G4VGF0_SCHMA Loading...

NTR domain-containing protein

AlphaFold DB , UniProt , Accession G4VGF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 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
1M62.8Low77.3Confident222 Ų222147.5 Ų147.5100%1.09466%0.662SS**  0-34.30-72.2-173.2113.800115.1K3 F4M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.46Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-F4 VanDerWaalsContact O-N 3.17Å
2K71.5Confident77.5Confident182 Ų182140.7 Ų140.779%0.79164%0.644SS**Hα-helixtrans-55-35.4-177.5-74-175.9175.7-179.70115.7F4 Y5 Y6K2-F4 VanDerWaalsContact C-N 3.33Å; K2-F4 PolarHBondContact O-N 3.17Å; K2-Y5 PolarHBondContact O-N 3.1Å; K2-Y6 PolarHBondContact O-N 3.26Å
3K73.7Confident77.8Confident191 Ų191134.7 Ų134.783%0.8363%0.625SS**Hα-helixtrans-63.7-33.2179.1-78.6-173.6174.7-178.40114M1 Y7M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.46Å; K3-Y7 PolarHBondContact O-N 3.5Å
4F77.4Confident77.9Confident158 Ų158135.4 Ų135.469%0.69363%0.625SS**Hα-helixtrans-73.2-33.9-178.8-149.3-93.9000111.7M1 K2 Y6 Y7 I8M1-F4 PolarHBondContact O-N 3.18Å; M1-F4 VanDerWaalsContact O-N 3.17Å; K2-F4 VanDerWaalsContact C-N 3.33Å; K2-F4 PolarHBondContact O-N 3.17Å; F4-Y6 PolarHBondContact O-N 3.45Å; F4-Y7 PolarHBondContact O-N 3.38Å; F4-I8 HydrophobicContact CD1-CD1 3.88Å; F4-I8 HydrophobicContact CD1-CG1 4.4Å; F4-I8 HydrophobicContact CE1-CD1 4.07Å; F4-I8 PolarHBondContact O-N 3.39Å
5Y79.9Confident78Confident169 Ų169136.5 Ų136.566%0.66363%0.628SS**Hα-helixtrans-65.1-39177.4-154.2-93.3000112.2K2 Y7 I8 L9K2-Y5 PolarHBondContact O-N 3.1Å; Y5-Y7 VanDerWaalsContact C-N 3.34Å; Y5-Y7 PolarHBondContact O-N 3.41Å; Y5-I8 PolarHBondContact O-N 3.47Å; Y5-L9 HydrophobicContact CD1-CD1 3.76Å; Y5-L9 HydrophobicContact CE1-CD1 3.75Å; Y5-L9 PolarHBondContact O-N 3.24Å; Y5-L9 VanDerWaalsContact O-N 3.1Å
6Y79.5Confident77.9Confident164 Ų164132.6 Ų132.664%0.64362%0.617SS**Hα-helixtrans-63.5-38.3174.3-90.8-80.2000112.6K2 F4 I8 L9 I10K2-Y6 PolarHBondContact O-N 3.26Å; F4-Y6 PolarHBondContact O-N 3.45Å; Y6-I8 PolarHBondContact O-N 2.99Å; Y6-L9 PolarHBondContact O-N 3.5Å; Y6-I10 VanDerWaalsContact O-CG1 3.26Å; Y6-I10 WeakPolarHBondContact O-CG1 3.5Å; Y6-I10 PolarHBondContact O-N 2.8Å
7Y79Confident77.7Confident164 Ų164130.7 Ų130.764%0.64361%0.611SS**Hα-helixtrans-65.2-40.7179-128.6-83.7000112.1K3 F4 Y5 I10 I11K3-Y7 PolarHBondContact O-N 3.5Å; F4-Y7 PolarHBondContact O-N 3.38Å; Y5-Y7 VanDerWaalsContact C-N 3.34Å; Y5-Y7 PolarHBondContact O-N 3.41Å; Y7-I10 PolarHBondContact O-N 3.26Å; Y7-I11 HydrophobicContact CD1-CD1 4.08Å; Y7-I11 WeakPolarHBondContact O-CG1 3.26Å; Y7-I11 PolarHBondContact O-N 3.42Å; Y7-I11 VanDerWaalsContact O-N 3.11Å
8I80.6Confident77.6Confident99 Ų99131.6 Ų131.651%0.50861%0.613SS.*Hα-helixtrans-66.5-41.8177-64.9172.3000111F4 Y5 Y6 I11 S12F4-I8 HydrophobicContact CD1-CD1 3.88Å; F4-I8 HydrophobicContact CD1-CG1 4.4Å; F4-I8 HydrophobicContact CE1-CD1 4.07Å; F4-I8 PolarHBondContact O-N 3.39Å; Y5-I8 PolarHBondContact O-N 3.47Å; Y6-I8 PolarHBondContact O-N 2.99Å; I8-I11 PolarHBondContact O-N 3.47Å; I8-S12 WeakPolarHBondContact O-CB 3.35Å; I8-S12 PolarHBondContact O-N 3.38Å
9L80.7Confident77.2Confident84 Ų84129.5 Ų129.544%0.4461%0.605SS.*Hα-helixtrans-61.1-43.8175.5-95.9160.7000112Y5 Y6 I11 S12 T13Y5-L9 HydrophobicContact CD1-CD1 3.76Å; Y5-L9 HydrophobicContact CE1-CD1 3.75Å; Y5-L9 PolarHBondContact O-N 3.24Å; Y5-L9 VanDerWaalsContact O-N 3.1Å; Y6-L9 PolarHBondContact O-N 3.5Å; L9-I11 PolarHBondContact O-N 3.38Å; L9-S12 WeakPolarHBondContact O-CB 3.39Å; L9-S12 PolarHBondContact O-N 3.11Å; L9-T13 WeakPolarHBondContact O-CG2 3.37Å; L9-T13 PolarHBondContact O-N 2.95Å; L9-T13 PolarHBondContact O-OG1 2.99Å
10I82.2Confident76.8Confident87 Ų87129.7 Ų129.745%0.44661%0.606SS.*Hα-helixtrans-61.5-46.3178-68.7165.4000110.7Y6 Y7 S12 T13 F14Y6-I10 VanDerWaalsContact O-CG1 3.26Å; Y6-I10 WeakPolarHBondContact O-CG1 3.5Å; Y6-I10 PolarHBondContact O-N 2.8Å; Y7-I10 PolarHBondContact O-N 3.26Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.29Å; I10-T13 PolarHBondContact O-N 3.48Å; I10-T13 PolarHBondContact O-OG1 2.98Å; I10-F14 HydrophobicContact CG2-CD2 4Å; I10-F14 HydrophobicContact CG2-CE2 4.3Å; I10-F14 PolarHBondContact O-N 2.95Å
11I82.7Confident76.4Confident103 Ų103127.2 Ų127.253%0.52860%0.6SS.*Hα-helixtrans-62.5-40.7178.3-66167.4000111.3Y7 I8 L9 F14 K15Y7-I11 HydrophobicContact CD1-CD1 4.08Å; Y7-I11 WeakPolarHBondContact O-CG1 3.26Å; Y7-I11 PolarHBondContact O-N 3.42Å; Y7-I11 VanDerWaalsContact O-N 3.11Å; I8-I11 PolarHBondContact O-N 3.47Å; L9-I11 PolarHBondContact O-N 3.38Å; I11-F14 PolarHBondContact O-N 2.86Å; I11-K15 WeakPolarHBondContact O-CB 3.42Å; I11-K15 PolarHBondContact O-N 3.4Å
12S80.5Confident76.5Confident65 Ų65119.5 Ų119.546%0.45557%0.565SS.*Hα-helixtrans-61.7-45.3176.5169.40000112.3I8 L9 I10 K15 T16I8-S12 WeakPolarHBondContact O-CB 3.35Å; I8-S12 PolarHBondContact O-N 3.38Å; L9-S12 WeakPolarHBondContact O-CB 3.39Å; L9-S12 PolarHBondContact O-N 3.11Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.29Å; S12-K15 PolarHBondContact O-N 2.96Å; S12-T16 PolarHBondContact O-N 3.28Å; S12-T16 VanDerWaalsContact O-N 3.09Å; S12-T16 PolarHBondContact O-OG1 2.89Å
13T80.4Confident75.9Confident63 Ų63117.4 Ų117.439%0.38756%0.556SS.*Hα-helixtrans-65.9-40.4177.357.70000112.3L9 I10 K15 T16 I17L9-T13 WeakPolarHBondContact O-CG2 3.37Å; L9-T13 PolarHBondContact O-N 2.95Å; L9-T13 PolarHBondContact O-OG1 2.99Å; I10-T13 PolarHBondContact O-N 3.48Å; I10-T13 PolarHBondContact O-OG1 2.98Å; T13-K15 VanDerWaalsContact C-N 3.33Å; T13-K15 PolarHBondContact O-N 3.43Å; T13-T16 WeakPolarHBondContact CA-OG1 3.2Å; T13-T16 PolarHBondContact O-N 3.38Å; T13-T16 PolarHBondContact O-OG1 3.42Å; T13-I17 WeakPolarHBondContact O-CB 3.43Å; T13-I17 WeakPolarHBondContact O-CD1 3.41Å; T13-I17 WeakPolarHBondContact O-CG1 3.28Å; T13-I17 PolarHBondContact O-N 3.22Å
14F79.2Confident75.1Confident145 Ų145113.6 Ų113.664%0.63654%0.544SS*.Hα-helixtrans-63-40.1175.3-101.2-84.8000112.2I10 I11 I17 F18I10-F14 HydrophobicContact CG2-CD2 4Å; I10-F14 HydrophobicContact CG2-CE2 4.3Å; I10-F14 PolarHBondContact O-N 2.95Å; I11-F14 PolarHBondContact O-N 2.86Å; F14-I17 PolarHBondContact O-N 3.43Å; F14-F18 VanDerWaalsContact O-CB 3.32Å; F14-F18 WeakPolarHBondContact O-CB 3.36Å; F14-F18 PolarHBondContact O-N 3.09Å
15K80Confident74Confident151 Ų151109.1 Ų109.166%0.65753%0.53SS*.Hα-helixtrans-67.3-39.8179.7-154.5178.6-175.6-177.10111.9I11 S12 T13 I19I11-K15 WeakPolarHBondContact O-CB 3.42Å; I11-K15 PolarHBondContact O-N 3.4Å; S12-K15 PolarHBondContact O-N 2.96Å; T13-K15 VanDerWaalsContact C-N 3.33Å; T13-K15 PolarHBondContact O-N 3.43Å; K15-I19 HydrophobicContact CG-CD1 4.41Å; K15-I19 WeakPolarHBondContact O-CD1 3.32Å; K15-I19 WeakPolarHBondContact O-CG1 3.42Å; K15-I19 PolarHBondContact O-N 3.35Å
16T76.4Confident72.5Confident75 Ų75105.1 Ų105.146%0.4652%0.523SS..Hα-helixtrans-69.8-40.1176.635.60000112.3S12 T13 I19 H20S12-T16 PolarHBondContact O-N 3.28Å; S12-T16 VanDerWaalsContact O-N 3.09Å; S12-T16 PolarHBondContact O-OG1 2.89Å; T13-T16 WeakPolarHBondContact CA-OG1 3.2Å; T13-T16 PolarHBondContact O-N 3.38Å; T13-T16 PolarHBondContact O-OG1 3.42Å; T16-I19 PolarHBondContact O-N 3.01Å; T16-H20 PolarHBondContact O-N 3.44Å
17I75Confident71Confident100 Ų100102.7 Ų102.751%0.51352%0.521SS..Hα-helixtrans-63.1-44.7173.6-67.1164.8000110.5T13 F14 I19 H20 V21T13-I17 WeakPolarHBondContact O-CB 3.43Å; T13-I17 WeakPolarHBondContact O-CD1 3.41Å; T13-I17 WeakPolarHBondContact O-CG1 3.28Å; T13-I17 PolarHBondContact O-N 3.22Å; F14-I17 PolarHBondContact O-N 3.43Å; I17-I19 PolarHBondContact O-N 2.85Å; I17-H20 PolarHBondContact O-N 2.93Å; I17-V21 HydrophobicContact CG2-CG2 4.18Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 3.04Å
18F75.2Confident69.5Low146 Ų14699.9 Ų99.964%0.6452%0.517SS*.Hα-helixtrans-64-39.7179.7-158.7-91.3000112.2F14 V21 T22F14-F18 VanDerWaalsContact O-CB 3.32Å; F14-F18 WeakPolarHBondContact O-CB 3.36Å; F14-F18 PolarHBondContact O-N 3.09Å; F18-V21 PolarHBondContact O-N 3.43Å; F18-T22 HydrophobicContact CD1-CG2 4.01Å; F18-T22 HydrophobicContact CE1-CG2 3.84Å; F18-T22 WeakPolarHBondContact O-CG2 3.29Å; F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 PolarHBondContact O-OG1 3.25Å
19I70.6Confident67.5Low92 Ų92103.2 Ų103.247%0.47253%0.528SS..Hα-helixtrans-65-41.1174.9-67.5164.3000111.1K15 T16 I17 T22 K23K15-I19 HydrophobicContact CG-CD1 4.41Å; K15-I19 WeakPolarHBondContact O-CD1 3.32Å; K15-I19 WeakPolarHBondContact O-CG1 3.42Å; K15-I19 PolarHBondContact O-N 3.35Å; T16-I19 PolarHBondContact O-N 3.01Å; I17-I19 PolarHBondContact O-N 2.85Å; I19-T22 WeakPolarHBondContact CA-OG1 3.33Å; I19-T22 PolarHBondContact O-OG1 3.46Å; I19-K23 PolarHBondContact O-N 2.84Å; I19-K23 VanDerWaalsContact O-N 3.12Å
20H68.2Low65.4Low133 Ų133107.5 Ų107.562%0.61655%0.545SS*.Hα-helixtrans-68.3-39.2176.3-97.8-67.9000113T16 I17 K23 L24T16-H20 PolarHBondContact O-N 3.44Å; I17-H20 PolarHBondContact O-N 2.93Å; H20-K23 PolarHBondContact O-N 3.12Å; H20-L24 WeakPolarHBondContact O-CB 3.47Å; H20-L24 PolarHBondContact O-N 3.1Å
21V69.8Low63.4Low79 Ų79108.5 Ų108.548%0.47956%0.556SS.*Hα-helixtrans-66.1-42.2176.9172.90000110.6I17 F18 K23 L24 T25I17-V21 HydrophobicContact CG2-CG2 4.18Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 3.04Å; F18-V21 PolarHBondContact O-N 3.43Å; V21-K23 PolarHBondContact O-N 3.46Å; V21-L24 PolarHBondContact O-N 2.92Å; V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact O-CG2 3.47Å; V21-T25 PolarHBondContact O-N 3.42Å; V21-T25 PolarHBondContact O-OG1 3.07Å; V21-T25 VanDerWaalsContact O-OG1 3.04Å
22T64.8Low61.1Low60 Ų60107.7 Ų107.737%0.36856%0.559SS.*Hα-helixtrans-62.4-42.3176.551.60000112.2F18 I19 T25 T26F18-T22 HydrophobicContact CD1-CG2 4.01Å; F18-T22 HydrophobicContact CE1-CG2 3.84Å; F18-T22 WeakPolarHBondContact O-CG2 3.29Å; F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 PolarHBondContact O-OG1 3.25Å; I19-T22 WeakPolarHBondContact CA-OG1 3.33Å; I19-T22 PolarHBondContact O-OG1 3.46Å; T22-T25 WeakPolarHBondContact CA-OG1 3.43Å; T22-T25 PolarHBondContact O-N 2.84Å; T22-T25 PolarHBondContact O-OG1 3.37Å; T22-T26 PolarHBondContact O-N 3.06Å; T22-T26 PolarHBondContact O-OG1 2.92Å
23K57.7Low58.6Low138 Ų138110.9 Ų110.960%0.658%0.58SS**Hα-helixtrans-61.6-44.6172.7-102.2-175.4173.7-176.80112.8I19 H20 V21 T25 T26 D27I19-K23 PolarHBondContact O-N 2.84Å; I19-K23 VanDerWaalsContact O-N 3.12Å; H20-K23 PolarHBondContact O-N 3.12Å; V21-K23 PolarHBondContact O-N 3.46Å; K23-T25 VanDerWaalsContact C-N 3.32Å; K23-T25 PolarHBondContact O-N 3.44Å; K23-T26 WeakPolarHBondContact CA-OG1 3.21Å; K23-T26 PolarHBondContact O-N 3.03Å; K23-T26 PolarHBondContact O-OG1 2.9Å; K23-D27 PolarHBondContact O-N 3.42Å; K23-D27 VanDerWaalsContact O-N 3.1Å
24L56.9Low56.3Low111 Ų111115.8 Ų115.858%0.58160%0.598SS**Hα-helixtrans-65.8-37.2179.3-143.887.7000111.2H20 V21 D27 L28H20-L24 WeakPolarHBondContact O-CB 3.47Å; H20-L24 PolarHBondContact O-N 3.1Å; V21-L24 PolarHBondContact O-N 2.92Å; L24-D27 PolarHBondContact O-N 2.91Å; L24-L28 HydrophobicContact CD2-CD1 3.87Å; L24-L28 HydrophobicContact CG-CD1 3.74Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CD1 3.29Å; L24-L28 WeakPolarHBondContact O-CD1 3.2Å; L24-L28 PolarHBondContact O-N 3.35Å
25T54.4Low54.3Low63 Ų63115 Ų11539%0.38761%0.605SS.*Hα-helixtrans-70.1-37.9176.752.70000112.2V21 T22 K23 D27 L28 F29V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact O-CG2 3.47Å; V21-T25 PolarHBondContact O-N 3.42Å; V21-T25 PolarHBondContact O-OG1 3.07Å; V21-T25 VanDerWaalsContact O-OG1 3.04Å; T22-T25 WeakPolarHBondContact CA-OG1 3.43Å; T22-T25 PolarHBondContact O-N 2.84Å; T22-T25 PolarHBondContact O-OG1 3.37Å; K23-T25 VanDerWaalsContact C-N 3.32Å; K23-T25 PolarHBondContact O-N 3.44Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.04Å; T25-L28 PolarHBondContact O-N 3.5Å; T25-F29 WeakPolarHBondContact O-CB 3.35Å; T25-F29 WeakPolarHBondContact O-CD2 3.46Å; T25-F29 PolarHBondContact O-N 3.46Å
26T48.6Very low52.1Low85 Ų85114.9 Ų114.952%0.52161%0.611SS.*Hα-helixtrans-67.6-31.8175.741.50000112.8T22 K23T22-T26 PolarHBondContact O-N 3.06Å; T22-T26 PolarHBondContact O-OG1 2.92Å; K23-T26 WeakPolarHBondContact CA-OG1 3.21Å; K23-T26 PolarHBondContact O-N 3.03Å; K23-T26 PolarHBondContact O-OG1 2.9Å
27D48.9Very low50.2Low114 Ų114115.2 Ų115.261%0.6162%0.617SS**Hα-helixtrans-83.1-29.9178-69.8-21.1000112.9K23 L24 T25 T31K23-D27 PolarHBondContact O-N 3.42Å; K23-D27 VanDerWaalsContact O-N 3.1Å; L24-D27 PolarHBondContact O-N 2.91Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.04Å; D27-T31 PolarHBondContact O-OG1 3Å; D27-T31 VanDerWaalsContact O-OG1 3.07Å
28L46Very low48.1Very low105 Ų105116.8 Ų116.855%0.5563%0.633SS.*Hα-helixtrans-78.6-28.4175-96.6115.1000113.9L24 T25 H30 T31L24-L28 HydrophobicContact CD2-CD1 3.87Å; L24-L28 HydrophobicContact CG-CD1 3.74Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CD1 3.29Å; L24-L28 WeakPolarHBondContact O-CD1 3.2Å; L24-L28 PolarHBondContact O-N 3.35Å; T25-L28 PolarHBondContact O-N 3.5Å; L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 PolarHBondContact O-N 3.43Å; L28-T31 PolarHBondContact O-OG1 3Å
29F40.2Very low46.3Very low168 Ų168120.6 Ų120.674%0.73764%0.643SS**THydrogen-bonded Turntrans-76.8-13.3178.3-87.2-70.7000114T25T25-F29 WeakPolarHBondContact O-CB 3.35Å; T25-F29 WeakPolarHBondContact O-CD2 3.46Å; T25-F29 PolarHBondContact O-N 3.46Å
30H36.6Very low44.6Very low175 Ų175127.1 Ų127.181%0.8166%0.662SS**THydrogen-bonded Turntrans-95.1-2.6176.5-101.9-72.4000114.8L28L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 PolarHBondContact O-N 3.43Å
31T40.3Very low43Very low108 Ų108128.3 Ų128.366%0.66367%0.671SS**SBendtrans-114.99.1-172.741.20000115.2D27 L28D27-T31 PolarHBondContact O-OG1 3Å; D27-T31 VanDerWaalsContact O-OG1 3.07Å; L28-T31 PolarHBondContact O-OG1 3Å
32S32.7Very low41.4Very low86 Ų86134.1 Ų134.160%0.60169%0.685SS**  trans-128.766.1-179.5700000113.9
33C29.1Very low40Very low131 Ų131137.8 Ų137.889%0.88570%0.702SS**  trans-134.370.7153.2-86.60000108.8V35C33-V35 PolarHBondContact O-N 3.38Å
34H32.7Very low39.1Very low167 Ų167137.8 Ų137.877%0.77371%0.708SS**  trans-63.7111.2158.5-102.8-80.6000108.7
35V36.2Very low38.5Very low128 Ų128136.6 Ų136.678%0.77670%0.702SS**  trans-129.7107150.9-179.60000107.2C33 S37C33-V35 PolarHBondContact O-N 3.38Å; V35-S37 PolarHBondContact O-N 3.2Å
36N33.4Very low38.1Very low149 Ų149141.4 Ų141.480%0.79772%0.72SS**  trans-62.9118.2170.9-70.2-25.8000109.5
37S36.4Very low37.8Very low82 Ų82143.9 Ų143.957%0.57373%0.726SS**  trans-144.6114.8162.31670000107.7V35 R39V35-S37 PolarHBondContact O-N 3.2Å; S37-R39 PolarHBondContact O-N 2.76Å; S37-R39 VanDerWaalsContact O-N 3.13Å
38P31.9Very low37.7Very low133 Ų133142.7 Ų142.786%0.86472%0.723SS**  trans-82.694.3178.132.7-28.5000108
39R37.8Very low37.5Very low225 Ų225144.2 Ų144.285%0.84973%0.73SS**  trans-123.698.9167.2-85.2-173.5178.1170.50.8110.3S37 I41S37-R39 PolarHBondContact O-N 2.76Å; S37-R39 VanDerWaalsContact O-N 3.13Å; R39-I41 PolarHBondContact O-N 3.22Å
40R34.8Very low37.4Very low229 Ų229144 Ų14486%0.86473%0.733SS**  trans14.397.2158.1-74.6-179.5173.5176.9-3.3114.5R42R40-R42 PolarHBondContact O-N 2.85Å
41I34.1Very low37.7Very low158 Ų158142.6 Ų142.681%0.8173%0.731SS**  trans-59.395.2150.1-59.7167.5000105.3R39 N43R39-I41 PolarHBondContact O-N 3.22Å; I41-N43 PolarHBondContact O-N 3.3Å
42R36.9Very low37.5Very low201 Ų201144 Ų14476%0.75873%0.732SS**  trans-66.9113.3161.3-85.3-178.5173.1164.9-2.5104.7R40 L44R40-R42 PolarHBondContact O-N 2.85Å; R42-L44 PolarHBondContact O-N 3.29Å
