A0A087XGN7_POEFO Loading...

Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN

Dual-specificity protein phosphatase, dephosphorylating tyrosine-, serine- and threonine-phosphorylated proteins. Also functions as a lipid phosphatase, removing the phosphate in the D3 position of the inositol ring of PtdIns(3,4,5)P3/phosphatidylinositol 3,4,5-trisphosphate, PtdIns(3,4)P2/phosphatidylinositol 3,4-diphosphate and PtdIns3P/phosphatidylinositol 3-phosphate with a preference for PtdIns(3,4,5)P3.

AlphaFold DB , UniProt , Accession A0A087XGN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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
1M48.9Very low58.3Low209 Ų20968.3 Ų68.3100%1.0338%0.378SS*.  0-66.90-68.8-68.7-97.900111.3A3 N4 L5M1-A3 PolarHBondContact O-N 2.96Å; M1-N4 PolarHBondContact O-N 2.82Å; M1-L5 PolarHBondContact O-N 2.87Å
2A50.7Low59.6Low73 Ų7368.5 Ų68.560%0.60337%0.369SS*.Hα-helixtrans-62.7-42.7-177.100000114.9N4 L5 I6A2-N4 PolarHBondContact O-N 2.82Å; A2-L5 PolarHBondContact O-N 3.11Å; A2-I6 WeakPolarHBondContact O-CG1 3.19Å; A2-I6 PolarHBondContact O-N 3.22Å; A2-I6 VanDerWaalsContact O-N 3.16Å
3A55.9Low60.8Low40 Ų4068.2 Ų68.233%0.33137%0.367SS..Hα-helixtrans-64.4-36.4-179.900000113.4M1 I6 K7M1-A3 PolarHBondContact O-N 2.96Å; A3-I6 PolarHBondContact O-N 2.85Å; A3-K7 WeakPolarHBondContact O-CG 3.44Å; A3-K7 PolarHBondContact O-N 3.27Å
4N60.5Low62.2Low81 Ų8164.5 Ų64.543%0.43335%0.346SS..Hα-helixtrans-68.8-39.2178.4-684.7000111.3M1 A2 I6 K7 E8M1-N4 PolarHBondContact O-N 2.82Å; A2-N4 PolarHBondContact O-N 2.82Å; N4-I6 VanDerWaalsContact C-N 3.32Å; N4-I6 PolarHBondContact O-N 3.31Å; N4-K7 PolarHBondContact O-N 2.76Å; N4-E8 PolarHBondContact O-N 3.24Å
5L61.2Low63.4Low104 Ų10467.5 Ų67.555%0.54535%0.35SS..Hα-helixtrans-61.1-41.3174.8-173.466.9000111.6M1 A2 E8 I9M1-L5 PolarHBondContact O-N 2.87Å; A2-L5 PolarHBondContact O-N 3.11Å; L5-E8 PolarHBondContact O-N 2.82Å; L5-I9 HydrophobicContact CG-CD1 4.3Å; L5-I9 WeakPolarHBondContact O-CD1 3.36Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 2.97Å; L5-I9 VanDerWaalsContact O-N 3.07Å
6I63.4Low64.9Low41 Ų4165.4 Ų65.421%0.2134%0.337CS..Hα-helixtrans-65.3-43.2176.4-65.3168.3000111A2 A3 N4 E8 I9 V10 L405A2-I6 WeakPolarHBondContact O-CG1 3.19Å; A2-I6 PolarHBondContact O-N 3.22Å; A2-I6 VanDerWaalsContact O-N 3.16Å; A3-I6 PolarHBondContact O-N 2.85Å; N4-I6 VanDerWaalsContact C-N 3.32Å; N4-I6 PolarHBondContact O-N 3.31Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 3.4Å; I6-I9 PolarHBondContact O-N 2.95Å; I6-V10 WeakPolarHBondContact O-CG2 3.11Å; I6-V10 PolarHBondContact O-N 3.46Å; I6-L405 HydrophobicContact CG2-CD2 3.66Å
7K64.8Low66Low21 Ų2163.2 Ų63.29%0.09132%0.323CS..Hα-helixtrans-62.6-40.4177.1-74.3178.5-178.7-172.60112A3 N4 V10 S11 R16 G45 V46 R48A3-K7 WeakPolarHBondContact O-CG 3.44Å; A3-K7 PolarHBondContact O-N 3.27Å; N4-K7 PolarHBondContact O-N 2.76Å; K7-V10 PolarHBondContact O-N 3.4Å; K7-S11 PolarHBondContact O-N 2.9Å; K7-S11 PolarHBondContact O-OG 3.36Å; K7-R16 PolarHBondContact O-NH1 2.57Å; K7-G45 WeakPolarHBondContact CE-O 3.47Å; K7-V46 WeakPolarHBondContact CE-O 3.46Å; K7-R48 WeakPolarHBondContact CE-O 3.44Å
8E57.7Low67Low94 Ų9465.2 Ų65.244%0.43933%0.331SS..Hα-helixtrans-60.5-45.7174-77.2-174.8164.300111.5N4 L5 I6 V10 S11 R12N4-E8 PolarHBondContact O-N 3.24Å; L5-E8 PolarHBondContact O-N 2.82Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 3.4Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.44Å; E8-S11 WeakPolarHBondContact CA-OG 3.45Å; E8-S11 PolarHBondContact O-N 3.08Å; E8-S11 PolarHBondContact O-OG 2.61Å; E8-R12 PolarHBondContact O-N 2.93Å
9I57.8Low67.7Low65 Ų6567.8 Ų67.833%0.33334%0.342SS..Hα-helixtrans-59.5-41.3177-68.6164.3000111.6L5 I6 R12 F401L5-I9 HydrophobicContact CG-CD1 4.3Å; L5-I9 WeakPolarHBondContact O-CD1 3.36Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 2.97Å; L5-I9 VanDerWaalsContact O-N 3.07Å; I6-I9 PolarHBondContact O-N 2.95Å; I9-R12 WeakPolarHBondContact O-CG 3.29Å; I9-R12 PolarHBondContact O-N 3.22Å; I9-F401 HydrophobicContact CD1-CE1 4.38Å; I9-F401 HydrophobicContact CG2-CD1 4.26Å; I9-F401 HydrophobicContact CG2-CG 4.42Å
10V60.8Low68.3Low20 Ų2070.1 Ų70.112%0.12136%0.355CS..Hα-helixtrans-74.8-31.9179.2174.30000112I6 K7 E8 Y47I6-V10 WeakPolarHBondContact O-CG2 3.11Å; I6-V10 PolarHBondContact O-N 3.46Å; K7-V10 PolarHBondContact O-N 3.4Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.44Å; V10-Y47 WeakPolarHBondContact CB-O 3.23Å; V10-Y47 HydrophobicContact CG1-CD2 4.44Å; V10-Y47 WeakPolarHBondContact CG1-O 3.46Å; V10-Y47 HydrophobicContact CG2-CD2 4.08Å
11S59.3Low69Low3 Ų370.3 Ų70.32%0.02138%0.375CS..Hα-helixtrans-76.3-23.7173.950.60000113.9K7 E8 N13 K14 R16K7-S11 PolarHBondContact O-N 2.9Å; K7-S11 PolarHBondContact O-OG 3.36Å; E8-S11 WeakPolarHBondContact CA-OG 3.45Å; E8-S11 PolarHBondContact O-N 3.08Å; E8-S11 PolarHBondContact O-OG 2.61Å; S11-N13 PolarHBondContact O-N 3.48Å; S11-K14 VanDerWaalsContact CA-CE 3.45Å; S11-K14 VanDerWaalsContact O-CB 3.24Å; S11-K14 WeakPolarHBondContact O-CB 3.33Å; S11-K14 WeakPolarHBondContact O-CE 3.43Å; S11-K14 WeakPolarHBondContact O-CG 3.48Å; S11-K14 PolarHBondContact O-N 3.38Å; S11-R16 VanDerWaalsContact OG-CD 3.25Å; S11-R16 WeakPolarHBondContact OG-CD 3.4Å; S11-R16 PolarHBondContact OG-NH1 3.41Å
12R73.8Confident70.8Confident71 Ų7161.3 Ų61.327%0.26833%0.33SS..THydrogen-bonded Turntrans52.5-125.5175.1-54.8163.3166.3-97.8-22.5110.6E8 I9 K14 E397 N398E8-R12 PolarHBondContact O-N 2.93Å; I9-R12 WeakPolarHBondContact O-CG 3.29Å; I9-R12 PolarHBondContact O-N 3.22Å; R12-K14 VanDerWaalsContact C-N 3.28Å; R12-K14 PolarHBondContact O-N 3.05Å; R12-E397 PolarHBondContact NH1-O 2.88Å; R12-E397 PolarHBondContact NH2-O 3.38Å; R12-N398 VanDerWaalsContact CZ-CA 3.5Å; R12-N398 PolarHBondContact NE-OD1 3.36Å; R12-N398 PolarHBondContact NH1-OD1 3.05Å; R12-N398 VanDerWaalsContact NH2-CA 3.28Å
13N75.4Confident72.6Confident65 Ų6559.5 Ų59.535%0.34831%0.31SS..THydrogen-bonded Turntrans-81.73.9-178.6-57.9-27.8000114S11 T161 R162 D163S11-N13 PolarHBondContact O-N 3.48Å; N13-T161 CarbonylContact O-C 3.46Å; N13-T161 WeakPolarHBondContact O-CA 3.39Å; N13-T161 WeakPolarHBondContact O-CB 3.23Å; N13-R162 PolarHBondContact O-N 2.99Å; N13-D163 HydrophobicContact CB-CB 4.26Å; N13-D163 WeakPolarHBondContact CB-OD2 3.34Å; N13-D163 PolarHBondContact ND2-OD2 3.45Å
14K80.8Confident74.3Confident16 Ų1657.6 Ų57.67%0.0730%0.295CS..BIsolated β-bridgetrans-72143.8177-65.8172.5-72.9173.70110.4S11 R12 R16 D25 A127S11-K14 VanDerWaalsContact CA-CE 3.45Å; S11-K14 VanDerWaalsContact O-CB 3.24Å; S11-K14 WeakPolarHBondContact O-CB 3.33Å; S11-K14 WeakPolarHBondContact O-CE 3.43Å; S11-K14 WeakPolarHBondContact O-CG 3.48Å; S11-K14 PolarHBondContact O-N 3.38Å; R12-K14 VanDerWaalsContact C-N 3.28Å; R12-K14 PolarHBondContact O-N 3.05Å; K14-R16 PolarHBondContact O-N 2.96Å; K14-D25 WeakPolarHBondContact CE-OD2 3.41Å; K14-D25 IonicContact NZ-OD2 3.54Å; K14-D25 PolarHBondContact NZ-OD2 2.77Å; K14-A127 WeakPolarHBondContact CD-O 3.33Å; K14-A127 PolarHBondContact NZ-O 3.46Å
15R79.8Confident75.8Confident109 Ų10954.2 Ų54.241%0.41128%0.277SS..PPolyproline II helixtrans-75.1120.4173.7-60.6-166.5-167.5-172.3-5.6108.9T27 E158 V159 R160 T161 R162R15-T27 HydrophobicContact CB-CG2 4.46Å; R15-T27 PolarHBondContact O-OG1 3.12Å; R15-E158 PolarHBondContact NE-O 3.42Å; R15-E158 PolarHBondContact NH2-O 3.16Å; R15-V159 WeakPolarHBondContact CD-O 3.4Å; R15-V159 PolarHBondContact NE-O 2.8Å; R15-R160 PolarHBondContact N-O 2.87Å; R15-R160 PolarHBondContact O-NH1 3Å; R15-R160 VanDerWaalsContact O-NH1 3.11Å; R15-T161 PolarHBondContact NE-O 3.39Å; R15-T161 VanDerWaalsContact NE-O 3.11Å; R15-R162 HydrophobicContact CG-CG 4.15Å
16R87.4Confident77.4Confident35 Ų3549.3 Ų49.313%0.13225%0.251CS..PPolyproline II helixtrans-91.6150.7176.2-5917970.880.48.9110K7 S11 K14 Q18 D23 L24K7-R16 PolarHBondContact O-NH1 2.57Å; S11-R16 VanDerWaalsContact OG-CD 3.25Å; S11-R16 WeakPolarHBondContact OG-CD 3.4Å; S11-R16 PolarHBondContact OG-NH1 3.41Å; K14-R16 PolarHBondContact O-N 2.96Å; R16-Q18 HydrophobicContact CB-CG 4.15Å; R16-D23 IonicContact CZ-OD1 3.16Å; R16-D23 VanDerWaalsContact CZ-OD1 3.23Å; R16-D23 IonicContact NE-OD1 3.85Å; R16-D23 PolarHBondContact NE-OD1 2.86Å; R16-D23 PolarHBondContact NH2-O 2.83Å; R16-D23 IonicContact NH2-OD1 2.78Å; R16-D23 PolarHBondContact NH2-OD1 3.47Å; R16-D23 IonicContact NH2-OD2 2.99Å; R16-L24 CarbonylContact C-O 3.58Å; R16-L24 WeakPolarHBondContact CA-O 3.41Å; R16-L24 WeakPolarHBondContact CB-O 3.25Å
17Y83.9Confident79Confident27 Ų2748.1 Ų48.111%0.10625%0.245CC..BIsolated β-bridgetrans-85.7114.6168-171.8-91.2000108.8E19 F22 D23 L24 L26 Y28 F57Y17-E19 HydrophobicContact CE1-CB 3.75Å; Y17-E19 HydrophobicContact CE2-CB 4.3Å; Y17-E19 HydrophobicContact CE2-CG 4.41Å; Y17-E19 WeakPolarHBondContact CE2-OE2 3.45Å; Y17-E19 WeakPolarHBondContact OH-CB 3.42Å; Y17-E19 PolarHBondContact OH-OE2 3.04Å; Y17-F22 HydrophobicContact CD1-CB 3.95Å; Y17-F22 HydrophobicContact CE1-CB 4.16Å; Y17-D23 CarbonylContact O-C 3.59Å; Y17-D23 VanDerWaalsContact O-CA 3.28Å; Y17-D23 WeakPolarHBondContact O-CA 3.32Å; Y17-L24 PolarHBondContact N-O 2.96Å; Y17-L24 PolarHBondContact O-N 3.07Å; Y17-L26 HydrophobicContact CG-CD2 4.5Å; Y17-L26 PolarHBondContact N-O 3Å; Y17-Y28 HydrophobicContact CD2-CE2 4.43Å; Y17-Y28 HydrophobicContact CE2-CE2 4.32Å; Y17-F57 HydrophobicContact CD1-CD2 4.32Å; Y17-F57 AromaticContact CD1-CE2 3.74Å; Y17-F57 HydrophobicContact CD1-CE2 3.74Å; Y17-F57 HydrophobicContact CD1-CZ 4.49Å; Y17-F57 HydrophobicContact CE1-CD2 4.16Å; Y17-F57 AromaticContact CE1-CE2 3.48Å; Y17-F57 HydrophobicContact CE1-CE2 3.48Å; Y17-F57 VanDerWaalsContact CE1-CE2 3.48Å; Y17-F57 HydrophobicContact CE1-CZ 4.42Å; Y17-F57 HydrophobicContact CE2-CE2 4.37Å; Y17-F57 HydrophobicContact CG-CE2 4.26Å; Y17-F57 AromaticContact CZ-CE2 3.83Å
18Q83.9Confident80.6Confident100 Ų10050 Ų5047%0.46725%0.252SS..  trans-12956.8-174.5-70.7-176.5-34.700111.1R16 F22 D23R16-Q18 HydrophobicContact CB-CG 4.15Å; Q18-F22 CarbonylContact C-O 3.59Å; Q18-F22 VanDerWaalsContact CA-O 3.25Å; Q18-F22 WeakPolarHBondContact CA-O 3.29Å; Q18-D23 PolarHBondContact NE2-OD1 3.23Å
19E80.1Confident82.5Confident115 Ų11545.9 Ų45.954%0.53723%0.233SC..  trans-135.6158.4-177.7-60.6174.317900110.5Y17 G21 F22Y17-E19 HydrophobicContact CE1-CB 3.75Å; Y17-E19 HydrophobicContact CE2-CB 4.3Å; Y17-E19 HydrophobicContact CE2-CG 4.41Å; Y17-E19 WeakPolarHBondContact CE2-OE2 3.45Å; Y17-E19 WeakPolarHBondContact OH-CB 3.42Å; Y17-E19 PolarHBondContact OH-OE2 3.04Å; E19-G21 PolarHBondContact O-N 2.84Å; E19-F22 PolarHBondContact N-O 2.91Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3.13Å
20D80.5Confident84.4Confident113 Ų11345.7 Ų45.760%0.60423%0.229SC*.THydrogen-bonded Turntrans5133.4175.1-58.9-33.4000115.2F22 K61D20-F22 VanDerWaalsContact C-N 3.31Å; D20-F22 HydrophobicContact CB-CD2 4.28Å; D20-F22 WeakPolarHBondContact O-CD2 3.35Å; D20-F22 PolarHBondContact O-N 3.1Å; D20-K61 IonicContact OD2-NZ 3Å; D20-K61 PolarHBondContact OD2-NZ 3.26Å
21G82.8Confident86.2Confident75 Ų7549.8 Ų49.877%0.77326%0.256SS*.THydrogen-bonded Turntrans78.110.2-179.100000114.8E19E19-G21 PolarHBondContact O-N 2.84Å
22F86.9Confident88.1Confident19 Ų1952.1 Ų52.18%0.08327%0.268CS..  trans-98.8144171.8-63.7-82.8000111.2Y17 Q18 E19 D20 L24 R56 F57Y17-F22 HydrophobicContact CD1-CB 3.95Å; Y17-F22 HydrophobicContact CE1-CB 4.16Å; Q18-F22 CarbonylContact C-O 3.59Å; Q18-F22 VanDerWaalsContact CA-O 3.25Å; Q18-F22 WeakPolarHBondContact CA-O 3.29Å; E19-F22 PolarHBondContact N-O 2.91Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3.13Å; D20-F22 VanDerWaalsContact C-N 3.31Å; D20-F22 HydrophobicContact CB-CD2 4.28Å; D20-F22 WeakPolarHBondContact O-CD2 3.35Å; D20-F22 PolarHBondContact O-N 3.1Å; F22-L24 HydrophobicContact CB-CD1 4.48Å; F22-L24 HydrophobicContact CB-CG 4.48Å; F22-L24 HydrophobicContact CD1-CD1 4.2Å; F22-R56 HydrophobicContact CE1-CB 4.2Å; F22-R56 HydrophobicContact CE1-CG 4.07Å; F22-R56 HydrophobicContact CZ-CG 4.08Å; F22-F57 HydrophobicContact CB-CD2 4.48Å; F22-F57 HydrophobicContact CD1-CB 3.84Å; F22-F57 HydrophobicContact CD1-CD2 4.17Å; F22-F57 AromaticContact CD2-CD2 4Å; F22-F57 HydrophobicContact CD2-CD2 4Å; F22-F57 HydrophobicContact CE1-CB 3.63Å; F22-F57 HydrophobicContact CE1-CD2 4.41Å; F22-F57 HydrophobicContact CE2-CD2 4.24Å; F22-F57 HydrophobicContact CG-CB 4.48Å; F22-F57 AromaticContact CG-CD2 3.96Å; F22-F57 HydrophobicContact CG-CD2 3.96Å; F22-F57 HydrophobicContact CZ-CB 4.1Å; F22-F57 HydrophobicContact CZ-CD2 4.43Å
23D88.6Confident89.3Confident35 Ų3549 Ų4919%0.18726%0.257CS..  trans-135.286.8168.9-179.78.4000108.8R16 Y17 Q18R16-D23 IonicContact CZ-OD1 3.16Å; R16-D23 VanDerWaalsContact CZ-OD1 3.23Å; R16-D23 IonicContact NE-OD1 3.85Å; R16-D23 PolarHBondContact NE-OD1 2.86Å; R16-D23 PolarHBondContact NH2-O 2.83Å; R16-D23 IonicContact NH2-OD1 2.78Å; R16-D23 PolarHBondContact NH2-OD1 3.47Å; R16-D23 IonicContact NH2-OD2 2.99Å; Y17-D23 CarbonylContact O-C 3.59Å; Y17-D23 VanDerWaalsContact O-CA 3.28Å; Y17-D23 WeakPolarHBondContact O-CA 3.32Å; Q18-D23 PolarHBondContact NE2-OD1 3.23Å
24L90.8Very high90.4Very high1 Ų145.9 Ų45.91%0.00524%0.24CC..BIsolated β-bridgetrans-120.6140.1-172.3-64.9175.4000111.2R16 Y17 F22 L26 N49 D53 V54 F57R16-L24 CarbonylContact C-O 3.58Å; R16-L24 WeakPolarHBondContact CA-O 3.41Å; R16-L24 WeakPolarHBondContact CB-O 3.25Å; Y17-L24 PolarHBondContact N-O 2.96Å; Y17-L24 PolarHBondContact O-N 3.07Å; F22-L24 HydrophobicContact CB-CD1 4.48Å; F22-L24 HydrophobicContact CB-CG 4.48Å; F22-L24 HydrophobicContact CD1-CD1 4.2Å; L24-L26 HydrophobicContact CB-CB 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.44Å; L24-L26 PolarHBondContact O-N 3Å; L24-N49 HydrophobicContact CD2-CB 4.22Å; L24-D53 HydrophobicContact CD2-CB 3.99Å; L24-V54 HydrophobicContact CD1-CG2 4.5Å; L24-V54 HydrophobicContact CD2-CG2 4.12Å; L24-F57 HydrophobicContact CD1-CB 3.68Å; L24-F57 HydrophobicContact CD1-CD1 4.42Å; L24-F57 HydrophobicContact CD1-CD2 4.25Å; L24-F57 HydrophobicContact CD1-CG 3.87Å
25D92.4Very high91.2Very high10 Ų1045.1 Ų45.15%0.05324%0.237CC..SBendtrans-70.880.4162.7-179.419.5000109.1K14 M36 G37 N49 R160K14-D25 WeakPolarHBondContact CE-OD2 3.41Å; K14-D25 IonicContact NZ-OD2 3.54Å; K14-D25 PolarHBondContact NZ-OD2 2.77Å; D25-M36 WeakPolarHBondContact O-CA 3.4Å; D25-M36 WeakPolarHBondContact O-CB 3.14Å; D25-G37 PolarHBondContact O-N 3.41Å; D25-N49 WeakPolarHBondContact CB-OD1 3.26Å; D25-N49 PolarHBondContact N-OD1 3.47Å; D25-N49 PolarHBondContact O-ND2 3.49Å; D25-R160 IonicContact OD1-CZ 3.64Å; D25-R160 VanDerWaalsContact OD1-CZ 3.25Å; D25-R160 IonicContact OD1-NH1 3.23Å; D25-R160 PolarHBondContact OD1-NH1 3.48Å; D25-R160 IonicContact OD1-NH2 2.7Å; D25-R160 PolarHBondContact OD1-NH2 2.8Å; D25-R160 IonicContact OD2-NH2 2.64Å
26L94.8Very high92Very high1 Ų140 Ų401%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-150.5138.3-170.9-173.9149.5000108.5Y17 L24 Y28 I34 M36 F57Y17-L26 HydrophobicContact CG-CD2 4.5Å; Y17-L26 PolarHBondContact N-O 3Å; L24-L26 HydrophobicContact CB-CB 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.44Å; L24-L26 PolarHBondContact O-N 3Å; L26-Y28 HydrophobicContact CD2-CD2 4.31Å; L26-Y28 HydrophobicContact CD2-CE2 4.06Å; L26-I34 HydrophobicContact CD1-CG2 3.86Å; L26-I34 HydrophobicContact CD2-CG2 3.77Å; L26-I34 HydrophobicContact CG-CG2 3.49Å; L26-I34 VanDerWaalsContact CG-CG2 3.49Å; L26-M36 HydrophobicContact CB-CB 4.2Å; L26-M36 HydrophobicContact CD1-CB 4.34Å; L26-M36 HydrophobicContact CD1-SD 4.4Å; L26-M36 HydrophobicContact CG-CB 4.16Å; L26-F57 HydrophobicContact CD1-CD1 3.77Å; L26-F57 HydrophobicContact CD1-CE1 3.52Å; L26-F57 HydrophobicContact CD1-CZ 4.21Å; L26-F57 HydrophobicContact CD2-CE1 3.88Å; L26-F57 HydrophobicContact CD2-CZ 3.84Å; L26-F57 HydrophobicContact CG-CE1 4.39Å
27T96.9Very high92.3Very high15 Ų1538.4 Ų38.49%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-143.6131.8177.5-46.90000109.9R15 I29 I34 A35 V159 R160R15-T27 HydrophobicContact CB-CG2 4.46Å; R15-T27 PolarHBondContact O-OG1 3.12Å; T27-I29 HydrophobicContact CG2-CD1 4.37Å; T27-I29 PolarHBondContact O-N 2.92Å; T27-I34 WeakPolarHBondContact O-CA 3.47Å; T27-A35 PolarHBondContact N-O 3.23Å; T27-A35 PolarHBondContact O-N 2.97Å; T27-V159 HydrophobicContact CG2-CG1 4.14Å; T27-R160 WeakPolarHBondContact OG1-CD 3.08Å; T27-R160 PolarHBondContact OG1-NH1 3.26Å
28Y97.9Very high92.8Very high62 Ų6237.5 Ų37.524%0.24321%0.209CC..EExtended strand (participates in β ladder)trans-73.7111.2164.4-70-91.7000108.8Y17 L26 P31 I34 F57 H62Y17-Y28 HydrophobicContact CD2-CE2 4.43Å; Y17-Y28 HydrophobicContact CE2-CE2 4.32Å; L26-Y28 HydrophobicContact CD2-CD2 4.31Å; L26-Y28 HydrophobicContact CD2-CE2 4.06Å; Y28-P31 WeakPolarHBondContact CD1-O 3.27Å; Y28-I34 HydrophobicContact CD1-CD1 4.15Å; Y28-I34 HydrophobicContact CD1-CG1 3.53Å; Y28-I34 HydrophobicContact CE1-CD1 3.5Å; Y28-I34 VanDerWaalsContact CE1-CD1 3.5Å; Y28-I34 HydrophobicContact CE1-CG1 3.44Å; Y28-I34 VanDerWaalsContact CE1-CG1 3.44Å; Y28-I34 HydrophobicContact CG-CG1 4.15Å; Y28-F57 AromaticContact CE2-CZ 3.9Å; Y28-F57 HydrophobicContact CE2-CZ 3.9Å; Y28-F57 AromaticContact CZ-CZ 3.98Å; Y28-F57 VanDerWaalsContact OH-CZ 3.25Å; Y28-F57 WeakPolarHBondContact OH-CZ 3.45Å; Y28-H62 AromaticContact CE1-NE2 3.66Å; Y28-H62 AromaticContact CZ-NE2 3.62Å; Y28-H62 PolarHBondContact OH-NE2 3.08Å
29I98.4Very high93.3Very high7 Ų732.8 Ų32.84%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-75.7-40.6170.8-55.2-55.8000109.4T27 I33 A35 I136 L140 F155 Y156 V159 R160T27-I29 HydrophobicContact CG2-CD1 4.37Å; T27-I29 PolarHBondContact O-N 2.92Å; I29-I33 PolarHBondContact N-O 3.35Å; I29-A35 HydrophobicContact CD1-CB 3.93Å; I29-A35 HydrophobicContact CG1-CB 3.7Å; I29-I136 HydrophobicContact CG1-CD1 4.09Å; I29-I136 HydrophobicContact CG2-CG2 4.01Å; I29-L140 HydrophobicContact CG2-CD1 4.4Å; I29-F155 HydrophobicContact CG2-CD1 4.39Å; I29-F155 HydrophobicContact CG2-CE1 3.72Å; I29-Y156 HydrophobicContact CD1-CD2 3.81Å; I29-Y156 HydrophobicContact CD1-CE2 3.71Å; I29-Y156 HydrophobicContact CG1-CD2 4.1Å; I29-Y156 HydrophobicContact CG1-CE2 3.97Å; I29-Y156 HydrophobicContact CG2-CD2 4.3Å; I29-V159 HydrophobicContact CD1-CB 4.4Å; I29-V159 HydrophobicContact CD1-CG1 4Å; I29-R160 HydrophobicContact CD1-CB 3.98Å
30Y98.3Very high93.7Very high60 Ų6027.3 Ų27.324%0.23516%0.161CC..EExtended strand (participates in β ladder)trans-132.2165.6164.2-88.5-95.2000108.4N32 I33 L140 F155Y30-N32 PolarHBondContact O-N 2.97Å; Y30-I33 HydrophobicContact CD2-CD1 4.4Å; Y30-I33 PolarHBondContact N-O 3.03Å; Y30-I33 CarbonylContact O-C 3.51Å; Y30-I33 PolarHBondContact O-N 3.14Å; Y30-L140 HydrophobicContact CD2-CD1 4.42Å; Y30-L140 HydrophobicContact CD2-CD2 3.66Å; Y30-L140 HydrophobicContact CE2-CD1 4.05Å; Y30-L140 HydrophobicContact CE2-CD2 3.44Å; Y30-L140 VanDerWaalsContact CE2-CD2 3.44Å; Y30-L140 HydrophobicContact CE2-CG 4.4Å; Y30-F155 HydrophobicContact CD2-CE1 4.03Å; Y30-F155 HydrophobicContact CD2-CZ 4.3Å; Y30-F155 HydrophobicContact CE2-CD1 4.43Å; Y30-F155 AromaticContact CE2-CE1 3.46Å; Y30-F155 HydrophobicContact CE2-CE1 3.46Å; Y30-F155 VanDerWaalsContact CE2-CE1 3.46Å; Y30-F155 AromaticContact CE2-CZ 3.71Å; Y30-F155 HydrophobicContact CE2-CZ 3.71Å
31P98.1Very high93.9Very high106 Ų10625 Ų2569%0.68815%0.147SC*.THydrogen-bonded Turntrans-51.7-33.4179-29.136.7000114.2Y28Y28-P31 WeakPolarHBondContact CD1-O 3.27Å
32N98.4Very high93.4Very high53 Ų5331.9 Ų31.928%0.28315%0.149SC..THydrogen-bonded Turntrans-106.97.4179.262-17000114.7Y30 L113 H119 V120 A121Y30-N32 PolarHBondContact O-N 2.97Å; N32-L113 HydrophobicContact CB-CD2 4.18Å; N32-H119 VanDerWaalsContact CB-O 3.27Å; N32-H119 WeakPolarHBondContact CB-O 3.26Å; N32-V120 WeakPolarHBondContact O-CA 3.47Å; N32-A121 PolarHBondContact O-N 3.42Å
33I98.8Very high92.2Very high5 Ų536.2 Ų36.23%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-130.2112.6-179.5-52.3172.4000109.6I29 Y30 L113 I123 I136 Y139 L140I29-I33 PolarHBondContact N-O 3.35Å; Y30-I33 HydrophobicContact CD2-CD1 4.4Å; Y30-I33 PolarHBondContact N-O 3.03Å; Y30-I33 CarbonylContact O-C 3.51Å; Y30-I33 PolarHBondContact O-N 3.14Å; I33-L113 HydrophobicContact CG1-CD1 4.08Å; I33-I123 HydrophobicContact CG2-CD1 3.95Å; I33-I136 HydrophobicContact CG2-CD1 4.16Å; I33-I136 HydrophobicContact CG2-CG1 4.25Å; I33-I136 HydrophobicContact CG2-CG2 4.41Å; I33-Y139 HydrophobicContact CD1-CD1 3.85Å; I33-Y139 HydrophobicContact CD1-CE1 3.66Å; I33-L140 HydrophobicContact CD1-CD2 3.98Å
34I98.8Very high91.1Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-104.2131.9179-64.9169.9000109.7L26 T27 Y28 M36 F57 L58 V120 A121 A122 I123L26-I34 HydrophobicContact CD1-CG2 3.86Å; L26-I34 HydrophobicContact CD2-CG2 3.77Å; L26-I34 HydrophobicContact CG-CG2 3.49Å; L26-I34 VanDerWaalsContact CG-CG2 3.49Å; T27-I34 WeakPolarHBondContact O-CA 3.47Å; Y28-I34 HydrophobicContact CD1-CD1 4.15Å; Y28-I34 HydrophobicContact CD1-CG1 3.53Å; Y28-I34 HydrophobicContact CE1-CD1 3.5Å; Y28-I34 VanDerWaalsContact CE1-CD1 3.5Å; Y28-I34 HydrophobicContact CE1-CG1 3.44Å; Y28-I34 VanDerWaalsContact CE1-CG1 3.44Å; Y28-I34 HydrophobicContact CG-CG1 4.15Å; I34-M36 HydrophobicContact CG2-CB 4.32Å; I34-F57 HydrophobicContact CD1-CE1 4.31Å; I34-L58 HydrophobicContact CD1-CD2 4.17Å; I34-V120 HydrophobicContact CD1-CG1 3.62Å; I34-V120 HydrophobicContact CG1-CG1 3.98Å; I34-A121 PolarHBondContact N-O 3.14Å; I34-A122 HydrophobicContact CB-CB 4.13Å; I34-A122 HydrophobicContact CG2-CB 4.27Å; I34-I123 PolarHBondContact O-N 2.7Å
35A98.4Very high89.6Confident0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-102.5129.2162.300000109.4T27 I29 T132 I136 Y156T27-A35 PolarHBondContact N-O 3.23Å; T27-A35 PolarHBondContact O-N 2.97Å; I29-A35 HydrophobicContact CD1-CB 3.93Å; I29-A35 HydrophobicContact CG1-CB 3.7Å; A35-T132 HydrophobicContact CB-CG2 3.76Å; A35-I136 HydrophobicContact CB-CD1 3.78Å; A35-Y156 HydrophobicContact CB-CE2 4.11Å
36M97.2Very high88.1Confident0 Ų039.3 Ų39.30%019%0.191CC..EExtended strand (participates in β ladder)trans-140.8161.1179.967.3-179.5-176.400113.6D25 L26 I34 V54 I68 A122 I123 H124 G128D25-M36 WeakPolarHBondContact O-CA 3.4Å; D25-M36 WeakPolarHBondContact O-CB 3.14Å; L26-M36 HydrophobicContact CB-CB 4.2Å; L26-M36 HydrophobicContact CD1-CB 4.34Å; L26-M36 HydrophobicContact CD1-SD 4.4Å; L26-M36 HydrophobicContact CG-CB 4.16Å; I34-M36 HydrophobicContact CG2-CB 4.32Å; M36-V54 HydrophobicContact CE-CG1 4.41Å; M36-V54 HydrophobicContact SD-CG1 3.98Å; M36-I68 HydrophobicContact CE-CD1 4.27Å; M36-I68 HydrophobicContact CE-CG2 4.14Å; M36-A122 HydrophobicContact CE-CB 3.94Å; M36-A122 HydrophobicContact SD-CB 4.13Å; M36-I123 PolarHBondContact N-O 2.9Å; M36-I123 VanDerWaalsContact N-O 3.11Å; M36-H124 HydrophobicContact CE-CB 3.95Å; M36-H124 HydrophobicContact CG-CB 3.56Å; M36-H124 WeakPolarHBondContact O-CA 3.34Å; M36-H124 VanDerWaalsContact O-CB 3.27Å; M36-H124 WeakPolarHBondContact O-CB 3.48Å; M36-G128 WeakPolarHBondContact O-CA 3.36Å
