG-CB 4.47Å; S557-A560 PolarHBondContact O-N 2.93Å; S557-A560 PolarHBondContact OG-N 3.11Å; A560-K562 PolarHBondContact O-N 2.8Å; A560-L563 PolarHBondContact O-N 3.48Å; A560-I564 WeakPolarHBondContact O-CG1 3.39Å; A560-I564 PolarHBondContact O-N 3.03Å; A560-V607 HydrophobicContact CB-CG1 4.07Å; A560-A612 HydrophobicContact CB-CB 4.35Å
561K93Very high90.5Very high71 Ų7144.2 Ų44.231%0.30923%0.233SC..Hα-helixtrans-58-48.6175.1-170.5177.9-179-177.10110.9L556 S557 E559 L563 I564 H565 I680L556-K561 HydrophobicContact CD2-CB 3.68Å; L556-K561 HydrophobicContact CD2-CD 4.49Å; L556-K561 HydrophobicContact CD2-CG 3.91Å; L556-K561 HydrophobicContact CG-CB 4.08Å; S557-K561 WeakPolarHBondContact O-CB 3.31Å; S557-K561 PolarHBondContact O-N 3.34Å; E559-K561 PolarHBondContact O-N 2.93Å; K561-L563 VanDerWaalsContact C-N 3.34Å; K561-L563 PolarHBondContact O-N 3.22Å; K561-I564 PolarHBondContact O-N 2.87Å; K561-H565 VanDerWaalsContact CG-CD2 3.5Å; K561-H565 WeakPolarHBondContact CG-CD2 2.9Å; K561-H565 WeakPolarHBondContact O-CB 3.48Å; K561-H565 PolarHBondContact O-CD2 3.49Å; K561-H565 PolarHBondContact O-N 2.79Å; K561-I680 HydrophobicContact CD-CG2 4.31Å
562K91.1Very high90.6Very high86 Ų8647.2 Ų47.237%0.37423%0.225SC..Hα-helixtrans-58.2-44.7177.9178.4-175.4173.4166.20111.8P558 E559 A560 G566 D677 I680P558-K562 VanDerWaalsContact O-CB 3.31Å; P558-K562 WeakPolarHBondContact O-CB 3.31Å; P558-K562 PolarHBondContact O-N 2.88Å; E559-K562 WeakPolarHBondContact O-CB 3.45Å; E559-K562 PolarHBondContact O-N 3.21Å; A560-K562 PolarHBondContact O-N 2.8Å; K562-G566 WeakPolarHBondContact O-CA 3.5Å; K562-G566 PolarHBondContact O-N 2.85Å; K562-D677 WeakPolarHBondContact CD-OD1 3.47Å; K562-D677 WeakPolarHBondContact CE-OD1 3.35Å; K562-D677 VanDerWaalsContact CE-OD2 3.3Å; K562-D677 WeakPolarHBondContact CE-OD2 3.46Å; K562-D677 IonicContact NZ-OD1 2.78Å; K562-D677 PolarHBondContact NZ-OD1 3.1Å; K562-D677 IonicContact NZ-OD2 3.62Å; K562-D677 PolarHBondContact NZ-OD2 3.41Å; K562-I680 HydrophobicContact CB-CD1 3.99Å; K562-I680 HydrophobicContact CG-CD1 4.19Å
563L93.5Very high90.5Very high4 Ų449.4 Ų49.42%0.02123%0.231CC..Hα-helixtrans-65-46.8179.6-171.865.3000111.8E559 A560 K561 G566 Y567 E609 A612 V613 I665 L666E559-L563 PolarHBondContact O-N 2.75Å; A560-L563 PolarHBondContact O-N 3.48Å; K561-L563 VanDerWaalsContact C-N 3.34Å; K561-L563 PolarHBondContact O-N 3.22Å; L563-G566 PolarHBondContact O-N 3.44Å; L563-Y567 WeakPolarHBondContact O-CB 3.38Å; L563-Y567 PolarHBondContact O-N 2.91Å; L563-E609 HydrophobicContact CB-CG 4.36Å; L563-E609 HydrophobicContact CD2-CG 3.61Å; L563-A612 HydrophobicContact CB-CB 4.4Å; L563-A612 HydrophobicContact CD2-CB 3.93Å; L563-A612 HydrophobicContact CG-CB 4.48Å; L563-V613 HydrophobicContact CD2-CG2 3.95Å; L563-I665 HydrophobicContact CD1-CG2 3.87Å; L563-L666 HydrophobicContact CD1-CD2 3.68Å; L563-L666 HydrophobicContact CD1-CG 4.39Å
564I93.3Very high90.3Very high0 Ų043.1 Ų43.10%020%0.203CC..Hα-helixtrans-62.3-52180-68.8170.4000111.2L556 A560 K561 G566 Y567 Y568 I588 L591 I592 A595 A612L556-I564 HydrophobicContact CD1-CD1 4.15Å; A560-I564 WeakPolarHBondContact O-CG1 3.39Å; A560-I564 PolarHBondContact O-N 3.03Å; K561-I564 PolarHBondContact O-N 2.87Å; I564-G566 VanDerWaalsContact C-N 3.34Å; I564-G566 PolarHBondContact O-N 3.48Å; I564-Y567 PolarHBondContact O-N 2.84Å; I564-Y568 WeakPolarHBondContact O-CB 3.48Å; I564-Y568 PolarHBondContact O-N 3.19Å; I564-I588 HydrophobicContact CG2-CG1 4.09Å; I564-L591 HydrophobicContact CG2-CB 3.74Å; I564-L591 HydrophobicContact CG2-CD1 4.16Å; I564-I592 HydrophobicContact CD1-CG1 4.31Å; I564-I592 HydrophobicContact CG2-CG1 4.13Å; I564-A595 HydrophobicContact CD1-CB 4.02Å; I564-A612 HydrophobicContact CD1-CB 4.04Å; I564-A612 HydrophobicContact CG1-CB 3.7Å
565H91.7Very high89.8Confident41 Ų4142.1 Ų42.119%0.1920%0.197CC..Hα-helixtrans-64.1-41.1179-78.7-103.6000111.2K561 Y568 M569 I588K561-H565 VanDerWaalsContact CG-CD2 3.5Å; K561-H565 WeakPolarHBondContact CG-CD2 2.9Å; K561-H565 WeakPolarHBondContact O-CB 3.48Å; K561-H565 PolarHBondContact O-CD2 3.49Å; K561-H565 PolarHBondContact O-N 2.79Å; H565-Y568 PolarHBondContact O-N 3.33Å; H565-M569 WeakPolarHBondContact O-CB 3.3Å; H565-M569 WeakPolarHBondContact O-CG 3.49Å; H565-M569 PolarHBondContact O-N 2.9Å; H565-I588 VanDerWaalsContact CE1-CD1 3.48Å; H565-I588 WeakPolarHBondContact CE1-CD1 3.32Å; H565-I588 WeakPolarHBondContact ND1-CD1 3.45Å
566G91.4Very high89Confident0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-60.1-47.5176.600000112.4K562 L563 I564 M569 A570K562-G566 WeakPolarHBondContact O-CA 3.5Å; K562-G566 PolarHBondContact O-N 2.85Å; L563-G566 PolarHBondContact O-N 3.44Å; I564-G566 VanDerWaalsContact C-N 3.34Å; I564-G566 PolarHBondContact O-N 3.48Å; G566-M569 PolarHBondContact O-N 2.91Å; G566-A570 WeakPolarHBondContact O-CB 3.49Å; G566-A570 PolarHBondContact O-N 3.07Å
567Y91.9Very high87.7Confident5 Ų546.2 Ų46.22%0.0221%0.21CC..Hα-helixtrans-62.6-46.2175.8165.4-96.6000111.5L563 I564 M569 A570 S571 L591 V616 E620 L633 F668L563-Y567 WeakPolarHBondContact O-CB 3.38Å; L563-Y567 PolarHBondContact O-N 2.91Å; I564-Y567 PolarHBondContact O-N 2.84Å; Y567-M569 PolarHBondContact O-N 2.79Å; Y567-A570 PolarHBondContact O-N 2.85Å; Y567-S571 WeakPolarHBondContact O-CB 3.36Å; Y567-S571 PolarHBondContact O-N 2.81Å; Y567-L591 HydrophobicContact CD1-CD1 3.66Å; Y567-L591 HydrophobicContact CD1-CD2 4.34Å; Y567-L591 HydrophobicContact CE1-CD1 3.84Å; Y567-L591 HydrophobicContact CE1-CD2 4.2Å; Y567-V616 HydrophobicContact CD1-CG1 4.27Å; Y567-V616 HydrophobicContact CD1-CG2 3.82Å; Y567-V616 HydrophobicContact CD2-CG1 3.56Å; Y567-V616 HydrophobicContact CD2-CG2 4.3Å; Y567-V616 HydrophobicContact CE1-CG1 4.31Å; Y567-V616 HydrophobicContact CE1-CG2 4.38Å; Y567-V616 HydrophobicContact CE2-CG1 3.61Å; Y567-V616 HydrophobicContact CG-CG1 3.91Å; Y567-V616 HydrophobicContact CG-CG2 3.77Å; Y567-E620 WeakPolarHBondContact CE2-OE2 3.33Å; Y567-E620 PolarHBondContact OH-OE2 3.4Å; Y567-L633 HydrophobicContact CD2-CD2 4.38Å; Y567-L633 HydrophobicContact CE2-CD2 4.07Å; Y567-F668 HydrophobicContact CD2-CD1 4.37Å; Y567-F668 HydrophobicContact CD2-CE1 4.28Å; Y567-F668 HydrophobicContact CE2-CE1 4.49Å
568Y90.8Very high86Confident9 Ų949.7 Ų49.74%0.03523%0.234CC..Hα-helixtrans-58-47.6178.1171.1-112.8000111.7I564 H565 S571 R572 I583 L585 I588I564-Y568 WeakPolarHBondContact O-CB 3.48Å; I564-Y568 PolarHBondContact O-N 3.19Å; H565-Y568 PolarHBondContact O-N 3.33Å; Y568-S571 PolarHBondContact O-N 3.28Å; Y568-R572 VanDerWaalsContact O-CB 3.3Å; Y568-R572 WeakPolarHBondContact O-CB 3.26Å; Y568-R572 PolarHBondContact O-N 3.13Å; Y568-I583 HydrophobicContact CD2-CG2 4.03Å; Y568-I583 HydrophobicContact CE2-CB 4.4Å; Y568-I583 HydrophobicContact CE2-CG2 3.7Å; Y568-L585 HydrophobicContact CE1-CD2 4.28Å; Y568-L585 VanDerWaalsContact OH-CD2 3.26Å; Y568-L585 WeakPolarHBondContact OH-CD2 3.34Å; Y568-I588 HydrophobicContact CD1-CB 4.35Å; Y568-I588 HydrophobicContact CD1-CD1 3.94Å; Y568-I588 HydrophobicContact CD1-CG1 4.39Å; Y568-I588 HydrophobicContact CD2-CB 4.41Å; Y568-I588 HydrophobicContact CG-CB 4.24Å; Y568-I588 HydrophobicContact CG-CD1 4.34Å; Y568-I588 HydrophobicContact CG-CG1 4.33Å
569M89.3Confident84.5Confident52 Ų5249.2 Ų49.226%0.25623%0.225SC..Hα-helixtrans-62.5-45.8176.6-75.4-66106.400112.6H565 G566 Y567 R572 R573 A673H565-M569 WeakPolarHBondContact O-CB 3.3Å; H565-M569 WeakPolarHBondContact O-CG 3.49Å; H565-M569 PolarHBondContact O-N 2.9Å; G566-M569 PolarHBondContact O-N 2.91Å; Y567-M569 PolarHBondContact O-N 2.79Å; M569-R572 PolarHBondContact O-N 3.49Å; M569-R573 WeakPolarHBondContact O-CB 3.39Å; M569-R573 VanDerWaalsContact O-CG 3.32Å; M569-R573 WeakPolarHBondContact O-CG 3.43Å; M569-R573 PolarHBondContact O-N 2.86Å; M569-A673 HydrophobicContact CB-CB 4Å
570A88.1Confident83Confident0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-61.4-47.9178.500000111.3G566 Y567 R573 A574 F668 F672 A673G566-A570 WeakPolarHBondContact O-CB 3.49Å; G566-A570 PolarHBondContact O-N 3.07Å; Y567-A570 PolarHBondContact O-N 2.85Å; A570-R573 PolarHBondContact O-N 3.32Å; A570-A574 VanDerWaalsContact O-CB 3.26Å; A570-A574 WeakPolarHBondContact O-CB 3.37Å; A570-A574 PolarHBondContact O-N 3.03Å; A570-F668 HydrophobicContact CB-CD1 3.78Å; A570-F668 HydrophobicContact CB-CE1 3.46Å; A570-F668 VanDerWaalsContact CB-CE1 3.46Å; A570-F668 HydrophobicContact CB-CZ 4.17Å; A570-F672 HydrophobicContact CB-CB 3.78Å; A570-A673 HydrophobicContact CB-CB 4.09Å
571S86.3Confident81.6Confident1 Ų148.5 Ų48.51%0.00724%0.239CC..Hα-helixtrans-62.2-45.1178.2-162.30000111Y567 Y568 R573 A574 R575 I583Y567-S571 WeakPolarHBondContact O-CB 3.36Å; Y567-S571 PolarHBondContact O-N 2.81Å; Y568-S571 PolarHBondContact O-N 3.28Å; S571-R573 PolarHBondContact O-N 3.26Å; S571-A574 PolarHBondContact O-N 2.98Å; S571-R575 WeakPolarHBondContact O-CB 3.47Å; S571-R575 VanDerWaalsContact O-CG 3.31Å; S571-R575 WeakPolarHBondContact O-CG 3.49Å; S571-R575 PolarHBondContact O-N 3.16Å; S571-R575 PolarHBondContact OG-NE 3.25Å; S571-I583 VanDerWaalsContact CB-CD1 3.46Å; S571-I583 WeakPolarHBondContact OG-CD1 3.48Å