43N35.4Very low37.8Very low138 Ų138145.6 Ų145.674%0.73873%0.734SS**  trans-51.389.9154.5-71.1-25.3000106.6I41 D45I41-N43 PolarHBondContact O-N 3.3Å; N43-D45 VanDerWaalsContact C-N 3.32Å; N43-D45 PolarHBondContact O-N 2.91Å
44L37.8Very low38.4Very low137 Ų137148.5 Ų148.572%0.71773%0.731SS**  trans-81.796.3166.7-137.484.4000104R42R42-L44 PolarHBondContact O-N 3.29Å
45D44.1Very low38.7Very low86 Ų86147.9 Ų147.946%0.4673%0.734SS.*  trans-43.4135.8-166-83.8-49.7000114N43 Q47 T48N43-D45 VanDerWaalsContact C-N 3.32Å; N43-D45 PolarHBondContact O-N 2.91Å; D45-Q47 HydrophobicContact CB-CB 3.89Å; D45-Q47 HydrophobicContact CB-CG 4.44Å; D45-Q47 PolarHBondContact O-N 3.27Å; D45-T48 PolarHBondContact O-N 3.3Å; D45-T48 PolarHBondContact O-OG1 3.13Å
46Q47.2Very low38.9Very low165 Ų165145.4 Ų145.477%0.77172%0.722SS**Hα-helixtrans-50.7-15.2159.4-72.1167.6-39.200112.5M50Q46-M50 WeakPolarHBondContact O-CG 3.47Å; Q46-M50 PolarHBondContact O-N 2.89Å
47Q41.8Very low39Very low136 Ų136142.4 Ų142.464%0.63670%0.702SS**Hα-helixtrans-74.7-30171.2-63.1180-22.700114.1D45 I49D45-Q47 HydrophobicContact CB-CB 3.89Å; D45-Q47 HydrophobicContact CB-CG 4.44Å; D45-Q47 PolarHBondContact O-N 3.27Å; Q47-I49 VanDerWaalsContact C-N 3.31Å
48T45.4Very low39Very low89 Ų89142.9 Ų142.955%0.54670%0.703SS.*Hα-helixtrans-73.4-29.3171.9-27.70000111.1D45 M50D45-T48 PolarHBondContact O-N 3.3Å; D45-T48 PolarHBondContact O-OG1 3.13Å; T48-M50 VanDerWaalsContact C-N 3.34Å
49I43.8Very low39.4Very low137 Ų137138.6 Ų138.670%0.70368%0.676SS**Hα-helixtrans-77.3-18.3178.8-62.4172.4000112Q47Q47-I49 VanDerWaalsContact C-N 3.31Å
50M37.7Very low39.8Very low164 Ų164129.7 Ų129.781%0.80865%0.647SS**THydrogen-bonded Turntrans-94.9-9.7176.8-79.7-179.552.400114.9Q46 T48Q46-M50 WeakPolarHBondContact O-CG 3.47Å; Q46-M50 PolarHBondContact O-N 2.89Å; T48-M50 VanDerWaalsContact C-N 3.34Å
51L42.1Very low40.3Very low146 Ų146122.3 Ų122.376%0.76463%0.625SS**SBendtrans-94.6-1.7-173.9-96.7158.1000115.3
52M36.7Very low40.8Very low137 Ų137117.4 Ų117.468%0.67560%0.603SS**SBendtrans-104.892.4173.1-66.4-156.6-177.700110.7K54M52-K54 PolarHBondContact O-N 2.92Å
53N37.7Very low41.4Very low119 Ų119112.6 Ų112.664%0.63659%0.592SS**  trans-48.8129.4174-153.2-10.1000110.1N55 S56N53-N55 PolarHBondContact O-N 3.05Å; N53-S56 PolarHBondContact O-N 2.74Å; N53-S56 PolarHBondContact O-OG 3.17Å
54K41.9Very low41.9Very low192 Ų192111.9 Ų111.984%0.83558%0.583SS**THydrogen-bonded Turntrans-57.2-6.5-172.1-137.1174.7-177.8-1790114.8M52M52-K54 PolarHBondContact O-N 2.92Å
55N39.2Very low42.5Very low154 Ų154106.6 Ų106.682%0.82455%0.553SS**THydrogen-bonded Turntrans-113.25.6-176.3-64.8-15.1000114.1N53N53-N55 PolarHBondContact O-N 3.05Å
56S41.4Very low42.8Very low77 Ų77109.8 Ų109.854%0.53856%0.563SS.*  trans-126.917-174.769.90000115.2N53 P58N53-S56 PolarHBondContact O-N 2.74Å; N53-S56 PolarHBondContact O-OG 3.17Å; S56-P58 WeakPolarHBondContact O-CD 3.47Å
57K35.3Very low43.2Very low86 Ų86102 Ų10237%0.37453%0.527SS..  trans-75.6109.7169.4-73.4-166.5175-163.40108.8C59 K128K57-C59 PolarHBondContact O-N 3.11Å; K57-K128 PolarHBondContact NZ-O 3.33Å
58P35.1Very low44Very low92 Ų92100.6 Ų100.660%0.59752%0.516SS*.  trans-71.1127.5178.729.4-31.6000109.1S56 C60S56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-C60 PolarHBondContact O-N 3.12Å; P58-C60 VanDerWaalsContact O-N 3.09Å
59C40.5Very low45.1Very low42 Ų4296.8 Ų96.828%0.28449%0.492SS..  trans-55.8119.1164-570000107.8K57 L61 C131K57-C59 PolarHBondContact O-N 3.11Å; C59-L61 PolarHBondContact O-N 2.94Å; C59-C131 HydrophobicContact CB-CB 4.34Å
60C45.8Very low46.5Very low38 Ų3894.5 Ų94.526%0.25748%0.475SS..SBendtrans-64-11.5-171.2-600000114.2P58 F240P58-C60 PolarHBondContact O-N 3.12Å; P58-C60 VanDerWaalsContact O-N 3.09Å; C60-F240 HydrophobicContact CB-CE1 4.22Å
61L46.1Very low48.3Very low74 Ų7486.7 Ų86.739%0.38744%0.437SS..SBendtrans-121.8134.7178.7-63.1173.8000110.3C59 I90 I105C59-L61 PolarHBondContact O-N 2.94Å; L61-I90 HydrophobicContact CB-CD1 3.5Å; L61-I90 VanDerWaalsContact CB-CD1 3.5Å; L61-I90 HydrophobicContact CD1-CD1 4.1Å; L61-I90 HydrophobicContact CG-CD1 4.41Å; L61-I105 HydrophobicContact CD1-CD1 3.69Å
62P44.5Very low50.4Low55 Ų5584.6 Ų84.636%0.35742%0.421SS..  trans-68.9142.4176.429.7-35.2000110.8K64 W65 I90P62-K64 WeakPolarHBondContact CB-O 3.26Å; P62-K64 PolarHBondContact O-N 3.32Å; P62-W65 HydrophobicContact CG-CB 4.28Å; P62-I90 VanDerWaalsContact O-CD1 3.24Å; P62-I90 WeakPolarHBondContact O-CD1 3.35Å
63N48.9Very low52.6Low100 Ų10079 Ų7954%0.53540%0.395SS..SBendtrans-53.6-20.5175.8-68.3-9.9000113.8Y89 I90 H92N63-Y89 CarbonylContact O-C 3.58Å; N63-Y89 WeakPolarHBondContact O-CA 3.19Å; N63-I90 PolarHBondContact O-N 3.32Å; N63-H92 PolarHBondContact OD1-CD2 2.64Å; N63-H92 VanDerWaalsContact OD1-CD2 3.31Å
64K47.3Very low54.9Low124 Ų12475.6 Ų75.654%0.53938%0.376SS..EExtended strand (participates in β ladder)trans-135.9134.9171.7-55.8-176-166.8-169.50109.1P62 F88 Y89P62-K64 WeakPolarHBondContact CB-O 3.26Å; P62-K64 PolarHBondContact O-N 3.32Å; K64-F88 CarbonylContact C-O 3.56Å; K64-F88 VanDerWaalsContact CA-O 3.27Å; K64-F88 WeakPolarHBondContact CA-O 3.22Å; K64-Y89 HydrophobicContact CD-CD1 3.75Å; K64-Y89 HydrophobicContact CD-CE1 3.33Å; K64-Y89 HydrophobicContact CG-CD1 3.62Å; K64-Y89 HydrophobicContact CG-CE1 3.79Å; K64-Y89 HydrophobicContact CG-CG 4.22Å; K64-Y89 VanDerWaalsContact NZ-CE1 3.3Å
65W49.6Very low57Low25 Ų2572.8 Ų72.810%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-135148.3169.355.2-86.2000109.7P62 S67 F88 L104 F236P62-W65 HydrophobicContact CG-CB 4.28Å; W65-S67 VanDerWaalsContact CZ3-CB 3.47Å; W65-S67 VanDerWaalsContact CZ3-OG 3.29Å; W65-S67 WeakPolarHBondContact CZ3-OG 3.4Å; W65-F88 HydrophobicContact CD2-CB 3.77Å; W65-F88 HydrophobicContact CD2-CD2 4.39Å; W65-F88 HydrophobicContact CD2-CG 4.37Å; W65-F88 AromaticContact CE2-CG 3.95Å; W65-F88 HydrophobicContact CE3-CB 4.12Å; W65-F88 AromaticContact CE3-CD2 3.86Å; W65-F88 HydrophobicContact CE3-CD2 3.86Å; W65-F88 HydrophobicContact CE3-CG 4.26Å; W65-F88 HydrophobicContact CG-CB 4.41Å; W65-F88 HydrophobicContact CH2-CB 3.47Å; W65-F88 VanDerWaalsContact CH2-CB 3.47Å; W65-F88 AromaticContact CH2-CD1 3.65Å; W65-F88 HydrophobicContact CH2-CD1 3.65Å; W65-F88 AromaticContact CH2-CD2 3.1Å; W65-F88 HydrophobicContact CH2-CD2 3.1Å; W65-F88 HydrophobicContact CH2-CE1 4.13Å; W65-F88 AromaticContact CH2-CE2 3.68Å; W65-F88 HydrophobicContact CH2-CE2 3.68Å; W65-F88 AromaticContact CH2-CG 3.08Å; W65-F88 HydrophobicContact CH2-CG 3.08Å; W65-F88 HydrophobicContact CH2-CZ 4.14Å; W65-F88 HydrophobicContact CZ2-CB 3.19Å; W65-F88 AromaticContact CZ2-CD1 3.86Å; W65-F88 HydrophobicContact CZ2-CD1 3.86Å; W65-F88 AromaticContact CZ2-CD2 3.84Å; W65-F88 HydrophobicContact CZ2-CD2 3.84Å; W65-F88 AromaticContact CZ2-CG 3.35Å; W65-F88 HydrophobicContact CZ2-CG 3.35Å; W65-F88 HydrophobicContact CZ3-CB 3.95Å; W65-F88 AromaticContact CZ3-CD2 3.16Å; W65-F88 HydrophobicContact CZ3-CD2 3.16Å; W65-F88 AromaticContact CZ3-CE2 3.74Å; W65-F88 HydrophobicContact CZ3-CE2 3.74Å; W65-F88 AromaticContact CZ3-CG 3.63Å; W65-F88 HydrophobicContact CZ3-CG 3.63Å; W65-F88 PolarHBondContact N-O 2.9Å; W65-F88 PolarHBondContact O-N 3.44Å; W65-L104 VanDerWaalsContact CH2-C 3.43Å; W65-L104 HydrophobicContact CH2-CB 4.07Å; W65-L104 WeakPolarHBondContact CH2-O 3.18Å; W65-L104 VanDerWaalsContact CZ2-O 3.28Å; W65-L104 WeakPolarHBondContact CZ2-O 3.04Å; W65-L104 WeakPolarHBondContact CZ3-O 3.18Å; W65-F236 HydrophobicContact CD2-CD1 4.36Å; W65-F236 AromaticContact CD2-CE1 4Å; W65-F236 HydrophobicContact CD2-CE1 4Å; W65-F236 AromaticContact CE3-CD1 3.65Å; W65-F236 HydrophobicContact CE3-CD1 3.65Å; W65-F236 AromaticContact CE3-CE1 3.12Å; W65-F236 HydrophobicContact CE3-CE1 3.12Å; W65-F236 AromaticContact CE3-CZ 3.84Å; W65-F236 HydrophobicContact CE3-CZ 3.84Å; W65-F236 AromaticContact CH2-CE1 3.67Å; W65-F236 HydrophobicContact CH2-CE1 3.67Å; W65-F236 HydrophobicContact CH2-CZ 4.02Å; W65-F236 HydrophobicContact CZ2-CE1 4.35Å; W65-F236 AromaticContact CZ3-CD1 3.94Å; W65-F236 HydrophobicContact CZ3-CD1 3.94Å; W65-F236 AromaticContact CZ3-CE1 2.94Å; W65-F236 HydrophobicContact CZ3-CE1 2.94Å; W65-F236 HydrophobicContact CZ3-CE2 4.45Å; W65-F236 AromaticContact CZ3-CZ 3.27Å; W65-F236 HydrophobicContact CZ3-CZ 3.27Å
66K50.1Low58.8Low153 Ų15369 Ų6967%0.66536%0.361SS*.EExtended strand (participates in β ladder)trans-101.7146.9176-66.8-179.2-179.21770108G86 T87K66-G86 CarbonylContact C-O 2.82Å; K66-G86 WeakPolarHBondContact CA-O 3.48Å; K66-T87 HydrophobicContact CG-CG2 4.24Å
67S56Low60.5Low2 Ų268 Ų681%0.01436%0.363CS..EExtended strand (participates in β ladder)trans-140.3162.1167.759.60000111.4W65 F69 H85 G86 F88W65-S67 VanDerWaalsContact CZ3-CB 3.47Å; W65-S67 VanDerWaalsContact CZ3-OG 3.29Å; W65-S67 WeakPolarHBondContact CZ3-OG 3.4Å; S67-F69 WeakPolarHBondContact OG-CE2 3.44Å; S67-H85 WeakPolarHBondContact O-CA 3.18Å; S67-G86 PolarHBondContact N-O 3.23Å; S67-G86 PolarHBondContact O-N 3.49Å; S67-F88 WeakPolarHBondContact OG-CE2 3.26Å
68R59.3Low62.5Low107 Ų10772.6 Ų72.640%0.40438%0.378SS..EExtended strand (participates in β ladder)trans-129.4136.8176.1-39.7166.576.5171.14.2108.5L83 D84 H85 I232 T235R68-L83 HydrophobicContact CB-CD1 4.29Å; R68-D84 CarbonylContact C-O 3.51Å; R68-D84 VanDerWaalsContact CA-O 3.29Å; R68-D84 WeakPolarHBondContact CA-O 3.33Å; R68-H85 PolarHBondContact NE-CE1 3.24Å; R68-H85 PolarHBondContact NE-ND1 2.9Å; R68-H85 PolarHBondContact NH2-CE1 3.37Å; R68-H85 PolarHBondContact NH2-NE2 2.87Å; R68-I232 HydrophobicContact CB-CB 4.38Å; R68-I232 HydrophobicContact CB-CD1 3.88Å; R68-I232 PolarHBondContact O-N 2.86Å; R68-T235 HydrophobicContact CB-CG2 3.69Å; R68-T235 HydrophobicContact CG-CG2 3.55Å
69F68Low64.8Low9 Ų976.7 Ų76.74%0.03938%0.383CS..EExtended strand (participates in β ladder)trans-122.9133.9178.4-66-80.9000109.4S67 V71 D84 F88 L104 V106 Y229 I230 P231 F236S67-F69 WeakPolarHBondContact OG-CE2 3.44Å; F69-V71 HydrophobicContact CB-CG2 4.02Å; F69-V71 PolarHBondContact O-N 3.42Å; F69-D84 PolarHBondContact N-O 3Å; F69-D84 PolarHBondContact O-N 3.23Å; F69-F88 HydrophobicContact CE2-CE2 4.35Å; F69-F88 HydrophobicContact CE2-CZ 4.42Å; F69-L104 HydrophobicContact CD2-CD2 4.36Å; F69-L104 HydrophobicContact CE1-CD2 4.03Å; F69-L104 HydrophobicContact CE2-CD2 3.42Å; F69-L104 VanDerWaalsContact CE2-CD2 3.42Å; F69-L104 HydrophobicContact CE2-CG 4.35Å; F69-L104 HydrophobicContact CZ-CD2 3.24Å; F69-L104 HydrophobicContact CZ-CG 3.8Å; F69-V106 HydrophobicContact CE1-CB 4Å; F69-V106 HydrophobicContact CE1-CG1 4.17Å; F69-V106 HydrophobicContact CE1-CG2 3.63Å; F69-V106 HydrophobicContact CZ-CB 4.13Å; F69-V106 HydrophobicContact CZ-CG2 3.55Å; F69-Y229 HydrophobicContact CB-CD1 4.3Å; F69-I230 CarbonylContact C-O 3.5Å; F69-I230 WeakPolarHBondContact CA-O 3.31Å; F69-P231 HydrophobicContact CD1-CB 4.41Å; F69-P231 HydrophobicContact CE1-CB 4.08Å; F69-F236 HydrophobicContact CZ-CE2 4.37Å; F69-F236 HydrophobicContact CZ-CZ 4.17Å
70Y72.9Confident66.8Low89 Ų8980.5 Ų80.535%0.34940%0.395SS..EExtended strand (participates in β ladder)trans-79114.1159.6-170.2-87000108.2K72 S81 I230Y70-K72 HydrophobicContact CD1-CD 4.42Å; Y70-K72 HydrophobicContact CD1-CG 3.85Å; Y70-K72 HydrophobicContact CE1-CD 3.94Å; Y70-K72 HydrophobicContact CE1-CG 3.42Å; Y70-K72 VanDerWaalsContact CE1-CG 3.42Å; Y70-S81 WeakPolarHBondContact OH-CB 3.31Å; Y70-S81 PolarHBondContact OH-OG 2.91Å; Y70-I230 PolarHBondContact N-O 2.79Å; Y70-I230 PolarHBondContact O-N 3.23Å
71V76.7Confident68.5Low0 Ų082.2 Ų82.20%041%0.408CS..EExtended strand (participates in β ladder)trans-105.1119.3-175.8-174.60000109.4F69 S81 R82 D84 T228 Y229F69-V71 HydrophobicContact CB-CG2 4.02Å; F69-V71 PolarHBondContact O-N 3.42Å; V71-S81 CarbonylContact O-C 3.59Å; V71-S81 VanDerWaalsContact O-CA 3.29Å; V71-S81 WeakPolarHBondContact O-CA 3.39Å; V71-R82 HydrophobicContact CB-CG 4.03Å; V71-R82 PolarHBondContact N-O 2.71Å; V71-R82 PolarHBondContact O-N 3.39Å; V71-D84 HydrophobicContact CG2-CB 3.76Å; V71-T228 CarbonylContact C-O 3.56Å; V71-T228 VanDerWaalsContact CA-O 3.31Å; V71-T228 WeakPolarHBondContact CA-O 3.33Å; V71-Y229 HydrophobicContact CB-CD1 4.44Å; V71-Y229 HydrophobicContact CB-CE1 4.49Å; V71-Y229 HydrophobicContact CG1-CD1 4.21Å; V71-Y229 HydrophobicContact CG1-CE1 3.92Å; V71-Y229 HydrophobicContact CG2-CD1 3.52Å; V71-Y229 HydrophobicContact CG2-CE1 3.72Å; V71-Y229 HydrophobicContact CG2-CG 4.43Å
72K84.4Confident70.1Confident101 Ų10185.2 Ų85.244%0.43941%0.414SS..EExtended strand (participates in β ladder)trans-104.4122.5170.1-66-177.6178.7-176.90108.9Y70 F80 Q227 T228Y70-K72 HydrophobicContact CD1-CD 4.42Å; Y70-K72 HydrophobicContact CD1-CG 3.85Å; Y70-K72 HydrophobicContact CE1-CD 3.94Å; Y70-K72 HydrophobicContact CE1-CG 3.42Å; Y70-K72 VanDerWaalsContact CE1-CG 3.42Å; K72-F80 CarbonylContact C-O 3.53Å; K72-F80 WeakPolarHBondContact CA-O 3.29Å; K72-Q227 CarbonylContact O-C 3.56Å; K72-Q227 WeakPolarHBondContact O-CA 3.32Å; K72-T228 PolarHBondContact N-O 2.83Å; K72-T228 PolarHBondContact O-N 3.47Å
73T84.6Confident71.2Confident20 Ų2086 Ų8612%0.12342%0.415CS..EExtended strand (participates in β ladder)trans-110.5132.9173.3-570000109.5F80 E226 Q227T73-F80 PolarHBondContact N-O 2.73Å; T73-F80 PolarHBondContact O-N 2.79Å; T73-E226 CarbonylContact C-O 3.57Å; T73-E226 WeakPolarHBondContact CA-O 3.36Å; T73-Q227 HydrophobicContact CG2-CG 3.81Å; T73-Q227 WeakPolarHBondContact OG1-CG 3.33Å; T73-Q227 PolarHBondContact OG1-NE2 2.9Å
74I86.1Confident71.8Confident47 Ų4783.6 Ų83.624%0.24140%0.402CS..EExtended strand (participates in β ladder)trans-117.2121.2172.1-52.2174.8000107.3R78 Y79 R225 E226I74-R78 WeakPolarHBondContact CA-O 3.33Å; I74-Y79 HydrophobicContact CD1-CD1 3.96Å; I74-Y79 HydrophobicContact CD1-CE1 3.46Å; I74-Y79 VanDerWaalsContact CD1-CE1 3.46Å; I74-Y79 HydrophobicContact CG1-CD1 3.65Å; I74-Y79 HydrophobicContact CG1-CE1 3.66Å; I74-Y79 HydrophobicContact CG2-CE1 4.31Å; I74-R225 WeakPolarHBondContact O-CA 3.32Å; I74-E226 HydrophobicContact CB-CB 4.38Å; I74-E226 PolarHBondContact N-O 3.19Å; I74-E226 PolarHBondContact O-N 3.2Å
75K84.6Confident72.3Confident133 Ų13383.3 Ų83.358%0.57840%0.402SS*.EExtended strand (participates in β ladder)trans-140.9116.4176.6-174.5-177.8176.7-1760109.4G77 R78 R225K75-G77 VanDerWaalsContact C-N 3.29Å; K75-G77 PolarHBondContact O-N 3.03Å; K75-R78 PolarHBondContact N-O 3.18Å; K75-R78 PolarHBondContact O-N 3.04Å; K75-R78 VanDerWaalsContact O-N 3.11Å; K75-R225 HydrophobicContact CB-CG 4.48Å
76G77.6Confident72.3Confident74 Ų7483 Ų8376%0.76341%0.407SS*.THydrogen-bonded Turntrans5641.3-179.900000113.4R78G76-R78 PolarHBondContact O-N 2.97Å
77G76.3Confident72.1Confident57 Ų5779 Ų7959%0.58840%0.395SS*.THydrogen-bonded Turntrans77.4-9.7-178.200000115.7K75 Y79K75-G77 VanDerWaalsContact C-N 3.29Å; K75-G77 PolarHBondContact O-N 3.03Å; G77-Y79 WeakPolarHBondContact O-CD2 3.34Å; G77-Y79 WeakPolarHBondContact O-CE2 3.23Å
78R78.3Confident71.7Confident183 Ų18380.7 Ų80.769%0.69140%0.402SS*.EExtended strand (participates in β ladder)trans-83.5132.6174.8-62.7-176.3-179.1175.6-0.2110.6I74 K75 G76 F80I74-R78 WeakPolarHBondContact CA-O 3.33Å; K75-R78 PolarHBondContact N-O 3.18Å; K75-R78 PolarHBondContact O-N 3.04Å; K75-R78 VanDerWaalsContact O-N 3.11Å; G76-R78 PolarHBondContact O-N 2.97Å; R78-F80 HydrophobicContact CB-CD2 4.39Å; R78-F80 HydrophobicContact CB-CE2 3.52Å; R78-F80 HydrophobicContact CB-CZ 3.9Å
79Y83.7Confident70.9Confident178 Ų17882.4 Ų82.470%0.69841%0.41SS*.EExtended strand (participates in β ladder)trans-101.8129178-65.5-93.8000109.9I74 G77I74-Y79 HydrophobicContact CD1-CD1 3.96Å; I74-Y79 HydrophobicContact CD1-CE1 3.46Å; I74-Y79 VanDerWaalsContact CD1-CE1 3.46Å; I74-Y79 HydrophobicContact CG1-CD1 3.65Å; I74-Y79 HydrophobicContact CG1-CE1 3.66Å; I74-Y79 HydrophobicContact CG2-CE1 4.31Å; G77-Y79 WeakPolarHBondContact O-CD2 3.34Å; G77-Y79 WeakPolarHBondContact O-CE2 3.23Å