37G92.9Very high86.6Confident3 Ų340.8 Ų40.83%0.03120%0.197CC..  trans-72.3166.9166.700000112.2D25D25-G37 PolarHBondContact O-N 3.41Å
38F94.4Very high85.8Confident8 Ų841.1 Ų41.14%0.03520%0.196CC..  trans-59.1129.1-177.5-172.5-102.5000112.3A40 R75 Y77 H124 C125 K126F38-A40 HydrophobicContact CD1-CB 4.05Å; F38-A40 HydrophobicContact CE1-CB 4.44Å; F38-A40 PolarHBondContact O-N 3.37Å; F38-A40 VanDerWaalsContact O-N 3.15Å; F38-R75 HydrophobicContact CD2-CB 4.35Å; F38-R75 HydrophobicContact CE1-CB 4.47Å; F38-R75 HydrophobicContact CE2-CB 3.57Å; F38-R75 HydrophobicContact CZ-CB 3.64Å; F38-R75 HydrophobicContact CZ-CG 4.34Å; F38-Y77 HydrophobicContact CE1-CD1 4.48Å; F38-Y77 AromaticContact CE2-CD1 3.74Å; F38-Y77 HydrophobicContact CE2-CD1 3.74Å; F38-Y77 AromaticContact CE2-CE1 3.9Å; F38-Y77 HydrophobicContact CE2-CE1 3.9Å; F38-Y77 AromaticContact CZ-CD1 3.65Å; F38-Y77 HydrophobicContact CZ-CD1 3.65Å; F38-Y77 HydrophobicContact CZ-CE1 4.28Å; F38-H124 AromaticContact CD2-CE1 3.7Å; F38-H124 AromaticContact CD2-ND1 3.84Å; F38-C125 WeakPolarHBondContact CA-O 3.05Å; F38-C125 WeakPolarHBondContact CB-O 3.18Å; F38-C125 PolarHBondContact N-O 3.38Å; F38-K126 WeakPolarHBondContact CB-O 3.39Å; F38-K126 PolarHBondContact N-O 3.21Å; F38-K126 VanDerWaalsContact N-O 3.13Å
39P93.9Very high85.3Confident0 Ų038.2 Ų38.20%019%0.185CC..EExtended strand (participates in β ladder)trans-75.999.4172.131.1-32.2000109.2I51 V54 Y77 F82P39-I51 HydrophobicContact CB-CB 4.17Å; P39-I51 HydrophobicContact CB-CD1 4.32Å; P39-I51 HydrophobicContact CB-CG1 4.01Å; P39-V54 HydrophobicContact CB-CG2 4.3Å; P39-Y77 HydrophobicContact CG-CD1 3.89Å; P39-Y77 HydrophobicContact CG-CE1 3.47Å; P39-Y77 VanDerWaalsContact CG-CE1 3.47Å; P39-F82 HydrophobicContact CB-CE2 4.48Å; P39-F82 HydrophobicContact CB-CZ 4.12Å; P39-F82 HydrophobicContact CG-CE2 4.28Å; P39-F82 HydrophobicContact CG-CZ 4.27Å
40A89.6Confident84.9Confident0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-89.2140.6-171.900000112.3F38 E44 R48 N49 I51F38-A40 HydrophobicContact CD1-CB 4.05Å; F38-A40 HydrophobicContact CE1-CB 4.44Å; F38-A40 PolarHBondContact O-N 3.37Å; F38-A40 VanDerWaalsContact O-N 3.15Å; A40-E44 HydrophobicContact CB-CB 3.71Å; A40-R48 HydrophobicContact CB-CB 3.96Å; A40-N49 PolarHBondContact N-O 2.91Å; A40-I51 PolarHBondContact O-N 2.84Å
41E83.3Confident84.8Confident66 Ų6637.4 Ų37.431%0.30819%0.185SC..  trans-87152169.2-65.8-177.9-174.600110.9I51 D78E41-I51 HydrophobicContact CG-CD1 4.39Å; E41-I51 HydrophobicContact CG-CG2 4.08Å; E41-D78 PolarHBondContact OE1-N 3.06Å
42R72.7Confident84.5Confident219 Ų21936.4 Ų36.483%0.82617%0.174SC*.G310 helixtrans56.1-137.3168.4-53178.1-174.1-171.20.1113.3E44 G45R42-E44 PolarHBondContact O-N 3.22Å; R42-G45 PolarHBondContact O-N 3.05Å
43L61.6Low84.3Confident110 Ų11035.8 Ų35.858%0.57617%0.17SC*.G310 helixtrans-61-28-172.7-69.9169.2000113.3G45 V46 I409L43-G45 PolarHBondContact O-N 3.17Å; L43-V46 WeakPolarHBondContact O-CB 3.4Å; L43-V46 WeakPolarHBondContact O-CG2 3.45Å; L43-V46 PolarHBondContact O-N 3.07Å; L43-I409 HydrophobicContact CD2-CG2 4.47Å
44E65.4Low84.2Confident49 Ų4935.6 Ų35.623%0.22917%0.169CC..G310 helixtrans-67.3-25.1175-69.3-156.9159.500112.5A40 R42 V46 Y47 R48 R75A40-E44 HydrophobicContact CB-CB 3.71Å; R42-E44 PolarHBondContact O-N 3.22Å; E44-V46 PolarHBondContact O-N 3.44Å; E44-Y47 HydrophobicContact CB-CE1 4.18Å; E44-Y47 HydrophobicContact CG-CE1 4.27Å; E44-Y47 WeakPolarHBondContact CG-OH 2.96Å; E44-Y47 PolarHBondContact O-N 3.09Å; E44-R48 WeakPolarHBondContact O-CB 3.3Å; E44-R48 PolarHBondContact O-N 3.11Å; E44-R75 IonicContact OE1-CZ 2.87Å; E44-R75 IonicContact OE1-NH1 3.19Å; E44-R75 PolarHBondContact OE1-NH1 3.13Å; E44-R75 IonicContact OE1-NH2 2.71Å; E44-R75 PolarHBondContact OE1-NH2 3.29Å; E44-R75 IonicContact OE2-CZ 2.72Å; E44-R75 IonicContact OE2-NH1 3.39Å; E44-R75 PolarHBondContact OE2-NH1 3.22Å; E44-R75 IonicContact OE2-NH2 2.8Å
45G60.5Low84Confident4 Ų436.6 Ų36.64%0.04118%0.175CC..G310 helixtrans-69-8.7174.400000114.5K7 R42 L43 R48K7-G45 WeakPolarHBondContact CE-O 3.47Å; R42-G45 PolarHBondContact O-N 3.05Å; L43-G45 PolarHBondContact O-N 3.17Å; G45-R48 VanDerWaalsContact O-O 3.05Å
46V59.8Low83.9Confident58 Ų5842.6 Ų42.635%0.35220%0.198SC..G310 helixtrans-70.9-36.4174.4178.40000110.9K7 L43 E44K7-V46 WeakPolarHBondContact CE-O 3.46Å; L43-V46 WeakPolarHBondContact O-CB 3.4Å; L43-V46 WeakPolarHBondContact O-CG2 3.45Å; L43-V46 PolarHBondContact O-N 3.07Å; E44-V46 PolarHBondContact O-N 3.44Å
47Y64.4Low84Confident32 Ų3242.6 Ų42.613%0.12520%0.198CC..THydrogen-bonded Turntrans-113.3-6.1-177.666.6-93.3000113.7V10 E44V10-Y47 WeakPolarHBondContact CB-O 3.23Å; V10-Y47 HydrophobicContact CG1-CD2 4.44Å; V10-Y47 WeakPolarHBondContact CG1-O 3.46Å; V10-Y47 HydrophobicContact CG2-CD2 4.08Å; E44-Y47 HydrophobicContact CB-CE1 4.18Å; E44-Y47 HydrophobicContact CG-CE1 4.27Å; E44-Y47 WeakPolarHBondContact CG-OH 2.96Å; E44-Y47 PolarHBondContact O-N 3.09Å
48R80.3Confident84.2Confident21 Ų2142.4 Ų42.48%0.07920%0.196CC..SBendtrans-118.5-173.1171.6-66.2-163.8171.1-177.81.8112.5K7 A40 E44 G45 N50 K126K7-R48 WeakPolarHBondContact CE-O 3.44Å; A40-R48 HydrophobicContact CB-CB 3.96Å; E44-R48 WeakPolarHBondContact O-CB 3.3Å; E44-R48 PolarHBondContact O-N 3.11Å; G45-R48 VanDerWaalsContact O-O 3.05Å; R48-N50 PolarHBondContact O-N 2.69Å; R48-K126 PolarHBondContact NH1-O 3.16Å
49N86.1Confident84.3Confident2 Ų245 Ų451%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-62.2120.6167.1-68.7-10.3000108.4L24 D25 A40 I51 V54L24-N49 HydrophobicContact CD2-CB 4.22Å; D25-N49 WeakPolarHBondContact CB-OD1 3.26Å; D25-N49 PolarHBondContact N-OD1 3.47Å; D25-N49 PolarHBondContact O-ND2 3.49Å; A40-N49 PolarHBondContact N-O 2.91Å; N49-I51 PolarHBondContact O-N 3.06Å; N49-V54 HydrophobicContact CB-CG2 3.7Å
50N91.2Very high84.4Confident47 Ų4748.5 Ų48.525%0.25124%0.235SC..EExtended strand (participates in β ladder)trans-68.4128.4167.6-179.4-43.4000107.6R48 D52 D53 V54R48-N50 PolarHBondContact O-N 2.69Å; N50-D52 PolarHBondContact O-N 2.95Å; N50-D52 WeakPolarHBondContact OD1-CB 3.2Å; N50-D52 PolarHBondContact OD1-N 3.34Å; N50-D53 HydrophobicContact CB-CB 4.39Å; N50-D53 PolarHBondContact O-N 2.83Å; N50-D53 VanDerWaalsContact O-N 3.12Å; N50-V54 PolarHBondContact O-N 3.46Å; N50-V54 VanDerWaalsContact O-N 3.15Å
51I94.3Very high84.8Confident3 Ų352.5 Ų52.52%0.01525%0.252CS..Hα-helixtrans-55.3-37.2-178.3-170.6159.1000112.8P39 A40 E41 N49 D53 V54 V55 Y77 K81 F82P39-I51 HydrophobicContact CB-CB 4.17Å; P39-I51 HydrophobicContact CB-CD1 4.32Å; P39-I51 HydrophobicContact CB-CG1 4.01Å; A40-I51 PolarHBondContact O-N 2.84Å; E41-I51 HydrophobicContact CG-CD1 4.39Å; E41-I51 HydrophobicContact CG-CG2 4.08Å; N49-I51 PolarHBondContact O-N 3.06Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 3.42Å; I51-V54 PolarHBondContact O-N 3.48Å; I51-V54 VanDerWaalsContact O-N 3.17Å; I51-V55 HydrophobicContact CG1-CG2 4.44Å; I51-V55 WeakPolarHBondContact O-CG2 3.41Å; I51-V55 PolarHBondContact O-N 3.04Å; I51-Y77 HydrophobicContact CD1-CD2 4.01Å; I51-Y77 HydrophobicContact CD1-CG 4.02Å; I51-K81 HydrophobicContact CD1-CB 4.45Å; I51-K81 HydrophobicContact CD1-CD 3.59Å; I51-K81 HydrophobicContact CG1-CD 3.92Å; I51-K81 HydrophobicContact CG2-CD 4.04Å; I51-F82 HydrophobicContact CD1-CE2 3.7Å; I51-F82 HydrophobicContact CD1-CZ 4.16Å; I51-F82 HydrophobicContact CG1-CE2 3.87Å; I51-F82 HydrophobicContact CG1-CZ 3.79Å
52D93.2Very high85.4Confident85 Ų8550.9 Ų50.946%0.45525%0.245SC..Hα-helixtrans-70.5-32.3-178.2-59.3-33.7000111.4N50 R56 K81N50-D52 PolarHBondContact O-N 2.95Å; N50-D52 WeakPolarHBondContact OD1-CB 3.2Å; N50-D52 PolarHBondContact OD1-N 3.34Å; D52-R56 WeakPolarHBondContact O-CB 3.48Å; D52-R56 PolarHBondContact O-N 2.92Å; D52-K81 IonicContact OD1-NZ 2.61Å; D52-K81 PolarHBondContact OD1-NZ 3.3Å
53D93.7Very high86.6Confident40 Ų4047.3 Ų47.321%0.21424%0.235CC..Hα-helixtrans-69.6-36.1172.1-70.5-39.6000111.5L24 N50 I51 R56 F57L24-D53 HydrophobicContact CD2-CB 3.99Å; N50-D53 HydrophobicContact CB-CB 4.39Å; N50-D53 PolarHBondContact O-N 2.83Å; N50-D53 VanDerWaalsContact O-N 3.12Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 3.42Å; D53-R56 IonicContact OD1-CZ 2.57Å; D53-R56 IonicContact OD1-NH1 3.53Å; D53-R56 PolarHBondContact OD1-NH1 2.85Å; D53-R56 IonicContact OD1-NH2 3.36Å; D53-R56 PolarHBondContact OD1-NH2 3.02Å; D53-F57 VanDerWaalsContact O-CB 3.32Å; D53-F57 WeakPolarHBondContact O-CB 3.36Å; D53-F57 PolarHBondContact O-N 3.15Å
54V96.1Very high88.3Confident0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-67.8-44.1175.6179.70000110.7L24 M36 P39 N49 N50 I51 F57 L58 F82L24-V54 HydrophobicContact CD1-CG2 4.5Å; L24-V54 HydrophobicContact CD2-CG2 4.12Å; M36-V54 HydrophobicContact CE-CG1 4.41Å; M36-V54 HydrophobicContact SD-CG1 3.98Å; P39-V54 HydrophobicContact CB-CG2 4.3Å; N49-V54 HydrophobicContact CB-CG2 3.7Å; N50-V54 PolarHBondContact O-N 3.46Å; N50-V54 VanDerWaalsContact O-N 3.15Å; I51-V54 PolarHBondContact O-N 3.48Å; I51-V54 VanDerWaalsContact O-N 3.17Å; V54-F57 WeakPolarHBondContact O-CB 3.39Å; V54-F57 PolarHBondContact O-N 3.37Å; V54-L58 HydrophobicContact CG1-CD1 4.01Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.44Å; V54-F82 HydrophobicContact CG1-CE1 4.02Å; V54-F82 HydrophobicContact CG1-CZ 4.15Å
55V96.3Very high89.8Confident22 Ų2246.9 Ų46.913%0.13323%0.233CC..Hα-helixtrans-59.6-50.2173.9172.70000110.1I51 F57 L58 D59 K81 F82I51-V55 HydrophobicContact CG1-CG2 4.44Å; I51-V55 WeakPolarHBondContact O-CG2 3.41Å; I51-V55 PolarHBondContact O-N 3.04Å; V55-F57 VanDerWaalsContact C-N 3.26Å; V55-F57 PolarHBondContact O-N 2.89Å; V55-L58 PolarHBondContact O-N 3.02Å; V55-D59 WeakPolarHBondContact CG1-OD2 3.43Å; V55-D59 WeakPolarHBondContact O-CB 3.41Å; V55-D59 PolarHBondContact O-N 3.34Å; V55-K81 HydrophobicContact CG2-CB 4.2Å; V55-K81 WeakPolarHBondContact CG2-O 3.34Å; V55-F82 HydrophobicContact CB-CE1 4.49Å; V55-F82 HydrophobicContact CG2-CD1 3.82Å; V55-F82 HydrophobicContact CG2-CE1 3.47Å; V55-F82 VanDerWaalsContact CG2-CE1 3.47Å; V55-F82 HydrophobicContact CG2-CZ 3.96Å
56R96.3Very high91.6Very high125 Ų12546.8 Ų46.847%0.47223%0.231SC..Hα-helixtrans-56.3-42.5177-174.3179.272.8-125.4-3.7111.5F22 D52 D53 S60F22-R56 HydrophobicContact CE1-CB 4.2Å; F22-R56 HydrophobicContact CE1-CG 4.07Å; F22-R56 HydrophobicContact CZ-CG 4.08Å; D52-R56 WeakPolarHBondContact O-CB 3.48Å; D52-R56 PolarHBondContact O-N 2.92Å; D53-R56 IonicContact OD1-CZ 2.57Å; D53-R56 IonicContact OD1-NH1 3.53Å; D53-R56 PolarHBondContact OD1-NH1 2.85Å; D53-R56 IonicContact OD1-NH2 3.36Å; D53-R56 PolarHBondContact OD1-NH2 3.02Å; R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.46Å; R56-S60 PolarHBondContact O-OG 3.01Å
57F97.5Very high93.5Very high0 Ų045.8 Ų45.80%022%0.222CC..Hα-helixtrans-61.1-55.4177.4173-97.3000111.3Y17 F22 L24 L26 Y28 I34 D53 V54 V55 D59 S60 K61Y17-F57 HydrophobicContact CD1-CD2 4.32Å; Y17-F57 AromaticContact CD1-CE2 3.74Å; Y17-F57 HydrophobicContact CD1-CE2 3.74Å; Y17-F57 HydrophobicContact CD1-CZ 4.49Å; Y17-F57 HydrophobicContact CE1-CD2 4.16Å; Y17-F57 AromaticContact CE1-CE2 3.48Å; Y17-F57 HydrophobicContact CE1-CE2 3.48Å; Y17-F57 VanDerWaalsContact CE1-CE2 3.48Å; Y17-F57 HydrophobicContact CE1-CZ 4.42Å; Y17-F57 HydrophobicContact CE2-CE2 4.37Å; Y17-F57 HydrophobicContact CG-CE2 4.26Å; Y17-F57 AromaticContact CZ-CE2 3.83Å; F22-F57 HydrophobicContact CB-CD2 4.48Å; F22-F57 HydrophobicContact CD1-CB 3.84Å; F22-F57 HydrophobicContact CD1-CD2 4.17Å; F22-F57 AromaticContact CD2-CD2 4Å; F22-F57 HydrophobicContact CD2-CD2 4Å; F22-F57 HydrophobicContact CE1-CB 3.63Å; F22-F57 HydrophobicContact CE1-CD2 4.41Å; F22-F57 HydrophobicContact CE2-CD2 4.24Å; F22-F57 HydrophobicContact CG-CB 4.48Å; F22-F57 AromaticContact CG-CD2 3.96Å; F22-F57 HydrophobicContact CG-CD2 3.96Å; F22-F57 HydrophobicContact CZ-CB 4.1Å; F22-F57 HydrophobicContact CZ-CD2 4.43Å; L24-F57 HydrophobicContact CD1-CB 3.68Å; L24-F57 HydrophobicContact CD1-CD1 4.42Å; L24-F57 HydrophobicContact CD1-CD2 4.25Å; L24-F57 HydrophobicContact CD1-CG 3.87Å; L26-F57 HydrophobicContact CD1-CD1 3.77Å; L26-F57 HydrophobicContact CD1-CE1 3.52Å; L26-F57 HydrophobicContact CD1-CZ 4.21Å; L26-F57 HydrophobicContact CD2-CE1 3.88Å; L26-F57 HydrophobicContact CD2-CZ 3.84Å; L26-F57 HydrophobicContact CG-CE1 4.39Å; Y28-F57 AromaticContact CE2-CZ 3.9Å; Y28-F57 HydrophobicContact CE2-CZ 3.9Å; Y28-F57 AromaticContact CZ-CZ 3.98Å; Y28-F57 VanDerWaalsContact OH-CZ 3.25Å; Y28-F57 WeakPolarHBondContact OH-CZ 3.45Å; I34-F57 HydrophobicContact CD1-CE1 4.31Å; D53-F57 VanDerWaalsContact O-CB 3.32Å; D53-F57 WeakPolarHBondContact O-CB 3.36Å; D53-F57 PolarHBondContact O-N 3.15Å; V54-F57 WeakPolarHBondContact O-CB 3.39Å; V54-F57 PolarHBondContact O-N 3.37Å; V55-F57 VanDerWaalsContact C-N 3.26Å; V55-F57 PolarHBondContact O-N 2.89Å; F57-D59 PolarHBondContact O-N 2.91Å; F57-S60 PolarHBondContact O-N 2.76Å; F57-S60 PolarHBondContact O-OG 3.46Å; F57-K61 HydrophobicContact CD2-CG 4.24Å; F57-K61 HydrophobicContact CE2-CG 4.01Å; F57-K61 HydrophobicContact CZ-CG 4.37Å; F57-K61 WeakPolarHBondContact O-CB 3.26Å; F57-K61 WeakPolarHBondContact O-CG 2.96Å; F57-K61 PolarHBondContact O-N 3Å
58L97.6Very high95.1Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-64.5-39.7-177.3-68.4174.5000112.5I34 V54 V55 H62 K63 Y66 I68 F82I34-L58 HydrophobicContact CD1-CD2 4.17Å; V54-L58 HydrophobicContact CG1-CD1 4.01Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 3.02Å; L58-H62 CarbonylContact O-C 3.54Å; L58-H62 VanDerWaalsContact O-CA 3.26Å; L58-H62 WeakPolarHBondContact O-CA 3.47Å; L58-H62 WeakPolarHBondContact O-CB 3.43Å; L58-H62 PolarHBondContact O-N 2.58Å; L58-K63 PolarHBondContact O-N 3.48Å; L58-Y66 HydrophobicContact CB-CD1 3.67Å; L58-Y66 HydrophobicContact CB-CD2 4.3Å; L58-Y66 HydrophobicContact CB-CE1 3.67Å; L58-Y66 HydrophobicContact CB-CE2 4.31Å; L58-Y66 HydrophobicContact CB-CG 3.99Å; L58-Y66 HydrophobicContact CD1-CD2 3.81Å; L58-Y66 HydrophobicContact CD1-CE2 3.97Å; L58-Y66 HydrophobicContact CD1-CG 4.16Å; L58-Y66 HydrophobicContact CD2-CG 4.4Å; L58-Y66 HydrophobicContact CG-CG 4.42Å; L58-I68 HydrophobicContact CD1-CD1 3.54Å; L58-F82 HydrophobicContact CD1-CD1 4.26Å; L58-F82 HydrophobicContact CD1-CE1 4.02Å
59D96.6Very high96Very high62 Ų6243.2 Ų43.233%0.33221%0.212SC..Hα-helixtrans-71.1-31177.3-73.3-17.4000112.5V55 F57 K63 Y66V55-D59 WeakPolarHBondContact CG1-OD2 3.43Å; V55-D59 WeakPolarHBondContact O-CB 3.41Å; V55-D59 PolarHBondContact O-N 3.34Å; F57-D59 PolarHBondContact O-N 2.91Å; D59-K63 VanDerWaalsContact O-CB 3.25Å; D59-K63 WeakPolarHBondContact O-CB 3.32Å; D59-Y66 WeakPolarHBondContact OD1-CE1 3.37Å; D59-Y66 PolarHBondContact OD1-OH 3.25Å
60S96.8Very high96.6Very high73 Ų7343.2 Ų43.251%0.5121%0.212SC..Hα-helixtrans-76.6-32.217769.50000113.3R56 F57R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.46Å; R56-S60 PolarHBondContact O-OG 3.01Å; F57-S60 PolarHBondContact O-N 2.76Å; F57-S60 PolarHBondContact O-OG 3.46Å
61K96.8Very high96.9Very high84 Ų8441 Ų4137%0.36520%0.2SC..Hα-helixtrans-99.5-36.7-175.4-64.5-65.7-172.91730113.7D20 F57D20-K61 IonicContact OD2-NZ 3Å; D20-K61 PolarHBondContact OD2-NZ 3.26Å; F57-K61 HydrophobicContact CD2-CG 4.24Å; F57-K61 HydrophobicContact CE2-CG 4.01Å; F57-K61 HydrophobicContact CZ-CG 4.37Å; F57-K61 WeakPolarHBondContact O-CB 3.26Å; F57-K61 WeakPolarHBondContact O-CG 2.96Å; F57-K61 PolarHBondContact O-N 3Å
62H97.4Very high97Very high32 Ų3240.9 Ų40.915%0.14820%0.2CC..SBendtrans-134.538.1-168.4-57-55.2000111.8Y28 L58 N64 H65 Y66 V120Y28-H62 AromaticContact CE1-NE2 3.66Å; Y28-H62 AromaticContact CZ-NE2 3.62Å; Y28-H62 PolarHBondContact OH-NE2 3.08Å; L58-H62 CarbonylContact O-C 3.54Å; L58-H62 VanDerWaalsContact O-CA 3.26Å; L58-H62 WeakPolarHBondContact O-CA 3.47Å; L58-H62 WeakPolarHBondContact O-CB 3.43Å; L58-H62 PolarHBondContact O-N 2.58Å; H62-N64 PolarHBondContact O-N 3.21Å; H62-N64 VanDerWaalsContact O-N 3.1Å; H62-H65 PolarHBondContact O-N 2.83Å; H62-Y66 HydrophobicContact CB-CD1 4.35Å; H62-Y66 WeakPolarHBondContact O-CD1 3.37Å; H62-V120 HydrophobicContact CB-CG2 4.48Å; H62-V120 WeakPolarHBondContact ND1-CG2 3.45Å
63K97.1Very high97Very high144 Ų14438.5 Ų38.563%0.62619%0.192SC*.THydrogen-bonded Turntrans-47.8120.7-174.3-167.1175.9-179.61770111.4L58 D59 H65L58-K63 PolarHBondContact O-N 3.48Å; D59-K63 VanDerWaalsContact O-CB 3.25Å; D59-K63 WeakPolarHBondContact O-CB 3.32Å; K63-H65 PolarHBondContact O-CD2 3.47Å; K63-H65 PolarHBondContact O-N 3.13Å; K63-H65 VanDerWaalsContact O-N 3.13Å
64N96.3Very high97Very high91 Ų9140.1 Ų40.149%0.48720%0.198SC..THydrogen-bonded Turntrans64.70.9-178-59.2-36.8000117.4H62 R85H62-N64 PolarHBondContact O-N 3.21Å; H62-N64 VanDerWaalsContact O-N 3.1Å; N64-R85 PolarHBondContact O-NH1 2.71Å
65H97.9Very high96.6Very high60 Ų6042.5 Ų42.528%0.27821%0.207SC..  trans-114.719.2-177.1-63.3-77.6000112.8H62 K63 D116 H118 H119 V120H62-H65 PolarHBondContact O-N 2.83Å; K63-H65 PolarHBondContact O-CD2 3.47Å; K63-H65 PolarHBondContact O-N 3.13Å; K63-H65 VanDerWaalsContact O-N 3.13Å; H65-D116 IonicContact CE1-OD2 2.73Å; H65-D116 PolarHBondContact CE1-OD2 3.3Å; H65-D116 VanDerWaalsContact CE1-OD2 3.24Å; H65-D116 IonicContact ND1-OD2 2.71Å; H65-D116 PolarHBondContact ND1-OD2 3.1Å; H65-H118 HydrophobicContact CB-CB 4.35Å; H65-H118 WeakPolarHBondContact CB-O 3.5Å; H65-H119 AromaticContact ND1-CD2 3.64Å; H65-H119 AromaticContact ND1-NE2 3.99Å; H65-H119 CarbonylContact O-C 3.58Å; H65-H119 VanDerWaalsContact O-CA 3.32Å; H65-H119 WeakPolarHBondContact O-CA 3.4Å; H65-V120 PolarHBondContact O-N 2.64Å
66Y98.6Very high96.4Very high1 Ų146.8 Ų46.80%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-116.2147.717569.3-93.5000114.1L58 D59 H62 I68 F82 R85 W112 V120L58-Y66 HydrophobicContact CB-CD1 3.67Å; L58-Y66 HydrophobicContact CB-CD2 4.3Å; L58-Y66 HydrophobicContact CB-CE1 3.67Å; L58-Y66 HydrophobicContact CB-CE2 4.31Å; L58-Y66 HydrophobicContact CB-CG 3.99Å; L58-Y66 HydrophobicContact CD1-CD2 3.81Å; L58-Y66 HydrophobicContact CD1-CE2 3.97Å; L58-Y66 HydrophobicContact CD1-CG 4.16Å; L58-Y66 HydrophobicContact CD2-CG 4.4Å; L58-Y66 HydrophobicContact CG-CG 4.42Å; D59-Y66 WeakPolarHBondContact OD1-CE1 3.37Å; D59-Y66 PolarHBondContact OD1-OH 3.25Å; H62-Y66 HydrophobicContact CB-CD1 4.35Å; H62-Y66 WeakPolarHBondContact O-CD1 3.37Å; Y66-I68 HydrophobicContact CD2-CD1 3.87Å; Y66-I68 HydrophobicContact CD2-CG1 4.34Å; Y66-I68 HydrophobicContact CE2-CD1 4.25Å; Y66-I68 HydrophobicContact CE2-CG1 4.48Å; Y66-F82 HydrophobicContact CE2-CB 4.17Å; Y66-F82 AromaticContact CE2-CD1 3.89Å; Y66-F82 HydrophobicContact CE2-CD1 3.89Å; Y66-R85 VanDerWaalsContact O-CD 3.29Å; Y66-R85 WeakPolarHBondContact O-CD 3.5Å; Y66-R85 PolarHBondContact O-NE 2.9Å; Y66-W112 VanDerWaalsContact C-CZ2 3.46Å; Y66-V120 VanDerWaalsContact CA-O 3.26Å; Y66-V120 WeakPolarHBondContact CA-O 3.44Å
67K98.8Very high96.2Very high37 Ų3741.8 Ų41.816%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-128.4139.1167.9-176.8172.4172.8-174.80110.4Y69 D108 W112 V120 A121 A122K67-Y69 HydrophobicContact CB-CE2 4.25Å; K67-Y69 HydrophobicContact CD-CE2 4.17Å; K67-Y69 WeakPolarHBondContact CD-OH 3.48Å; K67-Y69 WeakPolarHBondContact CE-OH 3.42Å; K67-Y69 HydrophobicContact CG-CE2 3.94Å; K67-D108 IonicContact NZ-OD1 3.92Å; K67-D108 PolarHBondContact NZ-OD1 2.88Å; K67-D108 IonicContact NZ-OD2 2.82Å; K67-W112 HydrophobicContact CB-CD2 3.73Å; K67-W112 VanDerWaalsContact CB-CE2 3.41Å; K67-W112 HydrophobicContact CB-CE3 4.4Å; K67-W112 HydrophobicContact CB-CG 4.02Å; K67-W112 HydrophobicContact CB-CH2 4.48Å; K67-W112 HydrophobicContact CB-CZ2 3.83Å; K67-W112 HydrophobicContact CD-CB 4.19Å; K67-W112 HydrophobicContact CD-CD2 3.88Å; K67-W112 HydrophobicContact CD-CE3 4.14Å; K67-W112 HydrophobicContact CD-CG 3.89Å; K67-W112 HydrophobicContact CG-CD2 4.48Å; K67-V120 PolarHBondContact N-O 3.06Å; K67-A121 WeakPolarHBondContact O-CA 3.21Å; K67-A122 PolarHBondContact O-N 2.89Å
68I98.7Very high96Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-98.6138.9-179.6-48.1-58.5000110.2M36 L58 Y66 Y77 F82 R85 V86 A87 A122M36-I68 HydrophobicContact CE-CD1 4.27Å; M36-I68 HydrophobicContact CE-CG2 4.14Å; L58-I68 HydrophobicContact CD1-CD1 3.54Å; Y66-I68 HydrophobicContact CD2-CD1 3.87Å; Y66-I68 HydrophobicContact CD2-CG1 4.34Å; Y66-I68 HydrophobicContact CE2-CD1 4.25Å; Y66-I68 HydrophobicContact CE2-CG1 4.48Å; I68-Y77 VanDerWaalsContact CG2-OH 3.25Å; I68-Y77 WeakPolarHBondContact CG2-OH 3.33Å; I68-F82 HydrophobicContact CD1-CD1 4.08Å; I68-F82 HydrophobicContact CD1-CE1 4.3Å; I68-F82 HydrophobicContact CD1-CG 4.46Å; I68-F82 HydrophobicContact CG1-CB 4.04Å; I68-F82 HydrophobicContact CG1-CD1 3.95Å; I68-F82 HydrophobicContact CG1-CD2 4.26Å; I68-F82 HydrophobicContact CG1-CE1 4.46Å; I68-F82 HydrophobicContact CG1-CG 3.82Å; I68-R85 PolarHBondContact N-O 2.99Å; I68-V86 HydrophobicContact CB-CB 4.43Å; I68-V86 HydrophobicContact CB-CG1 4.23Å; I68-V86 HydrophobicContact CB-CG2 4.08Å; I68-V86 HydrophobicContact CG1-CG2 4.29Å; I68-V86 HydrophobicContact CG2-CG1 4.39Å; I68-V86 CarbonylContact O-C 3.51Å; I68-V86 WeakPolarHBondContact O-CA 3.48Å; I68-A87 PolarHBondContact O-N 3.16Å; I68-A122 CarbonylContact C-O 3.58Å; I68-A122 WeakPolarHBondContact CA-O 3.45Å; I68-A122 HydrophobicContact CD1-CB 3.8Å
69Y98.8Very high95.9Very high0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-119.1110.1172-64.6-97.5000109.6K67 A87 Y89 F105 D108 L109 A121 A122 I123 H124K67-Y69 HydrophobicContact CB-CE2 4.25Å; K67-Y69 HydrophobicContact CD-CE2 4.17Å; K67-Y69 WeakPolarHBondContact CD-OH 3.48Å; K67-Y69 WeakPolarHBondContact CE-OH 3.42Å; K67-Y69 HydrophobicContact CG-CE2 3.94Å; Y69-A87 WeakPolarHBondContact CA-O 3.22Å; Y69-A87 HydrophobicContact CD1-CB 3.91Å; Y69-A87 HydrophobicContact CE1-CB 3.98Å; Y69-Y89 HydrophobicContact CD1-CD2 4.11Å; Y69-Y89 AromaticContact CD1-CE2 3.97Å; Y69-Y89 HydrophobicContact CD1-CE2 3.97Å; Y69-Y89 HydrophobicContact CE1-CE2 4.18Å; Y69-F105 HydrophobicContact CD1-CD2 4.08Å; Y69-F105 AromaticContact CD1-CE2 3.68Å; Y69-F105 HydrophobicContact CD1-CE2 3.68Å; Y69-F105 HydrophobicContact CE1-CE2 4.44Å; Y69-F105 AromaticContact CG-CE2 3.99Å; Y69-F105 HydrophobicContact CG-CE2 3.99Å; Y69-D108 PolarHBondContact OH-O 2.85Å; Y69-L109 HydrophobicContact CD2-CD1 4.42Å; Y69-L109 HydrophobicContact CE2-CD1 3.73Å; Y69-L109 WeakPolarHBondContact OH-CA 3.43Å; Y69-A121 HydrophobicContact CD2-CB 4.14Å; Y69-A121 HydrophobicContact CE2-CB 3.78Å; Y69-A122 PolarHBondContact N-O 3.06Å; Y69-I123 HydrophobicContact CD2-CG1 4.01Å; Y69-I123 HydrophobicContact CG-CG1 4.22Å; Y69-H124 PolarHBondContact O-CD2 2.88Å; Y69-H124 PolarHBondContact O-N 3.36Å