572R84.6Confident80.4Confident122 Ų12254.3 Ų54.346%0.4626%0.264SS..Hα-helixtrans-59.5-46.7176.9-173.5179.3178.5-163.42111.3Y568 M569 T576Y568-R572 VanDerWaalsContact O-CB 3.3Å; Y568-R572 WeakPolarHBondContact O-CB 3.26Å; Y568-R572 PolarHBondContact O-N 3.13Å; M569-R572 PolarHBondContact O-N 3.49Å; R572-T576 WeakPolarHBondContact O-CB 3.36Å; R572-T576 PolarHBondContact O-N 3.11Å; R572-T576 PolarHBondContact O-OG1 3.17Å
573R83.8Confident79.5Confident85 Ų8551.5 Ų51.532%0.32125%0.253SS..Hα-helixtrans-67.6-46179.9-72.2171.4-179.8-171.64.1112.3M569 A570 S571 R577 F672M569-R573 WeakPolarHBondContact O-CB 3.39Å; M569-R573 VanDerWaalsContact O-CG 3.32Å; M569-R573 WeakPolarHBondContact O-CG 3.43Å; M569-R573 PolarHBondContact O-N 2.86Å; A570-R573 PolarHBondContact O-N 3.32Å; S571-R573 PolarHBondContact O-N 3.26Å; R573-R577 WeakPolarHBondContact O-CB 3.43Å; R573-R577 WeakPolarHBondContact O-CG 3.44Å; R573-R577 PolarHBondContact O-N 2.89Å; R573-F672 WeakPolarHBondContact CD-O 3.34Å; R573-F672 PolarHBondContact NH1-O 2.87Å; R573-F672 VanDerWaalsContact NH1-O 3.14Å
574A82.1Confident78.6Confident6 Ų654.6 Ų54.65%0.0528%0.275CS..Hα-helixtrans-65.3-45.6-177.500000111.6A570 S571 S578 A632 F668 F672A570-A574 VanDerWaalsContact O-CB 3.26Å; A570-A574 WeakPolarHBondContact O-CB 3.37Å; A570-A574 PolarHBondContact O-N 3.03Å; S571-A574 PolarHBondContact O-N 2.98Å; A574-S578 WeakPolarHBondContact O-CB 3.49Å; A574-S578 PolarHBondContact O-N 2.97Å; A574-S578 VanDerWaalsContact O-N 3.11Å; A574-S578 PolarHBondContact O-OG 3.48Å; A574-A632 HydrophobicContact CB-CB 3.62Å; A574-F668 HydrophobicContact CB-CE2 4.17Å; A574-F668 HydrophobicContact CB-CZ 4Å; A574-F672 HydrophobicContact CB-CD1 3.86Å; A574-F672 HydrophobicContact CB-CD2 4.43Å; A574-F672 HydrophobicContact CB-CE1 4.03Å; A574-F672 HydrophobicContact CB-CG 4.07Å; A574-F672 HydrophobicContact CB-CZ 4.4Å
575R78.5Confident77.8Confident1 Ų160 Ų600%0.00430%0.303CS..Hα-helixtrans-77-35.8-177.3-62.6-175.1-159.6-1159.2113.6S571 R577 S578 Q579 G580 E620 V623 A630 A632S571-R575 WeakPolarHBondContact O-CB 3.47Å; S571-R575 VanDerWaalsContact O-CG 3.31Å; S571-R575 WeakPolarHBondContact O-CG 3.49Å; S571-R575 PolarHBondContact O-N 3.16Å; S571-R575 PolarHBondContact OG-NE 3.25Å; R575-R577 VanDerWaalsContact C-N 3.27Å; R575-R577 PolarHBondContact O-N 2.71Å; R575-S578 PolarHBondContact O-N 3.07Å; R575-Q579 PolarHBondContact O-N 3.34Å; R575-G580 PolarHBondContact O-N 3.12Å; R575-G580 VanDerWaalsContact O-N 3.16Å; R575-E620 IonicContact CZ-OE1 3.36Å; R575-E620 IonicContact NH2-OE1 3.72Å; R575-E620 PolarHBondContact NH2-OE1 3.01Å; R575-E620 IonicContact NH2-OE2 3.29Å; R575-E620 PolarHBondContact NH2-OE2 3.05Å; R575-V623 VanDerWaalsContact CZ-CG1 3.41Å; R575-A630 PolarHBondContact NH1-O 2.8Å; R575-A632 HydrophobicContact CG-CB 3.93Å
576T74.4Confident77.2Confident79 Ų7960.9 Ų60.949%0.48532%0.318SS..Hα-helixtrans-61.4-39.6174.2-56.90000110.9R572R572-T576 WeakPolarHBondContact O-CB 3.36Å; R572-T576 PolarHBondContact O-N 3.11Å; R572-T576 PolarHBondContact O-OG1 3.17Å
577R64.3Low76.7Confident216 Ų21662.2 Ų62.282%0.81533%0.327SS*.Hα-helixtrans-75.2-35.9-179.9-74.2179.9176177.9-0.3113.9R573 R575R573-R577 WeakPolarHBondContact O-CB 3.43Å; R573-R577 WeakPolarHBondContact O-CG 3.44Å; R573-R577 PolarHBondContact O-N 2.89Å; R575-R577 VanDerWaalsContact C-N 3.27Å; R575-R577 PolarHBondContact O-N 2.71Å
578S60.8Low76.6Confident77 Ų7763 Ų6354%0.53833%0.332SS..Hα-helixtrans-95.2-32.5-171.555.60000114A574 R575A574-S578 WeakPolarHBondContact O-CB 3.49Å; A574-S578 PolarHBondContact O-N 2.97Å; A574-S578 VanDerWaalsContact O-N 3.11Å; A574-S578 PolarHBondContact O-OG 3.48Å; R575-S578 PolarHBondContact O-N 3.07Å
579Q59.6Low76.5Confident78 Ų7867.8 Ų67.836%0.36435%0.352SS..Hα-helixtrans-139.6-3-160.8-70.4156.2-1.800114.1R575 V581 A630R575-Q579 PolarHBondContact O-N 3.34Å; Q579-V581 HydrophobicContact CB-CG2 4.15Å; Q579-V581 PolarHBondContact O-N 3.12Å; Q579-V581 VanDerWaalsContact O-N 3.09Å; Q579-A630 HydrophobicContact CG-CB 4.37Å; Q579-A630 PolarHBondContact OE1-O 2.76Å
580G60.4Low76.5Confident59 Ų5966 Ų6661%0.60834%0.344SS*.  trans67.55.8179.100000115.2R575R575-G580 PolarHBondContact O-N 3.12Å; R575-G580 VanDerWaalsContact O-N 3.16Å
581V65.5Low76.7Confident26 Ų2666 Ų6616%0.15834%0.344CS..  trans-76.6125.2179.5177.70000110Q579 H627Q579-V581 HydrophobicContact CB-CG2 4.15Å; Q579-V581 PolarHBondContact O-N 3.12Å; Q579-V581 VanDerWaalsContact O-N 3.09Å; V581-H627 WeakPolarHBondContact CG1-NE2 3.35Å
582K66.3Low77Confident193 Ų19367.8 Ų67.884%0.83935%0.353SS*.  trans-91.6109.9176.8-67.7-179-178175.90109.9S584K582-S584 PolarHBondContact O-N 3.14Å
583I72.7Confident77.3Confident27 Ų2762 Ų6214%0.13833%0.331CS..  trans-73.5122.9169.4-52.7-174.7000108.6Y568 S571 S587Y568-I583 HydrophobicContact CD2-CG2 4.03Å; Y568-I583 HydrophobicContact CE2-CB 4.4Å; Y568-I583 HydrophobicContact CE2-CG2 3.7Å; S571-I583 VanDerWaalsContact CB-CD1 3.46Å; S571-I583 WeakPolarHBondContact OG-CD1 3.48Å; I583-S587 VanDerWaalsContact CG2-OG 3.29Å; I583-S587 WeakPolarHBondContact CG2-OG 3.34Å
584S74.3Confident77.8Confident70 Ų7058 Ų5849%0.4932%0.316SS..  trans-72.3149.9177.8177.50000111.7K582 A586 S587K582-S584 PolarHBondContact O-N 3.14Å; S584-A586 PolarHBondContact O-N 3.32Å; S584-A586 PolarHBondContact OG-N 3.41Å; S584-A586 VanDerWaalsContact OG-N 3.14Å; S584-S587 VanDerWaalsContact O-CB 3.23Å; S584-S587 WeakPolarHBondContact O-CB 3.04Å; S584-S587 PolarHBondContact O-N 3.24Å; S584-S587 PolarHBondContact O-OG 3.09Å
585L76.9Confident78.4Confident113 Ų11357.7 Ų57.759%0.59231%0.314SS*.THydrogen-bonded Turntrans-57.7-25168.3-72.9166.2000112Y568 S587 I588Y568-L585 HydrophobicContact CE1-CD2 4.28Å; Y568-L585 VanDerWaalsContact OH-CD2 3.26Å; Y568-L585 WeakPolarHBondContact OH-CD2 3.34Å; L585-S587 PolarHBondContact O-N 3.49Å; L585-S587 VanDerWaalsContact O-N 3.12Å; L585-I588 VanDerWaalsContact O-CG2 3.29Å; L585-I588 WeakPolarHBondContact O-CG2 3.34Å; L585-I588 PolarHBondContact O-N 3.41Å
586A78.5Confident79.1Confident60 Ų6059.2 Ų59.250%0.49632%0.321SS..Hα-helixtrans-59.5-22.5172.500000113.1S584 K589 L590S584-A586 PolarHBondContact O-N 3.32Å; S584-A586 PolarHBondContact OG-N 3.41Å; S584-A586 VanDerWaalsContact OG-N 3.14Å; A586-K589 WeakPolarHBondContact O-CB 3.37Å; A586-K589 PolarHBondContact O-N 2.84Å; A586-L590 PolarHBondContact O-N 3.28Å
587S82.8Confident80Confident27 Ų2755.4 Ų55.419%0.18930%0.297CS..Hα-helixtrans-71-31.3-179.7-40.50000112.7I583 S584 L585 L590 L591I583-S587 VanDerWaalsContact CG2-OG 3.29Å; I583-S587 WeakPolarHBondContact CG2-OG 3.34Å; S584-S587 VanDerWaalsContact O-CB 3.23Å; S584-S587 WeakPolarHBondContact O-CB 3.04Å; S584-S587 PolarHBondContact O-N 3.24Å; S584-S587 PolarHBondContact O-OG 3.09Å; L585-S587 PolarHBondContact O-N 3.49Å; L585-S587 VanDerWaalsContact O-N 3.12Å; S587-L590 PolarHBondContact O-N 3.23Å; S587-L591 WeakPolarHBondContact O-CG 3.48Å; S587-L591 PolarHBondContact O-N 2.86Å
588I88.3Confident81.4Confident23 Ų2345.2 Ų45.212%0.11826%0.259CS..Hα-helixtrans-69.7-42.1176.4-156.6174.6000110.6I564 H565 Y568 L585 L590 L591 I592I564-I588 HydrophobicContact CG2-CG1 4.09Å; H565-I588 VanDerWaalsContact CE1-CD1 3.48Å; H565-I588 WeakPolarHBondContact CE1-CD1 3.32Å; H565-I588 WeakPolarHBondContact ND1-CD1 3.45Å; Y568-I588 HydrophobicContact CD1-CB 4.35Å; Y568-I588 HydrophobicContact CD1-CD1 3.94Å; Y568-I588 HydrophobicContact CD1-CG1 4.39Å; Y568-I588 HydrophobicContact CD2-CB 4.41Å; Y568-I588 HydrophobicContact CG-CB 4.24Å; Y568-I588 HydrophobicContact CG-CD1 4.34Å; Y568-I588 HydrophobicContact CG-CG1 4.33Å; L585-I588 VanDerWaalsContact O-CG2 3.29Å; L585-I588 WeakPolarHBondContact O-CG2 3.34Å; L585-I588 PolarHBondContact O-N 3.41Å; I588-L590 VanDerWaalsContact C-N 3.34Å; I588-L590 PolarHBondContact O-N 2.98Å; I588-L591 PolarHBondContact O-N 2.54Å; I588-I592 HydrophobicContact CG1-CD1 4.48Å; I588-I592 WeakPolarHBondContact O-CG1 3.39Å; I588-I592 PolarHBondContact O-N 2.97Å
589K88.5Confident83Confident109 Ų10941.5 Ų41.547%0.47423%0.233SC..Hα-helixtrans-57.6-47173.6-81.4-167.3178.2-160.50110.8P347 A586 L591 I592 S593P347-K589 HydrophobicContact CB-CB 3.82Å; P347-K589 HydrophobicContact CG-CB 3.54Å; P347-K589 HydrophobicContact CG-CD 4.31Å; P347-K589 HydrophobicContact CG-CG 4.09Å; P347-K589 WeakPolarHBondContact CG-O 3.09Å; A586-K589 WeakPolarHBondContact O-CB 3.37Å; A586-K589 PolarHBondContact O-N 2.84Å; K589-L591 PolarHBondContact O-N 2.77Å; K589-I592 PolarHBondContact O-N 3.02Å; K589-S593 PolarHBondContact O-N 2.9Å; K589-S593 PolarHBondContact O-OG 2.91Å
590L89.6Confident84.6Confident14 Ų1437.9 Ų37.97%0.07322%0.216CC..Hα-helixtrans-57.1-46.7174.1176.464.1000112.9L349 G498 L499 A586 S587 I588 I592 S593 L594L349-L590 HydrophobicContact CD2-CD1 3.36Å; G498-L590 WeakPolarHBondContact O-CD2 3.47Å; L499-L590 HydrophobicContact CG-CD1 4.32Å; A586-L590 PolarHBondContact O-N 3.28Å; S587-L590 PolarHBondContact O-N 3.23Å; I588-L590 VanDerWaalsContact C-N 3.34Å; I588-L590 PolarHBondContact O-N 2.98Å; L590-I592 PolarHBondContact O-N 3.38Å; L590-S593 PolarHBondContact O-N 3.43Å; L590-L594 HydrophobicContact CD1-CD1 4.18Å; L590-L594 HydrophobicContact CD1-CG 4.3Å; L590-L594 HydrophobicContact CG-CD1 4.05Å; L590-L594 WeakPolarHBondContact O-CB 3.36Å; L590-L594 WeakPolarHBondContact O-CG 3.26Å; L590-L594 PolarHBondContact O-N 2.92Å