80F81.9Confident69.8Low121 Ų12183 Ų8353%0.53141%0.413SS..EExtended strand (participates in β ladder)trans-128.5133.5173.8-58.9-83.3000109.1K72 T73 R78K72-F80 CarbonylContact C-O 3.53Å; K72-F80 WeakPolarHBondContact CA-O 3.29Å; T73-F80 PolarHBondContact N-O 2.73Å; T73-F80 PolarHBondContact O-N 2.79Å; R78-F80 HydrophobicContact CB-CD2 4.39Å; R78-F80 HydrophobicContact CB-CE2 3.52Å; R78-F80 HydrophobicContact CB-CZ 3.9Å
81S82.5Confident68.4Low75 Ų7583.5 Ų83.552%0.52442%0.419SS..EExtended strand (participates in β ladder)trans-120.4138174.155.10000110.8Y70 V71Y70-S81 WeakPolarHBondContact OH-CB 3.31Å; Y70-S81 PolarHBondContact OH-OG 2.91Å; V71-S81 CarbonylContact O-C 3.59Å; V71-S81 VanDerWaalsContact O-CA 3.29Å; V71-S81 WeakPolarHBondContact O-CA 3.39Å
82R78.3Confident66.8Low137 Ų13784.8 Ų84.852%0.51743%0.425SS..EExtended strand (participates in β ladder)trans-144.4162172.369.2179.7-169.6179.15.6110.9V71 D84V71-R82 HydrophobicContact CB-CG 4.03Å; V71-R82 PolarHBondContact N-O 2.71Å; V71-R82 PolarHBondContact O-N 3.39Å; R82-D84 IonicContact CZ-OD1 3.67Å; R82-D84 IonicContact CZ-OD2 3.24Å; R82-D84 VanDerWaalsContact CZ-OD2 3.28Å; R82-D84 IonicContact NE-OD1 3.6Å; R82-D84 IonicContact NE-OD2 3.13Å; R82-D84 PolarHBondContact NE-OD2 2.84Å; R82-D84 VanDerWaalsContact NE-OD2 3.13Å; R82-D84 IonicContact NH2-OD1 3.63Å; R82-D84 IonicContact NH2-OD2 3.59Å; R82-D84 PolarHBondContact NH2-OD2 2.8Å
83L68.6Low64.8Low72 Ų7286.5 Ų86.538%0.37743%0.434SS..EExtended strand (participates in β ladder)trans-94.9117.4167.9-176.967.5000108.3R68 H85 I232R68-L83 HydrophobicContact CB-CD1 4.29Å; L83-H85 WeakPolarHBondContact CD2-NE2 3.49Å; L83-I232 HydrophobicContact CD1-CD1 3.02Å; L83-I232 HydrophobicContact CD1-CG1 4.48Å; L83-I232 HydrophobicContact CG-CD1 4.48Å
84D61.3Low62.7Low49 Ų4990.3 Ų90.326%0.26245%0.449SS..EExtended strand (participates in β ladder)trans-100144.4170.8-101.2-27.2000110.5R68 F69 V71 R82R68-D84 CarbonylContact C-O 3.51Å; R68-D84 VanDerWaalsContact CA-O 3.29Å; R68-D84 WeakPolarHBondContact CA-O 3.33Å; F69-D84 PolarHBondContact N-O 3Å; F69-D84 PolarHBondContact O-N 3.23Å; V71-D84 HydrophobicContact CG2-CB 3.76Å; R82-D84 IonicContact CZ-OD1 3.67Å; R82-D84 IonicContact CZ-OD2 3.24Å; R82-D84 VanDerWaalsContact CZ-OD2 3.28Å; R82-D84 IonicContact NE-OD1 3.6Å; R82-D84 IonicContact NE-OD2 3.13Å; R82-D84 PolarHBondContact NE-OD2 2.84Å; R82-D84 VanDerWaalsContact NE-OD2 3.13Å; R82-D84 IonicContact NH2-OD1 3.63Å; R82-D84 IonicContact NH2-OD2 3.59Å; R82-D84 PolarHBondContact NH2-OD2 2.8Å
85H58.4Low60.5Low117 Ų11793.8 Ų93.854%0.54247%0.468SS..EExtended strand (participates in β ladder)trans-118.7127.2174.6-66.3-117.1000108.2S67 R68 L83S67-H85 WeakPolarHBondContact O-CA 3.18Å; R68-H85 PolarHBondContact NE-CE1 3.24Å; R68-H85 PolarHBondContact NE-ND1 2.9Å; R68-H85 PolarHBondContact NH2-CE1 3.37Å; R68-H85 PolarHBondContact NH2-NE2 2.87Å; L83-H85 WeakPolarHBondContact CD2-NE2 3.49Å
86G49.6Very low58.4Low19 Ų1996.2 Ų96.220%0.19648%0.482CS..EExtended strand (participates in β ladder)trans-119.6136.4173.700000110.1K66 S67K66-G86 CarbonylContact C-O 2.82Å; K66-G86 WeakPolarHBondContact CA-O 3.48Å; S67-G86 PolarHBondContact N-O 3.23Å; S67-G86 PolarHBondContact O-N 3.49Å
87T44.7Very low56.6Low69 Ų6996.8 Ų96.842%0.42347%0.474SS..EExtended strand (participates in β ladder)trans-102.5119.3161.8-54.90000106.8K66 Y89K66-T87 HydrophobicContact CG-CG2 4.24Å; T87-Y89 HydrophobicContact CG2-CD2 4.4Å; T87-Y89 HydrophobicContact CG2-CE2 3.79Å
88F47.2Very low54.4Low38 Ų38104.5 Ų104.517%0.16749%0.487CS..EExtended strand (participates in β ladder)trans-107.3137.1-177.8-65.9-96.2000108.4K64 W65 S67 F69 L104K64-F88 CarbonylContact C-O 3.56Å; K64-F88 VanDerWaalsContact CA-O 3.27Å; K64-F88 WeakPolarHBondContact CA-O 3.22Å; W65-F88 HydrophobicContact CD2-CB 3.77Å; W65-F88 HydrophobicContact CD2-CD2 4.39Å; W65-F88 HydrophobicContact CD2-CG 4.37Å; W65-F88 AromaticContact CE2-CG 3.95Å; W65-F88 HydrophobicContact CE3-CB 4.12Å; W65-F88 AromaticContact CE3-CD2 3.86Å; W65-F88 HydrophobicContact CE3-CD2 3.86Å; W65-F88 HydrophobicContact CE3-CG 4.26Å; W65-F88 HydrophobicContact CG-CB 4.41Å; W65-F88 HydrophobicContact CH2-CB 3.47Å; W65-F88 VanDerWaalsContact CH2-CB 3.47Å; W65-F88 AromaticContact CH2-CD1 3.65Å; W65-F88 HydrophobicContact CH2-CD1 3.65Å; W65-F88 AromaticContact CH2-CD2 3.1Å; W65-F88 HydrophobicContact CH2-CD2 3.1Å; W65-F88 HydrophobicContact CH2-CE1 4.13Å; W65-F88 AromaticContact CH2-CE2 3.68Å; W65-F88 HydrophobicContact CH2-CE2 3.68Å; W65-F88 AromaticContact CH2-CG 3.08Å; W65-F88 HydrophobicContact CH2-CG 3.08Å; W65-F88 HydrophobicContact CH2-CZ 4.14Å; W65-F88 HydrophobicContact CZ2-CB 3.19Å; W65-F88 AromaticContact CZ2-CD1 3.86Å; W65-F88 HydrophobicContact CZ2-CD1 3.86Å; W65-F88 AromaticContact CZ2-CD2 3.84Å; W65-F88 HydrophobicContact CZ2-CD2 3.84Å; W65-F88 AromaticContact CZ2-CG 3.35Å; W65-F88 HydrophobicContact CZ2-CG 3.35Å; W65-F88 HydrophobicContact CZ3-CB 3.95Å; W65-F88 AromaticContact CZ3-CD2 3.16Å; W65-F88 HydrophobicContact CZ3-CD2 3.16Å; W65-F88 AromaticContact CZ3-CE2 3.74Å; W65-F88 HydrophobicContact CZ3-CE2 3.74Å; W65-F88 AromaticContact CZ3-CG 3.63Å; W65-F88 HydrophobicContact CZ3-CG 3.63Å; W65-F88 PolarHBondContact N-O 2.9Å; W65-F88 PolarHBondContact O-N 3.44Å; S67-F88 WeakPolarHBondContact OG-CE2 3.26Å; F69-F88 HydrophobicContact CE2-CE2 4.35Å; F69-F88 HydrophobicContact CE2-CZ 4.42Å; F88-L104 HydrophobicContact CD1-CB 4.3Å; F88-L104 HydrophobicContact CE1-CB 3.73Å; F88-L104 HydrophobicContact CE1-CD2 4.33Å; F88-L104 HydrophobicContact CZ-CB 4.07Å; F88-L104 HydrophobicContact CZ-CD2 3.92Å
89Y42.4Very low52.1Low143 Ų143102.9 Ų102.956%0.56149%0.492SS*.EExtended strand (participates in β ladder)trans-108127.9-179.1-68.9-110.8000107N63 K64 T87N63-Y89 CarbonylContact O-C 3.58Å; N63-Y89 WeakPolarHBondContact O-CA 3.19Å; K64-Y89 HydrophobicContact CD-CD1 3.75Å; K64-Y89 HydrophobicContact CD-CE1 3.33Å; K64-Y89 HydrophobicContact CG-CD1 3.62Å; K64-Y89 HydrophobicContact CG-CE1 3.79Å; K64-Y89 HydrophobicContact CG-CG 4.22Å; K64-Y89 VanDerWaalsContact NZ-CE1 3.3Å; T87-Y89 HydrophobicContact CG2-CD2 4.4Å; T87-Y89 HydrophobicContact CG2-CE2 3.79Å
90I45.6Very low49.6Very low22 Ų2298.1 Ų98.111%0.11348%0.478CS..  trans-90.9104.3167.8-48.5-176.2000105.7L61 P62 N63 H92 L103L61-I90 HydrophobicContact CB-CD1 3.5Å; L61-I90 VanDerWaalsContact CB-CD1 3.5Å; L61-I90 HydrophobicContact CD1-CD1 4.1Å; L61-I90 HydrophobicContact CG-CD1 4.41Å; P62-I90 VanDerWaalsContact O-CD1 3.24Å; P62-I90 WeakPolarHBondContact O-CD1 3.35Å; N63-I90 PolarHBondContact O-N 3.32Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.37Å; I90-H92 WeakPolarHBondContact CG2-NE2 3.3Å; I90-L103 HydrophobicContact CG1-CD1 4.23Å
91Q43Very low47Very low98 Ų9898.9 Ų98.946%0.45849%0.488SS..  trans-91.1106.6172-177170.3-17.100108.4Q93Q91-Q93 HydrophobicContact CG-CB 4.4Å; Q91-Q93 PolarHBondContact NE2-O 3.1Å; Q91-Q93 PolarHBondContact O-N 3.19Å
92H43Very low44.5Very low28 Ų2897.1 Ų97.113%0.1348%0.478CS..  trans-80.89.7177.5-64.7-78.9000113.2N63 I90 N133 D134N63-H92 PolarHBondContact OD1-CD2 2.64Å; N63-H92 VanDerWaalsContact OD1-CD2 3.31Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.37Å; I90-H92 WeakPolarHBondContact CG2-NE2 3.3Å; H92-N133 HydrophobicContact CB-CB 4.14Å; H92-D134 IonicContact CE1-OD1 2.79Å; H92-D134 IonicContact CG-OD1 3.12Å; H92-D134 IonicContact ND1-OD1 3.35Å; H92-D134 PolarHBondContact ND1-OD1 2.84Å
93Q42.2Very low42.4Very low136 Ų13692.5 Ų92.564%0.63646%0.464SS*.  trans-119.6127.2-169.2-86.4-179.4-24.800114.9Q91 N95Q91-Q93 HydrophobicContact CG-CB 4.4Å; Q91-Q93 PolarHBondContact NE2-O 3.1Å; Q91-Q93 PolarHBondContact O-N 3.19Å; Q93-N95 PolarHBondContact O-N 3.07Å
94F42Very low40.8Very low100 Ų10089.9 Ų89.944%0.43945%0.45SS..  trans-54.1109.5156.3-106.6-96.7000110S135 K137F94-S135 WeakPolarHBondContact CD2-OG 3.33Å; F94-S135 VanDerWaalsContact CE2-CB 3.43Å; F94-S135 WeakPolarHBondContact CE2-OG 3.24Å; F94-K137 HydrophobicContact CE1-CD 4.2Å; F94-K137 HydrophobicContact CE2-CB 3.77Å; F94-K137 HydrophobicContact CE2-CD 4.42Å; F94-K137 HydrophobicContact CE2-CG 4.15Å; F94-K137 HydrophobicContact CZ-CB 3.65Å; F94-K137 HydrophobicContact CZ-CD 3.5Å; F94-K137 HydrophobicContact CZ-CG 3.69Å
95N39.7Very low39.6Very low121 Ų12188.5 Ų88.565%0.64744%0.442SS*.  trans-140.3130.7148.6-91.6-23.5000106.6Q93 S97Q93-N95 PolarHBondContact O-N 3.07Å; N95-S97 PolarHBondContact O-N 3.11Å
96E40.1Very low38.4Very low184 Ų18483 Ų8386%0.8642%0.417SS*.  trans-69.220.4-169.2-63.3-178.8149.700114.5Y98E96-Y98 PolarHBondContact O-N 3.46Å
97S38.9Very low37.6Very low85 Ų8583.6 Ų83.659%0.59442%0.423SS*.  trans-89.1109.9173.664.30000110.6N95 N99N95-S97 PolarHBondContact O-N 3.11Å; S97-N99 PolarHBondContact O-N 3.04Å
98Y30.8Very low37.2Very low220 Ų22083.5 Ų83.586%0.86342%0.415SS*.SBendtrans-48.699.3164.4-75.6-97.1000110.1E96E96-Y98 PolarHBondContact O-N 3.46Å
99N29.4Very low36.6Very low149 Ų14984.2 Ų84.280%0.79742%0.421SS*.  trans165.175.1154.5-86.9-20.6000109.9S97S97-N99 PolarHBondContact O-N 3.04Å
100N31.8Very low36.3Very low77 Ų7778.1 Ų78.141%0.41240%0.398SS..  trans-143.291.2176.3-81.2-40.8000114.2
101N27.7Very low35.8Very low137 Ų13780.6 Ų80.673%0.73341%0.407SS*.  39.8128.6128.2-58.6-28.1000121.5
102A30.6Very low35.4Very low38 Ų3876.2 Ų76.231%0.31439%0.387SS..  trans-64.1141.5-178.200000115.5Y143 L144A102-Y143 HydrophobicContact CB-CD1 3.45Å; A102-Y143 VanDerWaalsContact CB-CD1 3.45Å; A102-Y143 HydrophobicContact CB-CE1 3.53Å; A102-L144 WeakPolarHBondContact CB-O 2.98Å
103L33.8Very low35.1Very low41 Ų4176 Ų7622%0.21539%0.388CS..  trans-98.9137.3168.4-171.369.8000107.8I90 G145 E146 P147I90-L103 HydrophobicContact CG1-CD1 4.23Å; L103-G145 CarbonylContact O-C 3.46Å; L103-G145 WeakPolarHBondContact O-CA 3.44Å; L103-E146 HydrophobicContact CB-CG 3.92Å; L103-E146 HydrophobicContact CD2-CG 4.12Å; L103-E146 VanDerWaalsContact O-CA 3.25Å; L103-E146 WeakPolarHBondContact O-CA 3.3Å; L103-E146 PolarHBondContact O-N 3.29Å; L103-E146 VanDerWaalsContact O-N 3.15Å; L103-P147 HydrophobicContact CB-CG 4.42Å; L103-P147 HydrophobicContact CD1-CG 4.31Å; L103-P147 HydrophobicContact CD2-CG 3.31Å; L103-P147 HydrophobicContact CG-CG 3.36Å
104L35.1Very low34.6Very low17 Ų1775.1 Ų75.19%0.08938%0.383CS..  trans-14076.8178.4178.163.2000112W65 F69 F88 V106 G145 L202W65-L104 VanDerWaalsContact CH2-C 3.43Å; W65-L104 HydrophobicContact CH2-CB 4.07Å; W65-L104 WeakPolarHBondContact CH2-O 3.18Å; W65-L104 VanDerWaalsContact CZ2-O 3.28Å; W65-L104 WeakPolarHBondContact CZ2-O 3.04Å; W65-L104 WeakPolarHBondContact CZ3-O 3.18Å; F69-L104 HydrophobicContact CD2-CD2 4.36Å; F69-L104 HydrophobicContact CE1-CD2 4.03Å; F69-L104 HydrophobicContact CE2-CD2 3.42Å; F69-L104 VanDerWaalsContact CE2-CD2 3.42Å; F69-L104 HydrophobicContact CE2-CG 4.35Å; F69-L104 HydrophobicContact CZ-CD2 3.24Å; F69-L104 HydrophobicContact CZ-CG 3.8Å; F88-L104 HydrophobicContact CD1-CB 4.3Å; F88-L104 HydrophobicContact CE1-CB 3.73Å; F88-L104 HydrophobicContact CE1-CD2 4.33Å; F88-L104 HydrophobicContact CZ-CB 4.07Å; F88-L104 HydrophobicContact CZ-CD2 3.92Å; L104-V106 HydrophobicContact CD1-CG2 3.51Å; L104-V106 HydrophobicContact CD2-CG2 4.29Å; L104-V106 HydrophobicContact CG-CG2 3.51Å; L104-V106 PolarHBondContact O-N 3.1Å; L104-G145 VanDerWaalsContact CA-O 3.22Å; L104-G145 WeakPolarHBondContact CA-O 3.44Å; L104-G145 VanDerWaalsContact CD1-O 3.32Å; L104-G145 WeakPolarHBondContact CD1-O 3.35Å; L104-L202 HydrophobicContact CD1-CD2 3.82Å
105I35.8Very low34Very low20 Ų2076 Ų7610%0.10339%0.388CS..  trans-79.4120.2176.5-67.7171.9000109.1L61 V110 P147L61-I105 HydrophobicContact CD1-CD1 3.69Å; I105-V110 HydrophobicContact CB-CG2 3.87Å; I105-V110 HydrophobicContact CG2-CG2 3.42Å; I105-V110 VanDerWaalsContact CG2-CG2 3.42Å; I105-P147 HydrophobicContact CB-CB 3.46Å; I105-P147 VanDerWaalsContact CB-CB 3.46Å; I105-P147 HydrophobicContact CB-CG 3.44Å; I105-P147 VanDerWaalsContact CB-CG 3.44Å; I105-P147 HydrophobicContact CD1-CB 3.49Å; I105-P147 VanDerWaalsContact CD1-CB 3.49Å; I105-P147 HydrophobicContact CD1-CG 3.21Å; I105-P147 HydrophobicContact CG1-CB 3.68Å; I105-P147 HydrophobicContact CG1-CG 3.2Å; I105-P147 HydrophobicContact CG2-CB 4.41Å
106V33.8Very low33.6Very low0 Ų073.1 Ų73.10%038%0.376CS..  trans-132.6130.3-179.3-161.30000108.7F69 L104 L202 P231 F236F69-V106 HydrophobicContact CE1-CB 4Å; F69-V106 HydrophobicContact CE1-CG1 4.17Å; F69-V106 HydrophobicContact CE1-CG2 3.63Å; F69-V106 HydrophobicContact CZ-CB 4.13Å; F69-V106 HydrophobicContact CZ-CG2 3.55Å; L104-V106 HydrophobicContact CD1-CG2 3.51Å; L104-V106 HydrophobicContact CD2-CG2 4.29Å; L104-V106 HydrophobicContact CG-CG2 3.51Å; L104-V106 PolarHBondContact O-N 3.1Å; V106-L202 HydrophobicContact CB-CB 4.46Å; V106-L202 HydrophobicContact CB-CD2 4.12Å; V106-L202 HydrophobicContact CG1-CB 3.77Å; V106-L202 HydrophobicContact CG1-CD2 3.68Å; V106-L202 HydrophobicContact CG1-CG 3.82Å; V106-L202 WeakPolarHBondContact CG1-O 2.94Å; V106-L202 HydrophobicContact CG2-CB 4.5Å; V106-L202 HydrophobicContact CG2-CD2 3.4Å; V106-L202 VanDerWaalsContact CG2-CD2 3.4Å; V106-L202 HydrophobicContact CG2-CG 4.39Å; V106-P231 HydrophobicContact CB-CB 3.95Å; V106-P231 HydrophobicContact CB-CG 4.47Å; V106-P231 HydrophobicContact CG1-CB 3.21Å; V106-P231 HydrophobicContact CG1-CG 3.26Å; V106-F236 HydrophobicContact CB-CE2 3.85Å; V106-F236 HydrophobicContact CB-CZ 3.72Å; V106-F236 HydrophobicContact CG2-CZ 4.06Å; V106-F236 WeakPolarHBondContact O-CD1 3.26Å; V106-F236 WeakPolarHBondContact O-CD2 3.36Å; V106-F236 WeakPolarHBondContact O-CE1 3.26Å; V106-F236 WeakPolarHBondContact O-CE2 3.41Å; V106-F236 WeakPolarHBondContact O-CG 3.2Å; V106-F236 WeakPolarHBondContact O-CZ 2.94Å
107G31.9Very low33.3Very low33 Ų3371 Ų7134%0.3437%0.371SS..SBendtrans92.48.2175.200000116.5
108R36.2Very low33.2Very low67 Ų6771.3 Ų71.325%0.25337%0.365SS..SBendtrans-144.7146.7163.6-68.1-170168.9-165.7-6.9111.5V110 F236 H238 F240R108-V110 WeakPolarHBondContact O-CG2 3.31Å; R108-V110 PolarHBondContact O-N 3.09Å; R108-F236 PolarHBondContact NE-O 3.29Å; R108-H238 VanDerWaalsContact NH1-C 3.33Å; R108-H238 VanDerWaalsContact NH1-CB 3.25Å; R108-H238 VanDerWaalsContact NH1-N 3.19Å; R108-H238 PolarHBondContact NH1-O 3.22Å; R108-H238 PolarHBondContact NH2-O 3.37Å; R108-F240 VanDerWaalsContact NH1-CD2 3.31Å
109N35.2Very low33.5Very low52 Ų5266.9 Ų66.928%0.27836%0.356SS..  trans-45.9122.2176.4-801.8000112.3L199 C200N109-L199 HydrophobicContact CB-CB 3.61Å; N109-L199 HydrophobicContact CB-CD1 3.77Å; N109-L199 HydrophobicContact CB-CD2 4.25Å; N109-L199 HydrophobicContact CB-CG 4.06Å; N109-L199 WeakPolarHBondContact ND2-CD1 3.28Å; N109-C200 CarbonylContact C-O 3.56Å; N109-C200 WeakPolarHBondContact CA-O 3.42Å
110V36.1Very low34.1Very low16 Ų1669.9 Ų69.910%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-115.3130175.3-168.80000110.3I105 R108 P147 R148 L199 C200I105-V110 HydrophobicContact CB-CG2 3.87Å; I105-V110 HydrophobicContact CG2-CG2 3.42Å; I105-V110 VanDerWaalsContact CG2-CG2 3.42Å; R108-V110 WeakPolarHBondContact O-CG2 3.31Å; R108-V110 PolarHBondContact O-N 3.09Å; V110-P147 HydrophobicContact CB-CB 3.96Å; V110-P147 WeakPolarHBondContact CB-O 3.41Å; V110-P147 VanDerWaalsContact CG1-C 3.46Å; V110-P147 HydrophobicContact CG1-CB 3.26Å; V110-P147 WeakPolarHBondContact CG1-O 3.26Å; V110-P147 HydrophobicContact CG2-CB 3.65Å; V110-P147 WeakPolarHBondContact CG2-O 3.32Å; V110-R148 HydrophobicContact CG1-CG 4.43Å; V110-L199 WeakPolarHBondContact O-CA 3.04Å; V110-C200 PolarHBondContact N-O 3.03Å; V110-C200 PolarHBondContact O-N 2.71Å