70N98.5Very high95.8Very high2 Ų248 Ų481%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-93.6118.1178.1-17710.9000110.6C72 R75 V86 A87 Y89 H124N70-C72 VanDerWaalsContact OD1-CB 3.26Å; N70-C72 WeakPolarHBondContact OD1-CB 3.25Å; N70-C72 PolarHBondContact OD1-N 3.06Å; N70-R75 PolarHBondContact ND2-O 3.44Å; N70-R75 VanDerWaalsContact ND2-O 3.14Å; N70-V86 HydrophobicContact CB-CG1 4.49Å; N70-A87 PolarHBondContact N-O 3.06Å; N70-Y89 PolarHBondContact O-N 3.35Å; N70-H124 WeakPolarHBondContact CB-NE2 3.44Å; N70-H124 VanDerWaalsContact CG-CE1 3.45Å; N70-H124 PolarHBondContact OD1-CE1 3.12Å
71L98.6Very high95.6Very high0 Ų047.9 Ų47.90%024%0.237CC..EExtended strand (participates in β ladder)trans-98.30.4178.9-51.3179.3000113.4F91 F105 I123 H124 C125 R131 M135L71-F91 HydrophobicContact CB-CD1 4.47Å; L71-F91 HydrophobicContact CB-CE1 4.04Å; L71-F91 HydrophobicContact CD1-CE1 4.23Å; L71-F91 HydrophobicContact CD2-CE1 4.37Å; L71-F91 HydrophobicContact CG-CE1 4.44Å; L71-F91 PolarHBondContact O-N 3.29Å; L71-F91 VanDerWaalsContact O-N 3.16Å; L71-F105 HydrophobicContact CD2-CE2 4.25Å; L71-I123 HydrophobicContact CD1-CG2 3.8Å; L71-I123 HydrophobicContact CG-CG2 4.17Å; L71-H124 WeakPolarHBondContact CB-O 3.29Å; L71-H124 WeakPolarHBondContact CG-O 3.26Å; L71-H124 PolarHBondContact N-O 3.39Å; L71-C125 HydrophobicContact CB-CB 4.19Å; L71-R131 HydrophobicContact CD1-CB 4.39Å; L71-R131 PolarHBondContact O-NH1 3.38Å; L71-M135 HydrophobicContact CD1-CB 4.17Å; L71-M135 HydrophobicContact CD1-CG 3.68Å; L71-M135 HydrophobicContact CD2-CG 3.96Å; L71-M135 HydrophobicContact CG-CG 4.47Å
72C96.3Very high95.5Very high1 Ų143.9 Ų43.91%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-75.5124.4179.9-63.90000111.3N70 E74 R75 P90 C125 K126N70-C72 VanDerWaalsContact OD1-CB 3.26Å; N70-C72 WeakPolarHBondContact OD1-CB 3.25Å; N70-C72 PolarHBondContact OD1-N 3.06Å; C72-E74 VanDerWaalsContact C-N 3.33Å; C72-E74 WeakPolarHBondContact CA-OE2 3.44Å; C72-R75 HydrophobicContact CB-CB 4.03Å; C72-R75 WeakPolarHBondContact CB-O 3.37Å; C72-P90 WeakPolarHBondContact O-CB 3.46Å; C72-C125 VanDerWaalsContact SG-CA 3.58Å; C72-K126 PolarHBondContact SG-N 3.29Å; C72-K126 VanDerWaalsContact SG-N 3.45Å
73A93.6Very high95.3Very high34 Ų3445.6 Ų45.628%0.28124%0.235SC..SBendtrans-79.5-2416600000111.8P90A73-P90 HydrophobicContact CB-CB 4.01Å
74E91.8Very high94.9Very high75 Ų7543 Ų4335%0.3524%0.235SC..SBendtrans-99.7-12.6-168.872.4-80.1-166.600114.3C72 R131C72-E74 VanDerWaalsContact C-N 3.33Å; C72-E74 WeakPolarHBondContact CA-OE2 3.44Å; E74-R131 IonicContact OE1-CZ 3.46Å; E74-R131 IonicContact OE1-NH1 3.2Å; E74-R131 PolarHBondContact OE1-NH1 2.88Å; E74-R131 IonicContact OE1-NH2 2.66Å; E74-R131 PolarHBondContact OE1-NH2 2.94Å; E74-R131 IonicContact OE2-CZ 3.69Å; E74-R131 IonicContact OE2-NH1 3.86Å; E74-R131 PolarHBondContact OE2-NH1 3.46Å; E74-R131 IonicContact OE2-NH2 3.5Å
75R88.3Confident94.8Very high50 Ų5041.4 Ų41.419%0.18922%0.222CC..  trans-144.8133-167.1-79.9162179.4-113.6-8.4112.4F38 E44 N70 C72F38-R75 HydrophobicContact CD2-CB 4.35Å; F38-R75 HydrophobicContact CE1-CB 4.47Å; F38-R75 HydrophobicContact CE2-CB 3.57Å; F38-R75 HydrophobicContact CZ-CB 3.64Å; F38-R75 HydrophobicContact CZ-CG 4.34Å; E44-R75 IonicContact OE1-CZ 2.87Å; E44-R75 IonicContact OE1-NH1 3.19Å; E44-R75 PolarHBondContact OE1-NH1 3.13Å; E44-R75 IonicContact OE1-NH2 2.71Å; E44-R75 PolarHBondContact OE1-NH2 3.29Å; E44-R75 IonicContact OE2-CZ 2.72Å; E44-R75 IonicContact OE2-NH1 3.39Å; E44-R75 PolarHBondContact OE2-NH1 3.22Å; E44-R75 IonicContact OE2-NH2 2.8Å; N70-R75 PolarHBondContact ND2-O 3.44Å; N70-R75 VanDerWaalsContact ND2-O 3.14Å; C72-R75 HydrophobicContact CB-CB 4.03Å; C72-R75 WeakPolarHBondContact CB-O 3.37Å
76H92.1Very high94.8Very high111 Ų11139.9 Ų39.951%0.51422%0.217SC..  trans-132.2167.7175.2-54-78.4000110.1Q88H76-Q88 PolarHBondContact ND1-NE2 2.58Å
77Y92.9Very high94.8Very high20 Ų2040.5 Ų40.58%0.07822%0.222CC..  trans-146.8167.5176.745.1-101000108.7F38 P39 I51 I68 T79 F82 V86 H124F38-Y77 HydrophobicContact CE1-CD1 4.48Å; F38-Y77 AromaticContact CE2-CD1 3.74Å; F38-Y77 HydrophobicContact CE2-CD1 3.74Å; F38-Y77 AromaticContact CE2-CE1 3.9Å; F38-Y77 HydrophobicContact CE2-CE1 3.9Å; F38-Y77 AromaticContact CZ-CD1 3.65Å; F38-Y77 HydrophobicContact CZ-CD1 3.65Å; F38-Y77 HydrophobicContact CZ-CE1 4.28Å; P39-Y77 HydrophobicContact CG-CD1 3.89Å; P39-Y77 HydrophobicContact CG-CE1 3.47Å; P39-Y77 VanDerWaalsContact CG-CE1 3.47Å; I51-Y77 HydrophobicContact CD1-CD2 4.01Å; I51-Y77 HydrophobicContact CD1-CG 4.02Å; I68-Y77 VanDerWaalsContact CG2-OH 3.25Å; I68-Y77 WeakPolarHBondContact CG2-OH 3.33Å; Y77-T79 PolarHBondContact O-N 2.86Å; Y77-T79 VanDerWaalsContact O-N 3.08Å; Y77-F82 HydrophobicContact CD2-CD2 4.17Å; Y77-F82 AromaticContact CD2-CE2 3.94Å; Y77-F82 HydrophobicContact CD2-CE2 3.94Å; Y77-F82 AromaticContact CE2-CD2 3.67Å; Y77-F82 HydrophobicContact CE2-CD2 3.67Å; Y77-F82 AromaticContact CE2-CE2 3.55Å; Y77-F82 HydrophobicContact CE2-CE2 3.55Å; Y77-V86 HydrophobicContact CE2-CG1 4.41Å; Y77-V86 HydrophobicContact CE2-CG2 4.41Å; Y77-H124 AromaticContact CE1-CE1 3.58Å; Y77-H124 AromaticContact CE1-NE2 3.45Å; Y77-H124 WeakPolarHBondContact CE1-NE2 3.27Å; Y77-H124 AromaticContact CZ-NE2 3.5Å; Y77-H124 PolarHBondContact OH-NE2 3Å
78D93Very high94.8Very high79 Ų7943.5 Ų43.542%0.42224%0.237SC..  trans-64.5110.2176-178.92.5000111E41 S80 K81E41-D78 PolarHBondContact OE1-N 3.06Å; D78-S80 PolarHBondContact O-N 2.8Å; D78-S80 WeakPolarHBondContact OD1-CB 3.2Å; D78-S80 PolarHBondContact OD1-N 2.75Å; D78-S80 PolarHBondContact OD1-OG 3.25Å; D78-S80 PolarHBondContact OD2-OG 3.32Å; D78-K81 WeakPolarHBondContact O-CB 3.42Å; D78-K81 PolarHBondContact O-N 2.74Å
79T94.9Very high94.8Very high50 Ų5045.2 Ų45.231%0.30724%0.243SC..G310 helixtrans-69.8-17.3-178.557.90000113Y77 K81 F82 C84 V86Y77-T79 PolarHBondContact O-N 2.86Å; Y77-T79 VanDerWaalsContact O-N 3.08Å; T79-K81 PolarHBondContact O-N 3.45Å; T79-F82 PolarHBondContact O-N 2.91Å; T79-C84 WeakPolarHBondContact O-CA 3.34Å; T79-C84 PolarHBondContact O-N 3.38Å; T79-C84 VanDerWaalsContact O-N 3.11Å; T79-V86 HydrophobicContact CG2-CB 3.81Å; T79-V86 HydrophobicContact CG2-CG1 4.09Å; T79-V86 HydrophobicContact CG2-CG2 3.86Å
80S94.6Very high94.8Very high65 Ų6548.1 Ų48.146%0.45526%0.263SS..G310 helixtrans-62.9-28.4177.577.80000112D78 F82 S83D78-S80 PolarHBondContact O-N 2.8Å; D78-S80 WeakPolarHBondContact OD1-CB 3.2Å; D78-S80 PolarHBondContact OD1-N 2.75Å; D78-S80 PolarHBondContact OD1-OG 3.25Å; D78-S80 PolarHBondContact OD2-OG 3.32Å; S80-F82 PolarHBondContact O-N 2.84Å; S80-F82 VanDerWaalsContact O-N 3.17Å; S80-S83 PolarHBondContact O-N 3.32Å; S80-S83 VanDerWaalsContact O-N 3.07Å
81K93.1Very high94.7Very high70 Ų7048.6 Ų48.630%0.30427%0.265SS..G310 helixtrans-59-25173-73.5179.6169.1-79.50113.5I51 D52 V55 D78 T79I51-K81 HydrophobicContact CD1-CB 4.45Å; I51-K81 HydrophobicContact CD1-CD 3.59Å; I51-K81 HydrophobicContact CG1-CD 3.92Å; I51-K81 HydrophobicContact CG2-CD 4.04Å; D52-K81 IonicContact OD1-NZ 2.61Å; D52-K81 PolarHBondContact OD1-NZ 3.3Å; V55-K81 HydrophobicContact CG2-CB 4.2Å; V55-K81 WeakPolarHBondContact CG2-O 3.34Å; D78-K81 WeakPolarHBondContact O-CB 3.42Å; D78-K81 PolarHBondContact O-N 2.74Å; T79-K81 PolarHBondContact O-N 3.45Å
82F95.3Very high94.6Very high0 Ų052.4 Ų52.40%028%0.282CS..G310 helixtrans-108.330.4178.2-65.2-68.5000112.2P39 I51 V54 V55 L58 Y66 I68 Y77 T79 S80 C84 R85 V86P39-F82 HydrophobicContact CB-CE2 4.48Å; P39-F82 HydrophobicContact CB-CZ 4.12Å; P39-F82 HydrophobicContact CG-CE2 4.28Å; P39-F82 HydrophobicContact CG-CZ 4.27Å; I51-F82 HydrophobicContact CD1-CE2 3.7Å; I51-F82 HydrophobicContact CD1-CZ 4.16Å; I51-F82 HydrophobicContact CG1-CE2 3.87Å; I51-F82 HydrophobicContact CG1-CZ 3.79Å; V54-F82 HydrophobicContact CG1-CE1 4.02Å; V54-F82 HydrophobicContact CG1-CZ 4.15Å; V55-F82 HydrophobicContact CB-CE1 4.49Å; V55-F82 HydrophobicContact CG2-CD1 3.82Å; V55-F82 HydrophobicContact CG2-CE1 3.47Å; V55-F82 VanDerWaalsContact CG2-CE1 3.47Å; V55-F82 HydrophobicContact CG2-CZ 3.96Å; L58-F82 HydrophobicContact CD1-CD1 4.26Å; L58-F82 HydrophobicContact CD1-CE1 4.02Å; Y66-F82 HydrophobicContact CE2-CB 4.17Å; Y66-F82 AromaticContact CE2-CD1 3.89Å; Y66-F82 HydrophobicContact CE2-CD1 3.89Å; I68-F82 HydrophobicContact CD1-CD1 4.08Å; I68-F82 HydrophobicContact CD1-CE1 4.3Å; I68-F82 HydrophobicContact CD1-CG 4.46Å; I68-F82 HydrophobicContact CG1-CB 4.04Å; I68-F82 HydrophobicContact CG1-CD1 3.95Å; I68-F82 HydrophobicContact CG1-CD2 4.26Å; I68-F82 HydrophobicContact CG1-CE1 4.46Å; I68-F82 HydrophobicContact CG1-CG 3.82Å; Y77-F82 HydrophobicContact CD2-CD2 4.17Å; Y77-F82 AromaticContact CD2-CE2 3.94Å; Y77-F82 HydrophobicContact CD2-CE2 3.94Å; Y77-F82 AromaticContact CE2-CD2 3.67Å; Y77-F82 HydrophobicContact CE2-CD2 3.67Å; Y77-F82 AromaticContact CE2-CE2 3.55Å; Y77-F82 HydrophobicContact CE2-CE2 3.55Å; T79-F82 PolarHBondContact O-N 2.91Å; S80-F82 PolarHBondContact O-N 2.84Å; S80-F82 VanDerWaalsContact O-N 3.17Å; F82-C84 PolarHBondContact O-N 2.97Å; F82-C84 VanDerWaalsContact O-N 3.13Å; F82-R85 PolarHBondContact O-N 2.91Å; F82-V86 HydrophobicContact CB-CG2 3.88Å; F82-V86 HydrophobicContact CD2-CG2 4.24Å; F82-V86 HydrophobicContact CG-CG2 4.45Å
83S91.9Very high94.4Very high67 Ų6754.6 Ų54.647%0.46929%0.294SS..THydrogen-bonded Turntrans54.431.8-177.6-53.40000113.1S80 R85S80-S83 PolarHBondContact O-N 3.32Å; S80-S83 VanDerWaalsContact O-N 3.07Å; S83-R85 PolarHBondContact O-N 3.08Å; S83-R85 VanDerWaalsContact O-N 3.08Å
84C89.3Confident94.4Very high91 Ų9156.2 Ų56.262%0.61530%0.295SS*.THydrogen-bonded Turntrans58.614-176-58.80000115.7T79 F82 V86T79-C84 WeakPolarHBondContact O-CA 3.34Å; T79-C84 PolarHBondContact O-N 3.38Å; T79-C84 VanDerWaalsContact O-N 3.11Å; F82-C84 PolarHBondContact O-N 2.97Å; F82-C84 VanDerWaalsContact O-N 3.13Å; C84-V86 VanDerWaalsContact C-N 3.26Å; C84-V86 PolarHBondContact O-N 3.49Å; C84-V86 VanDerWaalsContact O-N 3.09Å
85R94.5Very high94.7Very high56 Ų5653.7 Ų53.721%0.21128%0.284CS..  trans-86.659.8175.2-68.5-174.1-68.2-120.1-13.9111.5N64 Y66 I68 F82 S83N64-R85 PolarHBondContact O-NH1 2.71Å; Y66-R85 VanDerWaalsContact O-CD 3.29Å; Y66-R85 WeakPolarHBondContact O-CD 3.5Å; Y66-R85 PolarHBondContact O-NE 2.9Å; I68-R85 PolarHBondContact N-O 2.99Å; F82-R85 PolarHBondContact O-N 2.91Å; S83-R85 PolarHBondContact O-N 3.08Å; S83-R85 VanDerWaalsContact O-N 3.08Å
86V97.9Very high95.2Very high28 Ų2851.7 Ų51.717%0.1728%0.278CS..EExtended strand (participates in β ladder)trans-125119.9-180-172.50000110I68 N70 Y77 T79 F82 C84I68-V86 HydrophobicContact CB-CB 4.43Å; I68-V86 HydrophobicContact CB-CG1 4.23Å; I68-V86 HydrophobicContact CB-CG2 4.08Å; I68-V86 HydrophobicContact CG1-CG2 4.29Å; I68-V86 HydrophobicContact CG2-CG1 4.39Å; I68-V86 CarbonylContact O-C 3.51Å; I68-V86 WeakPolarHBondContact O-CA 3.48Å; N70-V86 HydrophobicContact CB-CG1 4.49Å; Y77-V86 HydrophobicContact CE2-CG1 4.41Å; Y77-V86 HydrophobicContact CE2-CG2 4.41Å; T79-V86 HydrophobicContact CG2-CB 3.81Å; T79-V86 HydrophobicContact CG2-CG1 4.09Å; T79-V86 HydrophobicContact CG2-CG2 3.86Å; F82-V86 HydrophobicContact CB-CG2 3.88Å; F82-V86 HydrophobicContact CD2-CG2 4.24Å; F82-V86 HydrophobicContact CG-CG2 4.45Å; C84-V86 VanDerWaalsContact C-N 3.26Å; C84-V86 PolarHBondContact O-N 3.49Å; C84-V86 VanDerWaalsContact O-N 3.09Å
87A98.4Very high95.5Very high15 Ų1546.5 Ų46.512%0.12425%0.254CS..EExtended strand (participates in β ladder)trans-101.4148.1169.500000110.4I68 Y69 N70 Y89I68-A87 PolarHBondContact O-N 3.16Å; Y69-A87 WeakPolarHBondContact CA-O 3.22Å; Y69-A87 HydrophobicContact CD1-CB 3.91Å; Y69-A87 HydrophobicContact CE1-CB 3.98Å; N70-A87 PolarHBondContact N-O 3.06Å; A87-Y89 HydrophobicContact CB-CD2 4.42Å; A87-Y89 HydrophobicContact CB-CE2 3.9Å
88Q98.4Very high95.7Very high100 Ų10050.4 Ų50.447%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-120124-176.4-64.4-174.6-17.900110.6H76H76-Q88 PolarHBondContact ND1-NE2 2.58Å
89Y98.7Very high96Very high35 Ų3546.9 Ų46.914%0.13725%0.254CS..EExtended strand (participates in β ladder)trans-13266.9174.8-68-93.4000109Y69 N70 A87 L101 P104 F105 D108Y69-Y89 HydrophobicContact CD1-CD2 4.11Å; Y69-Y89 AromaticContact CD1-CE2 3.97Å; Y69-Y89 HydrophobicContact CD1-CE2 3.97Å; Y69-Y89 HydrophobicContact CE1-CE2 4.18Å; N70-Y89 PolarHBondContact O-N 3.35Å; A87-Y89 HydrophobicContact CB-CD2 4.42Å; A87-Y89 HydrophobicContact CB-CE2 3.9Å; Y89-L101 HydrophobicContact CD1-CD1 3.8Å; Y89-L101 HydrophobicContact CD1-CG 4.23Å; Y89-P104 HydrophobicContact CE1-CB 4.41Å; Y89-F105 HydrophobicContact CD1-CB 3.75Å; Y89-F105 HydrophobicContact CD1-CD2 4.3Å; Y89-F105 AromaticContact CD2-CD2 3.69Å; Y89-F105 HydrophobicContact CD2-CD2 3.69Å; Y89-F105 HydrophobicContact CD2-CE2 4.49Å; Y89-F105 HydrophobicContact CE1-CB 3.88Å; Y89-F105 HydrophobicContact CE2-CD2 4.1Å; Y89-F105 HydrophobicContact CG-CB 4.14Å; Y89-F105 AromaticContact CG-CD2 3.8Å; Y89-F105 HydrophobicContact CG-CD2 3.8Å; Y89-F105 HydrophobicContact CG-CG 4.47Å; Y89-D108 WeakPolarHBondContact CE2-OD2 3.35Å; Y89-D108 WeakPolarHBondContact OH-CB 3.39Å; Y89-D108 VanDerWaalsContact OH-CG 3.29Å; Y89-D108 PolarHBondContact OH-OD2 3.28Å
90P98.1Very high96.1Very high62 Ų6250.1 Ų50.140%0.40327%0.266SS..EExtended strand (participates in β ladder)trans-73.8138-16729.2-34.8000112.7C72 A73C72-P90 WeakPolarHBondContact O-CB 3.46Å; A73-P90 HydrophobicContact CB-CB 4.01Å
91F98Very high96.3Very high12 Ų1248.9 Ų48.95%0.05325%0.254CS..EExtended strand (participates in β ladder)trans-149.5155.9164.162-78.4000112.1L71 N95 P97 L101 R131 M135L71-F91 HydrophobicContact CB-CD1 4.47Å; L71-F91 HydrophobicContact CB-CE1 4.04Å; L71-F91 HydrophobicContact CD1-CE1 4.23Å; L71-F91 HydrophobicContact CD2-CE1 4.37Å; L71-F91 HydrophobicContact CG-CE1 4.44Å; L71-F91 PolarHBondContact O-N 3.29Å; L71-F91 VanDerWaalsContact O-N 3.16Å; F91-N95 WeakPolarHBondContact CE2-O 3.47Å; F91-P97 HydrophobicContact CB-CB 4.36Å; F91-P97 HydrophobicContact CD1-CB 3.91Å; F91-P97 HydrophobicContact CD2-CB 4.03Å; F91-P97 HydrophobicContact CE1-CB 4.08Å; F91-P97 HydrophobicContact CE2-CB 4.15Å; F91-P97 HydrophobicContact CE2-CG 4.4Å; F91-P97 HydrophobicContact CG-CB 3.88Å; F91-P97 HydrophobicContact CZ-CB 4.17Å; F91-P97 HydrophobicContact CZ-CG 4.38Å; F91-L101 HydrophobicContact CD1-CD2 4.18Å; F91-R131 HydrophobicContact CD2-CG 3.99Å; F91-R131 HydrophobicContact CE1-CB 4.1Å; F91-R131 HydrophobicContact CE1-CG 4.48Å; F91-R131 HydrophobicContact CE2-CB 3.68Å; F91-R131 HydrophobicContact CE2-CG 3.38Å; F91-R131 HydrophobicContact CZ-CB 3.38Å; F91-R131 HydrophobicContact CZ-CG 3.67Å; F91-R131 WeakPolarHBondContact O-CD 3.32Å; F91-R131 PolarHBondContact O-NH1 2.86Å; F91-M135 HydrophobicContact CE1-CG 3.91Å; F91-M135 HydrophobicContact CE1-SD 3.98Å; F91-M135 HydrophobicContact CZ-CG 4.18Å; F91-M135 HydrophobicContact CZ-SD 4.27Å
92E96.3Very high96.6Very high80 Ų8045.5 Ų45.537%0.37424%0.239SC..  trans-60.4143.6-169.4-60.2-59.4156.300112.5N95 K222E92-N95 HydrophobicContact CB-CB 4.2Å; E92-N95 PolarHBondContact O-N 2.78Å; E92-K222 VanDerWaalsContact OE1-CE 3.27Å; E92-K222 WeakPolarHBondContact OE1-CE 3.37Å; E92-K222 IonicContact OE1-NZ 3.03Å; E92-K222 PolarHBondContact OE1-NZ 3.08Å
93D91.8Very high96.8Very high47 Ų4749.8 Ų49.825%0.25126%0.258SS..THydrogen-bonded Turntrans-61142-179.7-156.830.1000111.2N95 R131D93-N95 PolarHBondContact O-N 3.28Å; D93-N95 VanDerWaalsContact O-N 3.09Å; D93-N95 PolarHBondContact O-ND2 3.23Å; D93-R131 VanDerWaalsContact CG-NH2 3.27Å; D93-R131 IonicContact OD1-CZ 3.57Å; D93-R131 IonicContact OD1-NE 2.63Å; D93-R131 PolarHBondContact OD1-NE 3.17Å; D93-R131 IonicContact OD1-NH2 3.97Å; D93-R131 PolarHBondContact OD1-NH2 3.04Å; D93-R131 IonicContact OD2-NH2 2.82Å
94H93.4Very high97.1Very high67 Ų6749.4 Ų49.431%0.3125%0.254SS..THydrogen-bonded Turntrans59.511-176.3-52.390.6000116.5I169H94-I169 HydrophobicContact CB-CD1 3.79Å
95N97.7Very high97.6Very high22 Ų2245 Ų4512%0.11822%0.224CC..SBendtrans-109.4161.2173.6-64.2-91.5000110.3F91 E92 D93 Q172 W275F91-N95 WeakPolarHBondContact CE2-O 3.47Å; E92-N95 HydrophobicContact CB-CB 4.2Å; E92-N95 PolarHBondContact O-N 2.78Å; D93-N95 PolarHBondContact O-N 3.28Å; D93-N95 VanDerWaalsContact O-N 3.09Å; D93-N95 PolarHBondContact O-ND2 3.23Å; N95-Q172 PolarHBondContact O-NE2 3.18Å; N95-W275 PolarHBondContact OD1-NE1 2.88Å
96P98.6Very high97.8Very high9 Ų942.4 Ų42.46%0.05821%0.214CC..PPolyproline II helixtrans-69.6161163.230.5-33.2000111.3Y175 W275P96-Y175 HydrophobicContact CB-CD1 3.77Å; P96-Y175 HydrophobicContact CB-CD2 3.41Å; P96-Y175 VanDerWaalsContact CB-CD2 3.41Å; P96-Y175 HydrophobicContact CB-CE1 4.07Å; P96-Y175 HydrophobicContact CB-CE2 3.71Å; P96-Y175 HydrophobicContact CB-CG 3.42Å; P96-Y175 VanDerWaalsContact CB-CG 3.42Å; P96-Y175 HydrophobicContact CG-CD1 4.43Å; P96-Y175 HydrophobicContact CG-CD2 3.71Å; P96-Y175 HydrophobicContact CG-CE1 4.25Å; P96-Y175 HydrophobicContact CG-CE2 3.47Å; P96-Y175 VanDerWaalsContact CG-CE2 3.47Å; P96-Y175 HydrophobicContact CG-CG 4.17Å; P96-W275 VanDerWaalsContact CD-CD1 3.43Å; P96-W275 HydrophobicContact CG-CB 3.69Å; P96-W275 HydrophobicContact CG-CD2 4.11Å; P96-W275 HydrophobicContact CG-CG 3.63Å
97P98.5Very high97.8Very high2 Ų245.2 Ų45.21%0.01323%0.226CC..PPolyproline II helixtrans-68.2165.3167.633-36.2000110.3F91 L101 I102 V134 M135 Y175F91-P97 HydrophobicContact CB-CB 4.36Å; F91-P97 HydrophobicContact CD1-CB 3.91Å; F91-P97 HydrophobicContact CD2-CB 4.03Å; F91-P97 HydrophobicContact CE1-CB 4.08Å; F91-P97 HydrophobicContact CE2-CB 4.15Å; F91-P97 HydrophobicContact CE2-CG 4.4Å; F91-P97 HydrophobicContact CG-CB 3.88Å; F91-P97 HydrophobicContact CZ-CB 4.17Å; F91-P97 HydrophobicContact CZ-CG 4.38Å; P97-L101 HydrophobicContact CB-CB 4.37Å; P97-L101 HydrophobicContact CB-CD2 3.94Å; P97-I102 HydrophobicContact CG-CD1 4.03Å; P97-I102 HydrophobicContact CG-CG1 3.83Å; P97-V134 HydrophobicContact CG-CG1 3.94Å; P97-M135 HydrophobicContact CB-SD 4.21Å; P97-M135 HydrophobicContact CG-SD 3.96Å; P97-Y175 WeakPolarHBondContact O-CD1 3.5Å; P97-Y175 WeakPolarHBondContact O-CE1 3.36Å
98Q98.4Very high97.8Very high102 Ų10246.2 Ų46.248%0.47723%0.229SC..PPolyproline II helixtrans-59.8141.2161-67.517614.700108.7E100 L101 L221 D253Q98-E100 VanDerWaalsContact C-N 3.25Å; Q98-E100 PolarHBondContact O-N 2.98Å; Q98-L101 HydrophobicContact CB-CB 4.36Å; Q98-L101 WeakPolarHBondContact O-CB 3.46Å; Q98-L101 PolarHBondContact O-N 3.23Å; Q98-L221 HydrophobicContact CG-CD2 4.01Å; Q98-D253 VanDerWaalsContact CA-OD2 3.27Å; Q98-D253 WeakPolarHBondContact CA-OD2 3.12Å
99L98.3Very high97.9Very high5 Ų541.5 Ų41.53%0.02621%0.207CC..Hα-helixtrans-59.5-40.8-175.3-175.174.9000111.9L101 I102 Y175 Y178 L182 Y189 D253 F280L99-L101 PolarHBondContact O-N 3.01Å; L99-I102 HydrophobicContact CD1-CD1 4.2Å; L99-I102 WeakPolarHBondContact O-CB 3.32Å; L99-I102 WeakPolarHBondContact O-CG1 3.48Å; L99-I102 PolarHBondContact O-N 3.48Å; L99-Y175 HydrophobicContact CB-CD1 4.5Å; L99-Y175 HydrophobicContact CB-CE1 4.25Å; L99-Y175 HydrophobicContact CD1-CD1 4.32Å; L99-Y178 HydrophobicContact CD1-CD2 4.45Å; L99-L182 HydrophobicContact CD2-CD1 4.39Å; L99-Y189 HydrophobicContact CD2-CD1 4.37Å; L99-Y189 HydrophobicContact CD2-CD2 3.28Å; L99-Y189 HydrophobicContact CD2-CE1 4.44Å; L99-Y189 HydrophobicContact CD2-CE2 3.35Å; L99-Y189 HydrophobicContact CD2-CG 3.79Å; L99-D253 PolarHBondContact N-OD2 2.97Å; L99-F280 HydrophobicContact CD1-CE2 4.29Å; L99-F280 HydrophobicContact CD1-CZ 4.41Å; L99-F280 HydrophobicContact CD2-CE2 3.55Å; L99-F280 HydrophobicContact CD2-CZ 3.95Å
100E98Very high97.9Very high117 Ų11741.3 Ų41.355%0.54721%0.208SC..Hα-helixtrans-65.4-18.8178.4-67.9-174.6-120.800113.7Q98 I102 P104 Y189Q98-E100 VanDerWaalsContact C-N 3.25Å; Q98-E100 PolarHBondContact O-N 2.98Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 2.89Å; E100-P104 WeakPolarHBondContact O-CD 3.4Å; E100-P104 WeakPolarHBondContact O-CG 3.33Å; E100-Y189 HydrophobicContact CG-CD1 3.44Å; E100-Y189 VanDerWaalsContact CG-CD1 3.44Å; E100-Y189 HydrophobicContact CG-CE1 3.48Å; E100-Y189 VanDerWaalsContact CG-CE1 3.48Å; E100-Y189 WeakPolarHBondContact OE1-CE1 3.37Å
101L98.7Very high97.9Very high39 Ų3943.4 Ų43.420%0.20421%0.213CC..Hα-helixtrans-71.3-24.8176.8-168.168.4000112.1Y89 F91 P97 Q98 L99 F105Y89-L101 HydrophobicContact CD1-CD1 3.8Å; Y89-L101 HydrophobicContact CD1-CG 4.23Å; F91-L101 HydrophobicContact CD1-CD2 4.18Å; P97-L101 HydrophobicContact CB-CB 4.37Å; P97-L101 HydrophobicContact CB-CD2 3.94Å; Q98-L101 HydrophobicContact CB-CB 4.36Å; Q98-L101 WeakPolarHBondContact O-CB 3.46Å; Q98-L101 PolarHBondContact O-N 3.23Å; L99-L101 PolarHBondContact O-N 3.01Å; L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 3.28Å
102I98.9Very high97.9Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-70.3-47.2-170-58179.1000111.7P97 L99 E100 F105 C106 A138 Y179P97-I102 HydrophobicContact CG-CD1 4.03Å; P97-I102 HydrophobicContact CG-CG1 3.83Å; L99-I102 HydrophobicContact CD1-CD1 4.2Å; L99-I102 WeakPolarHBondContact O-CB 3.32Å; L99-I102 WeakPolarHBondContact O-CG1 3.48Å; L99-I102 PolarHBondContact O-N 3.48Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 2.89Å; I102-F105 PolarHBondContact O-N 2.94Å; I102-C106 PolarHBondContact O-N 3.29Å; I102-C106 PolarHBondContact O-SG 2.91Å; I102-A138 HydrophobicContact CG2-CB 3.48Å; I102-A138 VanDerWaalsContact CG2-CB 3.48Å; I102-Y179 HydrophobicContact CB-CD2 4.13Å; I102-Y179 HydrophobicContact CB-CE2 4.32Å; I102-Y179 HydrophobicContact CB-CG 4.45Å; I102-Y179 HydrophobicContact CG2-CD1 3.7Å; I102-Y179 HydrophobicContact CG2-CD2 3.64Å; I102-Y179 HydrophobicContact CG2-CE1 3.8Å; I102-Y179 HydrophobicContact CG2-CE2 3.81Å; I102-Y179 HydrophobicContact CG2-CG 3.58Å
103K98.8Very high98Very high90 Ų9040.9 Ų40.939%0.39120%0.2SC..Hα-helixtrans-64.8-50.4-176176.8175.1171.560.80112.6F105 C106 E107 Y179K103-F105 VanDerWaalsContact C-N 3.3Å; K103-F105 PolarHBondContact O-N 3.12Å; K103-C106 WeakPolarHBondContact O-CB 3.19Å; K103-C106 PolarHBondContact O-N 3.03Å; K103-E107 WeakPolarHBondContact CE-OE1 3.33Å; K103-E107 HydrophobicContact CG-CG 4.4Å; K103-E107 IonicContact NZ-OE1 3.36Å; K103-E107 PolarHBondContact NZ-OE1 2.96Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 3.49Å; K103-Y179 HydrophobicContact CB-CE2 4.07Å
104P98.8Very high98.3Very high58 Ų5842 Ų4238%0.37721%0.212SC..Hα-helixtrans-60-38.3177-24.435.3000112.9Y89 E100 C106 E107 D108Y89-P104 HydrophobicContact CE1-CB 4.41Å; E100-P104 WeakPolarHBondContact O-CD 3.4Å; E100-P104 WeakPolarHBondContact O-CG 3.33Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3Å; P104-E107 PolarHBondContact O-N 3.03Å; P104-D108 WeakPolarHBondContact O-CB 3.47Å; P104-D108 PolarHBondContact O-N 3.45Å