591L92.6Very high86.1Confident1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-61.7-43.3179-74163.7000112.1I564 Y567 S587 I588 K589 L594 A595 A615 V616 C619I564-L591 HydrophobicContact CG2-CB 3.74Å; I564-L591 HydrophobicContact CG2-CD1 4.16Å; Y567-L591 HydrophobicContact CD1-CD1 3.66Å; Y567-L591 HydrophobicContact CD1-CD2 4.34Å; Y567-L591 HydrophobicContact CE1-CD1 3.84Å; Y567-L591 HydrophobicContact CE1-CD2 4.2Å; S587-L591 WeakPolarHBondContact O-CG 3.48Å; S587-L591 PolarHBondContact O-N 2.86Å; I588-L591 PolarHBondContact O-N 2.54Å; K589-L591 PolarHBondContact O-N 2.77Å; L591-L594 PolarHBondContact O-N 3.3Å; L591-A595 WeakPolarHBondContact O-CB 3.17Å; L591-A595 PolarHBondContact O-N 2.89Å; L591-A615 HydrophobicContact CD2-CB 4.35Å; L591-V616 HydrophobicContact CD2-CG2 4.15Å; L591-C619 HydrophobicContact CD2-CB 3.58Å; L591-C619 HydrophobicContact CG-CB 4.46Å
592I92.1Very high87.3Confident38 Ų3834.4 Ų34.420%0.19518%0.184CC..Hα-helixtrans-61.8-49.6176.7-66.9168.2000109.7I564 I588 K589 L590 L594 A595 E596I564-I592 HydrophobicContact CD1-CG1 4.31Å; I564-I592 HydrophobicContact CG2-CG1 4.13Å; I588-I592 HydrophobicContact CG1-CD1 4.48Å; I588-I592 WeakPolarHBondContact O-CG1 3.39Å; I588-I592 PolarHBondContact O-N 2.97Å; K589-I592 PolarHBondContact O-N 3.02Å; L590-I592 PolarHBondContact O-N 3.38Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 3.37Å; I592-A595 PolarHBondContact O-N 3.49Å; I592-A595 VanDerWaalsContact O-N 3.16Å; I592-E596 HydrophobicContact CG2-CG 4.31Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.11Å; I592-E596 WeakPolarHBondContact O-CB 3.43Å; I592-E596 WeakPolarHBondContact O-CG 3.48Å; I592-E596 PolarHBondContact O-N 2.7Å
593S91.9Very high88.5Confident0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-63.2-34.2178.9-69.20000114P347 K589 L590 A597P347-S593 WeakPolarHBondContact CB-OG 3.36Å; P347-S593 WeakPolarHBondContact CD-OG 3.07Å; P347-S593 WeakPolarHBondContact CG-OG 3.44Å; P347-S593 PolarHBondContact O-OG 2.86Å; K589-S593 PolarHBondContact O-N 2.9Å; K589-S593 PolarHBondContact O-OG 2.91Å; L590-S593 PolarHBondContact O-N 3.43Å; S593-A597 WeakPolarHBondContact O-CB 3.34Å; S593-A597 PolarHBondContact O-N 3.07Å
594L93.8Very high89.3Confident1 Ų128.4 Ų28.41%0.00516%0.157CC..Hα-helixtrans-65.2-45.3172.9-81.7170.1000112L335 L349 L499 L590 L591 I592 A597 H598 A615 L618L335-L594 HydrophobicContact CD1-CD2 4.06Å; L349-L594 HydrophobicContact CD1-CD2 4.35Å; L349-L594 HydrophobicContact CD2-CD2 4.26Å; L349-L594 HydrophobicContact CD2-CG 4.11Å; L499-L594 HydrophobicContact CD1-CD1 4.42Å; L499-L594 HydrophobicContact CD1-CD2 3.72Å; L499-L594 HydrophobicContact CD1-CG 4.46Å; L499-L594 HydrophobicContact CD2-CD1 4.03Å; L590-L594 HydrophobicContact CD1-CD1 4.18Å; L590-L594 HydrophobicContact CD1-CG 4.3Å; L590-L594 HydrophobicContact CG-CD1 4.05Å; L590-L594 WeakPolarHBondContact O-CB 3.36Å; L590-L594 WeakPolarHBondContact O-CG 3.26Å; L590-L594 PolarHBondContact O-N 2.92Å; L591-L594 PolarHBondContact O-N 3.3Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 3.37Å; L594-A597 PolarHBondContact O-N 2.86Å; L594-H598 WeakPolarHBondContact O-CB 3.42Å; L594-H598 PolarHBondContact O-N 3.29Å; L594-A615 HydrophobicContact CB-CB 3.59Å; L594-L618 HydrophobicContact CD2-CD1 4.2Å
595A94.8Very high90.2Very high0 Ų029.1 Ų29.10%016%0.158CC..Hα-helixtrans-67.1-41.1179.300000111.5I564 L591 I592 H598 C599 V607 D611 A615I564-A595 HydrophobicContact CD1-CB 4.02Å; L591-A595 WeakPolarHBondContact O-CB 3.17Å; L591-A595 PolarHBondContact O-N 2.89Å; I592-A595 PolarHBondContact O-N 3.49Å; I592-A595 VanDerWaalsContact O-N 3.16Å; A595-H598 PolarHBondContact O-N 3.18Å; A595-C599 WeakPolarHBondContact O-CB 3.44Å; A595-C599 PolarHBondContact O-N 3.19Å; A595-V607 HydrophobicContact CB-CG1 3.81Å; A595-D611 HydrophobicContact CB-CB 4.29Å; A595-A615 HydrophobicContact CB-CB 4.1Å
596E93.4Very high91Very high32 Ų3229.4 Ų29.415%0.1515%0.154CC..Hα-helixtrans-61.5-47.6172-74176.3178.300111.9Q339 I592 H598 C599 K600 V607Q339-E596 PolarHBondContact NE2-OE2 2.79Å; I592-E596 HydrophobicContact CG2-CG 4.31Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.11Å; I592-E596 WeakPolarHBondContact O-CB 3.43Å; I592-E596 WeakPolarHBondContact O-CG 3.48Å; I592-E596 PolarHBondContact O-N 2.7Å; E596-H598 VanDerWaalsContact C-N 3.26Å; E596-H598 PolarHBondContact O-N 3.16Å; E596-C599 WeakPolarHBondContact O-CB 3.16Å; E596-C599 PolarHBondContact O-N 2.89Å; E596-K600 WeakPolarHBondContact O-CB 3.3Å; E596-K600 VanDerWaalsContact O-CG 3.31Å; E596-K600 WeakPolarHBondContact O-CG 3.2Å; E596-K600 PolarHBondContact O-N 3.38Å; E596-V607 HydrophobicContact CG-CG2 4.22Å
597A93.2Very high91.8Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-59.8-39.9178.100000111.5L335 Q339 L349 S593 L594 L601L335-A597 HydrophobicContact CB-CB 3.96Å; L335-A597 HydrophobicContact CD2-CB 3.88Å; L335-A597 HydrophobicContact CG-CB 4.49Å; Q339-A597 HydrophobicContact CB-CB 4.05Å; L349-A597 HydrophobicContact CD1-CB 4.26Å; S593-A597 WeakPolarHBondContact O-CB 3.34Å; S593-A597 PolarHBondContact O-N 3.07Å; L594-A597 PolarHBondContact O-N 2.86Å; A597-L601 VanDerWaalsContact O-CB 3.28Å; A597-L601 WeakPolarHBondContact O-CB 3.41Å; A597-L601 PolarHBondContact O-N 2.9Å
598H94.6Very high92.3Very high1 Ų127.1 Ų27.11%0.00513%0.133CC..Hα-helixtrans-66.9-44.5177.7-172.4-91.1000111.2P309 L335 L594 A595 E596 L601 C602 D611P309-H598 VanDerWaalsContact CG-NE2 3.32Å; P309-H598 WeakPolarHBondContact CG-NE2 3.12Å; L335-H598 VanDerWaalsContact CD2-CA 3.43Å; L335-H598 HydrophobicContact CD2-CB 3.88Å; L594-H598 WeakPolarHBondContact O-CB 3.42Å; L594-H598 PolarHBondContact O-N 3.29Å; A595-H598 PolarHBondContact O-N 3.18Å; E596-H598 VanDerWaalsContact C-N 3.26Å; E596-H598 PolarHBondContact O-N 3.16Å; H598-L601 PolarHBondContact O-N 2.94Å; H598-C602 PolarHBondContact O-N 2.85Å; H598-C602 PolarHBondContact O-SG 2.98Å; H598-D611 IonicContact CE1-OD1 2.7Å; H598-D611 PolarHBondContact CE1-OD1 2.93Å; H598-D611 IonicContact CG-OD1 2.68Å; H598-D611 IonicContact ND1-OD1 3.48Å; H598-D611 PolarHBondContact ND1-OD1 3.48Å
599C93.9Very high92.6Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-59.6-46.9174.4178.50000112.4V554 A595 E596 L601 C602 L603 R604 K606 V607V554-C599 HydrophobicContact CG1-CB 4.18Å; A595-C599 WeakPolarHBondContact O-CB 3.44Å; A595-C599 PolarHBondContact O-N 3.19Å; E596-C599 WeakPolarHBondContact O-CB 3.16Å; E596-C599 PolarHBondContact O-N 2.89Å; C599-L601 PolarHBondContact O-N 2.6Å; C599-C602 CarbonylContact O-C 3.11Å; C599-C602 WeakPolarHBondContact O-CA 3.43Å; C599-C602 WeakPolarHBondContact O-CB 3.33Å; C599-C602 PolarHBondContact O-N 2.86Å; C599-C602 VanDerWaalsContact O-N 3.16Å; C599-L603 PolarHBondContact O-N 3.43Å; C599-R604 PolarHBondContact O-N 2.73Å; C599-R604 VanDerWaalsContact SG-CB 3.6Å; C599-R604 PolarHBondContact SG-O 3.24Å; C599-K606 PolarHBondContact SG-O 2.79Å; C599-V607 HydrophobicContact CB-CB 4.48Å; C599-V607 HydrophobicContact CB-CG2 4.04Å
600K92.1Very high92.8Very high1 Ų126.3 Ų26.30%0.00413%0.131CC..Hα-helixtrans-62.3-41.3176.1-71.8178-173.6165.40112V338 S549 L552 V554 E596 C602 L603V338-K600 HydrophobicContact CG1-CB 3.31Å; V338-K600 HydrophobicContact CG1-CD 3.83Å; V338-K600 HydrophobicContact CG1-CG 4.2Å; S549-K600 WeakPolarHBondContact CB-O 3.46Å; S549-K600 PolarHBondContact OG-O 3.05Å; L552-K600 HydrophobicContact CB-CG 4.27Å; L552-K600 WeakPolarHBondContact O-CE 3.36Å; V554-K600 HydrophobicContact CG2-CD 4.25Å; V554-K600 HydrophobicContact CG2-CG 3.38Å; E596-K600 WeakPolarHBondContact O-CB 3.3Å; E596-K600 VanDerWaalsContact O-CG 3.31Å; E596-K600 WeakPolarHBondContact O-CG 3.2Å; E596-K600 PolarHBondContact O-N 3.38Å; K600-C602 VanDerWaalsContact C-N 3.27Å; K600-C602 PolarHBondContact O-N 3.11Å; K600-L603 WeakPolarHBondContact O-CA 3.34Å; K600-L603 PolarHBondContact O-N 2.81Å
601L92.6Very high93.1Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-60.9-40175.3-177.864.2000110.4F308 P309 L331 L334 L335 V338 L545 A597 H598 C599 L603F308-L601 VanDerWaalsContact CE1-O 3.25Å; F308-L601 WeakPolarHBondContact CE1-O 3.37Å; P309-L601 HydrophobicContact CB-CD2 3.93Å; P309-L601 HydrophobicContact CB-CG 4.46Å; L331-L601 HydrophobicContact CD1-CD2 3.85Å; L334-L601 HydrophobicContact CB-CD1 4.29Å; L334-L601 HydrophobicContact CB-CD2 4.15Å; L335-L601 HydrophobicContact CD2-CB 4.46Å; L335-L601 HydrophobicContact CD2-CD2 4.1Å; V338-L601 HydrophobicContact CG2-CD1 4.25Å; L545-L601 HydrophobicContact CD2-CD1 4.13Å; A597-L601 VanDerWaalsContact O-CB 3.28Å; A597-L601 WeakPolarHBondContact O-CB 3.41Å; A597-L601 PolarHBondContact O-N 2.9Å; H598-L601 PolarHBondContact O-N 2.94Å; C599-L601 PolarHBondContact O-N 2.6Å; L601-L603 PolarHBondContact O-N 3.49Å; L601-L603 VanDerWaalsContact O-N 3.14Å
602C91.5Very high93.3Very high13 Ų1325.6 Ų25.69%0.08813%0.127CC..THydrogen-bonded Turntrans-72.87.8172.7-61.50000114.6P309 H598 C599 K600 R604P309-C602 VanDerWaalsContact CD-SG 3.53Å; P309-C602 VanDerWaalsContact CG-SG 3.56Å; H598-C602 PolarHBondContact O-N 2.85Å; H598-C602 PolarHBondContact O-SG 2.98Å; C599-C602 CarbonylContact O-C 3.11Å; C599-C602 WeakPolarHBondContact O-CA 3.43Å; C599-C602 WeakPolarHBondContact O-CB 3.33Å; C599-C602 PolarHBondContact O-N 2.86Å; C599-C602 VanDerWaalsContact O-N 3.16Å; K600-C602 VanDerWaalsContact C-N 3.27Å; K600-C602 PolarHBondContact O-N 3.11Å; C602-R604 HydrophobicContact CB-CG 4.48Å; C602-R604 PolarHBondContact O-N 3.39Å