111Y35.4Very low35Very low74 Ų7471.8 Ų71.829%0.2937%0.373SS..EExtended strand (participates in β ladder)trans-55.2132.4176.3-59.2-85.9000113.5L199 L248Y111-L199 HydrophobicContact CD1-CD2 3.57Å; Y111-L199 HydrophobicContact CD2-CD2 4.37Å; Y111-L199 HydrophobicContact CE1-CD2 3.55Å; Y111-L199 HydrophobicContact CE2-CD2 4.31Å; Y111-L199 HydrophobicContact CG-CD2 3.96Å; Y111-L248 HydrophobicContact CE1-CD2 4.32Å; Y111-L248 HydrophobicContact CE2-CD2 3.75Å; Y111-L248 VanDerWaalsContact CZ-CD2 3.41Å; Y111-L248 VanDerWaalsContact OH-CB 3.26Å; Y111-L248 WeakPolarHBondContact OH-CB 3.4Å; Y111-L248 WeakPolarHBondContact OH-CD1 3.25Å; Y111-L248 WeakPolarHBondContact OH-CD2 3.35Å; Y111-L248 VanDerWaalsContact OH-CG 3.31Å; Y111-L248 WeakPolarHBondContact OH-CG 3.37Å
112S33.5Very low36.1Very low5 Ų567.9 Ų67.94%0.03535%0.352CS..  trans-63.3144.4164.9176.10000110.8E114 F115 G198S112-E114 PolarHBondContact O-N 2.83Å; S112-E114 WeakPolarHBondContact OG-CB 2.98Å; S112-E114 WeakPolarHBondContact OG-CG 3.39Å; S112-E114 PolarHBondContact OG-N 2.69Å; S112-E114 VanDerWaalsContact OG-N 3.11Å; S112-E114 PolarHBondContact OG-OE2 3.38Å; S112-F115 WeakPolarHBondContact O-CD2 3.17Å; S112-G198 VanDerWaalsContact CB-O 3.26Å; S112-G198 WeakPolarHBondContact CB-O 3.24Å; S112-G198 PolarHBondContact N-O 2.93Å; S112-G198 VanDerWaalsContact N-O 3.12Å
113T37.6Very low36.9Very low25 Ų2569 Ų6915%0.15335%0.351CS..G310 helixtrans-77.38170.255.80000112.6F115 C116T113-F115 PolarHBondContact O-N 3.41Å; T113-C116 WeakPolarHBondContact O-CA 3.47Å; T113-C116 VanDerWaalsContact O-CB 3.23Å; T113-C116 WeakPolarHBondContact O-CB 3.33Å; T113-C116 PolarHBondContact O-N 3.29Å
114E32Very low37.6Very low116 Ų11670.5 Ų70.554%0.54236%0.364SS..G310 helixtrans-60.7-25.5176.4-77.8159.6166.800112.2S112 C116 N117S112-E114 PolarHBondContact O-N 2.83Å; S112-E114 WeakPolarHBondContact OG-CB 2.98Å; S112-E114 WeakPolarHBondContact OG-CG 3.39Å; S112-E114 PolarHBondContact OG-N 2.69Å; S112-E114 VanDerWaalsContact OG-N 3.11Å; S112-E114 PolarHBondContact OG-OE2 3.38Å; E114-C116 PolarHBondContact O-N 3.11Å; E114-N117 PolarHBondContact O-N 3.24Å
115F28.8Very low38.1Very low120 Ų12073.7 Ų73.753%0.52638%0.381SS..G310 helixtrans-66.3-15.2170-60.2-72.9000114S112 T113S112-F115 WeakPolarHBondContact O-CD2 3.17Å; T113-F115 PolarHBondContact O-N 3.41Å
116C31.1Very low38.3Very low59 Ų5974.6 Ų74.640%0.39939%0.385SS..G310 helixtrans-89.90.3-179.2-57.30000113.5T113 E114 L118T113-C116 WeakPolarHBondContact O-CA 3.47Å; T113-C116 VanDerWaalsContact O-CB 3.23Å; T113-C116 WeakPolarHBondContact O-CB 3.33Å; T113-C116 PolarHBondContact O-N 3.29Å; E114-C116 PolarHBondContact O-N 3.11Å; C116-L118 VanDerWaalsContact C-N 3.28Å
117N34.6Very low38.9Very low141 Ų14179.4 Ų79.475%0.75441%0.411SS*.G310 helixtrans-89.916.1175.4-87.6-3.4000113.3E114E114-N117 PolarHBondContact O-N 3.24Å
118L35Very low39.6Very low91 Ų9184.8 Ų84.848%0.47643%0.425SS..SBendtrans-75.4133.2173.2-66.6169.7000109.7C116 D122 L126C116-L118 VanDerWaalsContact C-N 3.28Å; L118-D122 HydrophobicContact CB-CB 4.08Å; L118-L126 HydrophobicContact CB-CD1 4.26Å; L118-L126 HydrophobicContact CD1-CD1 4.14Å
119N37.6Very low39.9Very low127 Ų12786.1 Ų86.168%0.67943%0.433SS*.  trans-50.2151.8-177.5-83.3-30.7000112.3T121 D122N119-T121 PolarHBondContact O-N 3.28Å; N119-D122 PolarHBondContact O-N 3.15Å
120Y42.8Very low40.2Very low211 Ų21185.2 Ų85.283%0.82743%0.428SS*.THydrogen-bonded Turntrans-48.6-13.9-177.8-79-83.8000116.1H123Y120-H123 VanDerWaalsContact C-CD2 3.5Å; Y120-H123 AromaticContact CD1-NE2 3.72Å; Y120-H123 PolarHBondContact O-CD2 2.94Å
121T49.6Very low40.7Very low118 Ų11885.9 Ų85.972%0.72443%0.433SS*.THydrogen-bonded Turntrans-80.5-21.4176.147.70000114.5N119N119-T121 PolarHBondContact O-N 3.28Å
122D50.6Low41.2Very low55 Ų5586.6 Ų86.629%0.29445%0.447SS..THydrogen-bonded Turntrans-91.35.4-174.6-79.8-25.2000114.8L118 N119 S124 I125 L126L118-D122 HydrophobicContact CB-CB 4.08Å; N119-D122 PolarHBondContact O-N 3.15Å; D122-S124 PolarHBondContact O-N 3.39Å; D122-S124 VanDerWaalsContact O-N 3.12Å; D122-I125 PolarHBondContact O-N 2.88Å; D122-L126 PolarHBondContact O-N 2.77Å; D122-L126 VanDerWaalsContact O-N 3.17Å
123H47.4Very low41.8Very low62 Ų6291.4 Ų91.429%0.28747%0.473SS..Hα-helixtrans-57.4-31.3-178-78.6-116.8000113.4Y120 I125 L127 I136Y120-H123 VanDerWaalsContact C-CD2 3.5Å; Y120-H123 AromaticContact CD1-NE2 3.72Å; Y120-H123 PolarHBondContact O-CD2 2.94Å; H123-I125 VanDerWaalsContact C-N 3.32Å; H123-I125 PolarHBondContact O-N 3.33Å; H123-L127 WeakPolarHBondContact O-CB 3.22Å; H123-L127 WeakPolarHBondContact O-CD1 3.35Å; H123-L127 WeakPolarHBondContact O-CG 3.26Å; H123-L127 PolarHBondContact O-N 3.16Å; H123-I136 VanDerWaalsContact ND1-CD1 3.26Å; H123-I136 WeakPolarHBondContact ND1-CD1 2.99Å
124S49.5Very low42.1Very low72 Ų7292.4 Ų92.450%0.50348%0.477SS..Hα-helixtrans-72.2-25.4-179.869.50000113.6D122 K128D122-S124 PolarHBondContact O-N 3.39Å; D122-S124 VanDerWaalsContact O-N 3.12Å; S124-K128 WeakPolarHBondContact O-CD 3.34Å; S124-K128 VanDerWaalsContact O-CG 3.31Å; S124-K128 WeakPolarHBondContact O-CG 3.22Å
125I46.1Very low42.7Very low84 Ų8488 Ų8843%0.43146%0.459SS..Hα-helixtrans-81-50.1176.1-63.3171.2000107.5D122 H123 L127 K128 H129D122-I125 PolarHBondContact O-N 2.88Å; H123-I125 VanDerWaalsContact C-N 3.32Å; H123-I125 PolarHBondContact O-N 3.33Å; I125-L127 PolarHBondContact O-N 3.29Å; I125-K128 WeakPolarHBondContact O-CB 3.36Å; I125-K128 PolarHBondContact O-N 2.99Å; I125-H129 WeakPolarHBondContact CG2-NE2 3.16Å; I125-H129 PolarHBondContact O-CD2 2.68Å; I125-H129 PolarHBondContact O-N 3.41Å
126L40Very low43.3Very low39 Ų3985 Ų8520%0.20445%0.448CS..Hα-helixtrans-55.5-44.1176.2-95.7149.9000113.3L118 D122 K128 H129 L130L118-L126 HydrophobicContact CB-CD1 4.26Å; L118-L126 HydrophobicContact CD1-CD1 4.14Å; D122-L126 PolarHBondContact O-N 2.77Å; D122-L126 VanDerWaalsContact O-N 3.17Å; L126-K128 PolarHBondContact O-N 3.27Å; L126-H129 PolarHBondContact O-N 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.64Å
127L46Very low43.5Very low101 Ų10188.4 Ų88.453%0.52946%0.456SS..Hα-helixtrans-64.6-22.1177.8-74.7166.5000113.8H123 I125 H129 L130 I136H123-L127 WeakPolarHBondContact O-CB 3.22Å; H123-L127 WeakPolarHBondContact O-CD1 3.35Å; H123-L127 WeakPolarHBondContact O-CG 3.26Å; H123-L127 PolarHBondContact O-N 3.16Å; I125-L127 PolarHBondContact O-N 3.29Å; L127-H129 VanDerWaalsContact C-N 3.34Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L127-I136 HydrophobicContact CD2-CD1 4.4Å
128K46.1Very low43.5Very low146 Ų14684.2 Ų84.264%0.63544%0.437SS*.Hα-helixtrans-79.5-20.8174.3-70.4171.4-177.8177.40112.7K57 S124 I125 L126K57-K128 PolarHBondContact NZ-O 3.33Å; S124-K128 WeakPolarHBondContact O-CD 3.34Å; S124-K128 VanDerWaalsContact O-CG 3.31Å; S124-K128 WeakPolarHBondContact O-CG 3.22Å; I125-K128 WeakPolarHBondContact O-CB 3.36Å; I125-K128 PolarHBondContact O-N 2.99Å; L126-K128 PolarHBondContact O-N 3.27Å
129H42.6Very low43.5Very low94 Ų9482.6 Ų82.644%0.43543%0.428SS..Hα-helixtrans-99.6-21.6-177.1-62.3-57.3000112.6I125 L126 L127 C251I125-H129 WeakPolarHBondContact CG2-NE2 3.16Å; I125-H129 PolarHBondContact O-CD2 2.68Å; I125-H129 PolarHBondContact O-N 3.41Å; L126-H129 PolarHBondContact O-N 3.31Å; L127-H129 VanDerWaalsContact C-N 3.34Å; H129-C251 VanDerWaalsContact CB-O 3.29Å; H129-C251 WeakPolarHBondContact CB-O 3.08Å; H129-C251 PolarHBondContact ND1-O 3.2Å; H129-C251 PolarHBondContact ND1-OXT 3.34Å
130L42.2Very low43.4Very low33 Ų3381.7 Ų81.717%0.17342%0.42CS..SBendtrans-71.2153.3173.2-71.1170.7000112L126 L127 D134 I136 L139L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.64Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L130-D134 HydrophobicContact CB-CB 4.34Å; L130-D134 HydrophobicContact CD2-CB 4.44Å; L130-I136 HydrophobicContact CD1-CG1 4.22Å; L130-L139 HydrophobicContact CD2-CD1 4.29Å
131C46.1Very low43Very low30 Ų3081.8 Ų81.820%0.20342%0.419CS..  trans-56.5146.3169.4-59.70000109.2C59 N133 D134C59-C131 HydrophobicContact CB-CB 4.34Å; C131-N133 PolarHBondContact O-N 2.91Å; C131-D134 HydrophobicContact CB-CB 4.18Å; C131-D134 VanDerWaalsContact CB-OD2 3.3Å; C131-D134 WeakPolarHBondContact CB-OD2 2.91Å; C131-D134 PolarHBondContact O-N 3.46Å; C131-D134 PolarHBondContact SG-OD2 3.4Å; C131-D134 VanDerWaalsContact SG-OD2 3.37Å
132P45.4Very low42.3Very low90 Ų9078.7 Ų78.758%0.58440%0.401SS*.THydrogen-bonded Turntrans-53.7-22.6-174.7-2632.6000115
133N47.8Very low41.6Very low106 Ų10681.8 Ų81.857%0.56741%0.41SS*.THydrogen-bonded Turntrans-108.6-3.4-177.5-61.4-25.2000113.7H92 C131H92-N133 HydrophobicContact CB-CB 4.14Å; C131-N133 PolarHBondContact O-N 2.91Å
134D43.5Very low41Very low46 Ų4681.7 Ų81.725%0.24641%0.411CS..  trans-79.9132.3-178.7-81-22.5000111.2H92 L130 C131H92-D134 IonicContact CE1-OD1 2.79Å; H92-D134 IonicContact CG-OD1 3.12Å; H92-D134 IonicContact ND1-OD1 3.35Å; H92-D134 PolarHBondContact ND1-OD1 2.84Å; L130-D134 HydrophobicContact CB-CB 4.34Å; L130-D134 HydrophobicContact CD2-CB 4.44Å; C131-D134 HydrophobicContact CB-CB 4.18Å; C131-D134 VanDerWaalsContact CB-OD2 3.3Å; C131-D134 WeakPolarHBondContact CB-OD2 2.91Å; C131-D134 PolarHBondContact O-N 3.46Å; C131-D134 PolarHBondContact SG-OD2 3.4Å; C131-D134 VanDerWaalsContact SG-OD2 3.37Å
135S44.9Very low40.5Very low23 Ų2378.5 Ų78.516%0.16139%0.389CS..  trans-104.2147.3175.280.70000111.5F94 K137 C138F94-S135 WeakPolarHBondContact CD2-OG 3.33Å; F94-S135 VanDerWaalsContact CE2-CB 3.43Å; F94-S135 WeakPolarHBondContact CE2-OG 3.24Å; S135-K137 PolarHBondContact O-N 2.89Å; S135-C138 WeakPolarHBondContact O-CB 3.49Å; S135-C138 PolarHBondContact O-N 3.05Å; S135-C138 VanDerWaalsContact O-N 3.1Å; S135-C138 PolarHBondContact OG-N 3.4Å; S135-C138 PolarHBondContact OG-SG 2.93Å
136I41Very low40.1Very low56 Ų5676 Ų7629%0.28738%0.376SS..G310 helixtrans-59.3-33.4178.1-60.4173.4000111.1H123 L127 L130 C138 L139H123-I136 VanDerWaalsContact ND1-CD1 3.26Å; H123-I136 WeakPolarHBondContact ND1-CD1 2.99Å; L127-I136 HydrophobicContact CD2-CD1 4.4Å; L130-I136 HydrophobicContact CD1-CG1 4.22Å; I136-C138 PolarHBondContact O-N 3.1Å; I136-L139 VanDerWaalsContact O-CB 3.26Å; I136-L139 WeakPolarHBondContact O-CB 3.35Å; I136-L139 PolarHBondContact O-N 2.88Å
137K34.9Very low40.4Very low131 Ų13174.6 Ų74.657%0.5737%0.369SS*.G310 helixtrans-71.7-25.8178.6-60.3-157.8-159165.60114.1F94 S135 L139 E140F94-K137 HydrophobicContact CE1-CD 4.2Å; F94-K137 HydrophobicContact CE2-CB 3.77Å; F94-K137 HydrophobicContact CE2-CD 4.42Å; F94-K137 HydrophobicContact CE2-CG 4.15Å; F94-K137 HydrophobicContact CZ-CB 3.65Å; F94-K137 HydrophobicContact CZ-CD 3.5Å; F94-K137 HydrophobicContact CZ-CG 3.69Å; S135-K137 PolarHBondContact O-N 2.89Å; K137-L139 PolarHBondContact O-N 2.02Å; K137-L139 VanDerWaalsContact O-N 3.11Å; K137-E140 PolarHBondContact O-N 2.96Å; K137-E140 VanDerWaalsContact O-N 3.1Å
138C33.3Very low40.7Very low54 Ų5471.6 Ų71.637%0.36535%0.351SS..G310 helixtrans-60.8-18.6169.8-67.30000111.5S135 I136 R148S135-C138 WeakPolarHBondContact O-CB 3.49Å; S135-C138 PolarHBondContact O-N 3.05Å; S135-C138 VanDerWaalsContact O-N 3.1Å; S135-C138 PolarHBondContact OG-N 3.4Å; S135-C138 PolarHBondContact OG-SG 2.93Å; I136-C138 PolarHBondContact O-N 3.1Å; C138-R148 PolarHBondContact O-NH2 3.29Å
139L37Very low41Very low56 Ų5664.9 Ų64.929%0.29332%0.322SS..G310 helixtrans-91.3-3.4178.4-53.7170.4000114L130 I136 K137 R148L130-L139 HydrophobicContact CD2-CD1 4.29Å; I136-L139 VanDerWaalsContact O-CB 3.26Å; I136-L139 WeakPolarHBondContact O-CB 3.35Å; I136-L139 PolarHBondContact O-N 2.88Å; K137-L139 PolarHBondContact O-N 2.02Å; K137-L139 VanDerWaalsContact O-N 3.11Å; L139-R148 PolarHBondContact O-NH1 3.06Å
140E35.1Very low42Very low108 Ų10861.2 Ų61.251%0.50531%0.305SS..SBendtrans-90.9-21.2-167.9-73.3178.9174.900115.9K137 Y154K137-E140 PolarHBondContact O-N 2.96Å; K137-E140 VanDerWaalsContact O-N 3.1Å; E140-Y154 PolarHBondContact O-OH 3.1Å
141R33.2Very low43.1Very low214 Ų21460.5 Ų60.581%0.80830%0.302SS*.  trans-128.2117-177.2-74.9-176.5-178.9169.91.3112.4Y143 R148R141-Y143 PolarHBondContact O-N 2.94Å; R141-R148 PolarHBondContact O-NH2 2.97Å
142P36.2Very low44.1Very low53 Ų5366.9 Ų66.934%0.34433%0.329SS..  trans-73117.9173.225.3-27.7000111.8E146 Y154P142-E146 VanDerWaalsContact CA-OE2 3.22Å; P142-E146 WeakPolarHBondContact CA-OE2 3.48Å; P142-Y154 VanDerWaalsContact CD-CE1 3.49Å; P142-Y154 HydrophobicContact CG-CD1 3.38Å; P142-Y154 HydrophobicContact CG-CD2 3.79Å; P142-Y154 HydrophobicContact CG-CE1 3.85Å; P142-Y154 HydrophobicContact CG-CE2 4.21Å; P142-Y154 HydrophobicContact CG-CG 3.35Å
143Y36.2Very low45.1Very low120 Ų12070 Ų7047%0.47133%0.333SS..  trans-78.2155.2170.4-152-87.9000111.7A102 R141 G145 E146A102-Y143 HydrophobicContact CB-CD1 3.45Å; A102-Y143 VanDerWaalsContact CB-CD1 3.45Å; A102-Y143 HydrophobicContact CB-CE1 3.53Å; R141-Y143 PolarHBondContact O-N 2.94Å; Y143-G145 PolarHBondContact O-N 2.88Å; Y143-E146 PolarHBondContact N-OE1 2.86Å; Y143-E146 VanDerWaalsContact N-OE1 3.11Å; Y143-E146 WeakPolarHBondContact O-CB 3.23Å; Y143-E146 PolarHBondContact O-N 3.12Å
144L34.4Very low46Very low60 Ų6067.9 Ų67.931%0.31432%0.318SS..THydrogen-bonded Turntrans-60.3104.2178-162.8148.4000110.4A102 H189 Y205A102-L144 WeakPolarHBondContact CB-O 2.98Å; L144-H189 WeakPolarHBondContact CD1-CE1 3.49Å; L144-H189 WeakPolarHBondContact CD1-NE2 3.34Å; L144-H189 VanDerWaalsContact CD2-CE1 3.45Å; L144-H189 WeakPolarHBondContact CD2-CE1 3.22Å; L144-H189 VanDerWaalsContact CG-CE1 3.49Å; L144-H189 WeakPolarHBondContact CG-CE1 3.33Å; L144-Y205 VanDerWaalsContact CD2-OH 3.22Å; L144-Y205 WeakPolarHBondContact CD2-OH 3.35Å
145G38.4Very low47.4Very low5 Ų565.9 Ų65.95%0.05231%0.309CS..THydrogen-bonded Turntrans116.5-5.7-177.800000114L103 L104 Y143 Y191L103-G145 CarbonylContact O-C 3.46Å; L103-G145 WeakPolarHBondContact O-CA 3.44Å; L104-G145 VanDerWaalsContact CA-O 3.22Å; L104-G145 WeakPolarHBondContact CA-O 3.44Å; L104-G145 VanDerWaalsContact CD1-O 3.32Å; L104-G145 WeakPolarHBondContact CD1-O 3.35Å; Y143-G145 PolarHBondContact O-N 2.88Å; G145-Y191 PolarHBondContact N-OH 2.89Å
146E38.8Very low49Very low31 Ų3172.5 Ų72.515%0.14533%0.331CS..  trans-57.3149.9-164.9-98.3-169.8-166.800116.1L103 P142 Y143 R148L103-E146 HydrophobicContact CB-CG 3.92Å; L103-E146 HydrophobicContact CD2-CG 4.12Å; L103-E146 VanDerWaalsContact O-CA 3.25Å; L103-E146 WeakPolarHBondContact O-CA 3.3Å; L103-E146 PolarHBondContact O-N 3.29Å; L103-E146 VanDerWaalsContact O-N 3.15Å; P142-E146 VanDerWaalsContact CA-OE2 3.22Å; P142-E146 WeakPolarHBondContact CA-OE2 3.48Å; Y143-E146 PolarHBondContact N-OE1 2.86Å; Y143-E146 VanDerWaalsContact N-OE1 3.11Å; Y143-E146 WeakPolarHBondContact O-CB 3.23Å; Y143-E146 PolarHBondContact O-N 3.12Å; E146-R148 PolarHBondContact O-N 3.21Å; E146-R148 VanDerWaalsContact O-N 3.16Å; E146-R148 IonicContact OE1-CZ 2.69Å; E146-R148 IonicContact OE1-NH2 3.01Å; E146-R148 PolarHBondContact OE1-NH2 2.93Å; E146-R148 IonicContact OE2-CZ 3.54Å; E146-R148 IonicContact OE2-NE 3.9Å; E146-R148 PolarHBondContact OE2-NE 3.35Å; E146-R148 IonicContact OE2-NH2 3.7Å; E146-R148 PolarHBondContact OE2-NH2 3.37Å