105F98.9Very high98.6Very high0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-59.5-45.6172.6169.5-89.3000111.9Y69 L71 Y89 L101 I102 K103 E107 L109 I123 M135Y69-F105 HydrophobicContact CD1-CD2 4.08Å; Y69-F105 AromaticContact CD1-CE2 3.68Å; Y69-F105 HydrophobicContact CD1-CE2 3.68Å; Y69-F105 HydrophobicContact CE1-CE2 4.44Å; Y69-F105 AromaticContact CG-CE2 3.99Å; Y69-F105 HydrophobicContact CG-CE2 3.99Å; L71-F105 HydrophobicContact CD2-CE2 4.25Å; Y89-F105 HydrophobicContact CD1-CB 3.75Å; Y89-F105 HydrophobicContact CD1-CD2 4.3Å; Y89-F105 AromaticContact CD2-CD2 3.69Å; Y89-F105 HydrophobicContact CD2-CD2 3.69Å; Y89-F105 HydrophobicContact CD2-CE2 4.49Å; Y89-F105 HydrophobicContact CE1-CB 3.88Å; Y89-F105 HydrophobicContact CE2-CD2 4.1Å; Y89-F105 HydrophobicContact CG-CB 4.14Å; Y89-F105 AromaticContact CG-CD2 3.8Å; Y89-F105 HydrophobicContact CG-CD2 3.8Å; Y89-F105 HydrophobicContact CG-CG 4.47Å; L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 3.28Å; I102-F105 PolarHBondContact O-N 2.94Å; K103-F105 VanDerWaalsContact C-N 3.3Å; K103-F105 PolarHBondContact O-N 3.12Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-L109 HydrophobicContact CE1-CD2 3.73Å; F105-L109 HydrophobicContact CZ-CD2 3.81Å; F105-L109 VanDerWaalsContact O-CB 3.23Å; F105-L109 WeakPolarHBondContact O-CB 3.48Å; F105-L109 PolarHBondContact O-N 2.98Å; F105-I123 HydrophobicContact CZ-CD1 4.02Å; F105-I123 HydrophobicContact CZ-CG1 4.25Å; F105-I123 HydrophobicContact CZ-CG2 4.28Å; F105-M135 HydrophobicContact CB-CE 3.35Å; F105-M135 HydrophobicContact CD1-CB 4.02Å; F105-M135 HydrophobicContact CD1-CE 3.42Å; F105-M135 VanDerWaalsContact CD1-CE 3.42Å; F105-M135 HydrophobicContact CD2-CE 3.8Å; F105-M135 HydrophobicContact CE1-CB 3.57Å; F105-M135 HydrophobicContact CE1-CE 4.18Å; F105-M135 WeakPolarHBondContact CE1-O 3.36Å; F105-M135 HydrophobicContact CE2-CB 4.27Å; F105-M135 HydrophobicContact CE2-CE 4.48Å; F105-M135 HydrophobicContact CG-CE 3.21Å; F105-M135 HydrophobicContact CZ-CB 3.7Å
106C98.9Very high98.6Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-64.7-40.3-179.8-67.40000111.6I102 K103 P104 D110 Y139 H142I102-C106 PolarHBondContact O-N 3.29Å; I102-C106 PolarHBondContact O-SG 2.91Å; K103-C106 WeakPolarHBondContact O-CB 3.19Å; K103-C106 PolarHBondContact O-N 3.03Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3Å; C106-D110 WeakPolarHBondContact O-CB 3.27Å; C106-D110 PolarHBondContact O-N 3.32Å; C106-Y139 HydrophobicContact CB-CD2 4.26Å; C106-H142 HydrophobicContact CB-CB 4.05Å
107E98.8Very high98.5Very high87 Ų8753.6 Ų53.641%0.40727%0.266SS..Hα-helixtrans-68.5-43.1179.2-71172.6164.700111.9K103 P104 F105 D110 Q111K103-E107 WeakPolarHBondContact CE-OE1 3.33Å; K103-E107 HydrophobicContact CG-CG 4.4Å; K103-E107 IonicContact NZ-OE1 3.36Å; K103-E107 PolarHBondContact NZ-OE1 2.96Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 3.49Å; P104-E107 PolarHBondContact O-N 3.03Å; F105-E107 VanDerWaalsContact C-N 3.34Å; E107-D110 PolarHBondContact O-N 3.47Å; E107-Q111 VanDerWaalsContact O-CB 3.27Å; E107-Q111 WeakPolarHBondContact O-CB 3.31Å; E107-Q111 PolarHBondContact O-N 3.41Å
108D98.9Very high98.5Very high37 Ų3759 Ų5920%0.19829%0.291CS..Hα-helixtrans-62-44.3174.2-178.313.1000111.6K67 Y69 Y89 P104 Q111 W112K67-D108 IonicContact NZ-OD1 3.92Å; K67-D108 PolarHBondContact NZ-OD1 2.88Å; K67-D108 IonicContact NZ-OD2 2.82Å; Y69-D108 PolarHBondContact OH-O 2.85Å; Y89-D108 WeakPolarHBondContact CE2-OD2 3.35Å; Y89-D108 WeakPolarHBondContact OH-CB 3.39Å; Y89-D108 VanDerWaalsContact OH-CG 3.29Å; Y89-D108 PolarHBondContact OH-OD2 3.28Å; P104-D108 WeakPolarHBondContact O-CB 3.47Å; P104-D108 PolarHBondContact O-N 3.45Å; D108-Q111 PolarHBondContact O-N 2.79Å; D108-W112 PolarHBondContact O-N 3.46Å
109L98.8Very high98.5Very high0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-64.4-42.3176.7-178.656.7000112.3Y69 F105 L113 A121 I123 Y139Y69-L109 HydrophobicContact CD2-CD1 4.42Å; Y69-L109 HydrophobicContact CE2-CD1 3.73Å; Y69-L109 WeakPolarHBondContact OH-CA 3.43Å; F105-L109 HydrophobicContact CE1-CD2 3.73Å; F105-L109 HydrophobicContact CZ-CD2 3.81Å; F105-L109 VanDerWaalsContact O-CB 3.23Å; F105-L109 WeakPolarHBondContact O-CB 3.48Å; F105-L109 PolarHBondContact O-N 2.98Å; L109-L113 HydrophobicContact CD1-CD1 3.64Å; L109-L113 HydrophobicContact CD1-CG 3.99Å; L109-L113 HydrophobicContact CG-CD1 3.98Å; L109-L113 WeakPolarHBondContact O-CB 3.25Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.5Å; L109-L113 VanDerWaalsContact O-N 3.07Å; L109-A121 HydrophobicContact CD1-CB 3.23Å; L109-I123 HydrophobicContact CD2-CD1 3.87Å; L109-Y139 HydrophobicContact CB-CD2 4.1Å; L109-Y139 HydrophobicContact CB-CE2 4.12Å; L109-Y139 HydrophobicContact CD2-CD1 3.5Å; L109-Y139 VanDerWaalsContact CD2-CD1 3.5Å; L109-Y139 HydrophobicContact CD2-CD2 3.75Å; L109-Y139 HydrophobicContact CD2-CE1 3.91Å; L109-Y139 HydrophobicContact CD2-CE2 4.16Å; L109-Y139 HydrophobicContact CD2-CG 3.39Å; L109-Y139 HydrophobicContact CG-CD1 4.08Å; L109-Y139 HydrophobicContact CG-CD2 3.92Å; L109-Y139 HydrophobicContact CG-CE1 3.99Å; L109-Y139 HydrophobicContact CG-CE2 3.85Å; L109-Y139 HydrophobicContact CG-CG 4.03Å
110D98.8Very high98.5Very high31 Ų3155.1 Ų55.117%0.16627%0.273CS..Hα-helixtrans-64.4-47176.8-163.130.5000111.2C106 E107 W112 L113 S114 Y139 R143C106-D110 WeakPolarHBondContact O-CB 3.27Å; C106-D110 PolarHBondContact O-N 3.32Å; E107-D110 PolarHBondContact O-N 3.47Å; D110-W112 PolarHBondContact O-N 3.4Å; D110-L113 PolarHBondContact O-N 3.25Å; D110-S114 WeakPolarHBondContact O-CB 3.47Å; D110-S114 PolarHBondContact O-N 3.43Å; D110-S114 PolarHBondContact O-OG 2.8Å; D110-S114 VanDerWaalsContact O-OG 3.11Å; D110-Y139 HydrophobicContact CB-CE2 3.87Å; D110-Y139 PolarHBondContact OD1-OH 3.42Å; D110-R143 VanDerWaalsContact CG-CD 3.46Å; D110-R143 VanDerWaalsContact CG-NH1 3.3Å; D110-R143 WeakPolarHBondContact OD1-CD 3.43Å; D110-R143 IonicContact OD1-CZ 3.99Å; D110-R143 IonicContact OD1-NE 3.36Å; D110-R143 PolarHBondContact OD1-NE 3.24Å; D110-R143 IonicContact OD1-NH1 3.91Å; D110-R143 PolarHBondContact OD1-NH1 2.89Å; D110-R143 IonicContact OD1-NH2 3.65Å; D110-R143 IonicContact OD2-CZ 3.25Å; D110-R143 IonicContact OD2-NE 2.71Å; D110-R143 IonicContact OD2-NH1 2.93Å; D110-R143 PolarHBondContact OD2-NH1 2.88Å
111Q98.7Very high98.6Very high106 Ų10649.5 Ų49.550%0.49525%0.247SC..Hα-helixtrans-54.8-54.3179.4-179.556.545.700110.1E107 D108 L113 S114 E115E107-Q111 VanDerWaalsContact O-CB 3.27Å; E107-Q111 WeakPolarHBondContact O-CB 3.31Å; E107-Q111 PolarHBondContact O-N 3.41Å; D108-Q111 PolarHBondContact O-N 2.79Å; Q111-L113 PolarHBondContact O-N 3.29Å; Q111-S114 PolarHBondContact O-N 2.86Å; Q111-S114 PolarHBondContact O-OG 3.22Å; Q111-E115 PolarHBondContact NE2-OE1 2.89Å; Q111-E115 WeakPolarHBondContact O-CG 3.46Å; Q111-E115 PolarHBondContact O-N 2.93Å
112W98.7Very high98.6Very high26 Ų2647.7 Ų47.710%0.09824%0.237CC..Hα-helixtrans-55.8-50.5177.3171.8-107.1000112.6Y66 K67 D108 D110 S114 E115 H119 V120Y66-W112 VanDerWaalsContact C-CZ2 3.46Å; K67-W112 HydrophobicContact CB-CD2 3.73Å; K67-W112 VanDerWaalsContact CB-CE2 3.41Å; K67-W112 HydrophobicContact CB-CE3 4.4Å; K67-W112 HydrophobicContact CB-CG 4.02Å; K67-W112 HydrophobicContact CB-CH2 4.48Å; K67-W112 HydrophobicContact CB-CZ2 3.83Å; K67-W112 HydrophobicContact CD-CB 4.19Å; K67-W112 HydrophobicContact CD-CD2 3.88Å; K67-W112 HydrophobicContact CD-CE3 4.14Å; K67-W112 HydrophobicContact CD-CG 3.89Å; K67-W112 HydrophobicContact CG-CD2 4.48Å; D108-W112 PolarHBondContact O-N 3.46Å; D110-W112 PolarHBondContact O-N 3.4Å; W112-S114 PolarHBondContact O-N 2.86Å; W112-E115 PolarHBondContact O-N 3.31Å; W112-H119 AromaticContact CD2-ND1 3.85Å; W112-H119 AromaticContact CE2-CG 3.77Å; W112-H119 AromaticContact CE2-ND1 3.89Å; W112-H119 AromaticContact CE3-CE1 3.91Å; W112-H119 AromaticContact CE3-ND1 3.84Å; W112-H119 AromaticContact CH2-CD2 3.77Å; W112-H119 AromaticContact CH2-CE1 3.7Å; W112-H119 AromaticContact CH2-ND1 3.99Å; W112-H119 AromaticContact CH2-NE2 3.55Å; W112-H119 HydrophobicContact CZ2-CB 4.18Å; W112-H119 AromaticContact CZ2-CD2 3.68Å; W112-H119 AromaticContact CZ2-CG 3.7Å; W112-H119 AromaticContact CZ2-ND1 3.98Å; W112-H119 AromaticContact CZ2-NE2 3.96Å; W112-H119 AromaticContact CZ3-CE1 3.57Å; W112-H119 AromaticContact CZ3-ND1 3.92Å; W112-H119 AromaticContact CZ3-NE2 3.88Å; W112-H119 PolarHBondContact O-ND1 2.82Å; W112-V120 PolarHBondContact NE1-O 2.8Å
113L98.6Very high98.6Very high13 Ų1347.7 Ų47.77%0.06824%0.237CC..Hα-helixtrans-72.2-17.2-175.9-67.9177.8000113.6N32 I33 L109 D110 Q111 H119 A121 Y139N32-L113 HydrophobicContact CB-CD2 4.18Å; I33-L113 HydrophobicContact CG1-CD1 4.08Å; L109-L113 HydrophobicContact CD1-CD1 3.64Å; L109-L113 HydrophobicContact CD1-CG 3.99Å; L109-L113 HydrophobicContact CG-CD1 3.98Å; L109-L113 WeakPolarHBondContact O-CB 3.25Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.5Å; L109-L113 VanDerWaalsContact O-N 3.07Å; D110-L113 PolarHBondContact O-N 3.25Å; Q111-L113 PolarHBondContact O-N 3.29Å; L113-H119 HydrophobicContact CD2-CB 4.42Å; L113-H119 WeakPolarHBondContact CD2-O 3.25Å; L113-A121 HydrophobicContact CD1-CB 4.43Å; L113-A121 HydrophobicContact CD2-CB 4.06Å; L113-A121 HydrophobicContact CG-CB 4.43Å; L113-Y139 HydrophobicContact CD1-CE1 3.84Å; L113-Y139 WeakPolarHBondContact CD1-OH 3.42Å
114S98.1Very high98.5Very high71 Ų7143.4 Ų43.450%0.49722%0.219SC..Hα-helixtrans-88.9-17.7178.473.20000114D110 Q111 W112D110-S114 WeakPolarHBondContact O-CB 3.47Å; D110-S114 PolarHBondContact O-N 3.43Å; D110-S114 PolarHBondContact O-OG 2.8Å; D110-S114 VanDerWaalsContact O-OG 3.11Å; Q111-S114 PolarHBondContact O-N 2.86Å; Q111-S114 PolarHBondContact O-OG 3.22Å; W112-S114 PolarHBondContact O-N 2.86Å
115E98.3Very high98.3Very high112 Ų11240.8 Ų40.852%0.52320%0.202SC..Hα-helixtrans-71.5-31.5-177.2-79.7167.1-171.600113.6Q111 W112 H119Q111-E115 PolarHBondContact NE2-OE1 2.89Å; Q111-E115 WeakPolarHBondContact O-CG 3.46Å; Q111-E115 PolarHBondContact O-N 2.93Å; W112-E115 PolarHBondContact O-N 3.31Å; E115-H119 IonicContact OE2-CE1 2.69Å
116D98.1Very high97.8Very high49 Ų4943.5 Ų43.526%0.26221%0.214SC..  trans-150.5136.6178.4-170.4-35000109.2H65 H118 H119H65-D116 IonicContact CE1-OD2 2.73Å; H65-D116 PolarHBondContact CE1-OD2 3.3Å; H65-D116 VanDerWaalsContact CE1-OD2 3.24Å; H65-D116 IonicContact ND1-OD2 2.71Å; H65-D116 PolarHBondContact ND1-OD2 3.1Å; D116-H118 PolarHBondContact O-N 2.63Å; D116-H118 WeakPolarHBondContact OD1-CB 3.39Å; D116-H118 IonicContact OD1-CG 2.89Å; D116-H118 PolarHBondContact OD1-N 3.14Å; D116-H118 IonicContact OD1-ND1 3.46Å; D116-H118 PolarHBondContact OD1-ND1 3.2Å; D116-H119 HydrophobicContact CB-CB 4.39Å; D116-H119 WeakPolarHBondContact O-CB 3.48Å; D116-H119 PolarHBondContact O-N 3.42Å
117E97.2Very high97.3Very high180 Ų18045.4 Ų45.484%0.84123%0.229SC*.THydrogen-bonded Turntrans-63.9-19.1177.151.3-176156.200113.8
118H97.8Very high96.8Very high117 Ų11741.3 Ų41.354%0.54221%0.21SC..THydrogen-bonded Turntrans-89.1-8173.4-56.185.6000113.3H65 D116 V120H65-H118 HydrophobicContact CB-CB 4.35Å; H65-H118 WeakPolarHBondContact CB-O 3.5Å; D116-H118 PolarHBondContact O-N 2.63Å; D116-H118 WeakPolarHBondContact OD1-CB 3.39Å; D116-H118 IonicContact OD1-CG 2.89Å; D116-H118 PolarHBondContact OD1-N 3.14Å; D116-H118 IonicContact OD1-ND1 3.46Å; D116-H118 PolarHBondContact OD1-ND1 3.2Å; H118-V120 PolarHBondContact O-N 3.4Å
119H98.6Very high96.5Very high19 Ų1941.7 Ų41.79%0.08821%0.21CC..  trans-64.9136.2-178.8-78.2172.9000112.2N32 H65 W112 L113 E115 D116N32-H119 VanDerWaalsContact CB-O 3.27Å; N32-H119 WeakPolarHBondContact CB-O 3.26Å; H65-H119 AromaticContact ND1-CD2 3.64Å; H65-H119 AromaticContact ND1-NE2 3.99Å; H65-H119 CarbonylContact O-C 3.58Å; H65-H119 VanDerWaalsContact O-CA 3.32Å; H65-H119 WeakPolarHBondContact O-CA 3.4Å; W112-H119 AromaticContact CD2-ND1 3.85Å; W112-H119 AromaticContact CE2-CG 3.77Å; W112-H119 AromaticContact CE2-ND1 3.89Å; W112-H119 AromaticContact CE3-CE1 3.91Å; W112-H119 AromaticContact CE3-ND1 3.84Å; W112-H119 AromaticContact CH2-CD2 3.77Å; W112-H119 AromaticContact CH2-CE1 3.7Å; W112-H119 AromaticContact CH2-ND1 3.99Å; W112-H119 AromaticContact CH2-NE2 3.55Å; W112-H119 HydrophobicContact CZ2-CB 4.18Å; W112-H119 AromaticContact CZ2-CD2 3.68Å; W112-H119 AromaticContact CZ2-CG 3.7Å; W112-H119 AromaticContact CZ2-ND1 3.98Å; W112-H119 AromaticContact CZ2-NE2 3.96Å; W112-H119 AromaticContact CZ3-CE1 3.57Å; W112-H119 AromaticContact CZ3-ND1 3.92Å; W112-H119 AromaticContact CZ3-NE2 3.88Å; W112-H119 PolarHBondContact O-ND1 2.82Å; L113-H119 HydrophobicContact CD2-CB 4.42Å; L113-H119 WeakPolarHBondContact CD2-O 3.25Å; E115-H119 IonicContact OE2-CE1 2.69Å; D116-H119 HydrophobicContact CB-CB 4.39Å; D116-H119 WeakPolarHBondContact O-CB 3.48Å; D116-H119 PolarHBondContact O-N 3.42Å
120V98.7Very high96.3Very high5 Ų542.5 Ų42.53%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-125.6141179.3-179.30000109.8N32 I34 H62 H65 Y66 K67 W112 H118N32-V120 WeakPolarHBondContact O-CA 3.47Å; I34-V120 HydrophobicContact CD1-CG1 3.62Å; I34-V120 HydrophobicContact CG1-CG1 3.98Å; H62-V120 HydrophobicContact CB-CG2 4.48Å; H62-V120 WeakPolarHBondContact ND1-CG2 3.45Å; H65-V120 PolarHBondContact O-N 2.64Å; Y66-V120 VanDerWaalsContact CA-O 3.26Å; Y66-V120 WeakPolarHBondContact CA-O 3.44Å; K67-V120 PolarHBondContact N-O 3.06Å; W112-V120 PolarHBondContact NE1-O 2.8Å; H118-V120 PolarHBondContact O-N 3.4Å
121A98.8Very high96.3Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-110.7129.1172.700000110.4N32 I34 K67 Y69 L109 L113N32-A121 PolarHBondContact O-N 3.42Å; I34-A121 PolarHBondContact N-O 3.14Å; K67-A121 WeakPolarHBondContact O-CA 3.21Å; Y69-A121 HydrophobicContact CD2-CB 4.14Å; Y69-A121 HydrophobicContact CE2-CB 3.78Å; L109-A121 HydrophobicContact CD1-CB 3.23Å; L113-A121 HydrophobicContact CD1-CB 4.43Å; L113-A121 HydrophobicContact CD2-CB 4.06Å; L113-A121 HydrophobicContact CG-CB 4.43Å
122A98.8Very high96.3Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-109.5109172.100000110.6I34 M36 K67 I68 Y69I34-A122 HydrophobicContact CB-CB 4.13Å; I34-A122 HydrophobicContact CG2-CB 4.27Å; M36-A122 HydrophobicContact CE-CB 3.94Å; M36-A122 HydrophobicContact SD-CB 4.13Å; K67-A122 PolarHBondContact O-N 2.89Å; I68-A122 CarbonylContact C-O 3.58Å; I68-A122 WeakPolarHBondContact CA-O 3.45Å; I68-A122 HydrophobicContact CD1-CB 3.8Å; Y69-A122 PolarHBondContact N-O 3.06Å
123I98.8Very high96.3Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-106.2129.5-173.5-55.2152.7000108.4I33 I34 M36 Y69 L71 F105 L109 T132 I136I33-I123 HydrophobicContact CG2-CD1 3.95Å; I34-I123 PolarHBondContact O-N 2.7Å; M36-I123 PolarHBondContact N-O 2.9Å; M36-I123 VanDerWaalsContact N-O 3.11Å; Y69-I123 HydrophobicContact CD2-CG1 4.01Å; Y69-I123 HydrophobicContact CG-CG1 4.22Å; L71-I123 HydrophobicContact CD1-CG2 3.8Å; L71-I123 HydrophobicContact CG-CG2 4.17Å; F105-I123 HydrophobicContact CZ-CD1 4.02Å; F105-I123 HydrophobicContact CZ-CG1 4.25Å; F105-I123 HydrophobicContact CZ-CG2 4.28Å; L109-I123 HydrophobicContact CD2-CD1 3.87Å; I123-T132 HydrophobicContact CB-CG2 4.33Å; I123-T132 HydrophobicContact CG2-CG2 4.05Å; I123-T132 WeakPolarHBondContact O-CG2 3.32Å; I123-I136 HydrophobicContact CB-CD1 4.35Å; I123-I136 HydrophobicContact CB-CG1 4.45Å; I123-I136 HydrophobicContact CD1-CD1 4Å; I123-I136 HydrophobicContact CD1-CG1 3.52Å
124H98Very high96.3Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-142.7158.3-175.782.483.5000113.1M36 F38 Y69 N70 L71 Y77M36-H124 HydrophobicContact CE-CB 3.95Å; M36-H124 HydrophobicContact CG-CB 3.56Å; M36-H124 WeakPolarHBondContact O-CA 3.34Å; M36-H124 VanDerWaalsContact O-CB 3.27Å; M36-H124 WeakPolarHBondContact O-CB 3.48Å; F38-H124 AromaticContact CD2-CE1 3.7Å; F38-H124 AromaticContact CD2-ND1 3.84Å; Y69-H124 PolarHBondContact O-CD2 2.88Å; Y69-H124 PolarHBondContact O-N 3.36Å; N70-H124 WeakPolarHBondContact CB-NE2 3.44Å; N70-H124 VanDerWaalsContact CG-CE1 3.45Å; N70-H124 PolarHBondContact OD1-CE1 3.12Å; L71-H124 WeakPolarHBondContact CB-O 3.29Å; L71-H124 WeakPolarHBondContact CG-O 3.26Å; L71-H124 PolarHBondContact N-O 3.39Å; Y77-H124 AromaticContact CE1-CE1 3.58Å; Y77-H124 AromaticContact CE1-NE2 3.45Å; Y77-H124 WeakPolarHBondContact CE1-NE2 3.27Å; Y77-H124 AromaticContact CZ-NE2 3.5Å; Y77-H124 PolarHBondContact OH-NE2 3Å
125C93.8Very high96.4Very high3 Ų330.8 Ų30.82%0.0216%0.155CC..  trans-131.6-147164.367.90000108.2F38 L71 C72 G128 R131 T132F38-C125 WeakPolarHBondContact CA-O 3.05Å; F38-C125 WeakPolarHBondContact CB-O 3.18Å; F38-C125 PolarHBondContact N-O 3.38Å; L71-C125 HydrophobicContact CB-CB 4.19Å; C72-C125 VanDerWaalsContact SG-CA 3.58Å; C125-G128 PolarHBondContact SG-N 2.89Å; C125-R131 HydrophobicContact CB-CB 3.84Å; C125-T132 PolarHBondContact N-OG1 2.9Å; C125-T132 PolarHBondContact SG-OG1 3.31Å; C125-T132 VanDerWaalsContact SG-OG1 3.41Å
126K89.6Confident96.4Very high58 Ų5825.5 Ų25.525%0.25213%0.13SC..SBendtrans-62.7-56.1172.4-169.5175.6-178.6-179.40111.7F38 R48 C72F38-K126 WeakPolarHBondContact CB-O 3.39Å; F38-K126 PolarHBondContact N-O 3.21Å; F38-K126 VanDerWaalsContact N-O 3.13Å; R48-K126 PolarHBondContact NH1-O 3.16Å; C72-K126 PolarHBondContact SG-N 3.29Å; C72-K126 VanDerWaalsContact SG-N 3.45Å
127A86.9Confident96.4Very high40 Ų4023.1 Ų23.133%0.33112%0.118SC..SBendtrans-111.3-4.3-17400000114.7K14 K129K14-A127 WeakPolarHBondContact CD-O 3.33Å; K14-A127 PolarHBondContact NZ-O 3.46Å; A127-K129 PolarHBondContact O-N 2.86Å
128G88.8Confident96.5Very high0 Ų014.6 Ų14.60%08%0.078CC..SBendtrans63.638.6-178.300000114M36 C125 Y156 R160M36-G128 WeakPolarHBondContact O-CA 3.36Å; C125-G128 PolarHBondContact SG-N 2.89Å; G128-Y156 PolarHBondContact O-OH 2.92Å; G128-R160 PolarHBondContact O-NE 2.98Å; G128-R160 PolarHBondContact O-NH2 3.06Å
129K91.8Very high96.6Very high46 Ų469.6 Ų9.620%0.25%0.054CC..SBendtrans-125.5-88.4-172.2-170-176-174.9-177.30112.2A127 G133 Y156 K165 G166A127-K129 PolarHBondContact O-N 2.86Å; K129-G133 WeakPolarHBondContact O-CA 3.34Å; K129-G133 PolarHBondContact O-N 2.99Å; K129-Y156 WeakPolarHBondContact O-CE1 3.27Å; K129-Y156 PolarHBondContact O-OH 3.24Å; K129-K165 WeakPolarHBondContact CE-O 3.39Å; K129-K165 PolarHBondContact NZ-O 2.94Å; K129-G166 WeakPolarHBondContact CG-O 3.46Å
130G96.4Very high96.6Very high16 Ų168.8 Ų8.817%0.1655%0.051CC..Hα-helixtrans-66.1-64.9-17500000113.7T132 G133 V134 Q172G130-T132 PolarHBondContact O-N 2.92Å; G130-G133 PolarHBondContact O-N 2.84Å; G130-G133 VanDerWaalsContact O-N 3.12Å; G130-V134 PolarHBondContact O-N 3.15Å; G130-Q172 VanDerWaalsContact CA-OE1 3.3Å
131R98.4Very high96.6Very high2 Ų29 Ų91%0.0085%0.051CC..Hα-helixtrans-55.7-50.3-179.3-65.1-172.8-88.7173.3-1.1112.6L71 E74 F91 D93 C125 G133 V134 M135L71-R131 HydrophobicContact CD1-CB 4.39Å; L71-R131 PolarHBondContact O-NH1 3.38Å; E74-R131 IonicContact OE1-CZ 3.46Å; E74-R131 IonicContact OE1-NH1 3.2Å; E74-R131 PolarHBondContact OE1-NH1 2.88Å; E74-R131 IonicContact OE1-NH2 2.66Å; E74-R131 PolarHBondContact OE1-NH2 2.94Å; E74-R131 IonicContact OE2-CZ 3.69Å; E74-R131 IonicContact OE2-NH1 3.86Å; E74-R131 PolarHBondContact OE2-NH1 3.46Å; E74-R131 IonicContact OE2-NH2 3.5Å; F91-R131 HydrophobicContact CD2-CG 3.99Å; F91-R131 HydrophobicContact CE1-CB 4.1Å; F91-R131 HydrophobicContact CE1-CG 4.48Å; F91-R131 HydrophobicContact CE2-CB 3.68Å; F91-R131 HydrophobicContact CE2-CG 3.38Å; F91-R131 HydrophobicContact CZ-CB 3.38Å; F91-R131 HydrophobicContact CZ-CG 3.67Å; F91-R131 WeakPolarHBondContact O-CD 3.32Å; F91-R131 PolarHBondContact O-NH1 2.86Å; D93-R131 VanDerWaalsContact CG-NH2 3.27Å; D93-R131 IonicContact OD1-CZ 3.57Å; D93-R131 IonicContact OD1-NE 2.63Å; D93-R131 PolarHBondContact OD1-NE 3.17Å; D93-R131 IonicContact OD1-NH2 3.97Å; D93-R131 PolarHBondContact OD1-NH2 3.04Å; D93-R131 IonicContact OD2-NH2 2.82Å; C125-R131 HydrophobicContact CB-CB 3.84Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-G133 PolarHBondContact O-N 2.62Å; R131-V134 PolarHBondContact O-N 2.91Å; R131-M135 PolarHBondContact O-N 3.5Å
132T98.6Very high96.6Very high0 Ų011.2 Ų11.20%06%0.062CC..Hα-helixtrans-57.4-44.3175.4-57.30000112.1A35 I123 C125 G130 V134 M135 I136A35-T132 HydrophobicContact CB-CG2 3.76Å; I123-T132 HydrophobicContact CB-CG2 4.33Å; I123-T132 HydrophobicContact CG2-CG2 4.05Å; I123-T132 WeakPolarHBondContact O-CG2 3.32Å; C125-T132 PolarHBondContact N-OG1 2.9Å; C125-T132 PolarHBondContact SG-OG1 3.31Å; C125-T132 VanDerWaalsContact SG-OG1 3.41Å; G130-T132 PolarHBondContact O-N 2.92Å; T132-V134 PolarHBondContact O-N 3.12Å; T132-M135 PolarHBondContact O-N 3.31Å; T132-I136 HydrophobicContact CG2-CD1 3.63Å; T132-I136 HydrophobicContact CG2-CG1 4.37Å; T132-I136 WeakPolarHBondContact O-CB 3.45Å; T132-I136 WeakPolarHBondContact O-CG1 3.43Å; T132-I136 PolarHBondContact O-N 3.47Å
133G98.6Very high96.6Very high0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-62.7-40.4177.900000113.5K129 G130 R131 M135 I136 C137 Y156K129-G133 WeakPolarHBondContact O-CA 3.34Å; K129-G133 PolarHBondContact O-N 2.99Å; G130-G133 PolarHBondContact O-N 2.84Å; G130-G133 VanDerWaalsContact O-N 3.12Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-G133 PolarHBondContact O-N 2.62Å; G133-M135 PolarHBondContact O-N 3.3Å; G133-I136 PolarHBondContact O-N 3.49Å; G133-C137 VanDerWaalsContact O-CB 3.25Å; G133-C137 WeakPolarHBondContact O-CB 3.41Å; G133-C137 PolarHBondContact O-N 3.27Å; G133-C137 PolarHBondContact O-SG 2.99Å; G133-Y156 PolarHBondContact N-OH 3.29Å
134V98.9Very high96.5Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-56.5-52.8175.9173.50000110.8P97 G130 R131 T132 C137 A138 V167 Q172 V176P97-V134 HydrophobicContact CG-CG1 3.94Å; G130-V134 PolarHBondContact O-N 3.15Å; R131-V134 PolarHBondContact O-N 2.91Å; T132-V134 PolarHBondContact O-N 3.12Å; V134-C137 PolarHBondContact O-N 2.78Å; V134-A138 VanDerWaalsContact O-CB 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.45Å; V134-A138 PolarHBondContact O-N 2.76Å; V134-V167 HydrophobicContact CG2-CG1 4.04Å; V134-Q172 HydrophobicContact CG2-CB 3.55Å; V134-Q172 HydrophobicContact CG2-CG 4Å; V134-V176 HydrophobicContact CB-CG2 4.28Å; V134-V176 HydrophobicContact CG1-CG2 3.97Å; V134-V176 HydrophobicContact CG2-CG2 4.36Å