603L90Very high93.4Very high35 Ų3523.8 Ų23.818%0.18312%0.118CC..THydrogen-bonded Turntrans58.230-178.9-58.6174.4000113.8L295 L545 R548 S549 L552 C599 K600 L601L295-L603 HydrophobicContact CD2-CD1 3.89Å; L545-L603 HydrophobicContact CD1-CD1 4.12Å; L545-L603 HydrophobicContact CD1-CD2 3.98Å; L545-L603 HydrophobicContact CD1-CG 4.11Å; R548-L603 HydrophobicContact CB-CD2 4.5Å; R548-L603 HydrophobicContact CG-CD2 4.17Å; S549-L603 WeakPolarHBondContact OG-CD2 3.23Å; L552-L603 HydrophobicContact CD1-CD2 4.43Å; C599-L603 PolarHBondContact O-N 3.43Å; K600-L603 WeakPolarHBondContact O-CA 3.34Å; K600-L603 PolarHBondContact O-N 2.81Å; L601-L603 PolarHBondContact O-N 3.49Å; L601-L603 VanDerWaalsContact O-N 3.14Å
604R90.6Very high93.6Very high59 Ų5923.9 Ų23.922%0.22312%0.118CC..  trans-105.6158.5177.8-71.2-173.5-72.9105.5-2.6111.9C599 C602 K606 D611C599-R604 PolarHBondContact O-N 2.73Å; C599-R604 VanDerWaalsContact SG-CB 3.6Å; C599-R604 PolarHBondContact SG-O 3.24Å; C602-R604 HydrophobicContact CB-CG 4.48Å; C602-R604 PolarHBondContact O-N 3.39Å; R604-K606 PolarHBondContact NH1-O 3.16Å; R604-D611 IonicContact CZ-OD1 3.85Å; R604-D611 IonicContact CZ-OD2 3.63Å; R604-D611 IonicContact NH1-OD1 3.7Å; R604-D611 IonicContact NH1-OD2 3.75Å; R604-D611 PolarHBondContact NH1-OD2 3.39Å; R604-D611 VanDerWaalsContact NH2-CG 3.26Å; R604-D611 IonicContact NH2-OD1 2.99Å; R604-D611 PolarHBondContact NH2-OD1 3.4Å; R604-D611 IonicContact NH2-OD2 2.67Å; R604-D611 PolarHBondContact NH2-OD2 2.92Å; R604-D611 VanDerWaalsContact NH2-OD2 3.07Å
605T91.9Very high93.6Very high85 Ų8523.9 Ų23.952%0.52112%0.118SC..SBendtrans-108.5-4.8177.554.90000113.7L552 V554 E555L552-T605 HydrophobicContact CD2-CG2 4.38Å; V554-T605 CarbonylContact C-O 3.47Å; V554-T605 VanDerWaalsContact CA-O 3.31Å; V554-T605 WeakPolarHBondContact CA-O 3.32Å; E555-T605 PolarHBondContact N-O 3.44Å
606K94.1Very high93.6Very high118 Ų11823.9 Ų23.951%0.51312%0.118SC..EExtended strand (participates in β ladder)trans-126.5118.7178.8-173.9176.7179.1-178.50109.9E555 C599 R604E555-K606 WeakPolarHBondContact O-CA 3.45Å; C599-K606 PolarHBondContact SG-O 2.79Å; R604-K606 PolarHBondContact NH1-O 3.16Å
607V94.6Very high93.6Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-69.8129.8174.9-171.60000108.6V554 E555 L556 S557 A560 A595 E596 C599 D611V554-V607 HydrophobicContact CG1-CG2 3.29Å; E555-V607 PolarHBondContact O-N 3.31Å; L556-V607 HydrophobicContact CD1-CB 3.81Å; L556-V607 HydrophobicContact CD1-CG1 3.76Å; L556-V607 HydrophobicContact CD1-CG2 4.08Å; S557-V607 WeakPolarHBondContact CB-O 3.21Å; S557-V607 PolarHBondContact N-O 2.93Å; S557-V607 PolarHBondContact OG-O 3.33Å; A560-V607 HydrophobicContact CB-CG1 4.07Å; A595-V607 HydrophobicContact CB-CG1 3.81Å; E596-V607 HydrophobicContact CG-CG2 4.22Å; C599-V607 HydrophobicContact CB-CB 4.48Å; C599-V607 HydrophobicContact CB-CG2 4.04Å; V607-D611 WeakPolarHBondContact CA-OD2 3.21Å; V607-D611 HydrophobicContact CG1-CB 3.66Å
608V94.4Very high93.5Very high40 Ų4022.6 Ų22.624%0.24211%0.112CC..  trans-109.3171.8177.5-62.10000111E610 D611 A612V608-E610 WeakPolarHBondContact CB-OE2 3.3Å; V608-E610 HydrophobicContact CG2-CB 4.07Å; V608-E610 WeakPolarHBondContact CG2-OE2 3.28Å; V608-E610 PolarHBondContact O-N 2.85Å; V608-D611 WeakPolarHBondContact CG2-OD2 3.42Å; V608-D611 PolarHBondContact N-OD2 2.83Å; V608-D611 WeakPolarHBondContact O-CB 3.43Å; V608-D611 PolarHBondContact O-N 3.15Å; V608-D611 VanDerWaalsContact O-N 3.12Å; V608-A612 PolarHBondContact O-N 3.37Å
609E94.3Very high93.3Very high50 Ų5022.8 Ų22.823%0.23411%0.114CC..Hα-helixtrans-60.9-34.2-177-169.4173.7175.600111.9L563 D611 A612 V613 H662L563-E609 HydrophobicContact CB-CG 4.36Å; L563-E609 HydrophobicContact CD2-CG 3.61Å; E609-D611 VanDerWaalsContact C-N 3.27Å; E609-D611 PolarHBondContact O-N 3.31Å; E609-A612 WeakPolarHBondContact O-CA 3.42Å; E609-A612 WeakPolarHBondContact O-CB 3.45Å; E609-A612 PolarHBondContact O-N 3.13Å; E609-V613 PolarHBondContact O-N 2.83Å; E609-H662 VanDerWaalsContact CD-NE2 3.26Å; E609-H662 IonicContact OE1-CD2 3.07Å; E609-H662 IonicContact OE1-CE1 3.4Å; E609-H662 PolarHBondContact OE1-CE1 3.13Å; E609-H662 IonicContact OE1-NE2 3.78Å; E609-H662 PolarHBondContact OE1-NE2 2.66Å
610E93.6Very high93.1Very high65 Ų6522.8 Ų22.830%0.30411%0.114SC..Hα-helixtrans-62.9-31.1177.7-62.990.1163.500112.8P305 W306 V608 I614P305-E610 HydrophobicContact CB-CB 4.26Å; P305-E610 HydrophobicContact CG-CB 3.51Å; P305-E610 HydrophobicContact CG-CG 3.55Å; W306-E610 HydrophobicContact CZ2-CB 3.97Å; W306-E610 HydrophobicContact CZ2-CG 3.88Å; W306-E610 PolarHBondContact NE1-O 3.38Å; V608-E610 WeakPolarHBondContact CB-OE2 3.3Å; V608-E610 HydrophobicContact CG2-CB 4.07Å; V608-E610 WeakPolarHBondContact CG2-OE2 3.28Å; V608-E610 PolarHBondContact O-N 2.85Å; E610-I614 PolarHBondContact O-N 3.18Å
611D95.3Very high92.8Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-69.8-40.4173.2-62.2-43.6000110.9A595 H598 R604 V607 V608 E609 V613 I614 A615A595-D611 HydrophobicContact CB-CB 4.29Å; H598-D611 IonicContact CE1-OD1 2.7Å; H598-D611 PolarHBondContact CE1-OD1 2.93Å; H598-D611 IonicContact CG-OD1 2.68Å; H598-D611 IonicContact ND1-OD1 3.48Å; H598-D611 PolarHBondContact ND1-OD1 3.48Å; R604-D611 IonicContact CZ-OD1 3.85Å; R604-D611 IonicContact CZ-OD2 3.63Å; R604-D611 IonicContact NH1-OD1 3.7Å; R604-D611 IonicContact NH1-OD2 3.75Å; R604-D611 PolarHBondContact NH1-OD2 3.39Å; R604-D611 VanDerWaalsContact NH2-CG 3.26Å; R604-D611 IonicContact NH2-OD1 2.99Å; R604-D611 PolarHBondContact NH2-OD1 3.4Å; R604-D611 IonicContact NH2-OD2 2.67Å; R604-D611 PolarHBondContact NH2-OD2 2.92Å; R604-D611 VanDerWaalsContact NH2-OD2 3.07Å; V607-D611 WeakPolarHBondContact CA-OD2 3.21Å; V607-D611 HydrophobicContact CG1-CB 3.66Å; V608-D611 WeakPolarHBondContact CG2-OD2 3.42Å; V608-D611 PolarHBondContact N-OD2 2.83Å; V608-D611 WeakPolarHBondContact O-CB 3.43Å; V608-D611 PolarHBondContact O-N 3.15Å; V608-D611 VanDerWaalsContact O-N 3.12Å; E609-D611 VanDerWaalsContact C-N 3.27Å; E609-D611 PolarHBondContact O-N 3.31Å; D611-V613 VanDerWaalsContact C-N 3.3Å; D611-V613 PolarHBondContact O-N 2.99Å; D611-I614 PolarHBondContact O-N 3.3Å; D611-A615 PolarHBondContact O-N 3.44Å; D611-A615 VanDerWaalsContact O-N 3.1Å
612A95.6Very high92.5Very high0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-65.9-33.6176.800000111.7A560 L563 I564 V608 E609 A615 V616A560-A612 HydrophobicContact CB-CB 4.35Å; L563-A612 HydrophobicContact CB-CB 4.4Å; L563-A612 HydrophobicContact CD2-CB 3.93Å; L563-A612 HydrophobicContact CG-CB 4.48Å; I564-A612 HydrophobicContact CD1-CB 4.04Å; I564-A612 HydrophobicContact CG1-CB 3.7Å; V608-A612 PolarHBondContact O-N 3.37Å; E609-A612 WeakPolarHBondContact O-CA 3.42Å; E609-A612 WeakPolarHBondContact O-CB 3.45Å; E609-A612 PolarHBondContact O-N 3.13Å; A612-A615 PolarHBondContact O-N 3.38Å; A612-V616 WeakPolarHBondContact O-CB 3.33Å; A612-V616 VanDerWaalsContact O-CG2 3.28Å; A612-V616 WeakPolarHBondContact O-CG2 3.43Å; A612-V616 PolarHBondContact O-N 2.92Å
613V95.3Very high92.1Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-58-52.8172.2173.20000110.5W306 L563 E609 D611 A615 V616 L617 H662 I665W306-V613 HydrophobicContact CZ2-CG1 4.45Å; L563-V613 HydrophobicContact CD2-CG2 3.95Å; E609-V613 PolarHBondContact O-N 2.83Å; D611-V613 VanDerWaalsContact C-N 3.3Å; D611-V613 PolarHBondContact O-N 2.99Å; V613-A615 VanDerWaalsContact C-N 3.31Å; V613-A615 PolarHBondContact O-N 3.12Å; V613-V616 PolarHBondContact O-N 3.12Å; V613-V616 VanDerWaalsContact O-N 3.15Å; V613-L617 HydrophobicContact CG1-CD1 4.03Å; V613-L617 HydrophobicContact CG1-CG 4.3Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.3Å; V613-L617 PolarHBondContact O-N 2.8Å; V613-H662 HydrophobicContact CG1-CB 4.37Å; V613-H662 HydrophobicContact CG2-CB 3.87Å; V613-H662 VanDerWaalsContact CG2-CD2 3.4Å; V613-H662 WeakPolarHBondContact CG2-CD2 3.46Å; V613-I665 HydrophobicContact CG1-CD1 4.03Å
614I95.4Very high91.7Very high1 Ų124.2 Ų24.21%0.00512%0.123CC..Hα-helixtrans-59.2-42.7179.2-61.8-52.5000111.5L331 E610 D611 V616 L617 L618 V640 L658L331-I614 HydrophobicContact CD2-CG2 4.29Å; E610-I614 PolarHBondContact O-N 3.18Å; D611-I614 PolarHBondContact O-N 3.3Å; I614-V616 PolarHBondContact O-N 3.19Å; I614-L617 HydrophobicContact CD1-CD1 4.42Å; I614-L617 PolarHBondContact O-N 2.7Å; I614-L618 HydrophobicContact CG2-CD1 4.04Å; I614-L618 HydrophobicContact CG2-CG 4.39Å; I614-L618 WeakPolarHBondContact O-CG 3.49Å; I614-L618 PolarHBondContact O-N 2.74Å; I614-V640 HydrophobicContact CD1-CG1 4.26Å; I614-V640 HydrophobicContact CG2-CG1 4.48Å; I614-L658 HydrophobicContact CD1-CD1 4.13Å; I614-L658 HydrophobicContact CD1-CD2 4.05Å
615A94.8Very high91.2Very high1 Ų123.6 Ų23.61%0.00812%0.124CC..Hα-helixtrans-59.3-44.4176.400000112.4L591 L594 A595 D611 A612 V613 C619L591-A615 HydrophobicContact CD2-CB 4.35Å; L594-A615 HydrophobicContact CB-CB 3.59Å; A595-A615 HydrophobicContact CB-CB 4.1Å; D611-A615 PolarHBondContact O-N 3.44Å; D611-A615 VanDerWaalsContact O-N 3.1Å; A612-A615 PolarHBondContact O-N 3.38Å; V613-A615 VanDerWaalsContact C-N 3.31Å; V613-A615 PolarHBondContact O-N 3.12Å; A615-C619 VanDerWaalsContact O-CB 3.22Å; A615-C619 WeakPolarHBondContact O-CB 3.43Å; A615-C619 PolarHBondContact O-N 3.4Å