147P45.5Very low51Low10 Ų1073.1 Ų73.17%0.06534%0.335CS..SBendtrans-55.7-30177.2-31.944.4000114.7L103 I105 V110L103-P147 HydrophobicContact CB-CG 4.42Å; L103-P147 HydrophobicContact CD1-CG 4.31Å; L103-P147 HydrophobicContact CD2-CG 3.31Å; L103-P147 HydrophobicContact CG-CG 3.36Å; I105-P147 HydrophobicContact CB-CB 3.46Å; I105-P147 VanDerWaalsContact CB-CB 3.46Å; I105-P147 HydrophobicContact CB-CG 3.44Å; I105-P147 VanDerWaalsContact CB-CG 3.44Å; I105-P147 HydrophobicContact CD1-CB 3.49Å; I105-P147 VanDerWaalsContact CD1-CB 3.49Å; I105-P147 HydrophobicContact CD1-CG 3.21Å; I105-P147 HydrophobicContact CG1-CB 3.68Å; I105-P147 HydrophobicContact CG1-CG 3.2Å; I105-P147 HydrophobicContact CG2-CB 4.41Å; V110-P147 HydrophobicContact CB-CB 3.96Å; V110-P147 WeakPolarHBondContact CB-O 3.41Å; V110-P147 VanDerWaalsContact CG1-C 3.46Å; V110-P147 HydrophobicContact CG1-CB 3.26Å; V110-P147 WeakPolarHBondContact CG1-O 3.26Å; V110-P147 HydrophobicContact CG2-CB 3.65Å; V110-P147 WeakPolarHBondContact CG2-O 3.32Å
148R51.8Low53.1Low38 Ų3870.2 Ų70.214%0.14333%0.325CS..SBendtrans-70.9145.2-159.2-66.3-177.3-99.6-172.2-4.6109.7V110 C138 L139 R141 E146 I150V110-R148 HydrophobicContact CG1-CG 4.43Å; C138-R148 PolarHBondContact O-NH2 3.29Å; L139-R148 PolarHBondContact O-NH1 3.06Å; R141-R148 PolarHBondContact O-NH2 2.97Å; E146-R148 PolarHBondContact O-N 3.21Å; E146-R148 VanDerWaalsContact O-N 3.16Å; E146-R148 IonicContact OE1-CZ 2.69Å; E146-R148 IonicContact OE1-NH2 3.01Å; E146-R148 PolarHBondContact OE1-NH2 2.93Å; E146-R148 IonicContact OE2-CZ 3.54Å; E146-R148 IonicContact OE2-NE 3.9Å; E146-R148 PolarHBondContact OE2-NE 3.35Å; E146-R148 IonicContact OE2-NH2 3.7Å; E146-R148 PolarHBondContact OE2-NH2 3.37Å; R148-I150 PolarHBondContact O-N 3.11Å
149C53.6Low55.3Low4 Ų474 Ų743%0.02734%0.335CS..PPolyproline II helixtrans-49.5122.3166-72.30000108.6T151 G198 C200C149-T151 PolarHBondContact O-N 2.78Å; C149-G198 PolarHBondContact SG-O 3.44Å; C149-C200 WeakPolarHBondContact CA-SG 3.37Å; C149-C200 HydrophobicContact CB-CB 4.03Å; C149-C200 WeakPolarHBondContact CB-SG 3.16Å; C149-C200 WeakPolarHBondContact SG-CB 3.32Å; C149-C200 PolarHBondContact SG-N 3.16Å; C149-C200 CovalentContact SG-SG 2.02Å; C149-C200 PolarHBondContact SG-SG 3.12Å
150I63.3Low57.2Low17 Ų1780.3 Ų80.39%0.08736%0.36CS..PPolyproline II helixtrans-64.6133.4172.6-61.2176.3000106.8R148 W174 I176 Y191 R195R148-I150 PolarHBondContact O-N 3.11Å; I150-W174 HydrophobicContact CB-CB 3.99Å; I150-W174 HydrophobicContact CB-CD2 3.73Å; I150-W174 HydrophobicContact CB-CE3 3.94Å; I150-W174 HydrophobicContact CB-CG 3.78Å; I150-W174 HydrophobicContact CD1-CB 3.66Å; I150-W174 HydrophobicContact CD1-CG 4.34Å; I150-W174 HydrophobicContact CG1-CB 4.38Å; I150-W174 HydrophobicContact CG2-CB 4.02Å; I150-W174 HydrophobicContact CG2-CD2 3.64Å; I150-W174 HydrophobicContact CG2-CE3 3.29Å; I150-W174 HydrophobicContact CG2-CG 3.98Å; I150-W174 HydrophobicContact CG2-CZ3 3.93Å; I150-W174 VanDerWaalsContact O-CZ2 3.24Å; I150-W174 WeakPolarHBondContact O-CZ2 3.5Å; I150-I176 HydrophobicContact CD1-CD1 4.41Å; I150-Y191 HydrophobicContact CD1-CD1 3.92Å; I150-Y191 HydrophobicContact CD1-CD2 3.12Å; I150-Y191 HydrophobicContact CD1-CE1 4.33Å; I150-Y191 HydrophobicContact CD1-CE2 3.61Å; I150-Y191 HydrophobicContact CD1-CG 3.29Å; I150-R195 PolarHBondContact O-NH2 2.95Å
151T65.4Low59.4Low19 Ų1978.4 Ų78.412%0.11736%0.359CS..  trans-114164.2175.264.40000108.7C149 K153 Y154 G155 W174C149-T151 PolarHBondContact O-N 2.78Å; T151-K153 PolarHBondContact O-N 3.03Å; T151-Y154 PolarHBondContact O-N 2.92Å; T151-Y154 WeakPolarHBondContact OG1-CD2 3.25Å; T151-G155 PolarHBondContact O-N 3.5Å; T151-G155 VanDerWaalsContact O-N 3.1Å; T151-W174 VanDerWaalsContact C-CZ3 3.5Å
152E66.5Low61.9Low163 Ų16377.1 Ų77.176%0.76235%0.354SS*.THydrogen-bonded Turntrans-59.7-19.5178.7-60.2-176.1161.300113Y154 W174E152-Y154 VanDerWaalsContact C-N 3.25Å; E152-Y154 PolarHBondContact O-N 3.48Å; E152-W174 HydrophobicContact CG-CH2 3.96Å; E152-W174 HydrophobicContact CG-CZ3 4.26Å
153K66.5Low64.1Low155 Ų15580.1 Ų80.167%0.67437%0.366SS*.THydrogen-bonded Turntrans-65.3-28.3173.5-172.2176.5175-166.90112.8T151T151-K153 PolarHBondContact O-N 3.03Å
154Y66.6Low66Low62 Ų6280.4 Ų80.424%0.24337%0.367CS..THydrogen-bonded Turntrans-126.7-6-167.2-55.1-63.4000114.4E140 P142 T151 E152 I176E140-Y154 PolarHBondContact O-OH 3.1Å; P142-Y154 VanDerWaalsContact CD-CE1 3.49Å; P142-Y154 HydrophobicContact CG-CD1 3.38Å; P142-Y154 HydrophobicContact CG-CD2 3.79Å; P142-Y154 HydrophobicContact CG-CE1 3.85Å; P142-Y154 HydrophobicContact CG-CE2 4.21Å; P142-Y154 HydrophobicContact CG-CG 3.35Å; T151-Y154 PolarHBondContact O-N 2.92Å; T151-Y154 WeakPolarHBondContact OG1-CD2 3.25Å; E152-Y154 VanDerWaalsContact C-N 3.25Å; E152-Y154 PolarHBondContact O-N 3.48Å; Y154-I176 VanDerWaalsContact O-CD1 3.26Å; Y154-I176 WeakPolarHBondContact O-CD1 3.22Å; Y154-I176 WeakPolarHBondContact O-CG1 3.32Å
155G71.9Confident67.9Low5 Ų579.8 Ų79.85%0.05237%0.365CS..  trans-166.3177.7177.400000112.6T151 F175T151-G155 PolarHBondContact O-N 3.5Å; T151-G155 VanDerWaalsContact O-N 3.1Å; G155-F175 WeakPolarHBondContact CA-O 3.49Å
156Y80.1Confident69.6Low161 Ų16187.3 Ų87.363%0.63140%0.403SS*.EExtended strand (participates in β ladder)trans-118.6140.4-176.5-61-84.8000110.7L158 W174 F175Y156-L158 PolarHBondContact O-N 2.75Å; Y156-W174 CarbonylContact O-C 3.55Å; Y156-W174 WeakPolarHBondContact O-CA 3.49Å; Y156-F175 HydrophobicContact CD2-CE2 4.13Å; Y156-F175 HydrophobicContact CD2-CZ 4.13Å; Y156-F175 HydrophobicContact CG-CE1 4.3Å; Y156-F175 HydrophobicContact CG-CE2 4.49Å; Y156-F175 HydrophobicContact CG-CZ 4.03Å; Y156-F175 PolarHBondContact N-O 3.24Å; Y156-F175 VanDerWaalsContact O-CD1 3.26Å; Y156-F175 WeakPolarHBondContact O-CD1 3.41Å; Y156-F175 PolarHBondContact O-N 2.73Å
157I81.8Confident71.1Confident70 Ų7092.9 Ų92.936%0.35943%0.427SS..EExtended strand (participates in β ladder)trans-74.7118.6173.3-63.1177000108.8K159 W174I157-K159 WeakPolarHBondContact CG2-O 3.47Å; I157-W174 HydrophobicContact CD1-CH2 3.7Å; I157-W174 HydrophobicContact CD1-CZ2 3.63Å; I157-W174 HydrophobicContact CD1-CZ3 4.33Å; I157-W174 HydrophobicContact CG1-CD2 3.83Å; I157-W174 HydrophobicContact CG1-CE3 3.76Å; I157-W174 HydrophobicContact CG1-CH2 3.43Å; I157-W174 VanDerWaalsContact CG1-CH2 3.43Å; I157-W174 HydrophobicContact CG1-CZ2 3.47Å; I157-W174 VanDerWaalsContact CG1-CZ2 3.47Å; I157-W174 HydrophobicContact CG1-CZ3 3.59Å
158L80Confident72.3Confident70 Ų7098.2 Ų98.237%0.36645%0.451SS..EExtended strand (participates in β ladder)trans-75-35.7-179.6-171.770.5000112.4Y156 I173 F175 L190Y156-L158 PolarHBondContact O-N 2.75Å; L158-I173 HydrophobicContact CB-CB 4.28Å; L158-I173 HydrophobicContact CB-CG2 3.95Å; L158-I173 HydrophobicContact CD2-CG2 3.9Å; L158-I173 PolarHBondContact N-O 2.72Å; L158-F175 HydrophobicContact CB-CD1 3.89Å; L158-F175 HydrophobicContact CD1-CD1 3.75Å; L158-F175 HydrophobicContact CD1-CE1 3.99Å; L158-F175 HydrophobicContact CD1-CG 4.44Å; L158-F175 HydrophobicContact CG-CD1 4.43Å; L158-L190 HydrophobicContact CD2-CD2 3.76Å
159K78.6Confident73.1Confident132 Ų13297.9 Ų97.957%0.57445%0.451SS*.EExtended strand (participates in β ladder)trans-141.5148.1-176.5-66.6-167.8-179.3-178.20109.9I157 S161 I173I157-K159 WeakPolarHBondContact CG2-O 3.47Å; K159-S161 PolarHBondContact O-N 3.12Å; K159-I173 HydrophobicContact CD-CD1 4.16Å
160K77.7Confident74.2Confident190 Ų190100.6 Ų100.683%0.82647%0.465SS*.EExtended strand (participates in β ladder)trans-46.3130.6172.4-67-171.4177.6-173.80110
161S82.1Confident75.2Confident68 Ų68103.9 Ų103.948%0.47648%0.479SS..EExtended strand (participates in β ladder)trans-55.2144.7172.348.40000109.9K159K159-S161 PolarHBondContact O-N 3.12Å
162R83.7Confident76Confident187 Ų187103.9 Ų103.971%0.70648%0.477SS*.EExtended strand (participates in β ladder)trans-131.4140.5179.4-65.6-174.7-179.5-172.9-4109.5Y164 I170 K171R162-Y164 PolarHBondContact O-N 2.79Å; R162-I170 CarbonylContact O-C 3.53Å; R162-K171 PolarHBondContact N-O 3.5Å; R162-K171 VanDerWaalsContact N-O 3.07Å; R162-K171 PolarHBondContact O-N 2.56Å
163L82.6Confident77Confident116 Ų11697.3 Ų97.361%0.60745%0.447SS*.EExtended strand (participates in β ladder)trans-59129.2167.1-166.672.6000108.7N165 Q169L163-N165 WeakPolarHBondContact CD1-O 2.71Å; L163-N165 WeakPolarHBondContact CG-O 3.28Å; L163-Q169 CarbonylContact C-O 3.55Å
164Y76.1Confident77.9Confident125 Ų12590.3 Ų90.349%0.4942%0.417SS..EExtended strand (participates in β ladder)trans-91.4-39.3-178.4-178-110000111.5R162 Q169 K171 I194R162-Y164 PolarHBondContact O-N 2.79Å; Y164-Q169 WeakPolarHBondContact CB-O 3.33Å; Y164-Q169 HydrophobicContact CD1-CB 4.24Å; Y164-Q169 PolarHBondContact N-O 3.31Å; Y164-K171 HydrophobicContact CD2-CB 4.29Å; Y164-K171 HydrophobicContact CD2-CD 4.09Å; Y164-I194 HydrophobicContact CD1-CD1 3.82Å; Y164-I194 HydrophobicContact CD1-CG2 4.39Å; Y164-I194 HydrophobicContact CD2-CD1 4.49Å; Y164-I194 HydrophobicContact CE1-CD1 3.58Å; Y164-I194 HydrophobicContact CE2-CD1 4.28Å; Y164-I194 HydrophobicContact CG-CD1 4.27Å
165N75.2Confident78.7Confident48 Ų4889 Ų8926%0.25741%0.412SS..EExtended strand (participates in β ladder)trans-156.1174.9176.161.219.4000111L163 K167 E168 Q169L163-N165 WeakPolarHBondContact CD1-O 2.71Å; L163-N165 WeakPolarHBondContact CG-O 3.28Å; N165-K167 PolarHBondContact O-N 2.92Å; N165-K167 WeakPolarHBondContact OD1-CB 3.29Å; N165-K167 PolarHBondContact OD1-N 2.79Å; N165-K167 VanDerWaalsContact OD1-N 3.1Å; N165-E168 PolarHBondContact O-N 2.78Å; N165-Q169 PolarHBondContact ND2-OE1 3.37Å; N165-Q169 VanDerWaalsContact OD1-CB 3.23Å; N165-Q169 WeakPolarHBondContact OD1-CB 3.27Å; N165-Q169 VanDerWaalsContact OD1-CG 3.3Å; N165-Q169 WeakPolarHBondContact OD1-CG 3.42Å; N165-Q169 PolarHBondContact OD1-N 2.95Å
166D74.3Confident79.3Confident162 Ų16291.1 Ų91.187%0.86642%0.422SS*.THydrogen-bonded Turntrans-67.6-1.7179.7-52.1-35.2000113.9E168D166-E168 VanDerWaalsContact C-N 3.3Å; D166-E168 PolarHBondContact O-N 3.36Å
167K70.9Confident79.4Confident148 Ų14885.8 Ų85.864%0.64340%0.404SS*.THydrogen-bonded Turntrans-94.126.5178.1-57.4-175177.9-174.90112.7N165 Q169 Q196N165-K167 PolarHBondContact O-N 2.92Å; N165-K167 WeakPolarHBondContact OD1-CB 3.29Å; N165-K167 PolarHBondContact OD1-N 2.79Å; N165-K167 VanDerWaalsContact OD1-N 3.1Å; K167-Q169 HydrophobicContact CB-CG 4.48Å; K167-Q169 PolarHBondContact O-N 3.15Å; K167-Q169 VanDerWaalsContact O-N 3.12Å; K167-Q196 PolarHBondContact O-NE2 2.86Å
168E70.1Confident79.5Confident123 Ų12388.2 Ų88.258%0.57541%0.412SS*.THydrogen-bonded Turntrans59.322-179.4-54.9-176.5165.800114.5N165 D166N165-E168 PolarHBondContact O-N 2.78Å; D166-E168 VanDerWaalsContact C-N 3.3Å; D166-E168 PolarHBondContact O-N 3.36Å
169Q68.3Low79.6Confident30 Ų3089.8 Ų89.814%0.1441%0.414CS..EExtended strand (participates in β ladder)trans-77.9132.1175.3-64.5-169.9-26.400109.9L163 Y164 N165 K167 I194 R195 Q196L163-Q169 CarbonylContact C-O 3.55Å; Y164-Q169 WeakPolarHBondContact CB-O 3.33Å; Y164-Q169 HydrophobicContact CD1-CB 4.24Å; Y164-Q169 PolarHBondContact N-O 3.31Å; N165-Q169 PolarHBondContact ND2-OE1 3.37Å; N165-Q169 VanDerWaalsContact OD1-CB 3.23Å; N165-Q169 WeakPolarHBondContact OD1-CB 3.27Å; N165-Q169 VanDerWaalsContact OD1-CG 3.3Å; N165-Q169 WeakPolarHBondContact OD1-CG 3.42Å; N165-Q169 PolarHBondContact OD1-N 2.95Å; K167-Q169 HydrophobicContact CB-CG 4.48Å; K167-Q169 PolarHBondContact O-N 3.15Å; K167-Q169 VanDerWaalsContact O-N 3.12Å; Q169-I194 HydrophobicContact CB-CG2 3.62Å; Q169-I194 HydrophobicContact CG-CG2 4.12Å; Q169-R195 CarbonylContact C-O 3.59Å; Q169-R195 WeakPolarHBondContact CA-O 3.12Å; Q169-Q196 HydrophobicContact CG-CB 4.06Å; Q169-Q196 HydrophobicContact CG-CG 3.94Å
170I76.5Confident79.7Confident62 Ų6285.5 Ų85.532%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-111.3118.4-177.9-57177.6000108.9R162 E172 I194 R195R162-I170 CarbonylContact O-C 3.53Å; I170-E172 HydrophobicContact CG2-CG 3.89Å; I170-I194 CarbonylContact O-C 3.52Å; I170-I194 WeakPolarHBondContact O-CA 3.33Å; I170-R195 HydrophobicContact CB-CB 4.43Å; I170-R195 PolarHBondContact N-O 2.86Å; I170-R195 PolarHBondContact O-N 2.63Å
171K83.8Confident79.9Confident86 Ų8684 Ų8437%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-82.6125.4172-172.5171.7-177.9172.70110.2R162 Y164 I193 I203R162-K171 PolarHBondContact N-O 3.5Å; R162-K171 VanDerWaalsContact N-O 3.07Å; R162-K171 PolarHBondContact O-N 2.56Å; Y164-K171 HydrophobicContact CD2-CB 4.29Å; Y164-K171 HydrophobicContact CD2-CD 4.09Å; K171-I193 WeakPolarHBondContact CA-O 3.24Å; K171-I203 HydrophobicContact CD-CD1 4.41Å; K171-I203 HydrophobicContact CG-CD1 4.35Å
172E83.9Confident80Confident18 Ų1887.5 Ų87.58%0.08441%0.405CS..EExtended strand (participates in β ladder)trans-127.1151.2-179.4-56.9176.3167.200110.7I170 W174 I193 R195I170-E172 HydrophobicContact CG2-CG 3.89Å; E172-W174 PolarHBondContact OE2-NE1 3.03Å; E172-I193 HydrophobicContact CB-CD1 4.29Å; E172-I193 HydrophobicContact CB-CG1 3.8Å; E172-I193 PolarHBondContact N-O 2.68Å; E172-I193 PolarHBondContact O-N 3.18Å; E172-R195 IonicContact OE1-CZ 2.86Å; E172-R195 IonicContact OE1-NE 3.56Å; E172-R195 PolarHBondContact OE1-NE 3.03Å; E172-R195 IonicContact OE2-CZ 2.77Å; E172-R195 IonicContact OE2-NE 2.64Å; E172-R195 PolarHBondContact OE2-NE 2.96Å; E172-R195 IonicContact OE2-NH2 2.94Å; E172-R195 PolarHBondContact OE2-NH2 3.01Å
173I87.4Confident79.9Confident26 Ų2685.2 Ų85.213%0.13340%0.4CS..EExtended strand (participates in β ladder)trans-126.2114.4171.6-54173.2000107.3L158 K159 L190 Y191L158-I173 HydrophobicContact CB-CB 4.28Å; L158-I173 HydrophobicContact CB-CG2 3.95Å; L158-I173 HydrophobicContact CD2-CG2 3.9Å; L158-I173 PolarHBondContact N-O 2.72Å; K159-I173 HydrophobicContact CD-CD1 4.16Å; I173-L190 HydrophobicContact CG2-CD2 4.36Å; I173-Y191 WeakPolarHBondContact CA-O 3.15Å
174W84.5Confident79.9Confident7 Ų783.4 Ų83.43%0.02739%0.392CS..EExtended strand (participates in β ladder)trans-107.6150.9178.8-69.282.9000110.3I150 T151 E152 Y156 I157 E172 L190 Y191 I193I150-W174 HydrophobicContact CB-CB 3.99Å; I150-W174 HydrophobicContact CB-CD2 3.73Å; I150-W174 HydrophobicContact CB-CE3 3.94Å; I150-W174 HydrophobicContact CB-CG 3.78Å; I150-W174 HydrophobicContact CD1-CB 3.66Å; I150-W174 HydrophobicContact CD1-CG 4.34Å; I150-W174 HydrophobicContact CG1-CB 4.38Å; I150-W174 HydrophobicContact CG2-CB 4.02Å; I150-W174 HydrophobicContact CG2-CD2 3.64Å; I150-W174 HydrophobicContact CG2-CE3 3.29Å; I150-W174 HydrophobicContact CG2-CG 3.98Å; I150-W174 HydrophobicContact CG2-CZ3 3.93Å; I150-W174 VanDerWaalsContact O-CZ2 3.24Å; I150-W174 WeakPolarHBondContact O-CZ2 3.5Å; T151-W174 VanDerWaalsContact C-CZ3 3.5Å; E152-W174 HydrophobicContact CG-CH2 3.96Å; E152-W174 HydrophobicContact CG-CZ3 4.26Å; Y156-W174 CarbonylContact O-C 3.55Å; Y156-W174 WeakPolarHBondContact O-CA 3.49Å; I157-W174 HydrophobicContact CD1-CH2 3.7Å; I157-W174 HydrophobicContact CD1-CZ2 3.63Å; I157-W174 HydrophobicContact CD1-CZ3 4.33Å; I157-W174 HydrophobicContact CG1-CD2 3.83Å; I157-W174 HydrophobicContact CG1-CE3 3.76Å; I157-W174 HydrophobicContact CG1-CH2 3.43Å; I157-W174 VanDerWaalsContact CG1-CH2 3.43Å; I157-W174 HydrophobicContact CG1-CZ2 3.47Å; I157-W174 VanDerWaalsContact CG1-CZ2 3.47Å; I157-W174 HydrophobicContact CG1-CZ3 3.59Å; E172-W174 PolarHBondContact OE2-NE1 3.03Å; W174-L190 CarbonylContact O-C 3.52Å; W174-L190 WeakPolarHBondContact O-CA 3.49Å; W174-Y191 PolarHBondContact N-O 2.97Å; W174-Y191 PolarHBondContact O-N 3.38Å; W174-I193 VanDerWaalsContact CD1-CD1 3.46Å
175F84.2Confident80.5Confident34 Ų3479.1 Ų79.115%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-135.2148.8172.680.5-87.2000113.2G155 Y156 L158 H189 L190G155-F175 WeakPolarHBondContact CA-O 3.49Å; Y156-F175 HydrophobicContact CD2-CE2 4.13Å; Y156-F175 HydrophobicContact CD2-CZ 4.13Å; Y156-F175 HydrophobicContact CG-CE1 4.3Å; Y156-F175 HydrophobicContact CG-CE2 4.49Å; Y156-F175 HydrophobicContact CG-CZ 4.03Å; Y156-F175 PolarHBondContact N-O 3.24Å; Y156-F175 VanDerWaalsContact O-CD1 3.26Å; Y156-F175 WeakPolarHBondContact O-CD1 3.41Å; Y156-F175 PolarHBondContact O-N 2.73Å; L158-F175 HydrophobicContact CB-CD1 3.89Å; L158-F175 HydrophobicContact CD1-CD1 3.75Å; L158-F175 HydrophobicContact CD1-CE1 3.99Å; L158-F175 HydrophobicContact CD1-CG 4.44Å; L158-F175 HydrophobicContact CG-CD1 4.43Å; F175-H189 CarbonylContact C-O 3.49Å; F175-H189 WeakPolarHBondContact CA-O 3.45Å; F175-L190 HydrophobicContact CB-CD2 3.59Å