135M98.9Very high96.5Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-68.6-39.5-175-56.2-53.3-67.900112L71 F91 P97 F105 R131 T132 G133 Y139L71-M135 HydrophobicContact CD1-CB 4.17Å; L71-M135 HydrophobicContact CD1-CG 3.68Å; L71-M135 HydrophobicContact CD2-CG 3.96Å; L71-M135 HydrophobicContact CG-CG 4.47Å; F91-M135 HydrophobicContact CE1-CG 3.91Å; F91-M135 HydrophobicContact CE1-SD 3.98Å; F91-M135 HydrophobicContact CZ-CG 4.18Å; F91-M135 HydrophobicContact CZ-SD 4.27Å; P97-M135 HydrophobicContact CB-SD 4.21Å; P97-M135 HydrophobicContact CG-SD 3.96Å; F105-M135 HydrophobicContact CB-CE 3.35Å; F105-M135 HydrophobicContact CD1-CB 4.02Å; F105-M135 HydrophobicContact CD1-CE 3.42Å; F105-M135 VanDerWaalsContact CD1-CE 3.42Å; F105-M135 HydrophobicContact CD2-CE 3.8Å; F105-M135 HydrophobicContact CE1-CB 3.57Å; F105-M135 HydrophobicContact CE1-CE 4.18Å; F105-M135 WeakPolarHBondContact CE1-O 3.36Å; F105-M135 HydrophobicContact CE2-CB 4.27Å; F105-M135 HydrophobicContact CE2-CE 4.48Å; F105-M135 HydrophobicContact CG-CE 3.21Å; F105-M135 HydrophobicContact CZ-CB 3.7Å; R131-M135 PolarHBondContact O-N 3.5Å; T132-M135 PolarHBondContact O-N 3.31Å; G133-M135 PolarHBondContact O-N 3.3Å; M135-Y139 PolarHBondContact O-N 3.33Å
136I98.9Very high96.8Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-66.2-46.6175.8-70.5176.2000111.2I29 I33 A35 I123 T132 G133 A138 Y139 L140 Y156I29-I136 HydrophobicContact CG1-CD1 4.09Å; I29-I136 HydrophobicContact CG2-CG2 4.01Å; I33-I136 HydrophobicContact CG2-CD1 4.16Å; I33-I136 HydrophobicContact CG2-CG1 4.25Å; I33-I136 HydrophobicContact CG2-CG2 4.41Å; A35-I136 HydrophobicContact CB-CD1 3.78Å; I123-I136 HydrophobicContact CB-CD1 4.35Å; I123-I136 HydrophobicContact CB-CG1 4.45Å; I123-I136 HydrophobicContact CD1-CD1 4Å; I123-I136 HydrophobicContact CD1-CG1 3.52Å; T132-I136 HydrophobicContact CG2-CD1 3.63Å; T132-I136 HydrophobicContact CG2-CG1 4.37Å; T132-I136 WeakPolarHBondContact O-CB 3.45Å; T132-I136 WeakPolarHBondContact O-CG1 3.43Å; T132-I136 PolarHBondContact O-N 3.47Å; G133-I136 PolarHBondContact O-N 3.49Å; I136-A138 VanDerWaalsContact C-N 3.32Å; I136-A138 PolarHBondContact O-N 3.42Å; I136-Y139 PolarHBondContact O-N 2.94Å; I136-L140 HydrophobicContact CG2-CD1 3.79Å; I136-L140 HydrophobicContact CG2-CG 4.27Å; I136-L140 VanDerWaalsContact O-CG 3.27Å; I136-L140 WeakPolarHBondContact O-CG 3.46Å; I136-L140 PolarHBondContact O-N 3.11Å; I136-Y156 HydrophobicContact CB-CD2 4.46Å; I136-Y156 HydrophobicContact CB-CE2 4.48Å; I136-Y156 HydrophobicContact CD1-CE2 4Å; I136-Y156 HydrophobicContact CG2-CD2 4.14Å; I136-Y156 HydrophobicContact CG2-CE2 4.49Å
137C98.9Very high97Very high0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-61.5-43.2178.8-66.10000111G133 V134 Y139 L140 L141 A152 Y156 V176G133-C137 VanDerWaalsContact O-CB 3.25Å; G133-C137 WeakPolarHBondContact O-CB 3.41Å; G133-C137 PolarHBondContact O-N 3.27Å; G133-C137 PolarHBondContact O-SG 2.99Å; V134-C137 PolarHBondContact O-N 2.78Å; C137-Y139 VanDerWaalsContact C-N 3.34Å; C137-Y139 PolarHBondContact O-N 3.42Å; C137-L140 PolarHBondContact O-N 2.84Å; C137-L141 WeakPolarHBondContact O-CD1 3.09Å; C137-L141 VanDerWaalsContact O-CG 3.31Å; C137-L141 WeakPolarHBondContact O-CG 3.17Å; C137-L141 PolarHBondContact O-N 3.19Å; C137-A152 HydrophobicContact CB-CB 4.06Å; C137-A152 PolarHBondContact SG-O 3.49Å; C137-A152 VanDerWaalsContact SG-O 3.38Å; C137-Y156 VanDerWaalsContact SG-CB 3.6Å; C137-V176 HydrophobicContact CB-CG1 3.8Å; C137-V176 HydrophobicContact CB-CG2 4.16Å
138A98.9Very high97.5Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-58.4-44.1175.300000112.2I102 V134 I136 L141 H142 Y179I102-A138 HydrophobicContact CG2-CB 3.48Å; I102-A138 VanDerWaalsContact CG2-CB 3.48Å; V134-A138 VanDerWaalsContact O-CB 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.45Å; V134-A138 PolarHBondContact O-N 2.76Å; I136-A138 VanDerWaalsContact C-N 3.32Å; I136-A138 PolarHBondContact O-N 3.42Å; A138-L141 PolarHBondContact O-N 3.12Å; A138-H142 WeakPolarHBondContact O-CB 3.43Å; A138-H142 PolarHBondContact O-N 3.12Å; A138-Y179 HydrophobicContact CB-CD1 3.69Å; A138-Y179 HydrophobicContact CB-CE1 4.09Å; A138-Y179 HydrophobicContact CB-CG 4.45Å; A138-Y179 WeakPolarHBondContact O-CE1 3.45Å
139Y98.9Very high97.9Very high12 Ų1231 Ų315%0.04715%0.152CC..Hα-helixtrans-65.5-40.9176.7175.8-111000113.2I33 C106 L109 D110 L113 M135 I136 C137 L141 H142 R143I33-Y139 HydrophobicContact CD1-CD1 3.85Å; I33-Y139 HydrophobicContact CD1-CE1 3.66Å; C106-Y139 HydrophobicContact CB-CD2 4.26Å; L109-Y139 HydrophobicContact CB-CD2 4.1Å; L109-Y139 HydrophobicContact CB-CE2 4.12Å; L109-Y139 HydrophobicContact CD2-CD1 3.5Å; L109-Y139 VanDerWaalsContact CD2-CD1 3.5Å; L109-Y139 HydrophobicContact CD2-CD2 3.75Å; L109-Y139 HydrophobicContact CD2-CE1 3.91Å; L109-Y139 HydrophobicContact CD2-CE2 4.16Å; L109-Y139 HydrophobicContact CD2-CG 3.39Å; L109-Y139 HydrophobicContact CG-CD1 4.08Å; L109-Y139 HydrophobicContact CG-CD2 3.92Å; L109-Y139 HydrophobicContact CG-CE1 3.99Å; L109-Y139 HydrophobicContact CG-CE2 3.85Å; L109-Y139 HydrophobicContact CG-CG 4.03Å; D110-Y139 HydrophobicContact CB-CE2 3.87Å; D110-Y139 PolarHBondContact OD1-OH 3.42Å; L113-Y139 HydrophobicContact CD1-CE1 3.84Å; L113-Y139 WeakPolarHBondContact CD1-OH 3.42Å; M135-Y139 PolarHBondContact O-N 3.33Å; I136-Y139 PolarHBondContact O-N 2.94Å; C137-Y139 VanDerWaalsContact C-N 3.34Å; C137-Y139 PolarHBondContact O-N 3.42Å; Y139-L141 VanDerWaalsContact C-N 3.27Å; Y139-L141 PolarHBondContact O-N 3.06Å; Y139-H142 WeakPolarHBondContact O-CB 3.34Å; Y139-H142 PolarHBondContact O-N 2.81Å; Y139-H142 VanDerWaalsContact O-N 3.12Å; Y139-R143 HydrophobicContact CD2-CG 4.25Å; Y139-R143 HydrophobicContact CE1-CG 4.29Å; Y139-R143 HydrophobicContact CE2-CG 3.6Å; Y139-R143 PolarHBondContact O-N 3.38Å
140L98.9Very high98.2Very high2 Ų233 Ų331%0.0116%0.163CC..Hα-helixtrans-63.6-35.9177.9-66.8171.1000111.8I29 Y30 I33 I136 C137 G144 K145 F146 F155I29-L140 HydrophobicContact CG2-CD1 4.4Å; Y30-L140 HydrophobicContact CD2-CD1 4.42Å; Y30-L140 HydrophobicContact CD2-CD2 3.66Å; Y30-L140 HydrophobicContact CE2-CD1 4.05Å; Y30-L140 HydrophobicContact CE2-CD2 3.44Å; Y30-L140 VanDerWaalsContact CE2-CD2 3.44Å; Y30-L140 HydrophobicContact CE2-CG 4.4Å; I33-L140 HydrophobicContact CD1-CD2 3.98Å; I136-L140 HydrophobicContact CG2-CD1 3.79Å; I136-L140 HydrophobicContact CG2-CG 4.27Å; I136-L140 VanDerWaalsContact O-CG 3.27Å; I136-L140 WeakPolarHBondContact O-CG 3.46Å; I136-L140 PolarHBondContact O-N 3.11Å; C137-L140 PolarHBondContact O-N 2.84Å; L140-G144 PolarHBondContact O-N 3.48Å; L140-K145 HydrophobicContact CB-CB 4.3Å; L140-K145 HydrophobicContact CD2-CB 4.25Å; L140-K145 HydrophobicContact CD2-CG 4.14Å; L140-K145 WeakPolarHBondContact O-CB 3.46Å; L140-K145 PolarHBondContact O-N 3.38Å; L140-F146 HydrophobicContact CB-CD2 3.93Å; L140-F146 HydrophobicContact CB-CE2 4.3Å; L140-F146 HydrophobicContact CD1-CD2 4.46Å; L140-F146 HydrophobicContact CD1-CE2 4.07Å; L140-F155 HydrophobicContact CD1-CD1 4.34Å; L140-F155 HydrophobicContact CD1-CE1 4.42Å
141L98.8Very high98.3Very high9 Ų936.9 Ų36.95%0.04718%0.176CC..Hα-helixtrans-68.2-43.9170.4-65.2161.9000111.6C137 A138 Y139 R143 G144 F146 A149 A152 V176 N180 L183C137-L141 WeakPolarHBondContact O-CD1 3.09Å; C137-L141 VanDerWaalsContact O-CG 3.31Å; C137-L141 WeakPolarHBondContact O-CG 3.17Å; C137-L141 PolarHBondContact O-N 3.19Å; A138-L141 PolarHBondContact O-N 3.12Å; Y139-L141 VanDerWaalsContact C-N 3.27Å; Y139-L141 PolarHBondContact O-N 3.06Å; L141-R143 PolarHBondContact O-N 2.86Å; L141-G144 PolarHBondContact O-N 3.06Å; L141-F146 HydrophobicContact CD2-CB 4Å; L141-A149 HydrophobicContact CD1-CB 4.36Å; L141-A152 HydrophobicContact CD1-CB 4.47Å; L141-A152 HydrophobicContact CD2-CB 4.22Å; L141-A152 HydrophobicContact CG-CB 4.1Å; L141-V176 HydrophobicContact CD1-CG1 3.62Å; L141-N180 HydrophobicContact CD1-CB 3.97Å; L141-L183 HydrophobicContact CB-CD1 3.87Å
142H98.7Very high98.3Very high48 Ų4836.8 Ų36.822%0.22218%0.176CC..Hα-helixtrans-54.8-39.4177.8-171.686.7000112.3C106 A138 Y139 G144 Y179 L183C106-H142 HydrophobicContact CB-CB 4.05Å; A138-H142 WeakPolarHBondContact O-CB 3.43Å; A138-H142 PolarHBondContact O-N 3.12Å; Y139-H142 WeakPolarHBondContact O-CB 3.34Å; Y139-H142 PolarHBondContact O-N 2.81Å; Y139-H142 VanDerWaalsContact O-N 3.12Å; H142-G144 VanDerWaalsContact C-N 3.32Å; H142-Y179 HydrophobicContact CB-CE1 4.09Å; H142-Y179 AromaticContact ND1-CZ 3.85Å; H142-Y179 PolarHBondContact ND1-OH 3.04Å; H142-L183 HydrophobicContact CB-CD1 4.44Å
143R98.3Very high98.3Very high126 Ų12636.9 Ų36.948%0.47518%0.176SC..THydrogen-bonded Turntrans-87.86.9177.3-70.3-67.6-73.3-175.40.3114.6D110 Y139 L141 K145D110-R143 VanDerWaalsContact CG-CD 3.46Å; D110-R143 VanDerWaalsContact CG-NH1 3.3Å; D110-R143 WeakPolarHBondContact OD1-CD 3.43Å; D110-R143 IonicContact OD1-CZ 3.99Å; D110-R143 IonicContact OD1-NE 3.36Å; D110-R143 PolarHBondContact OD1-NE 3.24Å; D110-R143 IonicContact OD1-NH1 3.91Å; D110-R143 PolarHBondContact OD1-NH1 2.89Å; D110-R143 IonicContact OD1-NH2 3.65Å; D110-R143 IonicContact OD2-CZ 3.25Å; D110-R143 IonicContact OD2-NE 2.71Å; D110-R143 IonicContact OD2-NH1 2.93Å; D110-R143 PolarHBondContact OD2-NH1 2.88Å; Y139-R143 HydrophobicContact CD2-CG 4.25Å; Y139-R143 HydrophobicContact CE1-CG 4.29Å; Y139-R143 HydrophobicContact CE2-CG 3.6Å; Y139-R143 PolarHBondContact O-N 3.38Å; L141-R143 PolarHBondContact O-N 2.86Å; R143-K145 HydrophobicContact CB-CG 4.36Å; R143-K145 PolarHBondContact O-N 2.79Å
144G98Very high98.3Very high41 Ų4140.9 Ų40.942%0.42320%0.198SC..THydrogen-bonded Turntrans61.824.6179.900000114.2L140 L141 H142 F146L140-G144 PolarHBondContact O-N 3.48Å; L141-G144 PolarHBondContact O-N 3.06Å; H142-G144 VanDerWaalsContact C-N 3.32Å; G144-F146 VanDerWaalsContact C-N 3.26Å
145K98.3Very high98.3Very high122 Ų12243.4 Ų43.453%0.5321%0.209SC..SBendtrans-69.9-28.7172.9-64.3-60.7-174.7-175.60111.7L140 R143L140-K145 HydrophobicContact CB-CB 4.3Å; L140-K145 HydrophobicContact CD2-CB 4.25Å; L140-K145 HydrophobicContact CD2-CG 4.14Å; L140-K145 WeakPolarHBondContact O-CB 3.46Å; L140-K145 PolarHBondContact O-N 3.38Å; R143-K145 HydrophobicContact CB-CG 4.36Å; R143-K145 PolarHBondContact O-N 2.79Å
146F98.4Very high98.3Very high35 Ų3543.4 Ų43.415%0.15421%0.209CC..  trans-130151.9169.1-63.3-74.4000108.7L140 L141 G144 E151 A152 F155L140-F146 HydrophobicContact CB-CD2 3.93Å; L140-F146 HydrophobicContact CB-CE2 4.3Å; L140-F146 HydrophobicContact CD1-CD2 4.46Å; L140-F146 HydrophobicContact CD1-CE2 4.07Å; L141-F146 HydrophobicContact CD2-CB 4Å; G144-F146 VanDerWaalsContact C-N 3.26Å; F146-E151 HydrophobicContact CB-CB 4.3Å; F146-E151 HydrophobicContact CD1-CB 3.66Å; F146-E151 HydrophobicContact CE1-CB 4.39Å; F146-E151 HydrophobicContact CG-CB 4.23Å; F146-A152 HydrophobicContact CB-CB 4.08Å; F146-A152 HydrophobicContact CD2-CB 3.76Å; F146-A152 HydrophobicContact CG-CB 4.03Å; F146-F155 HydrophobicContact CE1-CB 4.15Å; F146-F155 HydrophobicContact CE1-CG 4.33Å; F146-F155 HydrophobicContact CE2-CB 4.15Å; F146-F155 AromaticContact CE2-CD1 3.78Å; F146-F155 HydrophobicContact CE2-CD1 3.78Å; F146-F155 HydrophobicContact CE2-CE1 4.37Å; F146-F155 AromaticContact CE2-CG 3.96Å; F146-F155 HydrophobicContact CE2-CG 3.96Å; F146-F155 HydrophobicContact CZ-CB 3.6Å; F146-F155 AromaticContact CZ-CD1 3.7Å; F146-F155 HydrophobicContact CZ-CD1 3.7Å; F146-F155 AromaticContact CZ-CD2 3.83Å; F146-F155 HydrophobicContact CZ-CD2 3.83Å; F146-F155 HydrophobicContact CZ-CE1 4.32Å; F146-F155 HydrophobicContact CZ-CE2 4.43Å; F146-F155 AromaticContact CZ-CG 3.42Å; F146-F155 HydrophobicContact CZ-CG 3.42Å; F146-F155 VanDerWaalsContact CZ-CG 3.42Å
147Q95.5Very high98.1Very high125 Ų12543.4 Ų43.458%0.58421%0.209SC*.SBendtrans-98.5-25.7175.7-63.7-63.7-19.700111.4E151 N180Q147-E151 PolarHBondContact N-OE2 3.23Å; Q147-N180 PolarHBondContact O-ND2 2.78Å; Q147-N180 PolarHBondContact O-OD1 2.84Å
148E96.8Very high98Very high61 Ų6147.8 Ų47.829%0.28523%0.229SC..SBendtrans-118137.5-178.3-58.8-60166.800112.4Q150 E151 A152 R184E148-Q150 PolarHBondContact O-N 3Å; E148-E151 HydrophobicContact CB-CG 4.02Å; E148-E151 PolarHBondContact N-OE2 3.47Å; E148-E151 WeakPolarHBondContact O-CB 3.45Å; E148-E151 PolarHBondContact O-N 3.41Å; E148-E151 VanDerWaalsContact O-N 3.1Å; E148-A152 PolarHBondContact O-N 2.92Å; E148-R184 IonicContact OE1-CZ 2.97Å; E148-R184 IonicContact OE1-NH1 3.79Å; E148-R184 PolarHBondContact OE1-NH1 2.72Å; E148-R184 IonicContact OE1-NH2 3.59Å; E148-R184 IonicContact OE2-CZ 3.24Å; E148-R184 IonicContact OE2-NH1 2.95Å; E148-R184 PolarHBondContact OE2-NH1 3.19Å
149A97.6Very high97.9Very high5 Ų549.2 Ų49.24%0.04124%0.238CC..Hα-helixtrans-55.5-37.7178.300000112.6L141 A152 L153 V176 I177 N180L141-A149 HydrophobicContact CD1-CB 4.36Å; A149-A152 PolarHBondContact O-N 3.35Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 WeakPolarHBondContact O-CD1 3.41Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.01Å; A149-V176 HydrophobicContact CB-CG1 4.07Å; A149-I177 HydrophobicContact CB-CB 4.39Å; A149-I177 HydrophobicContact CB-CG1 3.78Å; A149-N180 HydrophobicContact CB-CB 3.93Å; A149-N180 PolarHBondContact N-ND2 3.18Å; A149-N180 VanDerWaalsContact N-ND2 3.14Å
150Q97.6Very high97.8Very high90 Ų9048.7 Ų48.742%0.42124%0.236SC..Hα-helixtrans-63.9-40.8179.7-173.162.24600111.7E148 L153 D154 R173E148-Q150 PolarHBondContact O-N 3Å; Q150-L153 PolarHBondContact O-N 3.48Å; Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact NE2-OD2 3.29Å; Q150-D154 WeakPolarHBondContact O-CB 3.41Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.22Å; Q150-R173 VanDerWaalsContact CD-NH2 3.33Å
151E98.3Very high97.4Very high96 Ų9648.6 Ų48.645%0.44924%0.235SC..Hα-helixtrans-62.3-46.6177.5-62.2171.9160.600111.2F146 Q147 E148 L153 D154 F155F146-E151 HydrophobicContact CB-CB 4.3Å; F146-E151 HydrophobicContact CD1-CB 3.66Å; F146-E151 HydrophobicContact CE1-CB 4.39Å; F146-E151 HydrophobicContact CG-CB 4.23Å; Q147-E151 PolarHBondContact N-OE2 3.23Å; E148-E151 HydrophobicContact CB-CG 4.02Å; E148-E151 PolarHBondContact N-OE2 3.47Å; E148-E151 WeakPolarHBondContact O-CB 3.45Å; E148-E151 PolarHBondContact O-N 3.41Å; E148-E151 VanDerWaalsContact O-N 3.1Å; E151-L153 PolarHBondContact O-N 2.92Å; E151-D154 PolarHBondContact O-N 2.84Å; E151-F155 VanDerWaalsContact O-CB 3.23Å; E151-F155 WeakPolarHBondContact O-CB 3.17Å; E151-F155 PolarHBondContact O-N 3.44Å
152A98.7Very high97Very high0 Ų056.9 Ų56.90%027%0.266CS..Hα-helixtrans-62.4-42.8178.100000111.9C137 L141 F146 E148 A149 Y156C137-A152 HydrophobicContact CB-CB 4.06Å; C137-A152 PolarHBondContact SG-O 3.49Å; C137-A152 VanDerWaalsContact SG-O 3.38Å; L141-A152 HydrophobicContact CD1-CB 4.47Å; L141-A152 HydrophobicContact CD2-CB 4.22Å; L141-A152 HydrophobicContact CG-CB 4.1Å; F146-A152 HydrophobicContact CB-CB 4.08Å; F146-A152 HydrophobicContact CD2-CB 3.76Å; F146-A152 HydrophobicContact CG-CB 4.03Å; E148-A152 PolarHBondContact O-N 2.92Å; A149-A152 PolarHBondContact O-N 3.35Å; A152-Y156 WeakPolarHBondContact O-CB 3.39Å; A152-Y156 PolarHBondContact O-N 2.96Å
153L98.5Very high96.5Very high3 Ų356.7 Ų56.72%0.01627%0.267CS..Hα-helixtrans-64.4-43.5178.6-73.6165.2000112.2A149 Q150 E151 G157 V167 R173 V176A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 WeakPolarHBondContact O-CD1 3.41Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.01Å; Q150-L153 PolarHBondContact O-N 3.48Å; E151-L153 PolarHBondContact O-N 2.92Å; L153-G157 PolarHBondContact O-N 3.4Å; L153-V167 HydrophobicContact CD2-CB 3.73Å; L153-V167 HydrophobicContact CD2-CG1 4.16Å; L153-V167 HydrophobicContact CD2-CG2 3.98Å; L153-R173 HydrophobicContact CD1-CB 4.2Å; L153-R173 HydrophobicContact CD1-CG 4.35Å; L153-R173 HydrophobicContact CD2-CG 4.39Å; L153-V176 HydrophobicContact CD1-CB 4.46Å; L153-V176 HydrophobicContact CD1-CG1 4.44Å; L153-V176 HydrophobicContact CD2-CB 4.35Å; L153-V176 HydrophobicContact CD2-CG1 4.41Å; L153-V176 HydrophobicContact CD2-CG2 4.09Å; L153-V176 HydrophobicContact CG-CG1 4.23Å
154D98.3Very high96.2Very high83 Ų8356.9 Ų56.944%0.44427%0.271SS..Hα-helixtrans-70.5-43.5-180-70.7-20.6000111.2Q150 E151 Y156 G157 E158Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact NE2-OD2 3.29Å; Q150-D154 WeakPolarHBondContact O-CB 3.41Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.22Å; E151-D154 PolarHBondContact O-N 2.84Å; D154-Y156 PolarHBondContact O-N 3.3Å; D154-G157 PolarHBondContact O-N 2.89Å; D154-E158 WeakPolarHBondContact O-CB 3.37Å; D154-E158 PolarHBondContact O-N 2.94Å
155F98.6Very high95.9Very high54 Ų5459.1 Ų59.124%0.23727%0.269CS..Hα-helixtrans-56.5-49.7173174.5-98.6000111.4I29 Y30 L140 F146 E151 G157 E158 V159I29-F155 HydrophobicContact CG2-CD1 4.39Å; I29-F155 HydrophobicContact CG2-CE1 3.72Å; Y30-F155 HydrophobicContact CD2-CE1 4.03Å; Y30-F155 HydrophobicContact CD2-CZ 4.3Å; Y30-F155 HydrophobicContact CE2-CD1 4.43Å; Y30-F155 AromaticContact CE2-CE1 3.46Å; Y30-F155 HydrophobicContact CE2-CE1 3.46Å; Y30-F155 VanDerWaalsContact CE2-CE1 3.46Å; Y30-F155 AromaticContact CE2-CZ 3.71Å; Y30-F155 HydrophobicContact CE2-CZ 3.71Å; L140-F155 HydrophobicContact CD1-CD1 4.34Å; L140-F155 HydrophobicContact CD1-CE1 4.42Å; F146-F155 HydrophobicContact CE1-CB 4.15Å; F146-F155 HydrophobicContact CE1-CG 4.33Å; F146-F155 HydrophobicContact CE2-CB 4.15Å; F146-F155 AromaticContact CE2-CD1 3.78Å; F146-F155 HydrophobicContact CE2-CD1 3.78Å; F146-F155 HydrophobicContact CE2-CE1 4.37Å; F146-F155 AromaticContact CE2-CG 3.96Å; F146-F155 HydrophobicContact CE2-CG 3.96Å; F146-F155 HydrophobicContact CZ-CB 3.6Å; F146-F155 AromaticContact CZ-CD1 3.7Å; F146-F155 HydrophobicContact CZ-CD1 3.7Å; F146-F155 AromaticContact CZ-CD2 3.83Å; F146-F155 HydrophobicContact CZ-CD2 3.83Å; F146-F155 HydrophobicContact CZ-CE1 4.32Å; F146-F155 HydrophobicContact CZ-CE2 4.43Å; F146-F155 AromaticContact CZ-CG 3.42Å; F146-F155 HydrophobicContact CZ-CG 3.42Å; F146-F155 VanDerWaalsContact CZ-CG 3.42Å; E151-F155 VanDerWaalsContact O-CB 3.23Å; E151-F155 WeakPolarHBondContact O-CB 3.17Å; E151-F155 PolarHBondContact O-N 3.44Å; F155-G157 VanDerWaalsContact C-N 3.33Å; F155-G157 PolarHBondContact O-N 2.93Å; F155-E158 PolarHBondContact O-N 2.97Å; F155-V159 HydrophobicContact CD1-CG2 4.49Å; F155-V159 HydrophobicContact CD2-CG2 4.07Å; F155-V159 HydrophobicContact CE1-CG2 4.15Å; F155-V159 HydrophobicContact CE2-CG2 3.71Å; F155-V159 HydrophobicContact CG-CG2 4.45Å; F155-V159 HydrophobicContact CZ-CG2 3.75Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.72Å
156Y98.5Very high95.7Very high0 Ų053.5 Ų53.50%025%0.245CC..Hα-helixtrans-60-43.8177.6178.6-99.1000111.8I29 A35 G128 K129 G133 I136 C137 A152 D154 V159 R160 V167I29-Y156 HydrophobicContact CD1-CD2 3.81Å; I29-Y156 HydrophobicContact CD1-CE2 3.71Å; I29-Y156 HydrophobicContact CG1-CD2 4.1Å; I29-Y156 HydrophobicContact CG1-CE2 3.97Å; I29-Y156 HydrophobicContact CG2-CD2 4.3Å; A35-Y156 HydrophobicContact CB-CE2 4.11Å; G128-Y156 PolarHBondContact O-OH 2.92Å; K129-Y156 WeakPolarHBondContact O-CE1 3.27Å; K129-Y156 PolarHBondContact O-OH 3.24Å; G133-Y156 PolarHBondContact N-OH 3.29Å; I136-Y156 HydrophobicContact CB-CD2 4.46Å; I136-Y156 HydrophobicContact CB-CE2 4.48Å; I136-Y156 HydrophobicContact CD1-CE2 4Å; I136-Y156 HydrophobicContact CG2-CD2 4.14Å; I136-Y156 HydrophobicContact CG2-CE2 4.49Å; C137-Y156 VanDerWaalsContact SG-CB 3.6Å; A152-Y156 WeakPolarHBondContact O-CB 3.39Å; A152-Y156 PolarHBondContact O-N 2.96Å; D154-Y156 PolarHBondContact O-N 3.3Å; Y156-V159 PolarHBondContact O-N 2.83Å; Y156-R160 HydrophobicContact CD1-CB 4.46Å; Y156-R160 HydrophobicContact CD2-CB 4.42Å; Y156-R160 HydrophobicContact CE1-CB 4.11Å; Y156-R160 HydrophobicContact CE1-CG 4.19Å; Y156-R160 HydrophobicContact CE2-CB 4.07Å; Y156-R160 HydrophobicContact CE2-CG 4.28Å; Y156-R160 WeakPolarHBondContact O-CB 3.2Å; Y156-R160 PolarHBondContact O-N 2.84Å; Y156-V167 HydrophobicContact CD1-CG2 4.17Å; Y156-V167 HydrophobicContact CE1-CG2 4.34Å
157G96.4Very high95.7Very high0 Ų052 Ų520%024%0.239CC..Hα-helixtrans-59.8-46.6176.700000112.6L153 D154 F155 T161L153-G157 PolarHBondContact O-N 3.4Å; D154-G157 PolarHBondContact O-N 2.89Å; F155-G157 VanDerWaalsContact C-N 3.33Å; F155-G157 PolarHBondContact O-N 2.93Å; G157-T161 PolarHBondContact O-N 3.34Å; G157-T161 PolarHBondContact O-OG1 2.74Å; G157-T161 VanDerWaalsContact O-OG1 3.1Å
158E96.9Very high95.7Very high92 Ų9248.8 Ų48.843%0.4323%0.228SC..Hα-helixtrans-65.5-41.4179.7-177.9153-130.500112.5R15 D154 F155 T161 K164R15-E158 PolarHBondContact NE-O 3.42Å; R15-E158 PolarHBondContact NH2-O 3.16Å; D154-E158 WeakPolarHBondContact O-CB 3.37Å; D154-E158 PolarHBondContact O-N 2.94Å; F155-E158 PolarHBondContact O-N 2.97Å; E158-T161 VanDerWaalsContact O-O 3.09Å; E158-K164 WeakPolarHBondContact OE1-CE 3.18Å; E158-K164 IonicContact OE1-NZ 3.21Å; E158-K164 PolarHBondContact OE1-NZ 2.85Å
159V96.8Very high95.8Very high30 Ų3047.1 Ų47.118%0.18222%0.221CC..Hα-helixtrans-77.3-42.5-179.1179.20000111.5R15 T27 I29 F155 Y156R15-V159 WeakPolarHBondContact CD-O 3.4Å; R15-V159 PolarHBondContact NE-O 2.8Å; T27-V159 HydrophobicContact CG2-CG1 4.14Å; I29-V159 HydrophobicContact CD1-CB 4.4Å; I29-V159 HydrophobicContact CD1-CG1 4Å; F155-V159 HydrophobicContact CD1-CG2 4.49Å; F155-V159 HydrophobicContact CD2-CG2 4.07Å; F155-V159 HydrophobicContact CE1-CG2 4.15Å; F155-V159 HydrophobicContact CE2-CG2 3.71Å; F155-V159 HydrophobicContact CG-CG2 4.45Å; F155-V159 HydrophobicContact CZ-CG2 3.75Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.72Å; Y156-V159 PolarHBondContact O-N 2.83Å
160R96.1Very high95.8Very high0 Ų047.5 Ų47.50%022%0.223CC..Hα-helixtrans-78.9-30.9-174.4-176.454.1177132.54.4113.6R15 D25 T27 I29 G128 Y156R15-R160 PolarHBondContact N-O 2.87Å; R15-R160 PolarHBondContact O-NH1 3Å; R15-R160 VanDerWaalsContact O-NH1 3.11Å; D25-R160 IonicContact OD1-CZ 3.64Å; D25-R160 VanDerWaalsContact OD1-CZ 3.25Å; D25-R160 IonicContact OD1-NH1 3.23Å; D25-R160 PolarHBondContact OD1-NH1 3.48Å; D25-R160 IonicContact OD1-NH2 2.7Å; D25-R160 PolarHBondContact OD1-NH2 2.8Å; D25-R160 IonicContact OD2-NH2 2.64Å; T27-R160 WeakPolarHBondContact OG1-CD 3.08Å; T27-R160 PolarHBondContact OG1-NH1 3.26Å; I29-R160 HydrophobicContact CD1-CB 3.98Å; G128-R160 PolarHBondContact O-NE 2.98Å; G128-R160 PolarHBondContact O-NH2 3.06Å; Y156-R160 HydrophobicContact CD1-CB 4.46Å; Y156-R160 HydrophobicContact CD2-CB 4.42Å; Y156-R160 HydrophobicContact CE1-CB 4.11Å; Y156-R160 HydrophobicContact CE1-CG 4.19Å; Y156-R160 HydrophobicContact CE2-CB 4.07Å; Y156-R160 HydrophobicContact CE2-CG 4.28Å; Y156-R160 WeakPolarHBondContact O-CB 3.2Å; Y156-R160 PolarHBondContact O-N 2.84Å
161T91.1Very high95.9Very high1 Ų143.2 Ų43.21%0.00620%0.203CC..BIsolated β-bridgetrans-126.7165.3-174.783.50000112.5N13 R15 G157 E158 D163 K164 K165N13-T161 CarbonylContact O-C 3.46Å; N13-T161 WeakPolarHBondContact O-CA 3.39Å; N13-T161 WeakPolarHBondContact O-CB 3.23Å; R15-T161 PolarHBondContact NE-O 3.39Å; R15-T161 VanDerWaalsContact NE-O 3.11Å; G157-T161 PolarHBondContact O-N 3.34Å; G157-T161 PolarHBondContact O-OG1 2.74Å; G157-T161 VanDerWaalsContact O-OG1 3.1Å; E158-T161 VanDerWaalsContact O-O 3.09Å; T161-D163 VanDerWaalsContact CB-OD1 3.24Å; T161-D163 WeakPolarHBondContact CB-OD1 3.43Å; T161-D163 PolarHBondContact OG1-OD1 3.45Å; T161-K164 WeakPolarHBondContact OG1-CA 3.4Å; T161-K164 PolarHBondContact OG1-N 2.83Å; T161-K164 VanDerWaalsContact OG1-N 3.1Å; T161-K165 PolarHBondContact OG1-N 3.15Å; T161-K165 VanDerWaalsContact OG1-N 3.07Å