616V94.2Very high90.6Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-63.9-44.11771690000111.3Y567 L591 A612 V613 I614 C619 E620 L633 I665Y567-V616 HydrophobicContact CD1-CG1 4.27Å; Y567-V616 HydrophobicContact CD1-CG2 3.82Å; Y567-V616 HydrophobicContact CD2-CG1 3.56Å; Y567-V616 HydrophobicContact CD2-CG2 4.3Å; Y567-V616 HydrophobicContact CE1-CG1 4.31Å; Y567-V616 HydrophobicContact CE1-CG2 4.38Å; Y567-V616 HydrophobicContact CE2-CG1 3.61Å; Y567-V616 HydrophobicContact CG-CG1 3.91Å; Y567-V616 HydrophobicContact CG-CG2 3.77Å; L591-V616 HydrophobicContact CD2-CG2 4.15Å; A612-V616 WeakPolarHBondContact O-CB 3.33Å; A612-V616 VanDerWaalsContact O-CG2 3.28Å; A612-V616 WeakPolarHBondContact O-CG2 3.43Å; A612-V616 PolarHBondContact O-N 2.92Å; V613-V616 PolarHBondContact O-N 3.12Å; V613-V616 VanDerWaalsContact O-N 3.15Å; I614-V616 PolarHBondContact O-N 3.19Å; V616-C619 PolarHBondContact O-N 3.18Å; V616-E620 WeakPolarHBondContact O-CB 3.24Å; V616-E620 PolarHBondContact O-N 3.33Å; V616-L633 HydrophobicContact CG1-CD2 4.43Å; V616-I665 HydrophobicContact CB-CD1 4.2Å; V616-I665 HydrophobicContact CG1-CD1 3.8Å; V616-I665 HydrophobicContact CG1-CG1 4.02Å; V616-I665 HydrophobicContact CG1-CG2 4.21Å
617L93.4Very high89.7Confident0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-62.1-46.2179.5-65179.1000112V613 I614 N621 I635 A639 V640 L658 L661 I665V613-L617 HydrophobicContact CG1-CD1 4.03Å; V613-L617 HydrophobicContact CG1-CG 4.3Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.3Å; V613-L617 PolarHBondContact O-N 2.8Å; I614-L617 HydrophobicContact CD1-CD1 4.42Å; I614-L617 PolarHBondContact O-N 2.7Å; L617-N621 WeakPolarHBondContact O-CB 3.22Å; L617-N621 PolarHBondContact O-N 3.27Å; L617-N621 VanDerWaalsContact O-N 3.08Å; L617-I635 HydrophobicContact CD2-CD1 3.61Å; L617-I635 HydrophobicContact CD2-CG2 3.96Å; L617-A639 HydrophobicContact CB-CB 4.43Å; L617-A639 HydrophobicContact CD1-CB 4.25Å; L617-A639 HydrophobicContact CD2-CB 3.98Å; L617-A639 HydrophobicContact CG-CB 4.43Å; L617-V640 HydrophobicContact CB-CG2 3.77Å; L617-V640 HydrophobicContact CD1-CG2 4.26Å; L617-L658 HydrophobicContact CD1-CD2 3.55Å; L617-L661 HydrophobicContact CD1-CD1 4.14Å; L617-L661 HydrophobicContact CD2-CB 4.31Å; L617-L661 HydrophobicContact CD2-CD1 4.19Å; L617-I665 HydrophobicContact CD2-CD1 4.09Å
618L92.3Very high88.1Confident6 Ų619.1 Ų19.13%0.03111%0.106CC..Hα-helixtrans-63.9-42.3177-69.1176.3000111.8T328 L335 L499 L594 I614 S622 V640T328-L618 HydrophobicContact CG2-CD2 3.84Å; L335-L618 HydrophobicContact CD1-CD1 3.68Å; L499-L618 HydrophobicContact CD2-CB 4.42Å; L594-L618 HydrophobicContact CD2-CD1 4.2Å; I614-L618 HydrophobicContact CG2-CD1 4.04Å; I614-L618 HydrophobicContact CG2-CG 4.39Å; I614-L618 WeakPolarHBondContact O-CG 3.49Å; I614-L618 PolarHBondContact O-N 2.74Å; L618-S622 WeakPolarHBondContact O-CB 3.5Å; L618-S622 PolarHBondContact O-N 3.19Å; L618-S622 VanDerWaalsContact O-N 3.08Å; L618-V640 HydrophobicContact CD2-CG2 3.8Å; L618-V640 HydrophobicContact CG-CG2 4.11Å
619C90.4Very high86.2Confident5 Ų526.8 Ų26.83%0.03413%0.13CC..Hα-helixtrans-65.5-46178.2-169.60000111.5L591 A615 V616 N621 S622 V623L591-C619 HydrophobicContact CD2-CB 3.58Å; L591-C619 HydrophobicContact CG-CB 4.46Å; A615-C619 VanDerWaalsContact O-CB 3.22Å; A615-C619 WeakPolarHBondContact O-CB 3.43Å; A615-C619 PolarHBondContact O-N 3.4Å; V616-C619 PolarHBondContact O-N 3.18Å; C619-N621 VanDerWaalsContact C-N 3.35Å; C619-N621 PolarHBondContact O-N 2.91Å; C619-S622 WeakPolarHBondContact O-CB 3.49Å; C619-S622 PolarHBondContact O-N 2.72Å; C619-V623 VanDerWaalsContact O-CG2 3.27Å; C619-V623 WeakPolarHBondContact O-CG2 3.22Å; C619-V623 PolarHBondContact O-N 2.75Å
620E88.3Confident84.2Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-62.8-41.3179.6-169.471.1-164.200111.7Y567 R575 V616 V623 T624 S631 L633 I635Y567-E620 WeakPolarHBondContact CE2-OE2 3.33Å; Y567-E620 PolarHBondContact OH-OE2 3.4Å; R575-E620 IonicContact CZ-OE1 3.36Å; R575-E620 IonicContact NH2-OE1 3.72Å; R575-E620 PolarHBondContact NH2-OE1 3.01Å; R575-E620 IonicContact NH2-OE2 3.29Å; R575-E620 PolarHBondContact NH2-OE2 3.05Å; V616-E620 WeakPolarHBondContact O-CB 3.24Å; V616-E620 PolarHBondContact O-N 3.33Å; E620-V623 PolarHBondContact O-N 2.71Å; E620-T624 WeakPolarHBondContact O-CB 3.4Å; E620-T624 PolarHBondContact O-N 3.11Å; E620-T624 PolarHBondContact O-OG1 3.05Å; E620-S631 PolarHBondContact OE1-OG 3.41Å; E620-L633 HydrophobicContact CG-CB 4.27Å; E620-L633 PolarHBondContact OE1-N 3.27Å; E620-I635 HydrophobicContact CB-CD1 3.7Å; E620-I635 HydrophobicContact CG-CD1 3.58Å; E620-I635 HydrophobicContact CG-CG1 3.91Å
621N86.2Confident82.6Confident20 Ų2022.9 Ų22.911%0.10712%0.116CC..Hα-helixtrans-59.6-47173.8-79.1-11.2000111.3L617 C619 T624 L625 P637L617-N621 WeakPolarHBondContact O-CB 3.22Å; L617-N621 PolarHBondContact O-N 3.27Å; L617-N621 VanDerWaalsContact O-N 3.08Å; C619-N621 VanDerWaalsContact C-N 3.35Å; C619-N621 PolarHBondContact O-N 2.91Å; N621-T624 PolarHBondContact O-N 3.05Å; N621-L625 WeakPolarHBondContact O-CG 3.45Å; N621-L625 PolarHBondContact O-N 2.88Å; N621-L625 VanDerWaalsContact O-N 3.08Å; N621-P637 PolarHBondContact ND2-O 3.48Å
622S86.9Confident81.2Confident1 Ų124.3 Ų24.31%0.00713%0.128CC..Hα-helixtrans-59-47.5175.5174.50000112.1G498 V500 L618 C619 T624 L625 K626G498-S622 PolarHBondContact O-OG 3.11Å; V500-S622 PolarHBondContact N-OG 2.99Å; V500-S622 WeakPolarHBondContact O-CA 3.39Å; L618-S622 WeakPolarHBondContact O-CB 3.5Å; L618-S622 PolarHBondContact O-N 3.19Å; L618-S622 VanDerWaalsContact O-N 3.08Å; C619-S622 WeakPolarHBondContact O-CB 3.49Å; C619-S622 PolarHBondContact O-N 2.72Å; S622-T624 VanDerWaalsContact C-N 3.32Å; S622-T624 PolarHBondContact O-N 3.11Å; S622-L625 PolarHBondContact O-N 3.39Å; S622-K626 WeakPolarHBondContact O-CG 3.47Å; S622-K626 PolarHBondContact O-N 2.87Å; S622-K626 WeakPolarHBondContact OG-CE 3.46Å
623V83.3Confident80.3Confident18 Ų1824.6 Ų24.611%0.10913%0.13CC..Hα-helixtrans-65.1-37.7-179.9-179.50000111.3R575 C619 E620 L625 K626 H627R575-V623 VanDerWaalsContact CZ-CG1 3.41Å; C619-V623 VanDerWaalsContact O-CG2 3.27Å; C619-V623 WeakPolarHBondContact O-CG2 3.22Å; C619-V623 PolarHBondContact O-N 2.75Å; E620-V623 PolarHBondContact O-N 2.71Å; V623-L625 VanDerWaalsContact C-N 3.31Å; V623-L625 PolarHBondContact O-N 2.83Å; V623-K626 PolarHBondContact O-N 3.35Å; V623-H627 WeakPolarHBondContact CG1-ND1 3.32Å; V623-H627 PolarHBondContact O-N 3.2Å; V623-H627 VanDerWaalsContact O-N 3.13Å; V623-H627 PolarHBondContact O-ND1 2.76Å
624T81.4Confident79.4Confident39 Ų3930.5 Ų30.524%0.23917%0.166CC..Hα-helixtrans-62.1-39.6176.1-59.10000111.9E620 N621 S622 G628 S631E620-T624 WeakPolarHBondContact O-CB 3.4Å; E620-T624 PolarHBondContact O-N 3.11Å; E620-T624 PolarHBondContact O-OG1 3.05Å; N621-T624 PolarHBondContact O-N 3.05Å; S622-T624 VanDerWaalsContact C-N 3.32Å; S622-T624 PolarHBondContact O-N 3.11Å; T624-G628 WeakPolarHBondContact O-CA 3.08Å; T624-G628 PolarHBondContact O-N 3.25Å; T624-S631 WeakPolarHBondContact OG1-CB 3.38Å; T624-S631 PolarHBondContact OG1-OG 2.71Å
625L79.3Confident78.7Confident47 Ų4731.5 Ų31.525%0.24617%0.17CC..Hα-helixtrans-69.7-41.7177.3-69.9171.7000112.1T486 V500 Q502 N621 S622 V623T486-L625 WeakPolarHBondContact CG2-O 3.29Å; V500-L625 HydrophobicContact CG1-CB 4.26Å; V500-L625 HydrophobicContact CG1-CD1 4.37Å; V500-L625 WeakPolarHBondContact O-CD1 3.41Å; Q502-L625 HydrophobicContact CB-CD1 3.69Å; Q502-L625 HydrophobicContact CB-CD2 3.78Å; Q502-L625 HydrophobicContact CB-CG 4.41Å; N621-L625 WeakPolarHBondContact O-CG 3.45Å; N621-L625 PolarHBondContact O-N 2.88Å; N621-L625 VanDerWaalsContact O-N 3.08Å; S622-L625 PolarHBondContact O-N 3.39Å; V623-L625 VanDerWaalsContact C-N 3.31Å; V623-L625 PolarHBondContact O-N 2.83Å
626K79.8Confident77.9Confident27 Ų2734.4 Ų34.412%0.11719%0.189CC..Hα-helixtrans-64.2-42.5179.7-71.2171.1-179.6-167.50113.3A494 E495 F497 G498 V500 S622 V623A494-K626 WeakPolarHBondContact O-CE 3.38Å; E495-K626 PolarHBondContact O-NZ 3.25Å; F497-K626 WeakPolarHBondContact O-CE 3.46Å; F497-K626 PolarHBondContact O-NZ 2.98Å; G498-K626 PolarHBondContact O-NZ 3.25Å; V500-K626 HydrophobicContact CB-CG 4.41Å; V500-K626 HydrophobicContact CG2-CD 4.27Å; V500-K626 VanDerWaalsContact CG2-CE 3.41Å; V500-K626 HydrophobicContact CG2-CG 3.85Å; S622-K626 WeakPolarHBondContact O-CG 3.47Å; S622-K626 PolarHBondContact O-N 2.87Å; S622-K626 WeakPolarHBondContact OG-CE 3.46Å; V623-K626 PolarHBondContact O-N 3.35Å
627H74.2Confident76.5Confident54 Ų5437.4 Ų37.425%0.2521%0.209CC..Hα-helixtrans-108.81.7-168.9-5390.5000114.1E495 V581 V623 A630E495-H627 IonicContact OE1-CD2 3.89Å; E495-H627 IonicContact OE1-NE2 3.41Å; V581-H627 WeakPolarHBondContact CG1-NE2 3.35Å; V623-H627 WeakPolarHBondContact CG1-ND1 3.32Å; V623-H627 PolarHBondContact O-N 3.2Å; V623-H627 VanDerWaalsContact O-N 3.13Å; V623-H627 PolarHBondContact O-ND1 2.76Å; H627-A630 HydrophobicContact CB-CB 3.9Å
628G62.6Low75.6Confident28 Ų2840.8 Ų40.829%0.28923%0.227SC..THydrogen-bonded Turntrans62.799.5175.700000114.6T624 A630T624-G628 WeakPolarHBondContact O-CA 3.08Å; T624-G628 PolarHBondContact O-N 3.25Å; G628-A630 PolarHBondContact O-N 2.99Å
629R53.4Low75Confident201 Ų20140.5 Ų40.576%0.75823%0.225SC*.SBendtrans51.56.8178.4-69.7-170.6-178.9-178.51.4116.4L481 S631L481-R629 VanDerWaalsContact CD2-NH1 3.33Å; R629-S631 PolarHBondContact O-N 3.08Å