176I82.9Confident81Confident50 Ų5077.2 Ų77.226%0.25637%0.366SS..EExtended strand (participates in β ladder)trans-132.3128.5172.6-53.5176.6000106.7I150 Y154 H189 Y191I150-I176 HydrophobicContact CD1-CD1 4.41Å; Y154-I176 VanDerWaalsContact O-CD1 3.26Å; Y154-I176 WeakPolarHBondContact O-CD1 3.22Å; Y154-I176 WeakPolarHBondContact O-CG1 3.32Å; I176-H189 HydrophobicContact CB-CB 4.44Å; I176-H189 PolarHBondContact N-O 2.94Å; I176-H189 PolarHBondContact O-N 3.27Å; I176-Y191 HydrophobicContact CD1-CE2 4.04Å; I176-Y191 HydrophobicContact CG1-CE2 4.23Å
177D83.6Confident81.5Confident50 Ų5071.1 Ų71.127%0.26733%0.332SS..EExtended strand (participates in β ladder)trans-104.1130.5175.4-71.3-13000109.6I186 R188 Y212D177-I186 HydrophobicContact CB-CG2 3.88Å; D177-R188 WeakPolarHBondContact OD1-CA 3.23Å; D177-R188 WeakPolarHBondContact OD1-CB 3.11Å; D177-R188 VanDerWaalsContact OD1-CG 3.23Å; D177-R188 WeakPolarHBondContact OD1-CG 3.39Å; D177-R188 IonicContact OD1-CZ 3.64Å; D177-R188 IonicContact OD1-NE 2.73Å; D177-R188 PolarHBondContact OD1-NE 2.9Å; D177-R188 IonicContact OD1-NH2 3.88Å; D177-R188 IonicContact OD2-CZ 2.71Å; D177-R188 IonicContact OD2-NE 3.28Å; D177-R188 IonicContact OD2-NH2 2.94Å; D177-R188 PolarHBondContact OD2-NH2 2.8Å; D177-Y212 PolarHBondContact OD2-OH 2.83Å
178K83.3Confident82.2Confident120 Ų12065.6 Ų65.652%0.52231%0.307SS..EExtended strand (participates in β ladder)trans-111.9121.9169.6-175.4179.6-180-177.10108.4E187K178-E187 HydrophobicContact CB-CB 4.42Å; K178-E187 PolarHBondContact N-O 2.79Å; K178-E187 PolarHBondContact O-N 2.79Å
179Y81.8Confident82.9Confident103 Ų10359.9 Ų59.940%0.40428%0.28SS..EExtended strand (participates in β ladder)trans-84126.4173.6-175.7-110.6000109.9H181 D184 I186Y179-H181 AromaticContact CD1-CD2 3.77Å; Y179-H181 AromaticContact CD1-CE1 3.56Å; Y179-H181 AromaticContact CD1-CG 3.74Å; Y179-H181 AromaticContact CD1-ND1 3.62Å; Y179-H181 AromaticContact CD1-NE2 3.65Å; Y179-H181 HydrophobicContact CE1-CB 4.24Å; Y179-H181 AromaticContact CE1-CE1 3.74Å; Y179-H181 AromaticContact CE1-CG 3.71Å; Y179-H181 AromaticContact CE1-ND1 3.39Å; Y179-H181 WeakPolarHBondContact CE1-ND1 3.36Å; Y179-D184 PolarHBondContact OH-OD1 3.28Å; Y179-I186 HydrophobicContact CD2-CG1 4.22Å
180N80.7Confident83.7Confident43 Ų4358.8 Ų58.823%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-99.9102.2173-173.9-32.4000109I182 D184 H185N180-I182 PolarHBondContact O-N 3.07Å; N180-I182 WeakPolarHBondContact OD1-CB 3.44Å; N180-I182 PolarHBondContact OD1-N 2.75Å; N180-D184 PolarHBondContact O-N 3.31Å; N180-D184 VanDerWaalsContact O-N 3.12Å; N180-H185 WeakPolarHBondContact CB-CE1 3.38Å; N180-H185 VanDerWaalsContact CG-CE1 3.45Å; N180-H185 PolarHBondContact N-O 2.95Å; N180-H185 PolarHBondContact ND2-CE1 2.84Å; N180-H185 VanDerWaalsContact ND2-CE1 3.33Å; N180-H185 PolarHBondContact O-N 2.91Å
181H82.5Confident83.9Confident157 Ų15756.4 Ų56.473%0.72726%0.262SS*.THydrogen-bonded Turntrans-59-30.2-179.1-68.7-90.6000113.6Y179Y179-H181 AromaticContact CD1-CD2 3.77Å; Y179-H181 AromaticContact CD1-CE1 3.56Å; Y179-H181 AromaticContact CD1-CG 3.74Å; Y179-H181 AromaticContact CD1-ND1 3.62Å; Y179-H181 AromaticContact CD1-NE2 3.65Å; Y179-H181 HydrophobicContact CE1-CB 4.24Å; Y179-H181 AromaticContact CE1-CE1 3.74Å; Y179-H181 AromaticContact CE1-CG 3.71Å; Y179-H181 AromaticContact CE1-ND1 3.39Å; Y179-H181 WeakPolarHBondContact CE1-ND1 3.36Å
182I83.8Confident84Confident143 Ų14353 Ų5373%0.73325%0.248SC*.THydrogen-bonded Turntrans-71-43.4-173.3-61.7173.2000111.3N180N180-I182 PolarHBondContact O-N 3.07Å; N180-I182 WeakPolarHBondContact OD1-CB 3.44Å; N180-I182 PolarHBondContact OD1-N 2.75Å
183F81.8Confident83.7Confident138 Ų13852.6 Ų52.661%0.60525%0.246SC*.THydrogen-bonded Turntrans-109.49.7-175.2-50.3-87.1000113H185F183-H185 VanDerWaalsContact C-N 3.34Å; F183-H185 VanDerWaalsContact CB-ND1 3.32Å; F183-H185 WeakPolarHBondContact CB-ND1 3.23Å; F183-H185 AromaticContact CD2-CE1 3.78Å; F183-H185 PolarHBondContact O-N 2.9Å
184D83.1Confident83Confident79 Ų7951.9 Ų51.942%0.42224%0.242SC..THydrogen-bonded Turntrans47.455.8-179.5175.441.9000111.7Y179 N180 K211Y179-D184 PolarHBondContact OH-OD1 3.28Å; N180-D184 PolarHBondContact O-N 3.31Å; N180-D184 VanDerWaalsContact O-N 3.12Å; D184-K211 WeakPolarHBondContact O-CD 3.21Å; D184-K211 WeakPolarHBondContact O-CE 3.39Å; D184-K211 WeakPolarHBondContact O-CG 3.42Å; D184-K211 PolarHBondContact O-NZ 2.79Å; D184-K211 VanDerWaalsContact O-NZ 3.12Å; D184-K211 IonicContact OD2-NZ 3.51Å; D184-K211 PolarHBondContact OD2-NZ 2.79Å
185H87.5Confident82.3Confident34 Ų3453 Ų5316%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-140.5156.4178.174.1-72.1000111N180 F183 W209 G210N180-H185 WeakPolarHBondContact CB-CE1 3.38Å; N180-H185 VanDerWaalsContact CG-CE1 3.45Å; N180-H185 PolarHBondContact N-O 2.95Å; N180-H185 PolarHBondContact ND2-CE1 2.84Å; N180-H185 VanDerWaalsContact ND2-CE1 3.33Å; N180-H185 PolarHBondContact O-N 2.91Å; F183-H185 VanDerWaalsContact C-N 3.34Å; F183-H185 VanDerWaalsContact CB-ND1 3.32Å; F183-H185 WeakPolarHBondContact CB-ND1 3.23Å; F183-H185 AromaticContact CD2-CE1 3.78Å; F183-H185 PolarHBondContact O-N 2.9Å; H185-W209 AromaticContact CD2-CD1 3.71Å; H185-W209 AromaticContact NE2-CD1 3.65Å; H185-G210 CarbonylContact C-O 3.56Å; H185-G210 WeakPolarHBondContact CA-O 3.33Å; H185-G210 VanDerWaalsContact CB-O 3.29Å; H185-G210 WeakPolarHBondContact CB-O 3.32Å
186I85.6Confident81Confident9 Ų953 Ų535%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-96.4133.3171.9-62.6100.1000108.4D177 Y179 R188 W209 G210 Y212 L221D177-I186 HydrophobicContact CB-CG2 3.88Å; Y179-I186 HydrophobicContact CD2-CG1 4.22Å; I186-R188 HydrophobicContact CG2-CB 4.4Å; I186-W209 WeakPolarHBondContact O-CA 3.32Å; I186-G210 PolarHBondContact N-O 2.99Å; I186-G210 PolarHBondContact O-N 2.54Å; I186-Y212 HydrophobicContact CD1-CD2 3.07Å; I186-Y212 HydrophobicContact CD1-CE2 3.72Å; I186-Y212 HydrophobicContact CD1-CG 3.57Å; I186-Y212 HydrophobicContact CG1-CD2 3.52Å; I186-Y212 HydrophobicContact CG1-CE2 3.64Å; I186-Y212 HydrophobicContact CG1-CG 4.42Å; I186-Y212 HydrophobicContact CG2-CE2 4.37Å; I186-L221 HydrophobicContact CB-CD1 4.01Å; I186-L221 HydrophobicContact CD1-CD1 4.05Å; I186-L221 HydrophobicContact CG2-CD1 4.45Å
187E85.6Confident79.8Confident34 Ų3458.6 Ų58.616%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-101.3105.8162.7-170.9-178.3-179.400107.9K178 H189 I207K178-E187 HydrophobicContact CB-CB 4.42Å; K178-E187 PolarHBondContact N-O 2.79Å; K178-E187 PolarHBondContact O-N 2.79Å; E187-H189 VanDerWaalsContact CD-NE2 3.31Å; E187-H189 VanDerWaalsContact CG-NE2 3.32Å; E187-H189 WeakPolarHBondContact CG-NE2 3.05Å; E187-H189 IonicContact OE1-CE1 2.96Å; E187-H189 PolarHBondContact OE1-CE1 2.85Å; E187-H189 IonicContact OE1-NE2 3.33Å; E187-H189 PolarHBondContact OE1-NE2 3.35Å; E187-I207 HydrophobicContact CG-CG2 3.68Å
188R84.4Confident78.3Confident32 Ų3257.3 Ų57.312%0.12127%0.265CS..EExtended strand (participates in β ladder)trans-97.4122.8178.4167.6169.9-68.8175.1-3109.9D177 I186 L190 I207 Q208 Y212 L221D177-R188 WeakPolarHBondContact OD1-CA 3.23Å; D177-R188 WeakPolarHBondContact OD1-CB 3.11Å; D177-R188 VanDerWaalsContact OD1-CG 3.23Å; D177-R188 WeakPolarHBondContact OD1-CG 3.39Å; D177-R188 IonicContact OD1-CZ 3.64Å; D177-R188 IonicContact OD1-NE 2.73Å; D177-R188 PolarHBondContact OD1-NE 2.9Å; D177-R188 IonicContact OD1-NH2 3.88Å; D177-R188 IonicContact OD2-CZ 2.71Å; D177-R188 IonicContact OD2-NE 3.28Å; D177-R188 IonicContact OD2-NH2 2.94Å; D177-R188 PolarHBondContact OD2-NH2 2.8Å; I186-R188 HydrophobicContact CG2-CB 4.4Å; R188-L190 HydrophobicContact CG-CD2 4.42Å; R188-L190 HydrophobicContact CG-CG 4.02Å; R188-I207 CarbonylContact O-C 3.55Å; R188-I207 VanDerWaalsContact O-CA 3.31Å; R188-I207 WeakPolarHBondContact O-CA 3.22Å; R188-Q208 HydrophobicContact CB-CB 4.19Å; R188-Q208 PolarHBondContact N-O 2.77Å; R188-Q208 PolarHBondContact O-N 2.82Å; R188-Y212 PolarHBondContact NH2-OH 2.74Å; R188-L221 HydrophobicContact CB-CD2 4.05Å
189H85Confident76.7Confident3 Ų352.6 Ų52.61%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-98.4126.4173.9-61.4-80.6000109.2L144 F175 I176 E187 Y191 Y205 Q206L144-H189 WeakPolarHBondContact CD1-CE1 3.49Å; L144-H189 WeakPolarHBondContact CD1-NE2 3.34Å; L144-H189 VanDerWaalsContact CD2-CE1 3.45Å; L144-H189 WeakPolarHBondContact CD2-CE1 3.22Å; L144-H189 VanDerWaalsContact CG-CE1 3.49Å; L144-H189 WeakPolarHBondContact CG-CE1 3.33Å; F175-H189 CarbonylContact C-O 3.49Å; F175-H189 WeakPolarHBondContact CA-O 3.45Å; I176-H189 HydrophobicContact CB-CB 4.44Å; I176-H189 PolarHBondContact N-O 2.94Å; I176-H189 PolarHBondContact O-N 3.27Å; E187-H189 VanDerWaalsContact CD-NE2 3.31Å; E187-H189 VanDerWaalsContact CG-NE2 3.32Å; E187-H189 WeakPolarHBondContact CG-NE2 3.05Å; E187-H189 IonicContact OE1-CE1 2.96Å; E187-H189 PolarHBondContact OE1-CE1 2.85Å; E187-H189 IonicContact OE1-NE2 3.33Å; E187-H189 PolarHBondContact OE1-NE2 3.35Å; H189-Y191 HydrophobicContact CB-CD2 4.49Å; H189-Y191 HydrophobicContact CB-CE2 3.6Å; H189-Y205 HydrophobicContact CB-CE2 4.09Å; H189-Y205 AromaticContact ND1-CZ 3.66Å; H189-Y205 PolarHBondContact ND1-OH 2.84Å; H189-Q206 CarbonylContact C-O 3.6Å
190L85.9Confident75.7Confident6 Ų647.9 Ų47.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-119.3125.4-179.5-72.1165.7000110L158 I173 W174 F175 R188 Y205 Q206 Q208L158-L190 HydrophobicContact CD2-CD2 3.76Å; I173-L190 HydrophobicContact CG2-CD2 4.36Å; W174-L190 CarbonylContact O-C 3.52Å; W174-L190 WeakPolarHBondContact O-CA 3.49Å; F175-L190 HydrophobicContact CB-CD2 3.59Å; R188-L190 HydrophobicContact CG-CD2 4.42Å; R188-L190 HydrophobicContact CG-CG 4.02Å; L190-Y205 CarbonylContact O-C 3.51Å; L190-Y205 WeakPolarHBondContact O-CA 3.38Å; L190-Y205 WeakPolarHBondContact O-CD2 2.85Å; L190-Q206 HydrophobicContact CB-CB 4.02Å; L190-Q206 HydrophobicContact CB-CG 4.47Å; L190-Q206 HydrophobicContact CD1-CB 4.32Å; L190-Q206 PolarHBondContact N-O 2.77Å; L190-Q206 PolarHBondContact O-N 2.87Å; L190-Q208 HydrophobicContact CD1-CG 4.21Å
191Y81.8Confident75.2Confident12 Ų1248.9 Ų48.95%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-116.9115.1-177.6-57.7-98000108.9G145 I150 I173 W174 I176 H189 L202 Y205G145-Y191 PolarHBondContact N-OH 2.89Å; I150-Y191 HydrophobicContact CD1-CD1 3.92Å; I150-Y191 HydrophobicContact CD1-CD2 3.12Å; I150-Y191 HydrophobicContact CD1-CE1 4.33Å; I150-Y191 HydrophobicContact CD1-CE2 3.61Å; I150-Y191 HydrophobicContact CD1-CG 3.29Å; I173-Y191 WeakPolarHBondContact CA-O 3.15Å; W174-Y191 PolarHBondContact N-O 2.97Å; W174-Y191 PolarHBondContact O-N 3.38Å; I176-Y191 HydrophobicContact CD1-CE2 4.04Å; I176-Y191 HydrophobicContact CG1-CE2 4.23Å; H189-Y191 HydrophobicContact CB-CD2 4.49Å; H189-Y191 HydrophobicContact CB-CE2 3.6Å; Y191-L202 HydrophobicContact CD1-CD1 4.21Å; Y191-Y205 AromaticContact CD1-CD2 3.78Å; Y191-Y205 HydrophobicContact CD1-CD2 3.78Å; Y191-Y205 HydrophobicContact CD1-CE2 4.06Å; Y191-Y205 AromaticContact CE1-CD2 3.69Å; Y191-Y205 HydrophobicContact CE1-CD2 3.69Å; Y191-Y205 AromaticContact CE1-CE2 3.51Å; Y191-Y205 HydrophobicContact CE1-CE2 3.51Å; Y191-Y205 HydrophobicContact CE2-CE2 4.15Å; Y191-Y205 HydrophobicContact CG-CD2 4.31Å; Y191-Y205 AromaticContact CZ-CE2 3.57Å
192H84.9Confident74.7Confident15 Ų1542.1 Ų42.17%0.06920%0.199CC..EExtended strand (participates in β ladder)trans-98.2111173.9-62.4-107.4000107.1I203 R204 Q206H192-I203 HydrophobicContact CB-CB 4.34Å; H192-I203 WeakPolarHBondContact O-CB 3.01Å; H192-I203 PolarHBondContact O-N 2.82Å; H192-R204 HydrophobicContact CB-CB 3.96Å; H192-R204 WeakPolarHBondContact CB-O 3.29Å; H192-R204 PolarHBondContact CD2-NE 2.73Å; H192-R204 PolarHBondContact CD2-O 3.12Å; H192-R204 PolarHBondContact CE1-NH2 3.25Å; H192-R204 PolarHBondContact N-O 2.86Å; H192-R204 PolarHBondContact NE2-NE 3.05Å; H192-R204 PolarHBondContact NE2-NH2 2.9Å; H192-R204 VanDerWaalsContact NE2-NH2 3.12Å; H192-R204 PolarHBondContact O-N 3.35Å; H192-Q206 PolarHBondContact NE2-OE1 2.8Å
193I77.5Confident74.4Confident9 Ų937.8 Ų37.85%0.04618%0.177CC..EExtended strand (participates in β ladder)trans-124.8152.7-17366.4-178.1000111.1K171 E172 W174 C200 Q201 L202K171-I193 WeakPolarHBondContact CA-O 3.24Å; E172-I193 HydrophobicContact CB-CD1 4.29Å; E172-I193 HydrophobicContact CB-CG1 3.8Å; E172-I193 PolarHBondContact N-O 2.68Å; E172-I193 PolarHBondContact O-N 3.18Å; W174-I193 VanDerWaalsContact CD1-CD1 3.46Å; I193-C200 HydrophobicContact CB-CB 4.48Å; I193-C200 HydrophobicContact CD1-CB 4.27Å; I193-Q201 CarbonylContact C-O 3.57Å; I193-Q201 VanDerWaalsContact CA-O 3.24Å; I193-Q201 WeakPolarHBondContact CA-O 3.45Å; I193-L202 HydrophobicContact CG2-CB 4.45Å; I193-L202 HydrophobicContact CG2-CD1 3.95Å
194I73Confident74.4Confident11 Ų1135.2 Ų35.26%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-105.2123.3163.2-55.7-179.8000106.6Y164 Q169 I170 C200 Q201 I203Y164-I194 HydrophobicContact CD1-CD1 3.82Å; Y164-I194 HydrophobicContact CD1-CG2 4.39Å; Y164-I194 HydrophobicContact CD2-CD1 4.49Å; Y164-I194 HydrophobicContact CE1-CD1 3.58Å; Y164-I194 HydrophobicContact CE2-CD1 4.28Å; Y164-I194 HydrophobicContact CG-CD1 4.27Å; Q169-I194 HydrophobicContact CB-CG2 3.62Å; Q169-I194 HydrophobicContact CG-CG2 4.12Å; I170-I194 CarbonylContact O-C 3.52Å; I170-I194 WeakPolarHBondContact O-CA 3.33Å; I194-C200 CarbonylContact O-C 3.53Å; I194-C200 WeakPolarHBondContact O-CA 3.39Å; I194-Q201 HydrophobicContact CB-CB 4.39Å; I194-Q201 PolarHBondContact N-O 3.24Å; I194-Q201 PolarHBondContact O-N 3.38Å; I194-I203 HydrophobicContact CD1-CD1 3.82Å; I194-I203 HydrophobicContact CD1-CG1 3.99Å; I194-I203 HydrophobicContact CG1-CD1 3.31Å; I194-I203 HydrophobicContact CG1-CG1 3.58Å
195R68.7Low74.3Confident32 Ų3232.1 Ų32.112%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-103.5134.8175.8-169.9-178.1-63.5-135.4-2.4110.1I150 Q169 I170 E172 L199I150-R195 PolarHBondContact O-NH2 2.95Å; Q169-R195 CarbonylContact C-O 3.59Å; Q169-R195 WeakPolarHBondContact CA-O 3.12Å; I170-R195 HydrophobicContact CB-CB 4.43Å; I170-R195 PolarHBondContact N-O 2.86Å; I170-R195 PolarHBondContact O-N 2.63Å; E172-R195 IonicContact OE1-CZ 2.86Å; E172-R195 IonicContact OE1-NE 3.56Å; E172-R195 PolarHBondContact OE1-NE 3.03Å; E172-R195 IonicContact OE2-CZ 2.77Å; E172-R195 IonicContact OE2-NE 2.64Å; E172-R195 PolarHBondContact OE2-NE 2.96Å; E172-R195 IonicContact OE2-NH2 2.94Å; E172-R195 PolarHBondContact OE2-NH2 3.01Å; R195-L199 CarbonylContact C-O 3.46Å; R195-L199 WeakPolarHBondContact CA-O 3.49Å
196Q57.4Low74.2Confident34 Ų3431 Ų3116%0.15914%0.141CC..EExtended strand (participates in β ladder)trans-148.6126.5171.5-163.5-174.8-4.700108.6K167 Q169 G198 L199K167-Q196 PolarHBondContact O-NE2 2.86Å; Q169-Q196 HydrophobicContact CG-CB 4.06Å; Q169-Q196 HydrophobicContact CG-CG 3.94Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.95Å; Q196-L199 PolarHBondContact N-O 3.43Å; Q196-L199 WeakPolarHBondContact O-CA 3.35Å; Q196-L199 WeakPolarHBondContact O-CB 3.44Å; Q196-L199 PolarHBondContact O-N 3.46Å
197Y57.3Low74.2Confident167 Ų16731.2 Ų31.266%0.65514%0.142SC*.THydrogen-bonded Turntrans50.841.5-179.5-49.4-56.7000114.4L199Y197-L199 PolarHBondContact O-N 2.71Å