162R89.4Confident95.9Very high182 Ų18238.8 Ų38.869%0.68718%0.182SC*.SBendtrans-86.7-27.5176.1-65.6-176.7175.9-175.50.4112N13 R15N13-R162 PolarHBondContact O-N 2.99Å; R15-R162 HydrophobicContact CG-CG 4.15Å
163D89.6Confident95.9Very high45 Ų4541.4 Ų41.424%0.24119%0.192CC..SBendtrans-97.66.2-176.663.5-5.1000113.5N13 T161 K165N13-D163 HydrophobicContact CB-CB 4.26Å; N13-D163 WeakPolarHBondContact CB-OD2 3.34Å; N13-D163 PolarHBondContact ND2-OD2 3.45Å; T161-D163 VanDerWaalsContact CB-OD1 3.24Å; T161-D163 WeakPolarHBondContact CB-OD1 3.43Å; T161-D163 PolarHBondContact OG1-OD1 3.45Å; D163-K165 HydrophobicContact CB-CG 4.4Å; D163-K165 PolarHBondContact O-N 2.9Å; D163-K165 VanDerWaalsContact O-N 3.09Å; D163-K165 WeakPolarHBondContact OD1-CB 3.27Å; D163-K165 PolarHBondContact OD1-N 3.16Å; D163-K165 WeakPolarHBondContact OD2-CD 3.41Å
164K92.1Very high95.9Very high129 Ų12942.1 Ų42.156%0.56120%0.195SC*.SBendtrans61.29.3-175-50.3-172.2173.6-149.50114.7E158 T161 G166E158-K164 WeakPolarHBondContact OE1-CE 3.18Å; E158-K164 IonicContact OE1-NZ 3.21Å; E158-K164 PolarHBondContact OE1-NZ 2.85Å; T161-K164 WeakPolarHBondContact OG1-CA 3.4Å; T161-K164 PolarHBondContact OG1-N 2.83Å; T161-K164 VanDerWaalsContact OG1-N 3.1Å; K164-G166 PolarHBondContact O-N 2.99Å; K164-G166 VanDerWaalsContact O-N 3.17Å
165K90.6Very high95.9Very high89 Ų8938.2 Ų38.239%0.38717%0.174SC..  trans-87.774.5177.9-64.1-175.1-171.4168.90110.9K129 T161 D163 T168 E397K129-K165 WeakPolarHBondContact CE-O 3.39Å; K129-K165 PolarHBondContact NZ-O 2.94Å; T161-K165 PolarHBondContact OG1-N 3.15Å; T161-K165 VanDerWaalsContact OG1-N 3.07Å; D163-K165 HydrophobicContact CB-CG 4.4Å; D163-K165 PolarHBondContact O-N 2.9Å; D163-K165 VanDerWaalsContact O-N 3.09Å; D163-K165 WeakPolarHBondContact OD1-CB 3.27Å; D163-K165 PolarHBondContact OD1-N 3.16Å; D163-K165 WeakPolarHBondContact OD2-CD 3.41Å; K165-T168 HydrophobicContact CB-CG2 3.71Å; K165-T168 HydrophobicContact CG-CG2 4.25Å; K165-E397 IonicContact NZ-OE1 3.54Å
166G94.3Very high95.9Very high3 Ų335.6 Ų35.63%0.03116%0.162CC..SBendtrans-75.5-98.6171.500000112.2K129 K164 T168K129-G166 WeakPolarHBondContact CG-O 3.46Å; K164-G166 PolarHBondContact O-N 2.99Å; K164-G166 VanDerWaalsContact O-N 3.17Å; G166-T168 PolarHBondContact O-N 2.98Å
167V97.6Very high95.9Very high3 Ų338.4 Ų38.42%0.01818%0.177CC..SBendtrans-87.1101.8175-172.50000109.5V134 L153 Y156 Q172 R173V134-V167 HydrophobicContact CG2-CG1 4.04Å; L153-V167 HydrophobicContact CD2-CB 3.73Å; L153-V167 HydrophobicContact CD2-CG1 4.16Å; L153-V167 HydrophobicContact CD2-CG2 3.98Å; Y156-V167 HydrophobicContact CD1-CG2 4.17Å; Y156-V167 HydrophobicContact CE1-CG2 4.34Å; V167-Q172 HydrophobicContact CG1-CB 3.57Å; V167-R173 HydrophobicContact CB-CG 4.4Å; V167-R173 HydrophobicContact CG1-CG 3.86Å; V167-R173 WeakPolarHBondContact O-CD 3.46Å; V167-R173 WeakPolarHBondContact O-CG 3.38Å; V167-R173 PolarHBondContact O-NH1 2.82Å
168T95.9Very high96Very high59 Ų5939.2 Ų39.236%0.36218%0.18SC..  trans-104.6-20.8-174.554.20000114.3K165 G166 P170K165-T168 HydrophobicContact CB-CG2 3.71Å; K165-T168 HydrophobicContact CG-CG2 4.25Å; G166-T168 PolarHBondContact O-N 2.98Å; T168-P170 WeakPolarHBondContact O-CD 3.4Å
169I98.4Very high96.1Very high25 Ų2535.2 Ų35.213%0.12816%0.161CC..  trans-73.7120.4-179.5-61.2176.7000108.5H94 S171 Q172 R173 D334H94-I169 HydrophobicContact CB-CD1 3.79Å; I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.21Å; I169-Q172 HydrophobicContact CB-CB 4.14Å; I169-Q172 HydrophobicContact CB-CG 4.09Å; I169-Q172 HydrophobicContact CG2-CG 4.27Å; I169-Q172 WeakPolarHBondContact O-CB 3.46Å; I169-Q172 PolarHBondContact O-N 3.13Å; I169-R173 PolarHBondContact O-N 2.93Å; I169-D334 HydrophobicContact CG2-CB 4.41Å; I169-D334 VanDerWaalsContact CG2-OD1 3.27Å; I169-D334 WeakPolarHBondContact CG2-OD1 3.28Å
170P98.6Very high96.2Very high13 Ų1334.3 Ų34.38%0.08416%0.155CC..Hα-helixtrans-54.3-42.4-177.7-30.535.9000114.3T168 Q172 R173 R174 N331 E332 D334 N337T168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-Q172 VanDerWaalsContact C-N 3.31Å; P170-Q172 PolarHBondContact O-N 3.4Å; P170-R173 PolarHBondContact O-N 3.09Å; P170-R174 WeakPolarHBondContact O-CB 3.36Å; P170-R174 PolarHBondContact O-N 3.47Å; P170-N331 WeakPolarHBondContact CG-O 3.37Å; P170-E332 WeakPolarHBondContact CB-O 3.43Å; P170-D334 WeakPolarHBondContact CD-OD1 3.37Å; P170-N337 WeakPolarHBondContact CD-ND2 3.43Å; P170-N337 HydrophobicContact CG-CB 4.17Å; P170-N337 WeakPolarHBondContact CG-ND2 3.05Å
171S98.8Very high96.3Very high0 Ų035.5 Ų35.50%016%0.16CC..Hα-helixtrans-61.1-38175.9-650000113.1I169 R174 Y175 W275 D334I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.21Å; S171-R174 PolarHBondContact O-N 2.78Å; S171-R174 PolarHBondContact OG-NH1 3.04Å; S171-Y175 WeakPolarHBondContact O-CD2 3.38Å; S171-Y175 PolarHBondContact O-N 3.4Å; S171-W275 PolarHBondContact OG-N 3.16Å; S171-D334 WeakPolarHBondContact CB-OD2 3.11Å; S171-D334 PolarHBondContact N-OD1 2.99Å; S171-D334 PolarHBondContact OG-OD1 3.24Å; S171-D334 PolarHBondContact OG-OD2 3.41Å
172Q98.8Very high96.6Very high3 Ų336.1 Ų36.11%0.01416%0.164CC..Hα-helixtrans-65.8-43.5174.2-74-178-1800111.9N95 G130 V134 V167 I169 P170 R174 Y175 V176N95-Q172 PolarHBondContact O-NE2 3.18Å; G130-Q172 VanDerWaalsContact CA-OE1 3.3Å; V134-Q172 HydrophobicContact CG2-CB 3.55Å; V134-Q172 HydrophobicContact CG2-CG 4Å; V167-Q172 HydrophobicContact CG1-CB 3.57Å; I169-Q172 HydrophobicContact CB-CB 4.14Å; I169-Q172 HydrophobicContact CB-CG 4.09Å; I169-Q172 HydrophobicContact CG2-CG 4.27Å; I169-Q172 WeakPolarHBondContact O-CB 3.46Å; I169-Q172 PolarHBondContact O-N 3.13Å; P170-Q172 VanDerWaalsContact C-N 3.31Å; P170-Q172 PolarHBondContact O-N 3.4Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-R174 PolarHBondContact O-N 3.23Å; Q172-Y175 PolarHBondContact O-N 2.75Å; Q172-V176 PolarHBondContact O-N 3.25Å
173R98.8Very high96.9Very high56 Ų5630.1 Ų30.121%0.21115%0.145CC..Hα-helixtrans-62-42176-62.2176.167.280.62.1111.6Q150 L153 V167 I169 P170 Y175 V176 I177Q150-R173 VanDerWaalsContact CD-NH2 3.33Å; L153-R173 HydrophobicContact CD1-CB 4.2Å; L153-R173 HydrophobicContact CD1-CG 4.35Å; L153-R173 HydrophobicContact CD2-CG 4.39Å; V167-R173 HydrophobicContact CB-CG 4.4Å; V167-R173 HydrophobicContact CG1-CG 3.86Å; V167-R173 WeakPolarHBondContact O-CD 3.46Å; V167-R173 WeakPolarHBondContact O-CG 3.38Å; V167-R173 PolarHBondContact O-NH1 2.82Å; I169-R173 PolarHBondContact O-N 2.93Å; P170-R173 PolarHBondContact O-N 3.09Å; R173-Y175 VanDerWaalsContact C-N 3.26Å; R173-Y175 PolarHBondContact O-N 2.97Å; R173-V176 WeakPolarHBondContact O-CB 3.32Å; R173-V176 PolarHBondContact O-N 3.2Å; R173-V176 VanDerWaalsContact O-N 3.12Å; R173-I177 WeakPolarHBondContact O-CG1 3.4Å; R173-I177 PolarHBondContact O-N 2.56Å
174R98.6Very high97.2Very high17 Ų1734.8 Ų34.86%0.06416%0.159CC..Hα-helixtrans-56-39.3178.1-173.5-178.3-63.2109.19.2111.9P170 S171 Q172 I177 Y178 W275 E332P170-R174 WeakPolarHBondContact O-CB 3.36Å; P170-R174 PolarHBondContact O-N 3.47Å; S171-R174 PolarHBondContact O-N 2.78Å; S171-R174 PolarHBondContact OG-NH1 3.04Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-R174 PolarHBondContact O-N 3.23Å; R174-I177 CarbonylContact O-C 3.59Å; R174-I177 WeakPolarHBondContact O-CB 3.11Å; R174-I177 PolarHBondContact O-N 3.23Å; R174-Y178 WeakPolarHBondContact CD-OH 3.18Å; R174-Y178 HydrophobicContact CG-CD1 4.22Å; R174-Y178 HydrophobicContact CG-CD2 4.29Å; R174-Y178 HydrophobicContact CG-CE1 3.76Å; R174-Y178 HydrophobicContact CG-CE2 3.82Å; R174-Y178 HydrophobicContact CG-CG 4.49Å; R174-Y178 WeakPolarHBondContact O-CB 3.46Å; R174-Y178 VanDerWaalsContact O-CG 3.28Å; R174-Y178 PolarHBondContact O-N 3.44Å; R174-W275 WeakPolarHBondContact CD-O 3.26Å; R174-W275 PolarHBondContact NH1-O 2.81Å; R174-E332 PolarHBondContact NH2-O 2.92Å
175Y98.8Very high97.4Very high1 Ų131.4 Ų31.40%0.00415%0.147CC..Hα-helixtrans-73.2-28.9-179.8-83.2-118.5000113.1P96 P97 L99 S171 Q172 R173 Y178 Y179 D253 W275P96-Y175 HydrophobicContact CB-CD1 3.77Å; P96-Y175 HydrophobicContact CB-CD2 3.41Å; P96-Y175 VanDerWaalsContact CB-CD2 3.41Å; P96-Y175 HydrophobicContact CB-CE1 4.07Å; P96-Y175 HydrophobicContact CB-CE2 3.71Å; P96-Y175 HydrophobicContact CB-CG 3.42Å; P96-Y175 VanDerWaalsContact CB-CG 3.42Å; P96-Y175 HydrophobicContact CG-CD1 4.43Å; P96-Y175 HydrophobicContact CG-CD2 3.71Å; P96-Y175 HydrophobicContact CG-CE1 4.25Å; P96-Y175 HydrophobicContact CG-CE2 3.47Å; P96-Y175 VanDerWaalsContact CG-CE2 3.47Å; P96-Y175 HydrophobicContact CG-CG 4.17Å; P97-Y175 WeakPolarHBondContact O-CD1 3.5Å; P97-Y175 WeakPolarHBondContact O-CE1 3.36Å; L99-Y175 HydrophobicContact CB-CD1 4.5Å; L99-Y175 HydrophobicContact CB-CE1 4.25Å; L99-Y175 HydrophobicContact CD1-CD1 4.32Å; S171-Y175 WeakPolarHBondContact O-CD2 3.38Å; S171-Y175 PolarHBondContact O-N 3.4Å; Q172-Y175 PolarHBondContact O-N 2.75Å; R173-Y175 VanDerWaalsContact C-N 3.26Å; R173-Y175 PolarHBondContact O-N 2.97Å; Y175-Y178 HydrophobicContact CD2-CD2 4.15Å; Y175-Y178 HydrophobicContact CD2-CE2 4.36Å; Y175-Y178 HydrophobicContact CE2-CD2 4.35Å; Y175-Y178 HydrophobicContact CE2-CE2 4.22Å; Y175-Y178 HydrophobicContact CG-CD2 4.35Å; Y175-Y179 PolarHBondContact O-N 2.71Å; Y175-D253 VanDerWaalsContact CE1-OD1 3.26Å; Y175-D253 WeakPolarHBondContact CE1-OD1 3.5Å; Y175-D253 VanDerWaalsContact CZ-OD1 3.3Å; Y175-D253 VanDerWaalsContact OH-CG 3.27Å; Y175-D253 PolarHBondContact OH-OD1 3.49Å; Y175-W275 HydrophobicContact CE2-CB 3.89Å
176V98.8Very high97.6Very high0 Ų038 Ų380%017%0.17CC..Hα-helixtrans-66.8-41.1168.3-178.40000110.4V134 C137 L141 A149 L153 Q172 R173 Y179 N180V134-V176 HydrophobicContact CB-CG2 4.28Å; V134-V176 HydrophobicContact CG1-CG2 3.97Å; V134-V176 HydrophobicContact CG2-CG2 4.36Å; C137-V176 HydrophobicContact CB-CG1 3.8Å; C137-V176 HydrophobicContact CB-CG2 4.16Å; L141-V176 HydrophobicContact CD1-CG1 3.62Å; A149-V176 HydrophobicContact CB-CG1 4.07Å; L153-V176 HydrophobicContact CD1-CB 4.46Å; L153-V176 HydrophobicContact CD1-CG1 4.44Å; L153-V176 HydrophobicContact CD2-CB 4.35Å; L153-V176 HydrophobicContact CD2-CG1 4.41Å; L153-V176 HydrophobicContact CD2-CG2 4.09Å; L153-V176 HydrophobicContact CG-CG1 4.23Å; Q172-V176 PolarHBondContact O-N 3.25Å; R173-V176 WeakPolarHBondContact O-CB 3.32Å; R173-V176 PolarHBondContact O-N 3.2Å; R173-V176 VanDerWaalsContact O-N 3.12Å; V176-Y179 PolarHBondContact O-N 2.96Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 3.38Å
177I98.7Very high97.6Very high59 Ų5939 Ų3930%0.30317%0.174SC..Hα-helixtrans-64-44.5175.8-64.4164.9000111A149 R173 R174 Y179 N180 F181 L299A149-I177 HydrophobicContact CB-CB 4.39Å; A149-I177 HydrophobicContact CB-CG1 3.78Å; R173-I177 WeakPolarHBondContact O-CG1 3.4Å; R173-I177 PolarHBondContact O-N 2.56Å; R174-I177 CarbonylContact O-C 3.59Å; R174-I177 WeakPolarHBondContact O-CB 3.11Å; R174-I177 PolarHBondContact O-N 3.23Å; I177-Y179 VanDerWaalsContact C-N 3.35Å; I177-Y179 PolarHBondContact O-N 3.28Å; I177-N180 WeakPolarHBondContact O-CB 3.4Å; I177-N180 PolarHBondContact O-N 3.2Å; I177-F181 WeakPolarHBondContact O-CB 3.38Å; I177-F181 PolarHBondContact O-N 3.23Å; I177-L299 HydrophobicContact CG2-CD2 4.43Å
178Y98.7Very high97.4Very high16 Ų1645.9 Ų45.96%0.06321%0.206CC..Hα-helixtrans-57.6-46.4174.9-74.2-11.7000111.9L99 R174 Y175 F181 L182 N277 F280L99-Y178 HydrophobicContact CD1-CD2 4.45Å; R174-Y178 WeakPolarHBondContact CD-OH 3.18Å; R174-Y178 HydrophobicContact CG-CD1 4.22Å; R174-Y178 HydrophobicContact CG-CD2 4.29Å; R174-Y178 HydrophobicContact CG-CE1 3.76Å; R174-Y178 HydrophobicContact CG-CE2 3.82Å; R174-Y178 HydrophobicContact CG-CG 4.49Å; R174-Y178 WeakPolarHBondContact O-CB 3.46Å; R174-Y178 VanDerWaalsContact O-CG 3.28Å; R174-Y178 PolarHBondContact O-N 3.44Å; Y175-Y178 HydrophobicContact CD2-CD2 4.15Å; Y175-Y178 HydrophobicContact CD2-CE2 4.36Å; Y175-Y178 HydrophobicContact CE2-CD2 4.35Å; Y175-Y178 HydrophobicContact CE2-CE2 4.22Å; Y175-Y178 HydrophobicContact CG-CD2 4.35Å; Y178-F181 WeakPolarHBondContact O-CB 3.37Å; Y178-F181 PolarHBondContact O-N 2.69Å; Y178-L182 PolarHBondContact O-N 2.93Å; Y178-L182 VanDerWaalsContact O-N 3.08Å; Y178-N277 HydrophobicContact CD2-CB 4.21Å; Y178-N277 HydrophobicContact CE2-CB 3.81Å; Y178-F280 VanDerWaalsContact CB-CZ 3.48Å; Y178-F280 HydrophobicContact CD1-CB 3.97Å; Y178-F280 AromaticContact CD1-CD1 3.67Å; Y178-F280 HydrophobicContact CD1-CD1 3.67Å; Y178-F280 AromaticContact CD1-CD2 3.7Å; Y178-F280 HydrophobicContact CD1-CD2 3.7Å; Y178-F280 HydrophobicContact CD1-CE1 4.02Å; Y178-F280 HydrophobicContact CD1-CE2 4.05Å; Y178-F280 AromaticContact CD1-CG 3.49Å; Y178-F280 HydrophobicContact CD1-CG 3.49Å; Y178-F280 VanDerWaalsContact CD1-CG 3.49Å; Y178-F280 HydrophobicContact CD1-CZ 4.21Å; Y178-F280 AromaticContact CD2-CD2 3.72Å; Y178-F280 HydrophobicContact CD2-CD2 3.72Å; Y178-F280 AromaticContact CD2-CE2 3.73Å; Y178-F280 HydrophobicContact CD2-CE2 3.73Å; Y178-F280 HydrophobicContact CD2-CG 4.37Å; Y178-F280 HydrophobicContact CD2-CZ 4.39Å; Y178-F280 HydrophobicContact CE1-CB 3.46Å; Y178-F280 VanDerWaalsContact CE1-CB 3.46Å; Y178-F280 HydrophobicContact CE1-CD1 4.1Å; Y178-F280 AromaticContact CE1-CD2 3.79Å; Y178-F280 HydrophobicContact CE1-CD2 3.79Å; Y178-F280 AromaticContact CE1-CG 3.52Å; Y178-F280 HydrophobicContact CE1-CG 3.52Å; Y178-F280 AromaticContact CE2-CD2 3.83Å; Y178-F280 HydrophobicContact CE2-CD2 3.83Å; Y178-F280 HydrophobicContact CE2-CE2 4.28Å; Y178-F280 HydrophobicContact CE2-CG 4.41Å; Y178-F280 HydrophobicContact CG-CD1 4.14Å; Y178-F280 AromaticContact CG-CD2 3.63Å; Y178-F280 HydrophobicContact CG-CD2 3.63Å; Y178-F280 HydrophobicContact CG-CE1 4.08Å; Y178-F280 AromaticContact CG-CE2 3.57Å; Y178-F280 HydrophobicContact CG-CE2 3.57Å; Y178-F280 AromaticContact CG-CG 3.92Å; Y178-F280 HydrophobicContact CG-CG 3.92Å; Y178-F280 AromaticContact CG-CZ 3.82Å; Y178-F280 HydrophobicContact CG-CZ 3.82Å; Y178-F280 AromaticContact CZ-CD2 3.83Å; Y178-F280 AromaticContact CZ-CG 3.98Å; Y178-F280 WeakPolarHBondContact O-CE1 3.37Å
179Y98.8Very high97.4Very high8 Ų845.4 Ų45.43%0.03120%0.198CC..Hα-helixtrans-66.8-40.8178.1-167.6-117.9000112.4I102 K103 A138 H142 Y175 V176 I177 F181 L182 L183I102-Y179 HydrophobicContact CB-CD2 4.13Å; I102-Y179 HydrophobicContact CB-CE2 4.32Å; I102-Y179 HydrophobicContact CB-CG 4.45Å; I102-Y179 HydrophobicContact CG2-CD1 3.7Å; I102-Y179 HydrophobicContact CG2-CD2 3.64Å; I102-Y179 HydrophobicContact CG2-CE1 3.8Å; I102-Y179 HydrophobicContact CG2-CE2 3.81Å; I102-Y179 HydrophobicContact CG2-CG 3.58Å; K103-Y179 HydrophobicContact CB-CE2 4.07Å; A138-Y179 HydrophobicContact CB-CD1 3.69Å; A138-Y179 HydrophobicContact CB-CE1 4.09Å; A138-Y179 HydrophobicContact CB-CG 4.45Å; A138-Y179 WeakPolarHBondContact O-CE1 3.45Å; H142-Y179 HydrophobicContact CB-CE1 4.09Å; H142-Y179 AromaticContact ND1-CZ 3.85Å; H142-Y179 PolarHBondContact ND1-OH 3.04Å; Y175-Y179 PolarHBondContact O-N 2.71Å; V176-Y179 PolarHBondContact O-N 2.96Å; I177-Y179 VanDerWaalsContact C-N 3.35Å; I177-Y179 PolarHBondContact O-N 3.28Å; Y179-F181 VanDerWaalsContact C-N 3.27Å; Y179-F181 PolarHBondContact O-N 3.01Å; Y179-L182 HydrophobicContact CD2-CD1 4.43Å; Y179-L182 PolarHBondContact O-N 2.78Å; Y179-L183 HydrophobicContact CD1-CD1 3.87Å; Y179-L183 HydrophobicContact CD1-CG 4.43Å; Y179-L183 HydrophobicContact CE1-CD1 3.77Å; Y179-L183 HydrophobicContact CE1-CD2 4.5Å; Y179-L183 HydrophobicContact CE1-CG 4.28Å; Y179-L183 WeakPolarHBondContact O-CG 3.24Å; Y179-L183 PolarHBondContact O-N 2.85Å
180N98.4Very high97.2Very high12 Ų1248.9 Ų48.96%0.06421%0.212CC..Hα-helixtrans-57.1-42.6172.4-167.233000111.9L141 Q147 A149 V176 I177 L182 L183 R184L141-N180 HydrophobicContact CD1-CB 3.97Å; Q147-N180 PolarHBondContact O-ND2 2.78Å; Q147-N180 PolarHBondContact O-OD1 2.84Å; A149-N180 HydrophobicContact CB-CB 3.93Å; A149-N180 PolarHBondContact N-ND2 3.18Å; A149-N180 VanDerWaalsContact N-ND2 3.14Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 3.38Å; I177-N180 WeakPolarHBondContact O-CB 3.4Å; I177-N180 PolarHBondContact O-N 3.2Å; N180-L182 PolarHBondContact O-N 2.95Å; N180-L183 PolarHBondContact O-N 2.94Å; N180-R184 WeakPolarHBondContact O-CB 3.49Å; N180-R184 WeakPolarHBondContact O-CG 3.36Å; N180-R184 PolarHBondContact O-N 3.5Å
181F96.9Very high97Very high25 Ų2551.9 Ų51.911%0.1123%0.232CC..Hα-helixtrans-60.5-44.5177.6179.5-87.6000111.8I177 Y178 Y179 L183 N185 L187 F279 F280 F296I177-F181 WeakPolarHBondContact O-CB 3.38Å; I177-F181 PolarHBondContact O-N 3.23Å; Y178-F181 WeakPolarHBondContact O-CB 3.37Å; Y178-F181 PolarHBondContact O-N 2.69Å; Y179-F181 VanDerWaalsContact C-N 3.27Å; Y179-F181 PolarHBondContact O-N 3.01Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 2.96Å; F181-N185 VanDerWaalsContact CD2-ND2 3.33Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.42Å; F181-N185 VanDerWaalsContact CE2-ND2 3.33Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.1Å; F181-N185 WeakPolarHBondContact O-CB 3.48Å; F181-N185 PolarHBondContact O-N 2.9Å; F181-N185 VanDerWaalsContact O-N 3.13Å; F181-N185 PolarHBondContact O-ND2 2.71Å; F181-L187 HydrophobicContact CD1-CD1 4.21Å; F181-L187 HydrophobicContact CE1-CD1 3.55Å; F181-L187 HydrophobicContact CZ-CD1 4.32Å; F181-F279 HydrophobicContact CE1-CE1 4.49Å; F181-F280 HydrophobicContact CB-CE1 4.2Å; F181-F280 AromaticContact CD1-CD1 3.89Å; F181-F280 HydrophobicContact CD1-CD1 3.89Å; F181-F280 AromaticContact CD1-CE1 3.64Å; F181-F280 HydrophobicContact CD1-CE1 3.64Å; F181-F280 HydrophobicContact CE1-CD1 4.36Å; F181-F280 HydrophobicContact CE1-CE1 4.4Å; F181-F280 HydrophobicContact CG-CD1 4.36Å; F181-F280 HydrophobicContact CG-CE1 4.21Å; F181-F296 HydrophobicContact CD2-CD2 4.12Å; F181-F296 AromaticContact CD2-CE2 4Å; F181-F296 HydrophobicContact CD2-CE2 4Å; F181-F296 AromaticContact CE2-CD2 3.63Å; F181-F296 HydrophobicContact CE2-CD2 3.63Å; F181-F296 AromaticContact CE2-CE2 3.98Å; F181-F296 HydrophobicContact CE2-CE2 3.98Å; F181-F296 AromaticContact CZ-CD2 3.93Å; F181-F296 HydrophobicContact CZ-CD2 3.93Å
182L97.6Very high96.8Very high14 Ų1454 Ų547%0.07324%0.244CC..Hα-helixtrans-59.7-44.9175.5-66.1175.2000111.4L99 Y178 Y179 N180 R186 L187 F279 F280L99-L182 HydrophobicContact CD2-CD1 4.39Å; Y178-L182 PolarHBondContact O-N 2.93Å; Y178-L182 VanDerWaalsContact O-N 3.08Å; Y179-L182 HydrophobicContact CD2-CD1 4.43Å; Y179-L182 PolarHBondContact O-N 2.78Å; N180-L182 PolarHBondContact O-N 2.95Å; L182-R186 WeakPolarHBondContact O-CA 3.33Å; L182-R186 PolarHBondContact O-N 3.04Å; L182-L187 HydrophobicContact CD2-CB 3.89Å; L182-L187 PolarHBondContact O-N 3.42Å; L182-F279 HydrophobicContact CD2-CD1 4.29Å; L182-F279 HydrophobicContact CD2-CE1 3.57Å; L182-F279 HydrophobicContact CD2-CZ 3.97Å; L182-F280 HydrophobicContact CD1-CZ 4.25Å; L182-F280 HydrophobicContact CD2-CE1 4.27Å; L182-F280 HydrophobicContact CD2-CZ 4.12Å; L182-F280 HydrophobicContact CG-CE1 4.25Å; L182-F280 HydrophobicContact CG-CZ 3.99Å
183L97.4Very high96.7Very high56 Ų5656.1 Ų56.129%0.29326%0.262SS..Hα-helixtrans-63.8-51.6179.6-67.4171.4000112.2L141 H142 Y179 N180 F181 N185 R186L141-L183 HydrophobicContact CB-CD1 3.87Å; H142-L183 HydrophobicContact CB-CD1 4.44Å; Y179-L183 HydrophobicContact CD1-CD1 3.87Å; Y179-L183 HydrophobicContact CD1-CG 4.43Å; Y179-L183 HydrophobicContact CE1-CD1 3.77Å; Y179-L183 HydrophobicContact CE1-CD2 4.5Å; Y179-L183 HydrophobicContact CE1-CG 4.28Å; Y179-L183 WeakPolarHBondContact O-CG 3.24Å; Y179-L183 PolarHBondContact O-N 2.85Å; N180-L183 PolarHBondContact O-N 2.94Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 2.96Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.06Å; L183-R186 PolarHBondContact O-N 2.98Å; L183-R186 VanDerWaalsContact O-N 3.14Å
184R95.8Very high96.6Very high143 Ų14353.6 Ų53.654%0.5425%0.253SS..Hα-helixtrans-61.6-37.7-177.2-74.4-173.463.8176.77112.8E148 N180E148-R184 IonicContact OE1-CZ 2.97Å; E148-R184 IonicContact OE1-NH1 3.79Å; E148-R184 PolarHBondContact OE1-NH1 2.72Å; E148-R184 IonicContact OE1-NH2 3.59Å; E148-R184 IonicContact OE2-CZ 3.24Å; E148-R184 IonicContact OE2-NH1 2.95Å; E148-R184 PolarHBondContact OE2-NH1 3.19Å; N180-R184 WeakPolarHBondContact O-CB 3.49Å; N180-R184 WeakPolarHBondContact O-CG 3.36Å; N180-R184 PolarHBondContact O-N 3.5Å
185N94.8Very high96.6Very high58 Ų5855 Ų5531%0.3126%0.261SS..THydrogen-bonded Turntrans-93.61.6-179.4-61.5-72.7000113F181 L183 L187F181-N185 VanDerWaalsContact CD2-ND2 3.33Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.42Å; F181-N185 VanDerWaalsContact CE2-ND2 3.33Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.1Å; F181-N185 WeakPolarHBondContact O-CB 3.48Å; F181-N185 PolarHBondContact O-N 2.9Å; F181-N185 VanDerWaalsContact O-N 3.13Å; F181-N185 PolarHBondContact O-ND2 2.71Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.06Å; N185-L187 HydrophobicContact CB-CD1 3.73Å; N185-L187 HydrophobicContact CB-CG 3.69Å; N185-L187 PolarHBondContact O-N 3.11Å
186R95.6Very high96.5Very high227 Ų22755 Ų5586%0.85726%0.261SS*.THydrogen-bonded Turntrans52.740.2-178.2-55.2179.4-179.4175.7-0.2112.8L182 L183L182-R186 WeakPolarHBondContact O-CA 3.33Å; L182-R186 PolarHBondContact O-N 3.04Å; L183-R186 PolarHBondContact O-N 2.98Å; L183-R186 VanDerWaalsContact O-N 3.14Å
187L94.1Very high96.4Very high25 Ų2556.9 Ų56.913%0.13127%0.27CS..PPolyproline II helixtrans-93.1140.3-177.8-62.3174.2000110.8F181 L182 N185 F279F181-L187 HydrophobicContact CD1-CD1 4.21Å; F181-L187 HydrophobicContact CE1-CD1 3.55Å; F181-L187 HydrophobicContact CZ-CD1 4.32Å; L182-L187 HydrophobicContact CD2-CB 3.89Å; L182-L187 PolarHBondContact O-N 3.42Å; N185-L187 HydrophobicContact CB-CD1 3.73Å; N185-L187 HydrophobicContact CB-CG 3.69Å; N185-L187 PolarHBondContact O-N 3.11Å; L187-F279 HydrophobicContact CB-CZ 4.41Å; L187-F279 HydrophobicContact CD1-CE1 4.32Å; L187-F279 HydrophobicContact CD1-CZ 4.19Å
188H93.5Very high96.3Very high147 Ų14755.9 Ų55.968%0.68126%0.264SS*.PPolyproline II helixtrans-89.7132164.6-64.2111.2000109.1K190H188-K190 PolarHBondContact O-N 2.79Å