630A53.1Low74.8Confident11 Ų1140.2 Ų40.29%0.09122%0.224CC..  trans-7835.7178.300000112.9R575 Q579 H627 G628 A632R575-A630 PolarHBondContact NH1-O 2.8Å; Q579-A630 HydrophobicContact CG-CB 4.37Å; Q579-A630 PolarHBondContact OE1-O 2.76Å; H627-A630 HydrophobicContact CB-CB 3.9Å; G628-A630 PolarHBondContact O-N 2.99Å; A630-A632 PolarHBondContact O-N 2.83Å
631S59.5Low74.7Confident22 Ų2241 Ų4115%0.15423%0.227CC..  trans-83.9110.9-178.6-138.50000109.7E620 T624 R629 L633E620-S631 PolarHBondContact OE1-OG 3.41Å; T624-S631 WeakPolarHBondContact OG1-CB 3.38Å; T624-S631 PolarHBondContact OG1-OG 2.71Å; R629-S631 PolarHBondContact O-N 3.08Å; S631-L633 WeakPolarHBondContact CB-O 3.49Å; S631-L633 PolarHBondContact OG-O 3.2Å
632A66.4Low74.4Confident30 Ų3043 Ų4325%0.24824%0.241CC..SBendtrans-68.3-29172.500000111.5A574 R575 A630 F668A574-A632 HydrophobicContact CB-CB 3.62Å; R575-A632 HydrophobicContact CG-CB 3.93Å; A630-A632 PolarHBondContact O-N 2.83Å; A632-F668 HydrophobicContact CB-CE2 3.95Å; A632-F668 HydrophobicContact CB-CZ 3.97Å
633L76.3Confident74Confident6 Ų644.1 Ų44.13%0.03125%0.249CC..SBendtrans-103.7112.2171-176.359.9000107.8Y567 V616 E620 S631 I635 I664 I665 F668Y567-L633 HydrophobicContact CD2-CD2 4.38Å; Y567-L633 HydrophobicContact CE2-CD2 4.07Å; V616-L633 HydrophobicContact CG1-CD2 4.43Å; E620-L633 HydrophobicContact CG-CB 4.27Å; E620-L633 PolarHBondContact OE1-N 3.27Å; S631-L633 WeakPolarHBondContact CB-O 3.49Å; S631-L633 PolarHBondContact OG-O 3.2Å; L633-I635 HydrophobicContact CB-CG1 4.47Å; L633-I635 HydrophobicContact CD2-CD1 3.65Å; L633-I635 HydrophobicContact CD2-CG1 4.14Å; L633-I635 HydrophobicContact CG-CD1 3.84Å; L633-I635 HydrophobicContact CG-CG1 3.73Å; L633-I635 PolarHBondContact O-N 3.13Å; L633-I664 HydrophobicContact CD1-CG2 3.73Å; L633-I665 HydrophobicContact CD2-CG1 3.95Å; L633-F668 HydrophobicContact CB-CD2 4.34Å; L633-F668 HydrophobicContact CB-CE2 4.37Å; L633-F668 HydrophobicContact CB-CG 4.43Å; L633-F668 HydrophobicContact CB-CZ 4.48Å; L633-F668 HydrophobicContact CD1-CB 3.7Å; L633-F668 HydrophobicContact CD1-CD1 4.44Å; L633-F668 HydrophobicContact CD1-CD2 4.08Å; L633-F668 HydrophobicContact CD1-CG 3.83Å; L633-F668 HydrophobicContact CD2-CD1 4.45Å
634V76.4Confident73.7Confident124 Ų12448.3 Ų48.375%0.75227%0.27SS*.  trans-79.7106.3-178.8-178.60000108.6
635I80.6Confident73.4Confident21 Ų2146.5 Ų46.511%0.10826%0.259CS..  trans-117.5142.9179.8-54.5-165.2000109.1L617 E620 L633 A639 L661L617-I635 HydrophobicContact CD2-CD1 3.61Å; L617-I635 HydrophobicContact CD2-CG2 3.96Å; E620-I635 HydrophobicContact CB-CD1 3.7Å; E620-I635 HydrophobicContact CG-CD1 3.58Å; E620-I635 HydrophobicContact CG-CG1 3.91Å; L633-I635 HydrophobicContact CB-CG1 4.47Å; L633-I635 HydrophobicContact CD2-CD1 3.65Å; L633-I635 HydrophobicContact CD2-CG1 4.14Å; L633-I635 HydrophobicContact CG-CD1 3.84Å; L633-I635 HydrophobicContact CG-CG1 3.73Å; L633-I635 PolarHBondContact O-N 3.13Å; I635-A639 HydrophobicContact CG2-CB 3.15Å; I635-L661 HydrophobicContact CG2-CD2 4.32Å
636P77.6Confident73Confident62 Ų6251.7 Ų51.740%0.40328%0.282SS..  trans-61.3142.6169.525.5-34.1000111.1D638 A639 L661P636-D638 PolarHBondContact O-N 3.07Å; P636-A639 HydrophobicContact CG-CB 4.01Å; P636-A639 WeakPolarHBondContact O-CB 3.46Å; P636-A639 PolarHBondContact O-N 3.28Å; P636-L661 HydrophobicContact CG-CD2 4.39Å
637P64.3Low72.7Confident64 Ų6453.8 Ų53.842%0.41630%0.295SS..THydrogen-bonded Turntrans-67.1-9-171.525.9-34.6000115.2N621N621-P637 PolarHBondContact ND2-O 3.48Å
638D75.2Confident72.7Confident70 Ų7055.4 Ų55.437%0.37431%0.308SS..THydrogen-bonded Turntrans-123.438.1171.2-67.8-55.8000111.6P636 V640 F641P636-D638 PolarHBondContact O-N 3.07Å; D638-V640 PolarHBondContact O-N 3.43Å; D638-F641 CarbonylContact O-C 3.56Å; D638-F641 PolarHBondContact O-N 3.34Å
639A80.8Confident73.5Confident0 Ų058.6 Ų58.60%032%0.319CS..THydrogen-bonded Turntrans-51.1-30.4-175.400000115.6L617 I635 P636 L661L617-A639 HydrophobicContact CB-CB 4.43Å; L617-A639 HydrophobicContact CD1-CB 4.25Å; L617-A639 HydrophobicContact CD2-CB 3.98Å; L617-A639 HydrophobicContact CG-CB 4.43Å; I635-A639 HydrophobicContact CG2-CB 3.15Å; P636-A639 HydrophobicContact CG-CB 4.01Å; P636-A639 WeakPolarHBondContact O-CB 3.46Å; P636-A639 PolarHBondContact O-N 3.28Å; A639-L661 HydrophobicContact CB-CD1 3.72Å
640V85.8Confident74.9Confident0 Ų049 Ų490%028%0.283CS..THydrogen-bonded Turntrans-78.3-26.1-179.8-175.10000112.2L331 I614 L617 L618 D638 R654L331-V640 HydrophobicContact CD2-CG1 3.69Å; I614-V640 HydrophobicContact CD1-CG1 4.26Å; I614-V640 HydrophobicContact CG2-CG1 4.48Å; L617-V640 HydrophobicContact CB-CG2 3.77Å; L617-V640 HydrophobicContact CD1-CG2 4.26Å; L618-V640 HydrophobicContact CD2-CG2 3.8Å; L618-V640 HydrophobicContact CG-CG2 4.11Å; D638-V640 PolarHBondContact O-N 3.43Å; V640-R654 PolarHBondContact O-NE 2.85Å; V640-R654 PolarHBondContact O-NH2 3.43Å
641F85.8Confident76.4Confident16 Ų1649 Ų497%0.0728%0.281CS..SBendtrans-136.169.7179-66.9-82000110.3A310 A313 N327 L331 D638 C643 L645A310-F641 HydrophobicContact CB-CE1 4.01Å; A313-F641 HydrophobicContact CB-CZ 4Å; N327-F641 VanDerWaalsContact C-CE2 3.5Å; N327-F641 HydrophobicContact CB-CB 4.25Å; N327-F641 HydrophobicContact CB-CD1 3.67Å; N327-F641 HydrophobicContact CB-CD2 3.56Å; N327-F641 HydrophobicContact CB-CE1 3.8Å; N327-F641 HydrophobicContact CB-CE2 3.7Å; N327-F641 HydrophobicContact CB-CG 3.55Å; N327-F641 HydrophobicContact CB-CZ 3.82Å; N327-F641 WeakPolarHBondContact O-CE2 3.5Å; L331-F641 HydrophobicContact CB-CE2 4.05Å; L331-F641 HydrophobicContact CB-CZ 4.31Å; L331-F641 HydrophobicContact CD2-CE2 3.95Å; L331-F641 HydrophobicContact CD2-CZ 4.23Å; D638-F641 CarbonylContact O-C 3.56Å; D638-F641 PolarHBondContact O-N 3.34Å; F641-C643 VanDerWaalsContact C-N 3.26Å; F641-C643 PolarHBondContact O-N 3.48Å; F641-L645 HydrophobicContact CD1-CD1 3.92Å; F641-L645 HydrophobicContact CE1-CD1 3.92Å
642P80.6Confident77.7Confident61 Ų6152.8 Ų52.840%0.39630%0.296SS..  trans-75.5-13.8-173.930.4-35.3000113.7A657P642-A657 HydrophobicContact CG-CB 3.8Å
643C77.9Confident78.8Confident25 Ų2557.8 Ų57.817%0.16931%0.309CS..SBendtrans-145.6159-179.754.50000111.3F641F641-C643 VanDerWaalsContact C-N 3.26Å; F641-C643 PolarHBondContact O-N 3.48Å
644D76Confident79.4Confident106 Ų10657.6 Ų57.657%0.56731%0.307SS*.  trans-68.4145.3175.4-62.9-43.1000111.3
645L76.7Confident80.1Confident1 Ų152.2 Ų52.21%0.00528%0.275CS..  trans-10827.1-171-59.2-179000113.2A310 H314 F641 D647 L651 R654A310-L645 HydrophobicContact CB-CD1 3.97Å; H314-L645 HydrophobicContact CB-CD1 4.3Å; F641-L645 HydrophobicContact CD1-CD1 3.92Å; F641-L645 HydrophobicContact CE1-CD1 3.92Å; L645-D647 PolarHBondContact O-N 3.23Å; L645-L651 HydrophobicContact CD1-CD2 4.46Å; L645-L651 HydrophobicContact CD2-CD2 4.01Å; L645-R654 HydrophobicContact CD2-CB 4.19Å
646E69.4Low80.6Confident156 Ų15653.6 Ų53.673%0.72929%0.289SS*.SBendtrans-66.2-26.5-176.6-63.5-173.5165.800112.8
647D73.2Confident81.3Confident71 Ų7151.8 Ų51.838%0.3828%0.279SS..SBendtrans-129.6164.7-176.260.31.9000113.8L645 D649 G650 L651 R653L645-D647 PolarHBondContact O-N 3.23Å; D647-D649 PolarHBondContact O-N 3.19Å; D647-G650 PolarHBondContact O-N 2.94Å; D647-G650 VanDerWaalsContact O-N 3.13Å; D647-G650 VanDerWaalsContact OD1-CA 3.32Å; D647-G650 WeakPolarHBondContact OD1-CA 3.39Å; D647-G650 PolarHBondContact OD1-N 2.99Å; D647-L651 PolarHBondContact O-N 3.18Å; D647-R653 IonicContact OD1-NH2 2.75Å
648V74.8Confident82.6Confident88 Ų8848.8 Ų48.853%0.53326%0.26SS..Hα-helixtrans-60.2-32.9176.2178.20000111G650 L651 Q652V648-G650 VanDerWaalsContact C-N 3.35Å; V648-L651 WeakPolarHBondContact O-CB 3.25Å; V648-L651 PolarHBondContact O-N 2.82Å; V648-Q652 PolarHBondContact O-N 3.48Å; V648-Q652 VanDerWaalsContact O-N 3.15Å
649D80.3Confident83.5Confident96 Ų9649.4 Ų49.451%0.51326%0.263SS..Hα-helixtrans-68.7-33.5177.6-65.9-15000111.7D647 Q652 R653D647-D649 PolarHBondContact O-N 3.19Å; D649-Q652 PolarHBondContact O-N 3.01Å; D649-R653 WeakPolarHBondContact O-CB 3.18Å; D649-R653 WeakPolarHBondContact O-CG 3.38Å; D649-R653 PolarHBondContact O-N 2.88Å; D649-R653 PolarHBondContact O-NE 3.21Å
650G83.1Confident84Confident0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-61.3-42.7170.300000112.5D647 V648 Q652 R653 R654D647-G650 PolarHBondContact O-N 2.94Å; D647-G650 VanDerWaalsContact O-N 3.13Å; D647-G650 VanDerWaalsContact OD1-CA 3.32Å; D647-G650 WeakPolarHBondContact OD1-CA 3.39Å; D647-G650 PolarHBondContact OD1-N 2.99Å; V648-G650 VanDerWaalsContact C-N 3.35Å; G650-Q652 PolarHBondContact O-N 3.2Å; G650-R653 PolarHBondContact O-N 3.01Å; G650-R654 WeakPolarHBondContact O-CB 3.43Å; G650-R654 PolarHBondContact O-N 3.05Å
651L84Confident84.4Confident9 Ų956.8 Ų56.85%0.04730%0.298CS..Hα-helixtrans-62.9-41.4174.5-72.7172000112.4R307 I311 W535 L645 D647 V648 R654 D655R307-L651 HydrophobicContact CG-CB 4.45Å; R307-L651 HydrophobicContact CG-CD2 4.34Å; I311-L651 HydrophobicContact CD1-CD1 4Å; I311-L651 HydrophobicContact CG1-CD1 4.25Å; I311-L651 HydrophobicContact CG1-CD2 4.12Å; W535-L651 HydrophobicContact CH2-CD1 3.58Å; W535-L651 HydrophobicContact CH2-CG 4.48Å; W535-L651 HydrophobicContact CZ2-CD1 4.31Å; W535-L651 HydrophobicContact CZ3-CD1 4.41Å; L645-L651 HydrophobicContact CD1-CD2 4.46Å; L645-L651 HydrophobicContact CD2-CD2 4.01Å; D647-L651 PolarHBondContact O-N 3.18Å; V648-L651 WeakPolarHBondContact O-CB 3.25Å; V648-L651 PolarHBondContact O-N 2.82Å; L651-R654 PolarHBondContact O-N 2.56Å; L651-D655 PolarHBondContact O-N 2.91Å