198G52.3Low74.3Confident23 Ų2330.7 Ų30.724%0.23714%0.139CC..THydrogen-bonded Turntrans73.35.4-177.600000114.9S112 C149 Q196S112-G198 VanDerWaalsContact CB-O 3.26Å; S112-G198 WeakPolarHBondContact CB-O 3.24Å; S112-G198 PolarHBondContact N-O 2.93Å; S112-G198 VanDerWaalsContact N-O 3.12Å; C149-G198 PolarHBondContact SG-O 3.44Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.95Å
199L50.7Low74.6Confident21 Ų2131.1 Ų31.111%0.1114%0.141CC..EExtended strand (participates in β ladder)trans-100.8139.4176.7-56.8169.5000110.7N109 V110 Y111 R195 Q196 Y197N109-L199 HydrophobicContact CB-CB 3.61Å; N109-L199 HydrophobicContact CB-CD1 3.77Å; N109-L199 HydrophobicContact CB-CD2 4.25Å; N109-L199 HydrophobicContact CB-CG 4.06Å; N109-L199 WeakPolarHBondContact ND2-CD1 3.28Å; V110-L199 WeakPolarHBondContact O-CA 3.04Å; Y111-L199 HydrophobicContact CD1-CD2 3.57Å; Y111-L199 HydrophobicContact CD2-CD2 4.37Å; Y111-L199 HydrophobicContact CE1-CD2 3.55Å; Y111-L199 HydrophobicContact CE2-CD2 4.31Å; Y111-L199 HydrophobicContact CG-CD2 3.96Å; R195-L199 CarbonylContact C-O 3.46Å; R195-L199 WeakPolarHBondContact CA-O 3.49Å; Q196-L199 PolarHBondContact N-O 3.43Å; Q196-L199 WeakPolarHBondContact O-CA 3.35Å; Q196-L199 WeakPolarHBondContact O-CB 3.44Å; Q196-L199 PolarHBondContact O-N 3.46Å; Y197-L199 PolarHBondContact O-N 2.71Å
200C60.9Low74.8Confident3 Ų331.1 Ų31.12%0.0214%0.142CC..EExtended strand (participates in β ladder)trans-116.3136.2178.6-65.30000112.9N109 V110 C149 I193 I194N109-C200 CarbonylContact C-O 3.56Å; N109-C200 WeakPolarHBondContact CA-O 3.42Å; V110-C200 PolarHBondContact N-O 3.03Å; V110-C200 PolarHBondContact O-N 2.71Å; C149-C200 WeakPolarHBondContact CA-SG 3.37Å; C149-C200 HydrophobicContact CB-CB 4.03Å; C149-C200 WeakPolarHBondContact CB-SG 3.16Å; C149-C200 WeakPolarHBondContact SG-CB 3.32Å; C149-C200 PolarHBondContact SG-N 3.16Å; C149-C200 CovalentContact SG-SG 2.02Å; C149-C200 PolarHBondContact SG-SG 3.12Å; I193-C200 HydrophobicContact CB-CB 4.48Å; I193-C200 HydrophobicContact CD1-CB 4.27Å; I194-C200 CarbonylContact O-C 3.53Å; I194-C200 WeakPolarHBondContact O-CA 3.39Å
201Q68.8Low74.9Confident65 Ų6534 Ų3430%0.30415%0.154SC..EExtended strand (participates in β ladder)trans-113.2117.4169.2179.5-174.50.200108.9I193 I194 I203I193-Q201 CarbonylContact C-O 3.57Å; I193-Q201 VanDerWaalsContact CA-O 3.24Å; I193-Q201 WeakPolarHBondContact CA-O 3.45Å; I194-Q201 HydrophobicContact CB-CB 4.39Å; I194-Q201 PolarHBondContact N-O 3.24Å; I194-Q201 PolarHBondContact O-N 3.38Å; Q201-I203 PolarHBondContact O-N 2.84Å
202L72.7Confident75Confident14 Ų1437.9 Ų37.97%0.07317%0.169CC..EExtended strand (participates in β ladder)trans-73.1121.9173.5178.176.6000110.6L104 V106 Y191 I193 R204L104-L202 HydrophobicContact CD1-CD2 3.82Å; V106-L202 HydrophobicContact CB-CB 4.46Å; V106-L202 HydrophobicContact CB-CD2 4.12Å; V106-L202 HydrophobicContact CG1-CB 3.77Å; V106-L202 HydrophobicContact CG1-CD2 3.68Å; V106-L202 HydrophobicContact CG1-CG 3.82Å; V106-L202 WeakPolarHBondContact CG1-O 2.94Å; V106-L202 HydrophobicContact CG2-CB 4.5Å; V106-L202 HydrophobicContact CG2-CD2 3.4Å; V106-L202 VanDerWaalsContact CG2-CD2 3.4Å; V106-L202 HydrophobicContact CG2-CG 4.39Å; Y191-L202 HydrophobicContact CD1-CD1 4.21Å; I193-L202 HydrophobicContact CG2-CB 4.45Å; I193-L202 HydrophobicContact CG2-CD1 3.95Å; L202-R204 WeakPolarHBondContact CD1-O 3.37Å
203I78.8Confident74.7Confident52 Ų5239.4 Ų39.427%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-90.8-42.6177.9-48173.4000110.3K171 H192 I194 Q201 P231K171-I203 HydrophobicContact CD-CD1 4.41Å; K171-I203 HydrophobicContact CG-CD1 4.35Å; H192-I203 HydrophobicContact CB-CB 4.34Å; H192-I203 WeakPolarHBondContact O-CB 3.01Å; H192-I203 PolarHBondContact O-N 2.82Å; I194-I203 HydrophobicContact CD1-CD1 3.82Å; I194-I203 HydrophobicContact CD1-CG1 3.99Å; I194-I203 HydrophobicContact CG1-CD1 3.31Å; I194-I203 HydrophobicContact CG1-CG1 3.58Å; Q201-I203 PolarHBondContact O-N 2.84Å; I203-P231 WeakPolarHBondContact O-CD 3.47Å
204R80.8Confident74Confident85 Ų8546.2 Ų46.232%0.32121%0.213SC..EExtended strand (participates in β ladder)trans-158.1137.1-173.3179.5179.580171.713.3109.2H192 L202 Q206 T228 I230H192-R204 HydrophobicContact CB-CB 3.96Å; H192-R204 WeakPolarHBondContact CB-O 3.29Å; H192-R204 PolarHBondContact CD2-NE 2.73Å; H192-R204 PolarHBondContact CD2-O 3.12Å; H192-R204 PolarHBondContact CE1-NH2 3.25Å; H192-R204 PolarHBondContact N-O 2.86Å; H192-R204 PolarHBondContact NE2-NE 3.05Å; H192-R204 PolarHBondContact NE2-NH2 2.9Å; H192-R204 VanDerWaalsContact NE2-NH2 3.12Å; H192-R204 PolarHBondContact O-N 3.35Å; L202-R204 WeakPolarHBondContact CD1-O 3.37Å; R204-Q206 HydrophobicContact CG-CG 3.97Å; R204-Q206 VanDerWaalsContact CZ-CD 3.41Å; R204-Q206 VanDerWaalsContact CZ-NE2 3.32Å; R204-Q206 VanDerWaalsContact NE-CD 3.33Å; R204-T228 HydrophobicContact CG-CG2 3.69Å; R204-I230 HydrophobicContact CG-CG1 4.37Å
205Y81Confident73Confident13 Ų1347.8 Ų47.85%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-116.4136172.7174.4-123.9000109.6L144 H189 L190 Y191 I207 T228 Y229L144-Y205 VanDerWaalsContact CD2-OH 3.22Å; L144-Y205 WeakPolarHBondContact CD2-OH 3.35Å; H189-Y205 HydrophobicContact CB-CE2 4.09Å; H189-Y205 AromaticContact ND1-CZ 3.66Å; H189-Y205 PolarHBondContact ND1-OH 2.84Å; L190-Y205 CarbonylContact O-C 3.51Å; L190-Y205 WeakPolarHBondContact O-CA 3.38Å; L190-Y205 WeakPolarHBondContact O-CD2 2.85Å; Y191-Y205 AromaticContact CD1-CD2 3.78Å; Y191-Y205 HydrophobicContact CD1-CD2 3.78Å; Y191-Y205 HydrophobicContact CD1-CE2 4.06Å; Y191-Y205 AromaticContact CE1-CD2 3.69Å; Y191-Y205 HydrophobicContact CE1-CD2 3.69Å; Y191-Y205 AromaticContact CE1-CE2 3.51Å; Y191-Y205 HydrophobicContact CE1-CE2 3.51Å; Y191-Y205 HydrophobicContact CE2-CE2 4.15Å; Y191-Y205 HydrophobicContact CG-CD2 4.31Å; Y191-Y205 AromaticContact CZ-CE2 3.57Å; Y205-I207 HydrophobicContact CD1-CG1 4.45Å; Y205-I207 HydrophobicContact CE1-CD1 3.73Å; Y205-I207 HydrophobicContact CE1-CG1 3.68Å; Y205-I207 HydrophobicContact CE2-CG1 4.41Å; Y205-T228 CarbonylContact O-C 3.6Å; Y205-T228 WeakPolarHBondContact O-CA 3.34Å; Y205-Y229 AromaticContact CD1-CD2 3.62Å; Y205-Y229 HydrophobicContact CD1-CD2 3.62Å; Y205-Y229 HydrophobicContact CD1-CE2 4.29Å; Y205-Y229 HydrophobicContact CD1-CG 4.08Å; Y205-Y229 HydrophobicContact CE1-CD2 4.18Å; Y205-Y229 HydrophobicContact CE1-CE2 4.41Å; Y205-Y229 PolarHBondContact N-O 3.44Å; Y205-Y229 PolarHBondContact O-N 3.33Å
206Q85.4Confident72.2Confident12 Ų1258.6 Ų58.66%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-132.4140178.1-38.4179.6-86.400110.5H189 L190 H192 R204 E226 Q227 T228H189-Q206 CarbonylContact C-O 3.6Å; L190-Q206 HydrophobicContact CB-CB 4.02Å; L190-Q206 HydrophobicContact CB-CG 4.47Å; L190-Q206 HydrophobicContact CD1-CB 4.32Å; L190-Q206 PolarHBondContact N-O 2.77Å; L190-Q206 PolarHBondContact O-N 2.87Å; H192-Q206 PolarHBondContact NE2-OE1 2.8Å; R204-Q206 HydrophobicContact CG-CG 3.97Å; R204-Q206 VanDerWaalsContact CZ-CD 3.41Å; R204-Q206 VanDerWaalsContact CZ-NE2 3.32Å; R204-Q206 VanDerWaalsContact NE-CD 3.33Å; Q206-E226 PolarHBondContact NE2-OE1 2.92Å; Q206-Q227 CarbonylContact C-O 3.52Å; Q206-Q227 WeakPolarHBondContact CA-O 3.31Å; Q206-T228 HydrophobicContact CG-CG2 4.16Å; Q206-T228 PolarHBondContact NE2-OG1 3.44Å
207I84.8Confident72.2Confident12 Ų1267 Ų676%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-116.7126.1171.9-49176.5000107.4E187 R188 Y205 W209 E226 Q227 Y229E187-I207 HydrophobicContact CG-CG2 3.68Å; R188-I207 CarbonylContact O-C 3.55Å; R188-I207 VanDerWaalsContact O-CA 3.31Å; R188-I207 WeakPolarHBondContact O-CA 3.22Å; Y205-I207 HydrophobicContact CD1-CG1 4.45Å; Y205-I207 HydrophobicContact CE1-CD1 3.73Å; Y205-I207 HydrophobicContact CE1-CG1 3.68Å; Y205-I207 HydrophobicContact CE2-CG1 4.41Å; I207-W209 HydrophobicContact CB-CH2 3.53Å; I207-W209 HydrophobicContact CB-CZ2 3.95Å; I207-W209 HydrophobicContact CB-CZ3 3.88Å; I207-W209 HydrophobicContact CD1-CH2 4.26Å; I207-W209 HydrophobicContact CD1-CZ2 4.39Å; I207-W209 HydrophobicContact CG1-CH2 4.48Å; I207-W209 HydrophobicContact CG2-CD2 4.1Å; I207-W209 HydrophobicContact CG2-CE3 4.2Å; I207-W209 HydrophobicContact CG2-CH2 3.43Å; I207-W209 VanDerWaalsContact CG2-CH2 3.43Å; I207-W209 HydrophobicContact CG2-CZ2 3.31Å; I207-W209 HydrophobicContact CG2-CZ3 3.88Å; I207-W209 WeakPolarHBondContact O-CZ3 3.42Å; I207-E226 CarbonylContact O-C 3.54Å; I207-E226 WeakPolarHBondContact O-CA 3.33Å; I207-Q227 PolarHBondContact N-O 3.01Å; I207-Q227 PolarHBondContact O-N 3.08Å; I207-Y229 HydrophobicContact CD1-CE2 3.95Å; I207-Y229 HydrophobicContact CG1-CE2 4.18Å
208Q89Confident72.3Confident23 Ų2361.4 Ų61.411%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-117.3125.6178.2-67.8177.5-1700108.8R188 L190 I223 E226R188-Q208 HydrophobicContact CB-CB 4.19Å; R188-Q208 PolarHBondContact N-O 2.77Å; R188-Q208 PolarHBondContact O-N 2.82Å; L190-Q208 HydrophobicContact CD1-CG 4.21Å; Q208-I223 HydrophobicContact CB-CG1 4.34Å; Q208-I223 HydrophobicContact CB-CG2 4.29Å; Q208-I223 VanDerWaalsContact CD-CD1 3.46Å; Q208-I223 HydrophobicContact CG-CD1 4.18Å; Q208-I223 HydrophobicContact CG-CG2 4.42Å; Q208-E226 HydrophobicContact CG-CB 4.43Å; Q208-E226 HydrophobicContact CG-CG 4.02Å
209W89.6Confident73.1Confident42 Ų4263.6 Ų63.616%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-105.5128.1172.8-61.1-93.3000109.1H185 I186 I207 K224 R225 Q227H185-W209 AromaticContact CD2-CD1 3.71Å; H185-W209 AromaticContact NE2-CD1 3.65Å; I186-W209 WeakPolarHBondContact O-CA 3.32Å; I207-W209 HydrophobicContact CB-CH2 3.53Å; I207-W209 HydrophobicContact CB-CZ2 3.95Å; I207-W209 HydrophobicContact CB-CZ3 3.88Å; I207-W209 HydrophobicContact CD1-CH2 4.26Å; I207-W209 HydrophobicContact CD1-CZ2 4.39Å; I207-W209 HydrophobicContact CG1-CH2 4.48Å; I207-W209 HydrophobicContact CG2-CD2 4.1Å; I207-W209 HydrophobicContact CG2-CE3 4.2Å; I207-W209 HydrophobicContact CG2-CH2 3.43Å; I207-W209 VanDerWaalsContact CG2-CH2 3.43Å; I207-W209 HydrophobicContact CG2-CZ2 3.31Å; I207-W209 HydrophobicContact CG2-CZ3 3.88Å; I207-W209 WeakPolarHBondContact O-CZ3 3.42Å; W209-K224 PolarHBondContact O-N 2.9Å; W209-R225 HydrophobicContact CB-CB 4.35Å; W209-R225 HydrophobicContact CE3-CB 3.91Å; W209-R225 HydrophobicContact CE3-CG 3.67Å; W209-R225 HydrophobicContact CZ3-CG 4.01Å; W209-R225 PolarHBondContact N-O 2.74Å; W209-R225 PolarHBondContact O-N 2.93Å; W209-Q227 HydrophobicContact CH2-CB 3.89Å; W209-Q227 HydrophobicContact CH2-CG 3.85Å; W209-Q227 HydrophobicContact CZ3-CB 3.76Å; W209-Q227 HydrophobicContact CZ3-CG 3.63Å
210G89.8Confident74.3Confident2 Ų269.9 Ų69.92%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-164.3-173.3-17500000113.6H185 I186 F222H185-G210 CarbonylContact C-O 3.56Å; H185-G210 WeakPolarHBondContact CA-O 3.33Å; H185-G210 VanDerWaalsContact CB-O 3.29Å; H185-G210 WeakPolarHBondContact CB-O 3.32Å; I186-G210 PolarHBondContact N-O 2.99Å; I186-G210 PolarHBondContact O-N 2.54Å; G210-F222 CarbonylContact C-O 3.52Å; G210-F222 WeakPolarHBondContact CA-O 2.93Å
211K88.3Confident75.4Confident67 Ų6771 Ų7129%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-123.4138.6171.4-64.3-159.8176.7-148.20109.9D184 F222D184-K211 WeakPolarHBondContact O-CD 3.21Å; D184-K211 WeakPolarHBondContact O-CE 3.39Å; D184-K211 WeakPolarHBondContact O-CG 3.42Å; D184-K211 PolarHBondContact O-NZ 2.79Å; D184-K211 VanDerWaalsContact O-NZ 3.12Å; D184-K211 IonicContact OD2-NZ 3.51Å; D184-K211 PolarHBondContact OD2-NZ 2.79Å; K211-F222 PolarHBondContact N-O 3.27Å; K211-F222 VanDerWaalsContact N-O 3.08Å; K211-F222 PolarHBondContact O-N 2.93Å
212Y83.5Confident76.2Confident94 Ų9473.8 Ų73.837%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-70.2136.8166-81.4-55.2000108.5D177 I186 R188 C219 L221D177-Y212 PolarHBondContact OD2-OH 2.83Å; I186-Y212 HydrophobicContact CD1-CD2 3.07Å; I186-Y212 HydrophobicContact CD1-CE2 3.72Å; I186-Y212 HydrophobicContact CD1-CG 3.57Å; I186-Y212 HydrophobicContact CG1-CD2 3.52Å; I186-Y212 HydrophobicContact CG1-CE2 3.64Å; I186-Y212 HydrophobicContact CG1-CG 4.42Å; I186-Y212 HydrophobicContact CG2-CE2 4.37Å; R188-Y212 PolarHBondContact NH2-OH 2.74Å; Y212-C219 WeakPolarHBondContact CD1-SG 2.83Å; Y212-L221 HydrophobicContact CD1-CB 4.1Å; Y212-L221 HydrophobicContact CD1-CD1 4.31Å; Y212-L221 HydrophobicContact CE1-CB 3.95Å; Y212-L221 HydrophobicContact CE1-CD1 4.43Å
213T77.8Confident76.9Confident47 Ų4776.9 Ų76.929%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-131.4148170.555.50000107.1P215 R220 F222T213-P215 WeakPolarHBondContact O-CD 3.47Å; T213-R220 PolarHBondContact N-O 2.97Å; T213-R220 PolarHBondContact O-N 3.44Å; T213-R220 PolarHBondContact OG1-O 3.12Å; T213-F222 HydrophobicContact CG2-CD2 3.43Å; T213-F222 VanDerWaalsContact CG2-CD2 3.43Å; T213-F222 HydrophobicContact CG2-CE2 3.75Å; T213-F222 WeakPolarHBondContact OG1-CD2 3.29Å; T213-F222 WeakPolarHBondContact OG1-CE2 3.35Å
214M64.7Low77.3Confident152 Ų15281.4 Ų81.475%0.74937%0.37SS*.  trans-103.882.6175.1-69.7-67-153.200108.7W216 C219M214-W216 PolarHBondContact O-N 3.33Å; M214-C219 HydrophobicContact CE-CB 4.33Å; M214-C219 HydrophobicContact SD-CB 3.73Å
215P50.1Low77.7Confident44 Ų4481.8 Ų81.829%0.28637%0.371SS..  trans-74.885.1166.130.6-32.9000108T213 K217 S218 R220T213-P215 WeakPolarHBondContact O-CD 3.47Å; P215-K217 PolarHBondContact O-N 3.21Å; P215-S218 VanDerWaalsContact CD-O 3.23Å; P215-S218 WeakPolarHBondContact CD-O 2.97Å; P215-S218 WeakPolarHBondContact CG-O 3.23Å; P215-R220 HydrophobicContact CG-CB 4.3Å; P215-R220 HydrophobicContact CG-CG 4.07Å
216W52Low78.2Confident258 Ų25882.9 Ų82.998%0.97738%0.377SS*.THydrogen-bonded Turntrans53.4-26.9161.8-5393000120.2M214M214-W216 PolarHBondContact O-N 3.33Å
217K57.3Low78.2Confident211 Ų21183.2 Ų83.292%0.91738%0.378SS*.THydrogen-bonded Turntrans-145.9-15.2-174.4-65.4-172178.6-178.30115.1P215P215-K217 PolarHBondContact O-N 3.21Å
218S59.9Low78.2Confident50 Ų5083.2 Ų83.235%0.3538%0.379SS..SBendtrans-148.8128.7-179.963.60000110.8P215 R220P215-S218 VanDerWaalsContact CD-O 3.23Å; P215-S218 WeakPolarHBondContact CD-O 2.97Å; P215-S218 WeakPolarHBondContact CG-O 3.23Å; S218-R220 PolarHBondContact O-N 2.89Å; S218-R220 PolarHBondContact OG-NE 3.1Å
219C68.8Low77.6Confident69 Ų6984 Ų8447%0.46638%0.382SS..  trans-64.4120.4171.5-171.40000109.3Y212 M214Y212-C219 WeakPolarHBondContact CD1-SG 2.83Å; M214-C219 HydrophobicContact CE-CB 4.33Å; M214-C219 HydrophobicContact SD-CB 3.73Å
220R77.3Confident77.2Confident153 Ų15384.9 Ų84.958%0.57739%0.389SS*.EExtended strand (participates in β ladder)trans-121.3135.1179.1-66.1-173.7-175.3-178.1-1.9110T213 P215 S218T213-R220 PolarHBondContact N-O 2.97Å; T213-R220 PolarHBondContact O-N 3.44Å; T213-R220 PolarHBondContact OG1-O 3.12Å; P215-R220 HydrophobicContact CG-CB 4.3Å; P215-R220 HydrophobicContact CG-CG 4.07Å; S218-R220 PolarHBondContact O-N 2.89Å; S218-R220 PolarHBondContact OG-NE 3.1Å
221L82.3Confident76.2Confident27 Ų2786 Ų8614%0.14140%0.395CS..EExtended strand (participates in β ladder)trans-87113.8171.5-178.866.6000109I186 R188 Y212 I223I186-L221 HydrophobicContact CB-CD1 4.01Å; I186-L221 HydrophobicContact CD1-CD1 4.05Å; I186-L221 HydrophobicContact CG2-CD1 4.45Å; R188-L221 HydrophobicContact CB-CD2 4.05Å; Y212-L221 HydrophobicContact CD1-CB 4.1Å; Y212-L221 HydrophobicContact CD1-CD1 4.31Å; Y212-L221 HydrophobicContact CE1-CB 3.95Å; Y212-L221 HydrophobicContact CE1-CD1 4.43Å; L221-I223 HydrophobicContact CD2-CG1 4.45Å; L221-I223 HydrophobicContact CG-CG1 4.42Å; L221-I223 PolarHBondContact O-N 2.66Å