189Y96Very high96.3Very high48 Ų4855.1 Ų55.119%0.18826%0.261CS..PPolyproline II helixtrans-65.1136.3175176.9-107.9000110.6L99 E100 P191 G252 N277 F279L99-Y189 HydrophobicContact CD2-CD1 4.37Å; L99-Y189 HydrophobicContact CD2-CD2 3.28Å; L99-Y189 HydrophobicContact CD2-CE1 4.44Å; L99-Y189 HydrophobicContact CD2-CE2 3.35Å; L99-Y189 HydrophobicContact CD2-CG 3.79Å; E100-Y189 HydrophobicContact CG-CD1 3.44Å; E100-Y189 VanDerWaalsContact CG-CD1 3.44Å; E100-Y189 HydrophobicContact CG-CE1 3.48Å; E100-Y189 VanDerWaalsContact CG-CE1 3.48Å; E100-Y189 WeakPolarHBondContact OE1-CE1 3.37Å; Y189-P191 HydrophobicContact CE1-CG 4.29Å; Y189-G252 WeakPolarHBondContact OH-CA 3.42Å; Y189-N277 WeakPolarHBondContact CE2-OD1 3.45Å; Y189-N277 PolarHBondContact OH-ND2 2.78Å; Y189-N277 PolarHBondContact OH-OD1 2.64Å; Y189-F279 HydrophobicContact CD2-CB 4.01Å; Y189-F279 HydrophobicContact CD2-CD1 4.44Å; Y189-F279 HydrophobicContact CD2-CD2 4.04Å; Y189-F279 AromaticContact CD2-CG 3.92Å; Y189-F279 HydrophobicContact CD2-CG 3.92Å; Y189-F279 HydrophobicContact CE2-CB 3.58Å; Y189-F279 HydrophobicContact CE2-CD2 4.29Å; Y189-F279 HydrophobicContact CE2-CG 4.01Å
190K93.8Very high96.2Very high98 Ų9856.1 Ų56.143%0.42627%0.266SS..  trans-135.8143.7164.560.4177.3-179.7172.40109.2H188 V192 F279H188-K190 PolarHBondContact O-N 2.79Å; K190-V192 PolarHBondContact O-N 3.39Å; K190-F279 HydrophobicContact CG-CD2 4.4Å; K190-F279 HydrophobicContact CG-CE2 4.23Å; K190-F279 VanDerWaalsContact O-CD2 3.3Å; K190-F279 WeakPolarHBondContact O-CD2 3.28Å
191P93.9Very high96.2Very high77 Ų7755.6 Ų55.650%0.526%0.263SS..  trans-60.3133.8173.3-2233.1000111.1Y189 C251Y189-P191 HydrophobicContact CE1-CG 4.29Å; P191-C251 WeakPolarHBondContact CB-SG 3.46Å
192V95.2Very high96.1Very high44 Ų4456.7 Ų56.727%0.26727%0.269SS..  trans-114.9114.1178.8177.60000109.1K190 L194 T278 F279K190-V192 PolarHBondContact O-N 3.39Å; V192-L194 HydrophobicContact CG1-CD2 3.98Å; V192-L194 HydrophobicContact CG1-CG 4.2Å; V192-T278 WeakPolarHBondContact O-CB 3.25Å; V192-T278 PolarHBondContact O-OG1 3.39Å; V192-F279 HydrophobicContact CG2-CB 4.18Å; V192-F279 HydrophobicContact CG2-CD2 3.82Å; V192-F279 HydrophobicContact CG2-CG 4.41Å
193A96.6Very high96Very high47 Ų4756.8 Ų56.839%0.38827%0.27SS..EExtended strand (participates in β ladder)trans-81.3123.5179.100000111.2T358A193-T358 HydrophobicContact CB-CG2 4.23Å; A193-T358 PolarHBondContact O-N 3.41Å; A193-T358 PolarHBondContact O-OG1 2.94Å
194L96.7Very high96Very high3 Ų355.1 Ų55.12%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-126.4160.7178.2-59.1177.5000110.7V192 V250 T278 I281 L324 F355 T356 K357V192-L194 HydrophobicContact CG1-CD2 3.98Å; V192-L194 HydrophobicContact CG1-CG 4.2Å; L194-V250 HydrophobicContact CB-CG2 4.1Å; L194-V250 PolarHBondContact N-O 3.38Å; L194-V250 WeakPolarHBondContact O-CG2 3.24Å; L194-V250 PolarHBondContact O-N 2.92Å; L194-T278 HydrophobicContact CD1-CG2 4.29Å; L194-I281 HydrophobicContact CD1-CB 4.03Å; L194-I281 HydrophobicContact CD1-CD1 3.56Å; L194-I281 HydrophobicContact CD1-CG1 4.33Å; L194-I281 HydrophobicContact CD1-CG2 4.29Å; L194-L324 HydrophobicContact CD1-CD1 4.3Å; L194-L324 HydrophobicContact CD2-CD1 3.79Å; L194-F355 HydrophobicContact CB-CB 4.3Å; L194-F355 HydrophobicContact CB-CD1 4.28Å; L194-F355 HydrophobicContact CD1-CB 4.1Å; L194-F355 HydrophobicContact CD1-CD1 4.3Å; L194-F355 HydrophobicContact CD1-CG 4.25Å; L194-T356 WeakPolarHBondContact CA-O 3.46Å; L194-K357 HydrophobicContact CD2-CG 4.27Å
195L97.5Very high96.1Very high47 Ų4748.3 Ų48.325%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-100.8124166.5-62.3178.1000108.6H197 P247 P249 F355 T356 T358L195-H197 PolarHBondContact O-CD2 2.71Å; L195-P247 HydrophobicContact CB-CB 3.81Å; L195-P247 HydrophobicContact CD1-CB 4.3Å; L195-P247 HydrophobicContact CD2-CB 4.47Å; L195-P247 HydrophobicContact CG-CB 4.42Å; L195-P249 HydrophobicContact CD2-CB 4.39Å; L195-P249 HydrophobicContact CD2-CG 4.22Å; L195-F355 CarbonylContact O-C 3.53Å; L195-F355 WeakPolarHBondContact O-CA 3.35Å; L195-T356 PolarHBondContact N-O 3.34Å; L195-T356 PolarHBondContact O-N 2.7Å; L195-T358 HydrophobicContact CD2-CG2 4.12Å; L195-T358 HydrophobicContact CG-CG2 3.99Å
196F97.8Very high96.1Very high0 Ų049.1 Ų49.10%024%0.238CC..EExtended strand (participates in β ladder)trans-96.9116.6178.9-170.5-171.6000109.5K198 M199 F244 L248 V250 V256 L353 F354 F355F196-K198 WeakPolarHBondContact CE2-O 3.35Å; F196-M199 HydrophobicContact CE1-CG 4.44Å; F196-M199 HydrophobicContact CE1-SD 4.32Å; F196-M199 HydrophobicContact CE2-CG 3.73Å; F196-M199 HydrophobicContact CZ-CG 3.39Å; F196-M199 HydrophobicContact CZ-SD 3.69Å; F196-F244 HydrophobicContact CB-CE2 4.21Å; F196-F244 AromaticContact CD1-CE2 3.73Å; F196-F244 HydrophobicContact CD1-CE2 3.73Å; F196-F244 AromaticContact CD1-CZ 3.83Å; F196-F244 HydrophobicContact CD1-CZ 3.83Å; F196-F244 AromaticContact CD2-CE2 3.87Å; F196-F244 HydrophobicContact CD2-CE2 3.87Å; F196-F244 HydrophobicContact CE1-CE2 4.03Å; F196-F244 AromaticContact CE1-CZ 3.96Å; F196-F244 HydrophobicContact CE1-CZ 3.96Å; F196-F244 HydrophobicContact CE2-CE2 4.16Å; F196-F244 HydrophobicContact CG-CD2 4.5Å; F196-F244 AromaticContact CG-CE2 3.64Å; F196-F244 HydrophobicContact CG-CE2 3.64Å; F196-F244 HydrophobicContact CG-CZ 4.22Å; F196-F244 HydrophobicContact CZ-CE2 4.23Å; F196-F244 HydrophobicContact CZ-CZ 4.45Å; F196-F244 WeakPolarHBondContact O-CD2 3.24Å; F196-L248 HydrophobicContact CB-CB 4.28Å; F196-L248 WeakPolarHBondContact CB-O 3.03Å; F196-L248 PolarHBondContact N-O 2.84Å; F196-L248 PolarHBondContact O-N 2.71Å; F196-V250 HydrophobicContact CB-CG1 4.14Å; F196-V250 HydrophobicContact CB-CG2 4Å; F196-V250 HydrophobicContact CD1-CG1 4.35Å; F196-V256 HydrophobicContact CE1-CG2 4.21Å; F196-L353 HydrophobicContact CE2-CB 3.93Å; F196-L353 HydrophobicContact CE2-CD2 4.4Å; F196-L353 HydrophobicContact CZ-CB 4.21Å; F196-L353 HydrophobicContact CZ-CD2 3.97Å; F196-F354 WeakPolarHBondContact CD2-O 3.32Å; F196-F355 HydrophobicContact CB-CD1 3.65Å; F196-F355 HydrophobicContact CB-CE1 3.59Å; F196-F355 AromaticContact CD1-CE1 3.77Å; F196-F355 HydrophobicContact CD1-CE1 3.77Å; F196-F355 HydrophobicContact CD1-CZ 4.28Å; F196-F355 AromaticContact CD2-CD1 3.73Å; F196-F355 HydrophobicContact CD2-CD1 3.73Å; F196-F355 AromaticContact CD2-CE1 3.35Å; F196-F355 HydrophobicContact CD2-CE1 3.35Å; F196-F355 HydrophobicContact CD2-CE2 4.32Å; F196-F355 HydrophobicContact CD2-CG 4.35Å; F196-F355 AromaticContact CD2-CZ 3.68Å; F196-F355 HydrophobicContact CD2-CZ 3.68Å; F196-F355 HydrophobicContact CE1-CE1 4.25Å; F196-F355 HydrophobicContact CE1-CZ 4.3Å; F196-F355 AromaticContact CE2-CE1 3.88Å; F196-F355 HydrophobicContact CE2-CE1 3.88Å; F196-F355 HydrophobicContact CE2-CE2 4.27Å; F196-F355 AromaticContact CE2-CZ 3.71Å; F196-F355 HydrophobicContact CE2-CZ 3.71Å; F196-F355 AromaticContact CG-CD1 3.79Å; F196-F355 HydrophobicContact CG-CD1 3.79Å; F196-F355 AromaticContact CG-CE1 3.29Å; F196-F355 HydrophobicContact CG-CE1 3.29Å; F196-F355 AromaticContact CG-CZ 3.99Å; F196-F355 HydrophobicContact CG-CZ 3.99Å; F196-F355 HydrophobicContact CZ-CE1 4.3Å; F196-F355 HydrophobicContact CZ-CZ 4.03Å
197H97Very high96Very high41 Ų4139.4 Ų39.419%0.1920%0.202CC..EExtended strand (participates in β ladder)trans-99.8-45.7-166.9-70.9-101.3000113.9L195 F244 P247 F323 F354 T356L195-H197 PolarHBondContact O-CD2 2.71Å; H197-F244 VanDerWaalsContact C-CD2 3.49Å; H197-F244 VanDerWaalsContact O-CD2 3.27Å; H197-F244 WeakPolarHBondContact O-CD2 2.76Å; H197-F244 PolarHBondContact O-N 3.35Å; H197-F244 VanDerWaalsContact O-N 3.08Å; H197-P247 WeakPolarHBondContact CE1-CG 3.12Å; H197-P247 WeakPolarHBondContact ND1-CG 3.33Å; H197-F323 HydrophobicContact CB-CE1 3.79Å; H197-F323 HydrophobicContact CB-CZ 4.4Å; H197-F323 AromaticContact CD2-CE1 3.63Å; H197-F323 AromaticContact CG-CE1 3.51Å; H197-F323 AromaticContact ND1-CE1 3.86Å; H197-F354 PolarHBondContact N-O 3.03Å; H197-T356 VanDerWaalsContact NE2-CG2 3.34Å; H197-T356 WeakPolarHBondContact NE2-CG2 3.48Å; H197-T356 PolarHBondContact NE2-OG1 2.83Å
198K96.9Very high96Very high38 Ų3841.4 Ų41.417%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-160.9161.6-174.163.5-165.8-173.8-178.20112.1F196 L241 F242 E243 D320 F354F196-K198 WeakPolarHBondContact CE2-O 3.35Å; K198-L241 HydrophobicContact CB-CD1 4.22Å; K198-L241 HydrophobicContact CD-CD1 4.08Å; K198-L241 HydrophobicContact CG-CD1 4.31Å; K198-F242 CarbonylContact C-O 3.51Å; K198-F242 WeakPolarHBondContact CA-O 3.49Å; K198-F242 WeakPolarHBondContact CB-O 3.35Å; K198-E243 HydrophobicContact CB-CG 3.82Å; K198-D320 IonicContact NZ-OD1 3.13Å; K198-F354 HydrophobicContact CD-CD2 4.4Å; K198-F354 HydrophobicContact CD-CG 4.38Å; K198-F354 HydrophobicContact CG-CB 3.77Å; K198-F354 HydrophobicContact CG-CD2 3.63Å; K198-F354 HydrophobicContact CG-CE2 4.38Å; K198-F354 HydrophobicContact CG-CG 3.79Å; K198-F354 PolarHBondContact O-N 3.17Å
199M98.1Very high95.8Very high0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.9144.4169.2-59.7179.8-82.600110.2F196 F216 F242 F244 V256 F258 K352 L353F196-M199 HydrophobicContact CE1-CG 4.44Å; F196-M199 HydrophobicContact CE1-SD 4.32Å; F196-M199 HydrophobicContact CE2-CG 3.73Å; F196-M199 HydrophobicContact CZ-CG 3.39Å; F196-M199 HydrophobicContact CZ-SD 3.69Å; M199-F216 HydrophobicContact CE-CD1 4.05Å; M199-F216 HydrophobicContact CE-CD2 3.6Å; M199-F216 HydrophobicContact CE-CE1 3.86Å; M199-F216 HydrophobicContact CE-CE2 3.37Å; M199-F216 HydrophobicContact CE-CG 3.94Å; M199-F216 HydrophobicContact CE-CZ 3.54Å; M199-F242 HydrophobicContact CB-CB 4.3Å; M199-F242 HydrophobicContact CB-CD2 4.33Å; M199-F242 HydrophobicContact CE-CB 4.42Å; M199-F242 PolarHBondContact N-O 3.1Å; M199-F242 PolarHBondContact O-N 2.99Å; M199-F244 HydrophobicContact CE-CZ 4.26Å; M199-V256 HydrophobicContact CE-CG1 4.2Å; M199-V256 HydrophobicContact SD-CG1 3.9Å; M199-F258 HydrophobicContact CE-CE2 4.25Å; M199-F258 HydrophobicContact CE-CZ 3.72Å; M199-F258 HydrophobicContact SD-CE2 3.96Å; M199-F258 HydrophobicContact SD-CZ 3.83Å; M199-K352 CarbonylContact C-O 3.54Å; M199-K352 WeakPolarHBondContact CA-O 3.11Å; M199-L353 HydrophobicContact CB-CD2 4.29Å; M199-L353 HydrophobicContact CG-CD2 3.62Å; M199-L353 HydrophobicContact SD-CD2 3.87Å
200L97.6Very high95.5Very high29 Ų2939.5 Ų39.515%0.15224%0.24CC..EExtended strand (participates in β ladder)trans-128.1127.2179.4178.768.9000110.6L239 M240 L241 V351 K352 F354L200-L239 HydrophobicContact CD1-CB 4.05Å; L200-L239 HydrophobicContact CD1-CD2 4.48Å; L200-M240 CarbonylContact C-O 3.58Å; L200-M240 WeakPolarHBondContact CA-O 3.39Å; L200-L241 HydrophobicContact CB-CD1 4.4Å; L200-L241 HydrophobicContact CD1-CB 4.3Å; L200-L241 HydrophobicContact CD1-CD1 4.19Å; L200-V351 CarbonylContact O-C 3.59Å; L200-V351 WeakPolarHBondContact O-CA 3.35Å; L200-K352 HydrophobicContact CB-CB 4.28Å; L200-K352 HydrophobicContact CD2-CD 4.47Å; L200-K352 PolarHBondContact N-O 3.23Å; L200-K352 PolarHBondContact O-N 2.67Å; L200-F354 HydrophobicContact CB-CE2 3.88Å
201F98Very high95.4Very high0 Ų036.7 Ų36.70%023%0.231CC..EExtended strand (participates in β ladder)trans-90.5128.5165.5-67.1-2.2000109.6P205 L239 M240 F242 F258 F272 F349 K350 V351F201-P205 HydrophobicContact CD2-CG 4.05Å; F201-P205 HydrophobicContact CE2-CG 4.1Å; F201-L239 VanDerWaalsContact O-CA 3.31Å; F201-L239 WeakPolarHBondContact O-CA 3.38Å; F201-L239 WeakPolarHBondContact O-CD2 3.08Å; F201-M240 HydrophobicContact CB-CB 4.16Å; F201-M240 HydrophobicContact CD2-CB 4.22Å; F201-M240 HydrophobicContact CG-CB 4.45Å; F201-M240 PolarHBondContact N-O 3.07Å; F201-M240 PolarHBondContact O-N 2.86Å; F201-F242 HydrophobicContact CD1-CD2 4.48Å; F201-F242 AromaticContact CD1-CE2 3.84Å; F201-F242 HydrophobicContact CD1-CE2 3.84Å; F201-F242 AromaticContact CD2-CE2 3.67Å; F201-F242 HydrophobicContact CD2-CE2 3.67Å; F201-F242 AromaticContact CD2-CZ 4Å; F201-F242 HydrophobicContact CD2-CZ 4Å; F201-F242 HydrophobicContact CE1-CD2 4.37Å; F201-F242 AromaticContact CE1-CE2 3.76Å; F201-F242 HydrophobicContact CE1-CE2 3.76Å; F201-F242 AromaticContact CE2-CE2 3.6Å; F201-F242 HydrophobicContact CE2-CE2 3.6Å; F201-F242 AromaticContact CE2-CZ 3.7Å; F201-F242 HydrophobicContact CE2-CZ 3.7Å; F201-F242 AromaticContact CG-CE2 3.79Å; F201-F242 HydrophobicContact CG-CE2 3.79Å; F201-F242 AromaticContact CZ-CE2 3.65Å; F201-F242 HydrophobicContact CZ-CE2 3.65Å; F201-F242 HydrophobicContact CZ-CZ 4.02Å; F201-F258 AromaticContact CE1-CE1 3.96Å; F201-F258 HydrophobicContact CE1-CE1 3.96Å; F201-F258 HydrophobicContact CE1-CE2 4.18Å; F201-F258 AromaticContact CE1-CZ 3.77Å; F201-F258 HydrophobicContact CE1-CZ 3.77Å; F201-F258 HydrophobicContact CE2-CD1 4.35Å; F201-F258 HydrophobicContact CE2-CE1 4.25Å; F201-F258 AromaticContact CZ-CD1 3.61Å; F201-F258 HydrophobicContact CZ-CD1 3.61Å; F201-F258 HydrophobicContact CZ-CD2 4.33Å; F201-F258 AromaticContact CZ-CE1 3.37Å; F201-F258 HydrophobicContact CZ-CE1 3.37Å; F201-F258 HydrophobicContact CZ-CE2 4.13Å; F201-F258 HydrophobicContact CZ-CG 4.09Å; F201-F258 AromaticContact CZ-CZ 3.66Å; F201-F258 HydrophobicContact CZ-CZ 3.66Å; F201-F272 HydrophobicContact CE1-CE1 4.36Å; F201-F272 AromaticContact CE1-CZ 3.69Å; F201-F272 HydrophobicContact CE1-CZ 3.69Å; F201-F272 HydrophobicContact CE2-CE1 4.32Å; F201-F272 HydrophobicContact CE2-CZ 4.42Å; F201-F272 AromaticContact CZ-CE1 3.77Å; F201-F272 HydrophobicContact CZ-CE1 3.77Å; F201-F272 AromaticContact CZ-CZ 3.48Å; F201-F272 HydrophobicContact CZ-CZ 3.48Å; F201-F272 VanDerWaalsContact CZ-CZ 3.48Å; F201-F349 HydrophobicContact CB-CE2 3.93Å; F201-F349 HydrophobicContact CD1-CE2 4.26Å; F201-F349 HydrophobicContact CD1-CZ 4.01Å; F201-F349 AromaticContact CD2-CE2 3.86Å; F201-F349 HydrophobicContact CD2-CE2 3.86Å; F201-F349 HydrophobicContact CD2-CZ 4Å; F201-F349 HydrophobicContact CE1-CZ 4.19Å; F201-F349 HydrophobicContact CE2-CE2 4.43Å; F201-F349 HydrophobicContact CE2-CZ 4.16Å; F201-F349 AromaticContact CG-CE2 3.76Å; F201-F349 HydrophobicContact CG-CE2 3.76Å; F201-F349 AromaticContact CG-CZ 3.93Å; F201-F349 HydrophobicContact CG-CZ 3.93Å; F201-F349 HydrophobicContact CZ-CZ 4.24Å; F201-K350 WeakPolarHBondContact CA-O 3.45Å; F201-V351 HydrophobicContact CD1-CB 4.35Å; F201-V351 HydrophobicContact CD1-CG1 4.06Å; F201-V351 HydrophobicContact CD1-CG2 3.76Å; F201-V351 HydrophobicContact CE1-CB 4.39Å; F201-V351 HydrophobicContact CE1-CG1 3.91Å; F201-V351 HydrophobicContact CE1-CG2 3.66Å
202E93.9Very high95.4Very high49 Ų4933.7 Ų33.723%0.22921%0.212CC..SBendtrans-80.4-19.9177.4-71.9-164.2161.700113.8K238 K350 K352E202-K238 CarbonylContact C-O 3.51Å; E202-K350 HydrophobicContact CB-CB 4.34Å; E202-K350 HydrophobicContact CG-CB 4.2Å; E202-K350 PolarHBondContact N-O 3.1Å; E202-K350 VanDerWaalsContact N-O 3.14Å; E202-K350 VanDerWaalsContact OE2-CD 3.27Å; E202-K350 WeakPolarHBondContact OE2-CD 3.42Å; E202-K350 IonicContact OE2-NZ 2.93Å; E202-K350 PolarHBondContact OE2-NZ 2.76Å; E202-K352 WeakPolarHBondContact OE1-CE 3.37Å; E202-K352 IonicContact OE1-NZ 3.98Å; E202-K352 PolarHBondContact OE1-NZ 2.8Å
203T96.3Very high95.3Very high16 Ų1633.9 Ų33.910%0.09821%0.211CC..SBendtrans-138.3159.9171.556.10000110.5P205 K238 N348 F349T203-P205 WeakPolarHBondContact O-CD 3.44Å; T203-K238 CarbonylContact C-O 3.59Å; T203-K238 VanDerWaalsContact C-O 3.32Å; T203-K238 WeakPolarHBondContact CA-O 3.33Å; T203-N348 WeakPolarHBondContact CG2-OD1 3.27Å; T203-F349 WeakPolarHBondContact O-CD2 3.19Å; T203-F349 WeakPolarHBondContact O-CE2 3.42Å; T203-F349 WeakPolarHBondContact OG1-CA 3.42Å; T203-F349 WeakPolarHBondContact OG1-CD2 3.39Å
204I96.6Very high95.2Very high20 Ų2031.8 Ų31.810%0.10319%0.194CC..  trans-85.5122.9-178.1-48.8-60.3000110.6R235 K238 M240I204-R235 HydrophobicContact CD1-CG 4.35Å; I204-K238 VanDerWaalsContact CD1-C 3.46Å; I204-K238 WeakPolarHBondContact CD1-O 3.42Å; I204-K238 PolarHBondContact N-O 3.1Å; I204-M240 HydrophobicContact CD1-CG 3.36Å; I204-M240 HydrophobicContact CD1-SD 4.03Å; I204-M240 HydrophobicContact CG2-SD 4.32Å
205P97.1Very high95.1Very high0 Ų033.3 Ų33.30%020%0.201CC..  trans-63.6144169.3-23.334.8000112.7F201 T203 F207 T211 C212 M271 N344 F345 F349F201-P205 HydrophobicContact CD2-CG 4.05Å; F201-P205 HydrophobicContact CE2-CG 4.1Å; T203-P205 WeakPolarHBondContact O-CD 3.44Å; P205-F207 HydrophobicContact CB-CD2 3.89Å; P205-F207 HydrophobicContact CB-CE2 3.93Å; P205-T211 CarbonylContact O-C 3.46Å; P205-T211 WeakPolarHBondContact O-CA 3.48Å; P205-C212 HydrophobicContact CB-CB 4.28Å; P205-C212 WeakPolarHBondContact O-CB 3.32Å; P205-C212 PolarHBondContact O-N 2.85Å; P205-M271 HydrophobicContact CB-CE 3.54Å; P205-M271 HydrophobicContact CG-CE 3.62Å; P205-N344 CarbonylContact C-O 3.53Å; P205-N344 WeakPolarHBondContact CA-O 3.5Å; P205-F345 HydrophobicContact CB-CD1 3.94Å; P205-F345 HydrophobicContact CB-CE1 3.8Å; P205-F345 HydrophobicContact CG-CD1 4.04Å; P205-F345 HydrophobicContact CG-CE1 3.92Å; P205-F349 HydrophobicContact CG-CD2 4.36Å; P205-F349 HydrophobicContact CG-CE2 3.66Å; P205-F349 HydrophobicContact CG-CZ 4.01Å
206M95.8Very high95.1Very high75 Ų7531.3 Ų31.337%0.36919%0.19SC..  trans-111.655.8-166.7-61.2-179.4-71.100113T211 N344M206-T211 CarbonylContact C-O 3.54Å; M206-N344 PolarHBondContact N-O 2.64Å
207F94.3Very high95.2Very high23 Ų2332 Ų3210%0.10119%0.194CC..SBendtrans-80.9-28.5-176.7-79.6-100.8000114.5P205 T211 C212 H260 E269 M271 N344 F345P205-F207 HydrophobicContact CB-CD2 3.89Å; P205-F207 HydrophobicContact CB-CE2 3.93Å; F207-T211 PolarHBondContact N-O 2.86Å; F207-C212 HydrophobicContact CB-CB 4.24Å; F207-C212 HydrophobicContact CD2-CB 4.25Å; F207-H260 HydrophobicContact CB-CB 4.09Å; F207-H260 HydrophobicContact CD1-CB 3.93Å; F207-H260 HydrophobicContact CG-CB 3.95Å; F207-E269 HydrophobicContact CD1-CG 4.39Å; F207-E269 HydrophobicContact CE1-CG 4.31Å; F207-M271 HydrophobicContact CD1-CG 4.43Å; F207-M271 HydrophobicContact CD2-CE 3.99Å; F207-M271 HydrophobicContact CD2-CG 4.17Å; F207-M271 HydrophobicContact CE1-CB 4.42Å; F207-M271 HydrophobicContact CE1-CG 3.98Å; F207-M271 HydrophobicContact CE2-CB 4.03Å; F207-M271 HydrophobicContact CE2-CE 3.78Å; F207-M271 HydrophobicContact CE2-CG 3.7Å; F207-M271 HydrophobicContact CE2-SD 4.48Å; F207-M271 HydrophobicContact CZ-CB 3.75Å; F207-M271 HydrophobicContact CZ-CG 3.61Å; F207-N344 HydrophobicContact CD2-CB 4.44Å; F207-N344 HydrophobicContact CE2-CB 3.95Å; F207-N344 HydrophobicContact CZ-CB 4.01Å; F207-F345 AromaticContact CE2-CE1 3.89Å; F207-F345 HydrophobicContact CE2-CE1 3.89Å; F207-F345 AromaticContact CE2-CE2 3.94Å; F207-F345 HydrophobicContact CE2-CE2 3.94Å; F207-F345 AromaticContact CE2-CZ 3.45Å; F207-F345 HydrophobicContact CE2-CZ 3.45Å; F207-F345 VanDerWaalsContact CE2-CZ 3.45Å; F207-F345 HydrophobicContact CZ-CE1 4.44Å; F207-F345 AromaticContact CZ-CE2 3.82Å; F207-F345 HydrophobicContact CZ-CE2 3.82Å; F207-F345 AromaticContact CZ-CZ 3.56Å; F207-F345 HydrophobicContact CZ-CZ 3.56Å
208T92.6Very high95.2Very high68 Ų6830 Ų3042%0.41719%0.185SC..BIsolated β-bridgetrans-147.3123.2177-67.50000109.4G210 T211 H260T208-G210 VanDerWaalsContact C-N 3.27Å; T208-G210 PolarHBondContact O-N 3.04Å; T208-T211 PolarHBondContact N-O 3.36Å; T208-T211 CarbonylContact O-C 3.52Å; T208-T211 WeakPolarHBondContact O-CG2 3.32Å; T208-T211 PolarHBondContact O-N 3.11Å; T208-T211 VanDerWaalsContact O-O 3.08Å; T208-H260 PolarHBondContact OG1-NE2 3.09Å; T208-H260 VanDerWaalsContact OG1-NE2 3.09Å
209A89.4Confident95.3Very high106 Ų10630.4 Ų30.488%0.87619%0.186SC*.THydrogen-bonded Turntrans49.843178.400000113.8T211A209-T211 VanDerWaalsContact C-N 3.26Å; A209-T211 PolarHBondContact O-N 2.92Å
210G89.7Confident95.2Very high48 Ų4833.1 Ų33.150%0.49520%0.198SC..THydrogen-bonded Turntrans73.511.6-179.800000114.8T208T208-G210 VanDerWaalsContact C-N 3.27Å; T208-G210 PolarHBondContact O-N 3.04Å
211T92.6Very high94.9Very high40 Ų4035.4 Ų35.425%0.24521%0.211CC..BIsolated β-bridgetrans-142.3-173.9177.8-163.40000112.2P205 M206 F207 T208 A209 R235P205-T211 CarbonylContact O-C 3.46Å; P205-T211 WeakPolarHBondContact O-CA 3.48Å; M206-T211 CarbonylContact C-O 3.54Å; F207-T211 PolarHBondContact N-O 2.86Å; T208-T211 PolarHBondContact N-O 3.36Å; T208-T211 CarbonylContact O-C 3.52Å; T208-T211 WeakPolarHBondContact O-CG2 3.32Å; T208-T211 PolarHBondContact O-N 3.11Å; T208-T211 VanDerWaalsContact O-O 3.08Å; A209-T211 VanDerWaalsContact C-N 3.26Å; A209-T211 PolarHBondContact O-N 2.92Å; T211-R235 PolarHBondContact OG1-NH1 3.46Å
212C93.8Very high94.5Very high13 Ų1343 Ų439%0.08824%0.243CC..  trans-144.1156.8176.163.80000111.5P205 F207 P214 M271P205-C212 HydrophobicContact CB-CB 4.28Å; P205-C212 WeakPolarHBondContact O-CB 3.32Å; P205-C212 PolarHBondContact O-N 2.85Å; F207-C212 HydrophobicContact CB-CB 4.24Å; F207-C212 HydrophobicContact CD2-CB 4.25Å; C212-P214 VanDerWaalsContact C-CD 3.48Å; C212-P214 VanDerWaalsContact O-CD 3.29Å; C212-P214 WeakPolarHBondContact O-CD 3.21Å; C212-M271 HydrophobicContact CB-CE 4.19Å
213N93.3Very high94.6Very high49 Ų4945.2 Ų45.226%0.26226%0.26SS..  trans-108.181.3165.7-175.98.5000109.6H215 H260 K261 N263N213-H215 PolarHBondContact O-ND1 3.01Å; N213-H215 PolarHBondContact OD1-CE1 3.25Å; N213-H260 PolarHBondContact N-CE1 2.73Å; N213-H260 PolarHBondContact N-ND1 2.73Å; N213-H260 WeakPolarHBondContact O-CA 3.42Å; N213-K261 WeakPolarHBondContact CB-O 3.02Å; N213-K261 PolarHBondContact ND2-O 3.17Å; N213-K261 PolarHBondContact O-N 2.83Å; N213-N263 PolarHBondContact ND2-OD1 3Å
214P94.6Very high94.7Very high3 Ų350 Ų502%0.01928%0.28CS..EExtended strand (participates in β ladder)trans-72.1141.8-173.230.2-35.6000111.6C212 Y228 M240 F242 F258 F259 M271C212-P214 VanDerWaalsContact C-CD 3.48Å; C212-P214 VanDerWaalsContact O-CD 3.29Å; C212-P214 WeakPolarHBondContact O-CD 3.21Å; P214-Y228 PolarHBondContact O-OH 3.24Å; P214-M240 HydrophobicContact CG-CE 3.73Å; P214-M240 HydrophobicContact CG-SD 4.17Å; P214-F242 HydrophobicContact CB-CE1 3.91Å; P214-F242 HydrophobicContact CB-CZ 3.9Å; P214-F242 HydrophobicContact CG-CE1 3.54Å; P214-F242 HydrophobicContact CG-CZ 3.61Å; P214-F258 HydrophobicContact CB-CD1 4.41Å; P214-F259 CarbonylContact C-O 3.32Å; P214-F259 WeakPolarHBondContact CA-O 3.16Å; P214-M271 HydrophobicContact CB-SD 4.22Å
215H95.2Very high94.8Very high35 Ų3551.7 Ų51.716%0.16229%0.288CS..EExtended strand (participates in β ladder)trans-134.5142.7167.6-68.656.7000106.6N213 Y228 F258 F259 K261N213-H215 PolarHBondContact O-ND1 3.01Å; N213-H215 PolarHBondContact OD1-CE1 3.25Å; H215-Y228 HydrophobicContact CB-CD1 3.92Å; H215-Y228 HydrophobicContact CB-CE1 4.4Å; H215-Y228 HydrophobicContact CB-CG 4.25Å; H215-Y228 AromaticContact CD2-CD1 3.37Å; H215-Y228 WeakPolarHBondContact CD2-CD1 2.91Å; H215-Y228 AromaticContact CD2-CE1 3.59Å; H215-Y228 AromaticContact CE1-CE1 3.96Å; H215-Y228 AromaticContact CG-CD1 3.64Å; H215-Y228 AromaticContact CG-CE1 3.78Å; H215-Y228 AromaticContact NE2-CE1 3.77Å; H215-F258 CarbonylContact O-C 3.52Å; H215-F258 WeakPolarHBondContact O-CA 3.38Å; H215-F259 PolarHBondContact N-O 3.22Å; H215-F259 PolarHBondContact O-N 3.2Å; H215-K261 VanDerWaalsContact CE1-CB 3.46Å; H215-K261 WeakPolarHBondContact CE1-CB 3.2Å; H215-K261 WeakPolarHBondContact NE2-CD 3.28Å