652Q86.8Confident84.8Confident102 Ų10256.9 Ų56.948%0.47730%0.299SS..Hα-helixtrans-66.8-43177.3-68.4179.816.100112.1V648 D649 G650 R654 D655 A656V648-Q652 PolarHBondContact O-N 3.48Å; V648-Q652 VanDerWaalsContact O-N 3.15Å; D649-Q652 PolarHBondContact O-N 3.01Å; G650-Q652 PolarHBondContact O-N 3.2Å; Q652-R654 VanDerWaalsContact C-N 3.28Å; Q652-R654 PolarHBondContact O-N 2.94Å; Q652-D655 PolarHBondContact O-N 2.81Å; Q652-A656 PolarHBondContact O-N 2.97Å
653R88.6Confident85.4Confident136 Ų13659.7 Ų59.751%0.51331%0.306SS..Hα-helixtrans-60.5-39.3174.8-76.2-176.4-67.8143.8-3.5111.8D647 D649 G650 A657D647-R653 IonicContact OD1-NH2 2.75Å; D649-R653 WeakPolarHBondContact O-CB 3.18Å; D649-R653 WeakPolarHBondContact O-CG 3.38Å; D649-R653 PolarHBondContact O-N 2.88Å; D649-R653 PolarHBondContact O-NE 3.21Å; G650-R653 PolarHBondContact O-N 3.01Å; R653-A657 WeakPolarHBondContact O-CB 3.39Å; R653-A657 PolarHBondContact O-N 2.92Å
654R89.9Confident86.1Confident1 Ų162.2 Ų62.20%0.00432%0.318CS..Hα-helixtrans-63.8-47.4175.8177.6173.1170.8-84.63111.8W306 A310 V640 L645 G650 L651 Q652 A656 A657 L658W306-R654 PolarHBondContact O-NH1 3.15Å; A310-R654 VanDerWaalsContact CB-CZ 3.46Å; V640-R654 PolarHBondContact O-NE 2.85Å; V640-R654 PolarHBondContact O-NH2 3.43Å; L645-R654 HydrophobicContact CD2-CB 4.19Å; G650-R654 WeakPolarHBondContact O-CB 3.43Å; G650-R654 PolarHBondContact O-N 3.05Å; L651-R654 PolarHBondContact O-N 2.56Å; Q652-R654 VanDerWaalsContact C-N 3.28Å; Q652-R654 PolarHBondContact O-N 2.94Å; R654-A656 VanDerWaalsContact C-N 3.34Å; R654-A656 PolarHBondContact O-N 2.63Å; R654-A657 PolarHBondContact O-N 3.42Å; R654-L658 HydrophobicContact CG-CD1 4.12Å; R654-L658 HydrophobicContact CG-CG 4.43Å; R654-L658 WeakPolarHBondContact O-CG 3.28Å; R654-L658 PolarHBondContact O-N 3.39Å
655D91.1Very high86.9Confident12 Ų1257.2 Ų57.26%0.06429%0.291CS..Hα-helixtrans-59.2-46.5178.5-74.1-2.5000110.9S304 W306 R307 L651 Q652 A657 L658 D659S304-D655 VanDerWaalsContact CB-OD2 3.27Å; S304-D655 WeakPolarHBondContact CB-OD2 3.41Å; S304-D655 PolarHBondContact OG-OD1 3.07Å; S304-D655 PolarHBondContact OG-OD2 3.29Å; W306-D655 HydrophobicContact CE3-CB 4.25Å; W306-D655 WeakPolarHBondContact CZ3-O 3.34Å; R307-D655 WeakPolarHBondContact CG-OD2 3.19Å; R307-D655 IonicContact CZ-OD2 3.54Å; R307-D655 VanDerWaalsContact CZ-OD2 3.26Å; R307-D655 IonicContact NE-OD2 3Å; R307-D655 PolarHBondContact NE-OD2 2.79Å; R307-D655 IonicContact NH2-OD2 3.26Å; R307-D655 PolarHBondContact NH2-OD2 3.13Å; L651-D655 PolarHBondContact O-N 2.91Å; Q652-D655 PolarHBondContact O-N 2.81Å; D655-A657 VanDerWaalsContact C-N 3.32Å; D655-A657 PolarHBondContact O-N 2.67Å; D655-L658 PolarHBondContact O-N 3.14Å; D655-L658 VanDerWaalsContact O-N 3.11Å; D655-D659 PolarHBondContact O-N 3.02Å
656A91.3Very high87.6Confident49 Ų4960 Ų6041%0.40531%0.305SS..Hα-helixtrans-59.9-40.4176.800000112.7Q652 R654 D659 E660Q652-A656 PolarHBondContact O-N 2.97Å; R654-A656 VanDerWaalsContact C-N 3.34Å; R654-A656 PolarHBondContact O-N 2.63Å; A656-D659 PolarHBondContact O-N 3.25Å; A656-E660 WeakPolarHBondContact O-CG 3.14Å; A656-E660 PolarHBondContact O-N 3.21Å
657A91.6Very high88.6Confident25 Ų2561.8 Ų61.821%0.20731%0.305CS..Hα-helixtrans-66.7-36.4175.800000112.5P642 R653 R654 D655 E660 L661P642-A657 HydrophobicContact CG-CB 3.8Å; R653-A657 WeakPolarHBondContact O-CB 3.39Å; R653-A657 PolarHBondContact O-N 2.92Å; R654-A657 PolarHBondContact O-N 3.42Å; D655-A657 VanDerWaalsContact C-N 3.32Å; D655-A657 PolarHBondContact O-N 2.67Å; A657-E660 PolarHBondContact O-N 2.93Å; A657-L661 VanDerWaalsContact O-CG 3.32Å; A657-L661 WeakPolarHBondContact O-CG 3.43Å; A657-L661 PolarHBondContact O-N 2.69Å
658L92.5Very high89.4Confident0 Ų058.9 Ų58.90%029%0.29CS..Hα-helixtrans-69.4-37175.2-71.6175.5000111.8W306 I614 L617 R654 D655 L661 H662W306-L658 HydrophobicContact CB-CD1 3.89Å; W306-L658 HydrophobicContact CD2-CB 4Å; W306-L658 HydrophobicContact CD2-CD1 3.55Å; W306-L658 HydrophobicContact CD2-CG 4.42Å; W306-L658 HydrophobicContact CE3-CB 3.64Å; W306-L658 HydrophobicContact CE3-CD1 3.72Å; W306-L658 HydrophobicContact CE3-CG 4.34Å; W306-L658 HydrophobicContact CG-CD1 3.66Å; W306-L658 HydrophobicContact CH2-CB 3.68Å; W306-L658 HydrophobicContact CZ2-CB 4.02Å; W306-L658 HydrophobicContact CZ3-CB 3.47Å; W306-L658 VanDerWaalsContact CZ3-CB 3.47Å; W306-L658 HydrophobicContact CZ3-CD1 4.44Å; I614-L658 HydrophobicContact CD1-CD1 4.13Å; I614-L658 HydrophobicContact CD1-CD2 4.05Å; L617-L658 HydrophobicContact CD1-CD2 3.55Å; R654-L658 HydrophobicContact CG-CD1 4.12Å; R654-L658 HydrophobicContact CG-CG 4.43Å; R654-L658 WeakPolarHBondContact O-CG 3.28Å; R654-L658 PolarHBondContact O-N 3.39Å; D655-L658 PolarHBondContact O-N 3.14Å; D655-L658 VanDerWaalsContact O-N 3.11Å; L658-L661 HydrophobicContact CD2-CD1 4.42Å; L658-L661 PolarHBondContact O-N 2.83Å; L658-H662 WeakPolarHBondContact O-CB 3.24Å; L658-H662 PolarHBondContact O-N 3.2Å
659D92.8Very high90.1Very high83 Ų8355.5 Ų55.544%0.44427%0.269SS..Hα-helixtrans-61.4-43.9172.3-76-36.4000111.6W306 D655 A656 L661 H662 Q663W306-D659 WeakPolarHBondContact CH2-OD1 3.1Å; W306-D659 WeakPolarHBondContact CZ3-OD1 3.4Å; D655-D659 PolarHBondContact O-N 3.02Å; A656-D659 PolarHBondContact O-N 3.25Å; D659-L661 PolarHBondContact O-N 3.38Å; D659-H662 WeakPolarHBondContact O-CB 3.33Å; D659-H662 PolarHBondContact O-N 2.88Å; D659-Q663 WeakPolarHBondContact O-CG 3.15Å; D659-Q663 PolarHBondContact O-N 2.83Å
660E92.9Very high90.5Very high140 Ų14059.8 Ų59.865%0.65428%0.279SS*.Hα-helixtrans-60.9-44.5174.8-73.8-177.6-177.700111.7A656 A657 H662 Q663 I664A656-E660 WeakPolarHBondContact O-CG 3.14Å; A656-E660 PolarHBondContact O-N 3.21Å; A657-E660 PolarHBondContact O-N 2.93Å; E660-H662 VanDerWaalsContact C-N 3.33Å; E660-H662 PolarHBondContact O-N 3.2Å; E660-Q663 PolarHBondContact O-N 2.8Å; E660-I664 WeakPolarHBondContact O-CG1 3.5Å; E660-I664 PolarHBondContact O-N 2.83Å
661L93.1Very high90.7Very high15 Ų1563.7 Ų63.78%0.07930%0.303CS..Hα-helixtrans-64.8-36.9176.3-72.3171.1000112.2L617 I635 P636 A639 A657 L658 D659 I664 I665L617-L661 HydrophobicContact CD1-CD1 4.14Å; L617-L661 HydrophobicContact CD2-CB 4.31Å; L617-L661 HydrophobicContact CD2-CD1 4.19Å; I635-L661 HydrophobicContact CG2-CD2 4.32Å; P636-L661 HydrophobicContact CG-CD2 4.39Å; A639-L661 HydrophobicContact CB-CD1 3.72Å; A657-L661 VanDerWaalsContact O-CG 3.32Å; A657-L661 WeakPolarHBondContact O-CG 3.43Å; A657-L661 PolarHBondContact O-N 2.69Å; L658-L661 HydrophobicContact CD2-CD1 4.42Å; L658-L661 PolarHBondContact O-N 2.83Å; D659-L661 PolarHBondContact O-N 3.38Å; L661-I664 HydrophobicContact CD2-CD1 4.33Å; L661-I664 WeakPolarHBondContact O-CB 2.95Å; L661-I664 PolarHBondContact O-N 3.26Å; L661-I665 VanDerWaalsContact O-CG1 3.31Å; L661-I665 WeakPolarHBondContact O-CG1 3.42Å; L661-I665 PolarHBondContact O-N 2.82Å
662H94.1Very high90.6Very high19 Ų1967 Ų679%0.08832%0.317CS..Hα-helixtrans-60.1-46.2174.4178.6-156.3000111.2E609 V613 L658 D659 E660 I664 I665 L666E609-H662 VanDerWaalsContact CD-NE2 3.26Å; E609-H662 IonicContact OE1-CD2 3.07Å; E609-H662 IonicContact OE1-CE1 3.4Å; E609-H662 PolarHBondContact OE1-CE1 3.13Å; E609-H662 IonicContact OE1-NE2 3.78Å; E609-H662 PolarHBondContact OE1-NE2 2.66Å; V613-H662 HydrophobicContact CG1-CB 4.37Å; V613-H662 HydrophobicContact CG2-CB 3.87Å; V613-H662 VanDerWaalsContact CG2-CD2 3.4Å; V613-H662 WeakPolarHBondContact CG2-CD2 3.46Å; L658-H662 WeakPolarHBondContact O-CB 3.24Å; L658-H662 PolarHBondContact O-N 3.2Å; D659-H662 WeakPolarHBondContact O-CB 3.33Å; D659-H662 PolarHBondContact O-N 2.88Å; E660-H662 VanDerWaalsContact C-N 3.33Å; E660-H662 PolarHBondContact O-N 3.2Å; H662-I664 VanDerWaalsContact C-N 3.3Å; H662-I664 PolarHBondContact O-N 3.07Å; H662-I665 PolarHBondContact O-N 3.3Å; H662-L666 WeakPolarHBondContact O-CG 3.14Å; H662-L666 PolarHBondContact O-N 3.27Å
663Q93.8Very high90.4Very high119 Ų11962.3 Ų62.356%0.55630%0.296SS*.Hα-helixtrans-62-37.1174.7-65.4-54.7-46.700112.5D659 E660 L666 R667D659-Q663 WeakPolarHBondContact O-CG 3.15Å; D659-Q663 PolarHBondContact O-N 2.83Å; E660-Q663 PolarHBondContact O-N 2.8Å; Q663-L666 PolarHBondContact O-N 3.01Å; Q663-R667 WeakPolarHBondContact O-CB 3.47Å; Q663-R667 PolarHBondContact O-N 3.45Å
664I92.3Very high89.4Confident79 Ų7959.7 Ų59.741%0.40530%0.297SS..Hα-helixtrans-63.8-43.7175-69.1165.1000111L633 E660 L661 H662 R667 F668L633-I664 HydrophobicContact CD1-CG2 3.73Å; E660-I664 WeakPolarHBondContact O-CG1 3.5Å; E660-I664 PolarHBondContact O-N 2.83Å; L661-I664 HydrophobicContact CD2-CD1 4.33Å; L661-I664 WeakPolarHBondContact O-CB 2.95Å; L661-I664 PolarHBondContact O-N 3.26Å; H662-I664 VanDerWaalsContact C-N 3.3Å; H662-I664 PolarHBondContact O-N 3.07Å; I664-R667 PolarHBondContact O-N 2.57Å; I664-F668 WeakPolarHBondContact O-CB 3.44Å; I664-F668 PolarHBondContact O-N 3.31Å