222F85.8Confident75.2Confident123 Ų12385.4 Ų85.454%0.53940%0.395SS..EExtended strand (participates in β ladder)trans-84.9109.3170.2-77.3-74000110G210 K211 T213G210-F222 CarbonylContact C-O 3.52Å; G210-F222 WeakPolarHBondContact CA-O 2.93Å; K211-F222 PolarHBondContact N-O 3.27Å; K211-F222 VanDerWaalsContact N-O 3.08Å; K211-F222 PolarHBondContact O-N 2.93Å; T213-F222 HydrophobicContact CG2-CD2 3.43Å; T213-F222 VanDerWaalsContact CG2-CD2 3.43Å; T213-F222 HydrophobicContact CG2-CE2 3.75Å; T213-F222 WeakPolarHBondContact OG1-CD2 3.29Å; T213-F222 WeakPolarHBondContact OG1-CE2 3.35Å
223I87.2Confident74.3Confident78 Ų7886.6 Ų86.640%0.442%0.417SS..EExtended strand (participates in β ladder)trans-79.7122.3-177.1-56.9164.5000109.3Q208 L221 R225 E226Q208-I223 HydrophobicContact CB-CG1 4.34Å; Q208-I223 HydrophobicContact CB-CG2 4.29Å; Q208-I223 VanDerWaalsContact CD-CD1 3.46Å; Q208-I223 HydrophobicContact CG-CD1 4.18Å; Q208-I223 HydrophobicContact CG-CG2 4.42Å; L221-I223 HydrophobicContact CD2-CG1 4.45Å; L221-I223 HydrophobicContact CG-CG1 4.42Å; L221-I223 PolarHBondContact O-N 2.66Å; I223-R225 WeakPolarHBondContact CG2-O 2.96Å; I223-E226 HydrophobicContact CG2-CB 4.35Å
224K88.1Confident73.1Confident148 Ų14886.1 Ų86.164%0.64342%0.422SS*.EExtended strand (participates in β ladder)trans-95.1-32.1173.7-67-172.6176.9-173.90112.4W209W209-K224 PolarHBondContact O-N 2.9Å
225R89.8Confident72.1Confident92 Ų9280.3 Ų80.335%0.34739%0.394SS..EExtended strand (participates in β ladder)trans-144.7143.4-179.6-179.7-175.1177.8178.9-2.6109.4I74 K75 W209 I223I74-R225 WeakPolarHBondContact O-CA 3.32Å; K75-R225 HydrophobicContact CB-CG 4.48Å; W209-R225 HydrophobicContact CB-CB 4.35Å; W209-R225 HydrophobicContact CE3-CB 3.91Å; W209-R225 HydrophobicContact CE3-CG 3.67Å; W209-R225 HydrophobicContact CZ3-CG 4.01Å; W209-R225 PolarHBondContact N-O 2.74Å; W209-R225 PolarHBondContact O-N 2.93Å; I223-R225 WeakPolarHBondContact CG2-O 2.96Å
226E90.8Very high72Confident37 Ų3779.8 Ų79.817%0.17339%0.388CS..EExtended strand (participates in β ladder)trans-131.6142171.3-178.7172.9177.300109.9T73 I74 Q206 I207 Q208 I223 T228T73-E226 CarbonylContact C-O 3.57Å; T73-E226 WeakPolarHBondContact CA-O 3.36Å; I74-E226 HydrophobicContact CB-CB 4.38Å; I74-E226 PolarHBondContact N-O 3.19Å; I74-E226 PolarHBondContact O-N 3.2Å; Q206-E226 PolarHBondContact NE2-OE1 2.92Å; I207-E226 CarbonylContact O-C 3.54Å; I207-E226 WeakPolarHBondContact O-CA 3.33Å; Q208-E226 HydrophobicContact CG-CB 4.43Å; Q208-E226 HydrophobicContact CG-CG 4.02Å; I223-E226 HydrophobicContact CG2-CB 4.35Å; E226-T228 PolarHBondContact OE1-OG1 3.12Å
227Q85.2Confident71.2Confident18 Ų1874.9 Ų74.98%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-127.7126.6167.9-73.3-169.3-48.100109K72 T73 Q206 I207 W209 Y229K72-Q227 CarbonylContact O-C 3.56Å; K72-Q227 WeakPolarHBondContact O-CA 3.32Å; T73-Q227 HydrophobicContact CG2-CG 3.81Å; T73-Q227 WeakPolarHBondContact OG1-CG 3.33Å; T73-Q227 PolarHBondContact OG1-NE2 2.9Å; Q206-Q227 CarbonylContact C-O 3.52Å; Q206-Q227 WeakPolarHBondContact CA-O 3.31Å; I207-Q227 PolarHBondContact N-O 3.01Å; I207-Q227 PolarHBondContact O-N 3.08Å; W209-Q227 HydrophobicContact CH2-CB 3.89Å; W209-Q227 HydrophobicContact CH2-CG 3.85Å; W209-Q227 HydrophobicContact CZ3-CB 3.76Å; W209-Q227 HydrophobicContact CZ3-CG 3.63Å; Q227-Y229 HydrophobicContact CB-CE2 3.79Å; Q227-Y229 PolarHBondContact OE1-OH 2.98Å
228T84.7Confident70.4Confident13 Ų1369 Ų698%0.0835%0.352CS..EExtended strand (participates in β ladder)trans-115.9126.6178.5-69.60000108.9V71 K72 R204 Y205 Q206 E226 I230V71-T228 CarbonylContact C-O 3.56Å; V71-T228 VanDerWaalsContact CA-O 3.31Å; V71-T228 WeakPolarHBondContact CA-O 3.33Å; K72-T228 PolarHBondContact N-O 2.83Å; K72-T228 PolarHBondContact O-N 3.47Å; R204-T228 HydrophobicContact CG-CG2 3.69Å; Y205-T228 CarbonylContact O-C 3.6Å; Y205-T228 WeakPolarHBondContact O-CA 3.34Å; Q206-T228 HydrophobicContact CG-CG2 4.16Å; Q206-T228 PolarHBondContact NE2-OG1 3.44Å; E226-T228 PolarHBondContact OE1-OG1 3.12Å; T228-I230 HydrophobicContact CG2-CD1 4.42Å; T228-I230 HydrophobicContact CG2-CG1 4.01Å
229Y77.2Confident69.1Low39 Ų3974.8 Ų74.815%0.15337%0.373CS..EExtended strand (participates in β ladder)trans-109.6119.6177.9-58.2-100.2000108.2F69 V71 Y205 I207 Q227F69-Y229 HydrophobicContact CB-CD1 4.3Å; V71-Y229 HydrophobicContact CB-CD1 4.44Å; V71-Y229 HydrophobicContact CB-CE1 4.49Å; V71-Y229 HydrophobicContact CG1-CD1 4.21Å; V71-Y229 HydrophobicContact CG1-CE1 3.92Å; V71-Y229 HydrophobicContact CG2-CD1 3.52Å; V71-Y229 HydrophobicContact CG2-CE1 3.72Å; V71-Y229 HydrophobicContact CG2-CG 4.43Å; Y205-Y229 AromaticContact CD1-CD2 3.62Å; Y205-Y229 HydrophobicContact CD1-CD2 3.62Å; Y205-Y229 HydrophobicContact CD1-CE2 4.29Å; Y205-Y229 HydrophobicContact CD1-CG 4.08Å; Y205-Y229 HydrophobicContact CE1-CD2 4.18Å; Y205-Y229 HydrophobicContact CE1-CE2 4.41Å; Y205-Y229 PolarHBondContact N-O 3.44Å; Y205-Y229 PolarHBondContact O-N 3.33Å; I207-Y229 HydrophobicContact CD1-CE2 3.95Å; I207-Y229 HydrophobicContact CG1-CE2 4.18Å; Q227-Y229 HydrophobicContact CB-CE2 3.79Å; Q227-Y229 PolarHBondContact OE1-OH 2.98Å
230I80.1Confident67.5Low60 Ų6074 Ų7431%0.30836%0.362SS..EExtended strand (participates in β ladder)trans-112.4119.5175.8-56.6173.8000107.1F69 Y70 R204 T228F69-I230 CarbonylContact C-O 3.5Å; F69-I230 WeakPolarHBondContact CA-O 3.31Å; Y70-I230 PolarHBondContact N-O 2.79Å; Y70-I230 PolarHBondContact O-N 3.23Å; R204-I230 HydrophobicContact CG-CG1 4.37Å; T228-I230 HydrophobicContact CG2-CD1 4.42Å; T228-I230 HydrophobicContact CG2-CG1 4.01Å
231P70.3Confident65.6Low25 Ų2574.3 Ų74.316%0.16238%0.375CS..EExtended strand (participates in β ladder)trans-59.6140.4174.626.6-35.2000111.3F69 V106 I203F69-P231 HydrophobicContact CD1-CB 4.41Å; F69-P231 HydrophobicContact CE1-CB 4.08Å; V106-P231 HydrophobicContact CB-CB 3.95Å; V106-P231 HydrophobicContact CB-CG 4.47Å; V106-P231 HydrophobicContact CG1-CB 3.21Å; V106-P231 HydrophobicContact CG1-CG 3.26Å; I203-P231 WeakPolarHBondContact O-CD 3.47Å
232I66.3Low63.5Low56 Ų5677.1 Ų77.129%0.28739%0.387SS..PPolyproline II helixtrans-88.2125.1170.4-67.6168.6000108.6R68 L83 T235R68-I232 HydrophobicContact CB-CB 4.38Å; R68-I232 HydrophobicContact CB-CD1 3.88Å; R68-I232 PolarHBondContact O-N 2.86Å; L83-I232 HydrophobicContact CD1-CD1 3.02Å; L83-I232 HydrophobicContact CD1-CG1 4.48Å; L83-I232 HydrophobicContact CG-CD1 4.48Å; I232-T235 HydrophobicContact CB-CG2 3.8Å; I232-T235 HydrophobicContact CG2-CG2 3.84Å; I232-T235 WeakPolarHBondContact O-CB 3.48Å; I232-T235 WeakPolarHBondContact O-CG2 3.29Å; I232-T235 PolarHBondContact O-N 2.82Å; I232-T235 PolarHBondContact O-OG1 2.92Å
233S64.6Low61.2Low119 Ų11973.3 Ų73.383%0.83238%0.376SS*.THydrogen-bonded Turntrans-51.2140.5173.9-58.50000110.8T235S233-T235 VanDerWaalsContact C-N 3.28Å; S233-T235 PolarHBondContact O-N 2.81Å
234G52.3Low58.8Low37 Ų3773 Ų7338%0.38137%0.372SS..THydrogen-bonded Turntrans88-17.8179.500000115.1F236 Q237G234-F236 PolarHBondContact O-N 2.76Å; G234-Q237 PolarHBondContact O-N 3.01Å
235T44.8Very low56.5Low29 Ų2971.8 Ų71.818%0.17837%0.371CS..THydrogen-bonded Turntrans-72.8-12.4-175.759.90000114.4R68 I232 S233R68-T235 HydrophobicContact CB-CG2 3.69Å; R68-T235 HydrophobicContact CG-CG2 3.55Å; I232-T235 HydrophobicContact CB-CG2 3.8Å; I232-T235 HydrophobicContact CG2-CG2 3.84Å; I232-T235 WeakPolarHBondContact O-CB 3.48Å; I232-T235 WeakPolarHBondContact O-CG2 3.29Å; I232-T235 PolarHBondContact O-N 2.82Å; I232-T235 PolarHBondContact O-OG1 2.92Å; S233-T235 VanDerWaalsContact C-N 3.28Å; S233-T235 PolarHBondContact O-N 2.81Å
236F46.9Very low54.1Low33 Ų3372.3 Ų72.315%0.14538%0.381CS..THydrogen-bonded Turntrans-120.528.6177.2-65.9-103.2000112.2W65 F69 V106 R108 G234 H238W65-F236 HydrophobicContact CD2-CD1 4.36Å; W65-F236 AromaticContact CD2-CE1 4Å; W65-F236 HydrophobicContact CD2-CE1 4Å; W65-F236 AromaticContact CE3-CD1 3.65Å; W65-F236 HydrophobicContact CE3-CD1 3.65Å; W65-F236 AromaticContact CE3-CE1 3.12Å; W65-F236 HydrophobicContact CE3-CE1 3.12Å; W65-F236 AromaticContact CE3-CZ 3.84Å; W65-F236 HydrophobicContact CE3-CZ 3.84Å; W65-F236 AromaticContact CH2-CE1 3.67Å; W65-F236 HydrophobicContact CH2-CE1 3.67Å; W65-F236 HydrophobicContact CH2-CZ 4.02Å; W65-F236 HydrophobicContact CZ2-CE1 4.35Å; W65-F236 AromaticContact CZ3-CD1 3.94Å; W65-F236 HydrophobicContact CZ3-CD1 3.94Å; W65-F236 AromaticContact CZ3-CE1 2.94Å; W65-F236 HydrophobicContact CZ3-CE1 2.94Å; W65-F236 HydrophobicContact CZ3-CE2 4.45Å; W65-F236 AromaticContact CZ3-CZ 3.27Å; W65-F236 HydrophobicContact CZ3-CZ 3.27Å; F69-F236 HydrophobicContact CZ-CE2 4.37Å; F69-F236 HydrophobicContact CZ-CZ 4.17Å; V106-F236 HydrophobicContact CB-CE2 3.85Å; V106-F236 HydrophobicContact CB-CZ 3.72Å; V106-F236 HydrophobicContact CG2-CZ 4.06Å; V106-F236 WeakPolarHBondContact O-CD1 3.26Å; V106-F236 WeakPolarHBondContact O-CD2 3.36Å; V106-F236 WeakPolarHBondContact O-CE1 3.26Å; V106-F236 WeakPolarHBondContact O-CE2 3.41Å; V106-F236 WeakPolarHBondContact O-CG 3.2Å; V106-F236 WeakPolarHBondContact O-CZ 2.94Å; R108-F236 PolarHBondContact NE-O 3.29Å; G234-F236 PolarHBondContact O-N 2.76Å; F236-H238 PolarHBondContact O-N 2.82Å
237Q35.7Very low51.6Low156 Ų15673.6 Ų73.673%0.72939%0.389SS*.  trans-72.1100.4177.9-82.4173.9-3.500110.7G234G234-Q237 PolarHBondContact O-N 3.01Å
238H39.3Very low49.2Very low88 Ų8873.9 Ų73.941%0.40739%0.391SS..  trans-101122.2158.2-155.219.5000109.2R108 F236 F240R108-H238 VanDerWaalsContact NH1-C 3.33Å; R108-H238 VanDerWaalsContact NH1-CB 3.25Å; R108-H238 VanDerWaalsContact NH1-N 3.19Å; R108-H238 PolarHBondContact NH1-O 3.22Å; R108-H238 PolarHBondContact NH2-O 3.37Å; F236-H238 PolarHBondContact O-N 2.82Å; H238-F240 PolarHBondContact O-N 2.81Å
239Q34.2Very low46.7Very low170 Ų17078.4 Ų78.479%0.79441%0.414SS*.  trans-71.4105.9171.1-75.3171.4-28.300106.9N241Q239-N241 PolarHBondContact O-N 2.91Å
240F35.1Very low44.6Very low54 Ų5484.5 Ų84.524%0.23744%0.442CS..  trans-70.4116.4165.1-76.7-77.3000105.2C60 R108 H238 Q242 F244 L248C60-F240 HydrophobicContact CB-CE1 4.22Å; R108-F240 VanDerWaalsContact NH1-CD2 3.31Å; H238-F240 PolarHBondContact O-N 2.81Å; F240-Q242 PolarHBondContact O-N 3.43Å; F240-Q242 VanDerWaalsContact O-N 3.16Å; F240-F244 HydrophobicContact CB-CE2 4.47Å; F240-F244 HydrophobicContact CD2-CD2 4.43Å; F240-F244 AromaticContact CD2-CE2 3.37Å; F240-F244 HydrophobicContact CD2-CE2 3.37Å; F240-F244 AromaticContact CD2-CZ 3.53Å; F240-F244 HydrophobicContact CD2-CZ 3.53Å; F240-F244 HydrophobicContact CE2-CE1 4.37Å; F240-F244 AromaticContact CE2-CE2 3.76Å; F240-F244 HydrophobicContact CE2-CE2 3.76Å; F240-F244 AromaticContact CE2-CZ 3.36Å; F240-F244 HydrophobicContact CE2-CZ 3.36Å; F240-F244 HydrophobicContact CG-CE2 4.05Å; F240-F244 HydrophobicContact CG-CZ 4.35Å; F240-F244 HydrophobicContact CZ-CZ 4.09Å; F240-L248 HydrophobicContact CE1-CD1 4.36Å
241N37.1Very low42.3Very low158 Ų15884.7 Ų84.785%0.84545%0.448SS*.SBendtrans-74.610.3170.9-68.1-10.4000111.6Q239Q239-N241 PolarHBondContact O-N 2.91Å
242Q37.2Very low40.9Very low86 Ų8687.7 Ų87.740%0.40246%0.462SS..SBendtrans-132.4146.6-167.9-78.5-180-800110.4F240 D247F240-Q242 PolarHBondContact O-N 3.43Å; F240-Q242 VanDerWaalsContact O-N 3.16Å; Q242-D247 WeakPolarHBondContact CA-OD2 3.42Å; Q242-D247 HydrophobicContact CB-CB 3.93Å; Q242-D247 WeakPolarHBondContact CB-OD2 3.06Å; Q242-D247 HydrophobicContact CG-CB 4.36Å
243S37.6Very low39.6Very low44 Ų4489.4 Ų89.431%0.30847%0.471SS..  trans-73.1123.9179.5167.60000109.4I245 D246 D247S243-I245 PolarHBondContact O-N 2.73Å; S243-I245 VanDerWaalsContact O-N 3.15Å; S243-I245 PolarHBondContact OG-N 3.13Å; S243-D246 VanDerWaalsContact CB-OD2 3.22Å; S243-D246 WeakPolarHBondContact CB-OD2 3.38Å; S243-D246 PolarHBondContact O-N 3.46Å; S243-D246 PolarHBondContact OG-N 3.05Å; S243-D246 PolarHBondContact OG-OD2 3.33Å; S243-D247 PolarHBondContact N-OD2 2.87Å; S243-D247 WeakPolarHBondContact O-CB 3.4Å; S243-D247 PolarHBondContact O-N 2.75Å
244F38Very low38.2Very low72 Ų7287.7 Ų87.732%0.31645%0.451SS..THydrogen-bonded Turntrans-58.8-26.8176.2-97.2-84.7000113.3F240 L248F240-F244 HydrophobicContact CB-CE2 4.47Å; F240-F244 HydrophobicContact CD2-CD2 4.43Å; F240-F244 AromaticContact CD2-CE2 3.37Å; F240-F244 HydrophobicContact CD2-CE2 3.37Å; F240-F244 AromaticContact CD2-CZ 3.53Å; F240-F244 HydrophobicContact CD2-CZ 3.53Å; F240-F244 HydrophobicContact CE2-CE1 4.37Å; F240-F244 AromaticContact CE2-CE2 3.76Å; F240-F244 HydrophobicContact CE2-CE2 3.76Å; F240-F244 AromaticContact CE2-CZ 3.36Å; F240-F244 HydrophobicContact CE2-CZ 3.36Å; F240-F244 HydrophobicContact CG-CE2 4.05Å; F240-F244 HydrophobicContact CG-CZ 4.35Å; F240-F244 HydrophobicContact CZ-CZ 4.09Å; F244-L248 HydrophobicContact CD1-CB 4.45Å; F244-L248 HydrophobicContact CD1-CD1 3.4Å; F244-L248 VanDerWaalsContact CD1-CD1 3.4Å; F244-L248 HydrophobicContact CE1-CD1 3.49Å; F244-L248 VanDerWaalsContact CE1-CD1 3.49Å; F244-L248 HydrophobicContact CG-CD1 4.01Å; F244-L248 HydrophobicContact CZ-CD1 4.17Å; F244-L248 WeakPolarHBondContact O-CB 3.37Å
245I39.5Very low37.3Very low121 Ų12190.7 Ų90.762%0.62146%0.455SS*.THydrogen-bonded Turntrans-86.3-40.8-177.2-62.8175.4000110.3S243S243-I245 PolarHBondContact O-N 2.73Å; S243-I245 VanDerWaalsContact O-N 3.15Å; S243-I245 PolarHBondContact OG-N 3.13Å
246D40Very low36.9Very low104 Ų10494.6 Ų94.656%0.55647%0.472SS*.THydrogen-bonded Turntrans-90.8-31.3-172.6-53.1-57.2000112.9S243S243-D246 VanDerWaalsContact CB-OD2 3.22Å; S243-D246 WeakPolarHBondContact CB-OD2 3.38Å; S243-D246 PolarHBondContact O-N 3.46Å; S243-D246 PolarHBondContact OG-N 3.05Å; S243-D246 PolarHBondContact OG-OD2 3.33Å
247D38.1Very low36.2Very low64 Ų6498.7 Ų98.734%0.34249%0.494SS..THydrogen-bonded Turntrans-109-23.5-168.9-60.2-46.1000113.5Q242 S243 C251Q242-D247 WeakPolarHBondContact CA-OD2 3.42Å; Q242-D247 HydrophobicContact CB-CB 3.93Å; Q242-D247 WeakPolarHBondContact CB-OD2 3.06Å; Q242-D247 HydrophobicContact CG-CB 4.36Å; S243-D247 PolarHBondContact N-OD2 2.87Å; S243-D247 WeakPolarHBondContact O-CB 3.4Å; S243-D247 PolarHBondContact O-N 2.75Å; D247-C251 PolarHBondContact O-N 2.86Å; D247-C251 PolarHBondContact O-SG 3.11Å
248L34Very low36.2Very low23 Ų2394.6 Ų94.612%0.1248%0.477CS..SBendtrans-101.2-18.4-173.9-102.7157.6000114.2Y111 F240 F244Y111-L248 HydrophobicContact CE1-CD2 4.32Å; Y111-L248 HydrophobicContact CE2-CD2 3.75Å; Y111-L248 VanDerWaalsContact CZ-CD2 3.41Å; Y111-L248 VanDerWaalsContact OH-CB 3.26Å; Y111-L248 WeakPolarHBondContact OH-CB 3.4Å; Y111-L248 WeakPolarHBondContact OH-CD1 3.25Å; Y111-L248 WeakPolarHBondContact OH-CD2 3.35Å; Y111-L248 VanDerWaalsContact OH-CG 3.31Å; Y111-L248 WeakPolarHBondContact OH-CG 3.37Å; F240-L248 HydrophobicContact CE1-CD1 4.36Å; F244-L248 HydrophobicContact CD1-CB 4.45Å; F244-L248 HydrophobicContact CD1-CD1 3.4Å; F244-L248 VanDerWaalsContact CD1-CD1 3.4Å; F244-L248 HydrophobicContact CE1-CD1 3.49Å; F244-L248 VanDerWaalsContact CE1-CD1 3.49Å; F244-L248 HydrophobicContact CG-CD1 4.01Å; F244-L248 HydrophobicContact CZ-CD1 4.17Å; F244-L248 WeakPolarHBondContact O-CB 3.37Å
249L33Very low36Very low108 Ų10895.1 Ų95.157%0.56548%0.483SS*.SBendtrans-88.3-9.5170.6-73.8165.8000112.5
250F32.2Very low36.2Very low168 Ų16888.8 Ų88.874%0.73746%0.457SS*.  trans-127.519.4-179.8-63.7-74.9000113.8
251C32.1Very low36.3Very low64 Ų6492 Ų9243%0.43248%0.477SS..  trans-58.30167.5-870000111.3H129 D247H129-C251 VanDerWaalsContact CB-O 3.29Å; H129-C251 WeakPolarHBondContact CB-O 3.08Å; H129-C251 PolarHBondContact ND1-O 3.2Å; H129-C251 PolarHBondContact ND1-OXT 3.34Å; D247-C251 PolarHBondContact O-N 2.86Å; D247-C251 PolarHBondContact O-SG 3.11Å

Retrieved 251 of 251 residues in 48.7 ms (Link to these results)

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