665I92.4Very high88Confident1 Ų161.5 Ų61.51%0.00532%0.316CS..Hα-helixtrans-61.2-47.9175.8-66.1161000110.2L563 V613 V616 L617 L633 L661 H662 R667 F668 V669L563-I665 HydrophobicContact CD1-CG2 3.87Å; V613-I665 HydrophobicContact CG1-CD1 4.03Å; V616-I665 HydrophobicContact CB-CD1 4.2Å; V616-I665 HydrophobicContact CG1-CD1 3.8Å; V616-I665 HydrophobicContact CG1-CG1 4.02Å; V616-I665 HydrophobicContact CG1-CG2 4.21Å; L617-I665 HydrophobicContact CD2-CD1 4.09Å; L633-I665 HydrophobicContact CD2-CG1 3.95Å; L661-I665 VanDerWaalsContact O-CG1 3.31Å; L661-I665 WeakPolarHBondContact O-CG1 3.42Å; L661-I665 PolarHBondContact O-N 2.82Å; H662-I665 PolarHBondContact O-N 3.3Å; I665-R667 VanDerWaalsContact C-N 3.34Å; I665-R667 PolarHBondContact O-N 3.04Å; I665-F668 WeakPolarHBondContact O-CB 3.41Å; I665-F668 PolarHBondContact O-N 3.28Å; I665-F668 VanDerWaalsContact O-N 3.13Å; I665-V669 HydrophobicContact CG2-CG2 4.45Å; I665-V669 WeakPolarHBondContact O-CG2 3.43Å; I665-V669 PolarHBondContact O-N 3.33Å
666L91.8Very high86.4Confident59 Ų5961.8 Ų61.831%0.30932%0.32SS..Hα-helixtrans-59.3-44.4178.9-74.8173.5000112L563 H662 Q663 F668 V669 Y670L563-L666 HydrophobicContact CD1-CD2 3.68Å; L563-L666 HydrophobicContact CD1-CG 4.39Å; H662-L666 WeakPolarHBondContact O-CG 3.14Å; H662-L666 PolarHBondContact O-N 3.27Å; Q663-L666 PolarHBondContact O-N 3.01Å; L666-F668 VanDerWaalsContact C-N 3.31Å; L666-F668 PolarHBondContact O-N 3.09Å; L666-V669 PolarHBondContact O-N 2.92Å; L666-Y670 WeakPolarHBondContact O-CB 3.38Å; L666-Y670 PolarHBondContact O-N 2.82Å
667R91.2Very high84.5Confident193 Ų19364.3 Ų64.373%0.72833%0.326SS*.Hα-helixtrans-62.2-39.5176-173176.3-178.8177.21.3111.9Q663 I664 I665 Y670 T671Q663-R667 WeakPolarHBondContact O-CB 3.47Å; Q663-R667 PolarHBondContact O-N 3.45Å; I664-R667 PolarHBondContact O-N 2.57Å; I665-R667 VanDerWaalsContact C-N 3.34Å; I665-R667 PolarHBondContact O-N 3.04Å; R667-Y670 PolarHBondContact O-N 3.49Å; R667-T671 WeakPolarHBondContact O-CB 3.46Å; R667-T671 PolarHBondContact O-N 3.35Å; R667-T671 PolarHBondContact O-OG1 3.09Å
668F89.9Confident82.5Confident11 Ų1166.5 Ų66.55%0.04834%0.344CS..Hα-helixtrans-63-46.9175.3177.6-102000111.7Y567 A570 A574 A632 L633 I664 I665 L666 Y670 T671 F672Y567-F668 HydrophobicContact CD2-CD1 4.37Å; Y567-F668 HydrophobicContact CD2-CE1 4.28Å; Y567-F668 HydrophobicContact CE2-CE1 4.49Å; A570-F668 HydrophobicContact CB-CD1 3.78Å; A570-F668 HydrophobicContact CB-CE1 3.46Å; A570-F668 VanDerWaalsContact CB-CE1 3.46Å; A570-F668 HydrophobicContact CB-CZ 4.17Å; A574-F668 HydrophobicContact CB-CE2 4.17Å; A574-F668 HydrophobicContact CB-CZ 4Å; A632-F668 HydrophobicContact CB-CE2 3.95Å; A632-F668 HydrophobicContact CB-CZ 3.97Å; L633-F668 HydrophobicContact CB-CD2 4.34Å; L633-F668 HydrophobicContact CB-CE2 4.37Å; L633-F668 HydrophobicContact CB-CG 4.43Å; L633-F668 HydrophobicContact CB-CZ 4.48Å; L633-F668 HydrophobicContact CD1-CB 3.7Å; L633-F668 HydrophobicContact CD1-CD1 4.44Å; L633-F668 HydrophobicContact CD1-CD2 4.08Å; L633-F668 HydrophobicContact CD1-CG 3.83Å; L633-F668 HydrophobicContact CD2-CD1 4.45Å; I664-F668 WeakPolarHBondContact O-CB 3.44Å; I664-F668 PolarHBondContact O-N 3.31Å; I665-F668 WeakPolarHBondContact O-CB 3.41Å; I665-F668 PolarHBondContact O-N 3.28Å; I665-F668 VanDerWaalsContact O-N 3.13Å; L666-F668 VanDerWaalsContact C-N 3.31Å; L666-F668 PolarHBondContact O-N 3.09Å; F668-Y670 PolarHBondContact O-N 2.81Å; F668-T671 PolarHBondContact O-N 3.41Å; F668-F672 AromaticContact CD2-CD2 3.47Å; F668-F672 HydrophobicContact CD2-CD2 3.47Å; F668-F672 VanDerWaalsContact CD2-CD2 3.47Å; F668-F672 AromaticContact CD2-CE2 3.62Å; F668-F672 HydrophobicContact CD2-CE2 3.62Å; F668-F672 AromaticContact CE2-CD2 3.4Å; F668-F672 HydrophobicContact CE2-CD2 3.4Å; F668-F672 AromaticContact CE2-CE2 3.56Å; F668-F672 HydrophobicContact CE2-CE2 3.56Å; F668-F672 HydrophobicContact CE2-CG 4.3Å; F668-F672 HydrophobicContact CG-CD2 4.22Å; F668-F672 HydrophobicContact CZ-CD2 4.11Å; F668-F672 WeakPolarHBondContact O-CD2 3.32Å; F668-F672 PolarHBondContact O-N 3.5Å
669V89.6Confident80.4Confident16 Ų1673.6 Ų73.610%0.09737%0.372CS..Hα-helixtrans-58.6-47.9175.4173.90000111I665 L666 T671 A673I665-V669 HydrophobicContact CG2-CG2 4.45Å; I665-V669 WeakPolarHBondContact O-CG2 3.43Å; I665-V669 PolarHBondContact O-N 3.33Å; L666-V669 PolarHBondContact O-N 2.92Å; V669-T671 VanDerWaalsContact C-N 3.3Å; V669-T671 PolarHBondContact O-N 2.98Å; V669-A673 CarbonylContact O-C 3.58Å; V669-A673 VanDerWaalsContact O-CA 3.3Å; V669-A673 WeakPolarHBondContact O-CA 3.28Å; V669-A673 WeakPolarHBondContact O-CB 3.44Å; V669-A673 PolarHBondContact O-N 2.89Å
670Y87.5Confident78.3Confident187 Ų18772.1 Ų72.173%0.73336%0.364SS*.Hα-helixtrans-60.2-39.9178.6-174.6-95.6000112.6L666 R667 F668L666-Y670 WeakPolarHBondContact O-CB 3.38Å; L666-Y670 PolarHBondContact O-N 2.82Å; R667-Y670 PolarHBondContact O-N 3.49Å; F668-Y670 PolarHBondContact O-N 2.81Å
671T86.8Confident75.6Confident82 Ų8271.3 Ų71.350%0.50337%0.369SS..Hα-helixtrans-71.4-43.4-176.5-56.10000112.4R667 F668 V669R667-T671 WeakPolarHBondContact O-CB 3.46Å; R667-T671 PolarHBondContact O-N 3.35Å; R667-T671 PolarHBondContact O-OG1 3.09Å; F668-T671 PolarHBondContact O-N 3.41Å; V669-T671 VanDerWaalsContact C-N 3.3Å; V669-T671 PolarHBondContact O-N 2.98Å
672F83.1Confident72.7Confident77 Ų7779 Ų7934%0.33840%0.404SS..Hα-helixtrans-103.7-17.1-171.6-66.7-78.6000113.9A570 R573 A574 F668 P674A570-F672 HydrophobicContact CB-CB 3.78Å; R573-F672 WeakPolarHBondContact CD-O 3.34Å; R573-F672 PolarHBondContact NH1-O 2.87Å; R573-F672 VanDerWaalsContact NH1-O 3.14Å; A574-F672 HydrophobicContact CB-CD1 3.86Å; A574-F672 HydrophobicContact CB-CD2 4.43Å; A574-F672 HydrophobicContact CB-CE1 4.03Å; A574-F672 HydrophobicContact CB-CG 4.07Å; A574-F672 HydrophobicContact CB-CZ 4.4Å; F668-F672 AromaticContact CD2-CD2 3.47Å; F668-F672 HydrophobicContact CD2-CD2 3.47Å; F668-F672 VanDerWaalsContact CD2-CD2 3.47Å; F668-F672 AromaticContact CD2-CE2 3.62Å; F668-F672 HydrophobicContact CD2-CE2 3.62Å; F668-F672 AromaticContact CE2-CD2 3.4Å; F668-F672 HydrophobicContact CE2-CD2 3.4Å; F668-F672 AromaticContact CE2-CE2 3.56Å; F668-F672 HydrophobicContact CE2-CE2 3.56Å; F668-F672 HydrophobicContact CE2-CG 4.3Å; F668-F672 HydrophobicContact CG-CD2 4.22Å; F668-F672 HydrophobicContact CZ-CD2 4.11Å; F668-F672 WeakPolarHBondContact O-CD2 3.32Å; F668-F672 PolarHBondContact O-N 3.5Å; F672-P674 VanDerWaalsContact C-CD 3.46Å
673A82Confident69.7Low4 Ų488.5 Ų88.53%0.03345%0.448CS..  trans-129.457.3176.900000113M569 A570 V669 G675 A676M569-A673 HydrophobicContact CB-CB 4Å; A570-A673 HydrophobicContact CB-CB 4.09Å; V669-A673 CarbonylContact O-C 3.58Å; V669-A673 VanDerWaalsContact O-CA 3.3Å; V669-A673 WeakPolarHBondContact O-CA 3.28Å; V669-A673 WeakPolarHBondContact O-CB 3.44Å; V669-A673 PolarHBondContact O-N 2.89Å; A673-G675 PolarHBondContact O-N 2.62Å; A673-G675 VanDerWaalsContact O-N 3.17Å; A673-A676 PolarHBondContact O-N 3.1Å
674P66.9Low68.5Low82 Ų8287 Ų8753%0.53244%0.443SS..THydrogen-bonded Turntrans-63.5121.5175.327.8-33.6000109.1F672F672-P674 VanDerWaalsContact C-CD 3.46Å
675G61.4Low67.2Low39 Ų3987.4 Ų87.440%0.40245%0.445SS..THydrogen-bonded Turntrans99.112.5-177.800000115.8A673 D677 A678 Y679A673-G675 PolarHBondContact O-N 2.62Å; A673-G675 VanDerWaalsContact O-N 3.17Å; G675-D677 PolarHBondContact O-N 3.47Å; G675-A678 PolarHBondContact O-N 3.16Å; G675-Y679 WeakPolarHBondContact O-CD2 3.41Å
676A57.2Low65.8Low18 Ų1892.2 Ų92.215%0.14947%0.47CS..G310 helixtrans-48.5-29.5174.100000113.5A673 A678 Y679 I680A673-A676 PolarHBondContact O-N 3.1Å; A676-A678 VanDerWaalsContact C-N 3.31Å; A676-A678 PolarHBondContact O-N 3.32Å; A676-Y679 PolarHBondContact O-N 3.44Å; A676-I680 WeakPolarHBondContact O-CD1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.39Å
677D50.7Low64.3Low101 Ų10194.1 Ų94.154%0.5448%0.479SS..G310 helixtrans-58.7-32.1172.6-76.2-50.2000115.3K562 G675K562-D677 WeakPolarHBondContact CD-OD1 3.47Å; K562-D677 WeakPolarHBondContact CE-OD1 3.35Å; K562-D677 VanDerWaalsContact CE-OD2 3.3Å; K562-D677 WeakPolarHBondContact CE-OD2 3.46Å; K562-D677 IonicContact NZ-OD1 2.78Å; K562-D677 PolarHBondContact NZ-OD1 3.1Å; K562-D677 IonicContact NZ-OD2 3.62Å; K562-D677 PolarHBondContact NZ-OD2 3.41Å; G675-D677 PolarHBondContact O-N 3.47Å
678A49.8Very low62.6Low71 Ų7187.9 Ų87.959%0.58746%0.463SS*.G310 helixtrans-89.9-17.4-174.900000113.7G675 A676 T681G675-A678 PolarHBondContact O-N 3.16Å; A676-A678 VanDerWaalsContact C-N 3.31Å; A676-A678 PolarHBondContact O-N 3.32Å; A678-T681 PolarHBondContact O-OG1 3.05Å
679Y50Low60.8Low150 Ų15093.1 Ų93.159%0.58849%0.491SS*.SBendtrans-91.5-4.3-177.3-66.9-82.9000113.5G675 A676 T681G675-Y679 WeakPolarHBondContact O-CD2 3.41Å; A676-Y679 PolarHBondContact O-N 3.44Å; Y679-T681 PolarHBondContact O-N 3.36Å
680I47.8Very low58.7Low51 Ų5198.6 Ų98.626%0.26252%0.519SS..THydrogen-bonded Turntrans-73.6-14-176.4-65.6164.4000112.2K561 K562 A676K561-I680 HydrophobicContact CD-CG2 4.31Å; K562-I680 HydrophobicContact CB-CD1 3.99Å; K562-I680 HydrophobicContact CG-CD1 4.19Å; A676-I680 WeakPolarHBondContact O-CD1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.39Å
681T36.7Very low56.5Low124 Ų12491.8 Ų91.876%0.76150%0.503SS*.THydrogen-bonded Turntrans-97-3.1-174.642.90000115.6A678 Y679A678-T681 PolarHBondContact O-OG1 3.05Å; Y679-T681 PolarHBondContact O-N 3.36Å
682E31.4Very low54Low175 Ų17592.6 Ų92.682%0.81850%0.503SS*.  trans-118.614.5-173.8-73.8-167161.800116
683E31.1Very low51.4Low219 Ų21994 Ų94100%1.02352%0.518SS*.  trans-1210169.9-77.7-173.2166.300113.1

Retrieved 683 of 683 residues in 587.4 ms (Link to these results)

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