216F97.4Very high94.8Very high4 Ų453.1 Ų53.12%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-133162.8177.672.8-90.5000113.4M199 V218 H226 Y228 F242 F244 V256 E257 F258M199-F216 HydrophobicContact CE-CD1 4.05Å; M199-F216 HydrophobicContact CE-CD2 3.6Å; M199-F216 HydrophobicContact CE-CE1 3.86Å; M199-F216 HydrophobicContact CE-CE2 3.37Å; M199-F216 HydrophobicContact CE-CG 3.94Å; M199-F216 HydrophobicContact CE-CZ 3.54Å; F216-V218 HydrophobicContact CD2-CG2 3.91Å; F216-V218 HydrophobicContact CE2-CG2 3.78Å; F216-H226 AromaticContact CE2-CD2 3.39Å; F216-H226 WeakPolarHBondContact CE2-CD2 3.48Å; F216-H226 AromaticContact CE2-NE2 3.8Å; F216-H226 AromaticContact CZ-CD2 3.79Å; F216-H226 AromaticContact CZ-NE2 3.67Å; F216-Y228 AromaticContact CD1-CD2 3.57Å; F216-Y228 HydrophobicContact CD1-CD2 3.57Å; F216-Y228 HydrophobicContact CD1-CE2 4.49Å; F216-Y228 HydrophobicContact CD1-CG 4.24Å; F216-Y228 AromaticContact CE1-CD2 3.6Å; F216-Y228 HydrophobicContact CE1-CD2 3.6Å; F216-Y228 HydrophobicContact CE1-CE2 4.5Å; F216-Y228 HydrophobicContact CE1-CG 4.43Å; F216-Y228 VanDerWaalsContact N-CB 3.3Å; F216-Y228 WeakPolarHBondContact O-CB 3.41Å; F216-Y228 PolarHBondContact O-N 3.23Å; F216-F242 HydrophobicContact CD1-CD1 4.18Å; F216-F242 HydrophobicContact CE1-CB 3.92Å; F216-F242 HydrophobicContact CE1-CD1 4.06Å; F216-F242 HydrophobicContact CE1-CG 4.27Å; F216-F244 AromaticContact CE2-CE1 3.72Å; F216-F244 HydrophobicContact CE2-CE1 3.72Å; F216-F244 HydrophobicContact CE2-CZ 4.01Å; F216-F244 AromaticContact CZ-CE1 3.91Å; F216-F244 HydrophobicContact CZ-CE1 3.91Å; F216-F244 HydrophobicContact CZ-CZ 4.27Å; F216-V256 HydrophobicContact CD2-CG1 4.34Å; F216-E257 CarbonylContact C-O 3.59Å; F216-E257 WeakPolarHBondContact CA-O 3.29Å; F216-E257 WeakPolarHBondContact CB-O 3.5Å; F216-F258 HydrophobicContact CB-CD1 3.63Å; F216-F258 HydrophobicContact CB-CD2 4.14Å; F216-F258 HydrophobicContact CB-CE1 3.61Å; F216-F258 HydrophobicContact CB-CE2 4.12Å; F216-F258 HydrophobicContact CB-CG 3.9Å; F216-F258 HydrophobicContact CB-CZ 3.86Å; F216-F258 AromaticContact CD1-CE1 3.84Å; F216-F258 HydrophobicContact CD1-CE1 3.84Å; F216-F258 HydrophobicContact CD1-CZ 4.16Å; F216-F258 HydrophobicContact CG-CD1 4.47Å; F216-F258 AromaticContact CG-CE1 3.98Å; F216-F258 HydrophobicContact CG-CE1 3.98Å; F216-F258 HydrophobicContact CG-CZ 4.06Å
217V98.2Very high94.8Very high14 Ų1453.6 Ų53.69%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-135.1137.2174.3-1730000107.9Y219 K224 H226 V256 E257 F259V217-Y219 HydrophobicContact CB-CD2 4.49Å; V217-Y219 HydrophobicContact CB-CE2 3.73Å; V217-Y219 HydrophobicContact CG1-CD2 4.02Å; V217-Y219 HydrophobicContact CG1-CE1 4.05Å; V217-Y219 HydrophobicContact CG1-CE2 3.38Å; V217-K224 HydrophobicContact CG1-CD 3.65Å; V217-K224 HydrophobicContact CG1-CG 3.47Å; V217-K224 VanDerWaalsContact CG1-CG 3.47Å; V217-H226 WeakPolarHBondContact CA-O 3.27Å; V217-H226 WeakPolarHBondContact CG1-O 3.3Å; V217-V256 WeakPolarHBondContact O-CA 3.21Å; V217-E257 PolarHBondContact N-O 3.25Å; V217-E257 PolarHBondContact O-N 2.92Å; V217-F259 HydrophobicContact CG2-CE2 4.17Å
218V98.6Very high94.7Very high0 Ų053.8 Ų53.80%030%0.302CS..EExtended strand (participates in β ladder)trans-108.5131.1173.4-171.40000108.5F216 I225 H226 F244 L248 I254 K255 V256F216-V218 HydrophobicContact CD2-CG2 3.91Å; F216-V218 HydrophobicContact CE2-CG2 3.78Å; V218-I225 HydrophobicContact CB-CG1 4.11Å; V218-I225 HydrophobicContact CG1-CD1 3.86Å; V218-I225 HydrophobicContact CG1-CG1 3.9Å; V218-I225 WeakPolarHBondContact O-CG1 3.21Å; V218-I225 PolarHBondContact O-N 2.66Å; V218-H226 HydrophobicContact CB-CB 4Å; V218-H226 HydrophobicContact CG2-CB 4.09Å; V218-H226 PolarHBondContact N-O 3.34Å; V218-H226 PolarHBondContact O-N 3.05Å; V218-F244 HydrophobicContact CG2-CE1 4.15Å; V218-F244 HydrophobicContact CG2-CZ 4.09Å; V218-L248 HydrophobicContact CB-CD2 4.08Å; V218-L248 HydrophobicContact CG1-CD2 4.02Å; V218-L248 HydrophobicContact CG2-CD2 4.12Å; V218-I254 HydrophobicContact CG1-CG2 3.67Å; V218-K255 CarbonylContact C-O 3.46Å; V218-K255 WeakPolarHBondContact CA-O 3.35Å; V218-V256 HydrophobicContact CG1-CG2 4.29Å; V218-V256 HydrophobicContact CG2-CG1 4.46Å; V218-V256 HydrophobicContact CG2-CG2 4.31Å
219Y98.6Very high94.5Very high47 Ų4754 Ų5418%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-119.2140.8174.1-54.6-98.3000109.9V217 V223 K224 I254 K255V217-Y219 HydrophobicContact CB-CD2 4.49Å; V217-Y219 HydrophobicContact CB-CE2 3.73Å; V217-Y219 HydrophobicContact CG1-CD2 4.02Å; V217-Y219 HydrophobicContact CG1-CE1 4.05Å; V217-Y219 HydrophobicContact CG1-CE2 3.38Å; Y219-V223 CarbonylContact C-O 3.59Å; Y219-V223 WeakPolarHBondContact CA-O 3.44Å; Y219-K224 HydrophobicContact CD1-CB 3.87Å; Y219-K224 HydrophobicContact CD1-CG 4.39Å; Y219-K224 HydrophobicContact CE1-CB 3.77Å; Y219-K224 HydrophobicContact CE1-CG 4.09Å; Y219-I254 WeakPolarHBondContact O-CA 3.12Å; Y219-K255 HydrophobicContact CD2-CB 4.46Å; Y219-K255 HydrophobicContact CD2-CD 4.28Å; Y219-K255 HydrophobicContact CD2-CG 4.49Å; Y219-K255 PolarHBondContact N-O 2.97Å; Y219-K255 PolarHBondContact O-N 3.36Å
220Q96.8Very high94.4Very high56 Ų5653 Ų5326%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-110.7119.8162.8-178.6169-52.300106.8K222 V223 I225 C251 I254Q220-K222 PolarHBondContact O-N 2.89Å; Q220-K222 VanDerWaalsContact O-N 3.16Å; Q220-V223 PolarHBondContact N-O 2.99Å; Q220-V223 PolarHBondContact O-N 2.82Å; Q220-I225 HydrophobicContact CB-CD1 3.95Å; Q220-I225 HydrophobicContact CB-CG1 4.44Å; Q220-I225 HydrophobicContact CB-CG2 4.09Å; Q220-C251 PolarHBondContact NE2-O 3.36Å; Q220-C251 PolarHBondContact OE1-O 2.81Å; Q220-I254 HydrophobicContact CB-CD1 3.75Å; Q220-I254 HydrophobicContact CG-CD1 3.69Å
221L90.5Very high94.4Very high78 Ų7854.4 Ų54.441%0.40829%0.293SS..THydrogen-bonded Turntrans52.8-118.5-166.8-55.1171.1000110.9Q98 D253Q98-L221 HydrophobicContact CG-CD2 4.01Å; L221-D253 HydrophobicContact CD2-CB 4.42Å; L221-D253 PolarHBondContact N-O 3.02Å
222K89.6Confident94.4Very high159 Ų15956.9 Ų56.969%0.69130%0.298SS*.THydrogen-bonded Turntrans-97-3.9177.2-63.2-172.6172.9-166.10113.3E92 Q220E92-K222 VanDerWaalsContact OE1-CE 3.27Å; E92-K222 WeakPolarHBondContact OE1-CE 3.37Å; E92-K222 IonicContact OE1-NZ 3.03Å; E92-K222 PolarHBondContact OE1-NZ 3.08Å; Q220-K222 PolarHBondContact O-N 2.89Å; Q220-K222 VanDerWaalsContact O-N 3.16Å
223V96.4Very high94.3Very high96 Ų9657.9 Ų57.958%0.58230%0.304SS*.EExtended strand (participates in β ladder)trans-93.5127.8-174.1-177.40000110Y219 Q220 I225Y219-V223 CarbonylContact C-O 3.59Å; Y219-V223 WeakPolarHBondContact CA-O 3.44Å; Q220-V223 PolarHBondContact N-O 2.99Å; Q220-V223 PolarHBondContact O-N 2.82Å; V223-I225 HydrophobicContact CG1-CG2 4.15Å; V223-I225 PolarHBondContact O-N 2.79Å
224K97.8Very high94.3Very high117 Ų11761.4 Ų61.451%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-76111.2171.8-174.5-177.5-55.8171.40109.4V217 Y219 T227V217-K224 HydrophobicContact CG1-CD 3.65Å; V217-K224 HydrophobicContact CG1-CG 3.47Å; V217-K224 VanDerWaalsContact CG1-CG 3.47Å; Y219-K224 HydrophobicContact CD1-CB 3.87Å; Y219-K224 HydrophobicContact CD1-CG 4.39Å; Y219-K224 HydrophobicContact CE1-CB 3.77Å; Y219-K224 HydrophobicContact CE1-CG 4.09Å; K224-T227 WeakPolarHBondContact CD-OG1 3.38Å
225I97.9Very high94.1Very high54 Ų5467.7 Ų67.728%0.27734%0.337SS..EExtended strand (participates in β ladder)trans-102.1-17.7-176.157.3163.9000113.1V218 Q220 V223 L248 V250V218-I225 HydrophobicContact CB-CG1 4.11Å; V218-I225 HydrophobicContact CG1-CD1 3.86Å; V218-I225 HydrophobicContact CG1-CG1 3.9Å; V218-I225 WeakPolarHBondContact O-CG1 3.21Å; V218-I225 PolarHBondContact O-N 2.66Å; Q220-I225 HydrophobicContact CB-CD1 3.95Å; Q220-I225 HydrophobicContact CB-CG1 4.44Å; Q220-I225 HydrophobicContact CB-CG2 4.09Å; V223-I225 HydrophobicContact CG1-CG2 4.15Å; V223-I225 PolarHBondContact O-N 2.79Å; I225-L248 HydrophobicContact CD1-CD1 4.37Å; I225-L248 HydrophobicContact CD1-CD2 4.03Å; I225-L248 HydrophobicContact CD1-CG 4.28Å; I225-L248 HydrophobicContact CG1-CD2 4.38Å; I225-V250 HydrophobicContact CD1-CG1 3.9Å
226H97.6Very high93.9Very high31 Ų3171.5 Ų71.514%0.14436%0.355CS..EExtended strand (participates in β ladder)trans-149.4142.5173.3-177.884.8000112.1F216 V217 V218 F244 L248F216-H226 AromaticContact CE2-CD2 3.39Å; F216-H226 WeakPolarHBondContact CE2-CD2 3.48Å; F216-H226 AromaticContact CE2-NE2 3.8Å; F216-H226 AromaticContact CZ-CD2 3.79Å; F216-H226 AromaticContact CZ-NE2 3.67Å; V217-H226 WeakPolarHBondContact CA-O 3.27Å; V217-H226 WeakPolarHBondContact CG1-O 3.3Å; V218-H226 HydrophobicContact CB-CB 4Å; V218-H226 HydrophobicContact CG2-CB 4.09Å; V218-H226 PolarHBondContact N-O 3.34Å; V218-H226 PolarHBondContact O-N 3.05Å; H226-F244 HydrophobicContact CB-CE1 4.23Å; H226-F244 AromaticContact CD2-CD1 3.91Å; H226-F244 AromaticContact CD2-CE1 3.52Å; H226-F244 AromaticContact CE1-CD1 3.56Å; H226-F244 AromaticContact CE1-CE1 3.99Å; H226-F244 AromaticContact CG-CD1 3.86Å; H226-F244 AromaticContact CG-CE1 3.64Å; H226-F244 AromaticContact ND1-CD1 3.65Å; H226-F244 AromaticContact ND1-CE1 3.93Å; H226-F244 AromaticContact NE2-CD1 3.72Å; H226-F244 AromaticContact NE2-CE1 3.76Å; H226-L248 HydrophobicContact CB-CD1 4.24Å; H226-L248 HydrophobicContact CB-CD2 3.72Å
227T95.3Very high93.4Very high85 Ų8577.7 Ų77.752%0.52139%0.388SS..EExtended strand (participates in β ladder)trans-121.9132.6168.5-58.40000109.1K224K224-T227 WeakPolarHBondContact CD-OG1 3.38Å
228Y92.4Very high93Very high27 Ų2783.3 Ų83.311%0.10641%0.411CS..  trans-45.3136.9179.4167.1-98.3000114.6P214 H215 F216 P230 T233 F242P214-Y228 PolarHBondContact O-OH 3.24Å; H215-Y228 HydrophobicContact CB-CD1 3.92Å; H215-Y228 HydrophobicContact CB-CE1 4.4Å; H215-Y228 HydrophobicContact CB-CG 4.25Å; H215-Y228 AromaticContact CD2-CD1 3.37Å; H215-Y228 WeakPolarHBondContact CD2-CD1 2.91Å; H215-Y228 AromaticContact CD2-CE1 3.59Å; H215-Y228 AromaticContact CE1-CE1 3.96Å; H215-Y228 AromaticContact CG-CD1 3.64Å; H215-Y228 AromaticContact CG-CE1 3.78Å; H215-Y228 AromaticContact NE2-CE1 3.77Å; F216-Y228 AromaticContact CD1-CD2 3.57Å; F216-Y228 HydrophobicContact CD1-CD2 3.57Å; F216-Y228 HydrophobicContact CD1-CE2 4.49Å; F216-Y228 HydrophobicContact CD1-CG 4.24Å; F216-Y228 AromaticContact CE1-CD2 3.6Å; F216-Y228 HydrophobicContact CE1-CD2 3.6Å; F216-Y228 HydrophobicContact CE1-CE2 4.5Å; F216-Y228 HydrophobicContact CE1-CG 4.43Å; F216-Y228 VanDerWaalsContact N-CB 3.3Å; F216-Y228 WeakPolarHBondContact O-CB 3.41Å; F216-Y228 PolarHBondContact O-N 3.23Å; Y228-P230 HydrophobicContact CE1-CB 3.85Å; Y228-P230 HydrophobicContact CE1-CG 4.34Å; Y228-P230 WeakPolarHBondContact OH-CA 3.37Å; Y228-T233 WeakPolarHBondContact CE2-OG1 3.32Å; Y228-F242 HydrophobicContact CE2-CD1 4.25Å; Y228-F242 HydrophobicContact CE2-CE1 4.44Å
229N88.4Confident92.8Very high71 Ų7186.2 Ų86.238%0.3843%0.427SS..  trans-122.5119.8170.1-176.6-20.5000109.7A231 Y232N229-A231 PolarHBondContact O-N 3.19Å; N229-A231 VanDerWaalsContact O-N 3.14Å; N229-A231 VanDerWaalsContact OD1-CB 3.31Å; N229-A231 WeakPolarHBondContact OD1-CB 2.93Å; N229-A231 PolarHBondContact OD1-N 3.35Å; N229-Y232 HydrophobicContact CB-CD2 3.96Å; N229-Y232 HydrophobicContact CB-CE2 4.44Å; N229-Y232 PolarHBondContact O-N 2.99Å
230P88.6Confident92.7Very high85 Ų8584.5 Ų84.555%0.55242%0.42SS*.G310 helixtrans-63.8-19.1-177.426.8-35.4000114.4Y228 Y232 T233Y228-P230 HydrophobicContact CE1-CB 3.85Å; Y228-P230 HydrophobicContact CE1-CG 4.34Å; Y228-P230 WeakPolarHBondContact OH-CA 3.37Å; P230-Y232 PolarHBondContact O-N 2.81Å; P230-T233 PolarHBondContact O-N 3.02Å
231A89.9Confident92.7Very high79 Ų7983.1 Ų83.165%0.65342%0.415SS*.G310 helixtrans-64-19.317800000113.4N229N229-A231 PolarHBondContact O-N 3.19Å; N229-A231 VanDerWaalsContact O-N 3.14Å; N229-A231 VanDerWaalsContact OD1-CB 3.31Å; N229-A231 WeakPolarHBondContact OD1-CB 2.93Å; N229-A231 PolarHBondContact OD1-N 3.35Å
232Y91.6Very high93Very high91 Ų9179.4 Ų79.436%0.35740%0.395SS..G310 helixtrans-112.429.6-176.5-56.9-89.8000112.1N229 P230 E243 P245N229-Y232 HydrophobicContact CB-CD2 3.96Å; N229-Y232 HydrophobicContact CB-CE2 4.44Å; N229-Y232 PolarHBondContact O-N 2.99Å; P230-Y232 PolarHBondContact O-N 2.81Å; Y232-E243 WeakPolarHBondContact CB-O 3.17Å; Y232-E243 PolarHBondContact O-N 3.07Å; Y232-P245 HydrophobicContact CD1-CB 4.32Å; Y232-P245 HydrophobicContact CD1-CG 4.28Å; Y232-P245 HydrophobicContact CD2-CG 3.78Å; Y232-P245 HydrophobicContact CE1-CB 3.73Å; Y232-P245 HydrophobicContact CE1-CG 4.03Å; Y232-P245 HydrophobicContact CE2-CB 3.98Å; Y232-P245 HydrophobicContact CE2-CG 3.52Å; Y232-P245 HydrophobicContact CG-CG 4.16Å
233T92.1Very high93.4Very high34 Ų3474.3 Ų74.321%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-117.5125.8175.8-58.90000110Y228 P230 L241 F242Y228-T233 WeakPolarHBondContact CE2-OG1 3.32Å; P230-T233 PolarHBondContact O-N 3.02Å; T233-L241 WeakPolarHBondContact CA-O 3.33Å; T233-F242 HydrophobicContact CG2-CD1 3.89Å; T233-F242 HydrophobicContact CG2-CE1 3.78Å
234R92.6Very high93.4Very high123 Ų12370.4 Ų70.446%0.46435%0.349SS..EExtended strand (participates in β ladder)trans-119.2140.9178-62.4-170.5-91.9179.4-5.1109.4M240 L241 E243R234-M240 WeakPolarHBondContact O-CA 3.46Å; R234-L241 HydrophobicContact CB-CB 4.32Å; R234-L241 PolarHBondContact N-O 2.81Å; R234-L241 PolarHBondContact O-N 3.03Å; R234-E243 IonicContact CZ-OE1 2.81Å; R234-E243 IonicContact CZ-OE2 2.8Å; R234-E243 IonicContact NE-OE2 2.73Å; R234-E243 PolarHBondContact NE-OE2 2.93Å; R234-E243 IonicContact NH2-OE1 3.53Å; R234-E243 PolarHBondContact NH2-OE1 2.95Å; R234-E243 IonicContact NH2-OE2 3.84Å; R234-E243 PolarHBondContact NH2-OE2 3.22Å
235R91.7Very high93.2Very high135 Ų13567.9 Ų67.951%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-121.7124.9175.4-178.8179.7176.5174.60.4108.7I204 T211 L239 M240I204-R235 HydrophobicContact CD1-CG 4.35Å; T211-R235 PolarHBondContact OG1-NH1 3.46Å; R235-L239 WeakPolarHBondContact CA-O 3.15Å; R235-M240 HydrophobicContact CG-CG 4.37Å
236E89.2Confident93Very high115 Ų11572.8 Ų72.854%0.53737%0.367SS..EExtended strand (participates in β ladder)trans-130.6102.8-178.1-67.2179.6-168.100108.4K238 L239E236-K238 PolarHBondContact O-N 3.36Å; E236-L239 PolarHBondContact N-O 2.88Å; E236-L239 WeakPolarHBondContact O-CB 3.45Å; E236-L239 PolarHBondContact O-N 2.79Å
237D88Confident93Very high134 Ų13474 Ų7472%0.71738%0.377SS*.THydrogen-bonded Turntrans50.9-103.4-174.7-175.436.7000112.8
238K90.1Very high93.1Very high132 Ų13270.9 Ų70.957%0.57436%0.357SS*.THydrogen-bonded Turntrans-93.4-6.1-179.6-65.5175.2-169.9174.70113.8E202 T203 I204 E236E202-K238 CarbonylContact C-O 3.51Å; T203-K238 CarbonylContact C-O 3.59Å; T203-K238 VanDerWaalsContact C-O 3.32Å; T203-K238 WeakPolarHBondContact CA-O 3.33Å; I204-K238 VanDerWaalsContact CD1-C 3.46Å; I204-K238 WeakPolarHBondContact CD1-O 3.42Å; I204-K238 PolarHBondContact N-O 3.1Å; E236-K238 PolarHBondContact O-N 3.36Å
239L94.1Very high93.4Very high62 Ų6273.8 Ų73.833%0.32538%0.379SS..EExtended strand (participates in β ladder)trans-97.8143.6-176.1-56179.3000111.6L200 F201 R235 E236L200-L239 HydrophobicContact CD1-CB 4.05Å; L200-L239 HydrophobicContact CD1-CD2 4.48Å; F201-L239 VanDerWaalsContact O-CA 3.31Å; F201-L239 WeakPolarHBondContact O-CA 3.38Å; F201-L239 WeakPolarHBondContact O-CD2 3.08Å; R235-L239 WeakPolarHBondContact CA-O 3.15Å; E236-L239 PolarHBondContact N-O 2.88Å; E236-L239 WeakPolarHBondContact O-CB 3.45Å; E236-L239 PolarHBondContact O-N 2.79Å
240M95.9Very high93.8Very high10 Ų1070.6 Ų70.65%0.04936%0.362CS..EExtended strand (participates in β ladder)trans-123.6120.6163.4-58.1-171.886.800109.7L200 F201 I204 P214 R234 R235 F242L200-M240 CarbonylContact C-O 3.58Å; L200-M240 WeakPolarHBondContact CA-O 3.39Å; F201-M240 HydrophobicContact CB-CB 4.16Å; F201-M240 HydrophobicContact CD2-CB 4.22Å; F201-M240 HydrophobicContact CG-CB 4.45Å; F201-M240 PolarHBondContact N-O 3.07Å; F201-M240 PolarHBondContact O-N 2.86Å; I204-M240 HydrophobicContact CD1-CG 3.36Å; I204-M240 HydrophobicContact CD1-SD 4.03Å; I204-M240 HydrophobicContact CG2-SD 4.32Å; P214-M240 HydrophobicContact CG-CE 3.73Å; P214-M240 HydrophobicContact CG-SD 4.17Å; R234-M240 WeakPolarHBondContact O-CA 3.46Å; R235-M240 HydrophobicContact CG-CG 4.37Å; M240-F242 HydrophobicContact CB-CE2 3.84Å; M240-F242 HydrophobicContact CB-CZ 3.91Å
241L96.9Very high94.3Very high27 Ų2768.3 Ų68.314%0.14135%0.348CS..EExtended strand (participates in β ladder)trans-102.4131.9177.7-177.369.2000109.5K198 L200 T233 R234 E243K198-L241 HydrophobicContact CB-CD1 4.22Å; K198-L241 HydrophobicContact CD-CD1 4.08Å; K198-L241 HydrophobicContact CG-CD1 4.31Å; L200-L241 HydrophobicContact CB-CD1 4.4Å; L200-L241 HydrophobicContact CD1-CB 4.3Å; L200-L241 HydrophobicContact CD1-CD1 4.19Å; T233-L241 WeakPolarHBondContact CA-O 3.33Å; R234-L241 HydrophobicContact CB-CB 4.32Å; R234-L241 PolarHBondContact N-O 2.81Å; R234-L241 PolarHBondContact O-N 3.03Å; L241-E243 HydrophobicContact CD1-CG 4.48Å; L241-E243 HydrophobicContact CD2-CG 4.02Å; L241-E243 HydrophobicContact CG-CG 4.01Å
242F97.6Very high94.6Very high0 Ų064.9 Ų64.90%032%0.32CS..EExtended strand (participates in β ladder)trans-121.2108.9176.6-54.1-87.4000108.5K198 M199 F201 P214 F216 Y228 T233 M240 F258K198-F242 CarbonylContact C-O 3.51Å; K198-F242 WeakPolarHBondContact CA-O 3.49Å; K198-F242 WeakPolarHBondContact CB-O 3.35Å; M199-F242 HydrophobicContact CB-CB 4.3Å; M199-F242 HydrophobicContact CB-CD2 4.33Å; M199-F242 HydrophobicContact CE-CB 4.42Å; M199-F242 PolarHBondContact N-O 3.1Å; M199-F242 PolarHBondContact O-N 2.99Å; F201-F242 HydrophobicContact CD1-CD2 4.48Å; F201-F242 AromaticContact CD1-CE2 3.84Å; F201-F242 HydrophobicContact CD1-CE2 3.84Å; F201-F242 AromaticContact CD2-CE2 3.67Å; F201-F242 HydrophobicContact CD2-CE2 3.67Å; F201-F242 AromaticContact CD2-CZ 4Å; F201-F242 HydrophobicContact CD2-CZ 4Å; F201-F242 HydrophobicContact CE1-CD2 4.37Å; F201-F242 AromaticContact CE1-CE2 3.76Å; F201-F242 HydrophobicContact CE1-CE2 3.76Å; F201-F242 AromaticContact CE2-CE2 3.6Å; F201-F242 HydrophobicContact CE2-CE2 3.6Å; F201-F242 AromaticContact CE2-CZ 3.7Å; F201-F242 HydrophobicContact CE2-CZ 3.7Å; F201-F242 AromaticContact CG-CE2 3.79Å; F201-F242 HydrophobicContact CG-CE2 3.79Å; F201-F242 AromaticContact CZ-CE2 3.65Å; F201-F242 HydrophobicContact CZ-CE2 3.65Å; F201-F242 HydrophobicContact CZ-CZ 4.02Å; P214-F242 HydrophobicContact CB-CE1 3.91Å; P214-F242 HydrophobicContact CB-CZ 3.9Å; P214-F242 HydrophobicContact CG-CE1 3.54Å; P214-F242 HydrophobicContact CG-CZ 3.61Å; F216-F242 HydrophobicContact CD1-CD1 4.18Å; F216-F242 HydrophobicContact CE1-CB 3.92Å; F216-F242 HydrophobicContact CE1-CD1 4.06Å; F216-F242 HydrophobicContact CE1-CG 4.27Å; Y228-F242 HydrophobicContact CE2-CD1 4.25Å; Y228-F242 HydrophobicContact CE2-CE1 4.44Å; T233-F242 HydrophobicContact CG2-CD1 3.89Å; T233-F242 HydrophobicContact CG2-CE1 3.78Å; M240-F242 HydrophobicContact CB-CE2 3.84Å; M240-F242 HydrophobicContact CB-CZ 3.91Å; F242-F258 HydrophobicContact CD1-CE1 4.45Å; F242-F258 HydrophobicContact CD2-CE1 4.31Å; F242-F258 HydrophobicContact CD2-CZ 4.47Å; F242-F258 HydrophobicContact CE1-CE1 4.21Å; F242-F258 HydrophobicContact CE2-CE1 4.08Å; F242-F258 HydrophobicContact CG-CE1 4.48Å; F242-F258 HydrophobicContact CZ-CE1 4.03Å
243E96.5Very high95Very high52 Ų5261 Ų6124%0.24331%0.306CS..EExtended strand (participates in β ladder)trans-103.2149.3-179.9-72.5165.3117.500110.7K198 Y232 R234 L241K198-E243 HydrophobicContact CB-CG 3.82Å; Y232-E243 WeakPolarHBondContact CB-O 3.17Å; Y232-E243 PolarHBondContact O-N 3.07Å; R234-E243 IonicContact CZ-OE1 2.81Å; R234-E243 IonicContact CZ-OE2 2.8Å; R234-E243 IonicContact NE-OE2 2.73Å; R234-E243 PolarHBondContact NE-OE2 2.93Å; R234-E243 IonicContact NH2-OE1 3.53Å; R234-E243 PolarHBondContact NH2-OE1 2.95Å; R234-E243 IonicContact NH2-OE2 3.84Å; R234-E243 PolarHBondContact NH2-OE2 3.22Å; L241-E243 HydrophobicContact CD1-CG 4.48Å; L241-E243 HydrophobicContact CD2-CG 4.02Å; L241-E243 HydrophobicContact CG-CG 4.01Å
244F96.1Very high95.3Very high14 Ų1459.4 Ų59.46%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-85.6142.2166.5-60.7-78.6000109.3F196 H197 M199 F216 V218 H226 Q246 L248F196-F244 HydrophobicContact CB-CE2 4.21Å; F196-F244 AromaticContact CD1-CE2 3.73Å; F196-F244 HydrophobicContact CD1-CE2 3.73Å; F196-F244 AromaticContact CD1-CZ 3.83Å; F196-F244 HydrophobicContact CD1-CZ 3.83Å; F196-F244 AromaticContact CD2-CE2 3.87Å; F196-F244 HydrophobicContact CD2-CE2 3.87Å; F196-F244 HydrophobicContact CE1-CE2 4.03Å; F196-F244 AromaticContact CE1-CZ 3.96Å; F196-F244 HydrophobicContact CE1-CZ 3.96Å; F196-F244 HydrophobicContact CE2-CE2 4.16Å; F196-F244 HydrophobicContact CG-CD2 4.5Å; F196-F244 AromaticContact CG-CE2 3.64Å; F196-F244 HydrophobicContact CG-CE2 3.64Å; F196-F244 HydrophobicContact CG-CZ 4.22Å; F196-F244 HydrophobicContact CZ-CE2 4.23Å; F196-F244 HydrophobicContact CZ-CZ 4.45Å; F196-F244 WeakPolarHBondContact O-CD2 3.24Å; H197-F244 VanDerWaalsContact C-CD2 3.49Å; H197-F244 VanDerWaalsContact O-CD2 3.27Å; H197-F244 WeakPolarHBondContact O-CD2 2.76Å; H197-F244 PolarHBondContact O-N 3.35Å; H197-F244 VanDerWaalsContact O-N 3.08Å; M199-F244 HydrophobicContact CE-CZ 4.26Å; F216-F244 AromaticContact CE2-CE1 3.72Å; F216-F244 HydrophobicContact CE2-CE1 3.72Å; F216-F244 HydrophobicContact CE2-CZ 4.01Å; F216-F244 AromaticContact CZ-CE1 3.91Å; F216-F244 HydrophobicContact CZ-CE1 3.91Å; F216-F244 HydrophobicContact CZ-CZ 4.27Å; V218-F244 HydrophobicContact CG2-CE1 4.15Å; V218-F244 HydrophobicContact CG2-CZ 4.09Å; H226-F244 HydrophobicContact CB-CE1 4.23Å; H226-F244 AromaticContact CD2-CD1 3.91Å; H226-F244 AromaticContact CD2-CE1 3.52Å; H226-F244 AromaticContact CE1-CD1 3.56Å; H226-F244 AromaticContact CE1-CE1 3.99Å; H226-F244 AromaticContact CG-CD1 3.86Å; H226-F244 AromaticContact CG-CE1 3.64Å; H226-F244 AromaticContact ND1-CD1 3.65Å; H226-F244 AromaticContact ND1-CE1 3.93Å; H226-F244 AromaticContact NE2-CD1 3.72Å; H226-F244 AromaticContact NE2-CE1 3.76Å; F244-Q246 WeakPolarHBondContact CB-O 3.4Å; F244-Q246 PolarHBondContact O-N 2.9Å; F244-L248 HydrophobicContact CD1-CB 4.09Å; F244-L248 HydrophobicContact CD1-CD2 4.23Å; F244-L248 HydrophobicContact CD2-CB 4.24Å; F244-L248 HydrophobicContact CE1-CB 4.27Å; F244-L248 HydrophobicContact CE1-CD2 3.67Å; F244-L248 HydrophobicContact CE2-CB 4.45Å; F244-L248 HydrophobicContact CG-CB 4.08Å; F244-L248 HydrophobicContact CZ-CB 4.47Å; F244-L248 HydrophobicContact CZ-CD2 3.9Å
245P93.9Very high95.6Very high65 Ų6555 Ų5542%0.42228%0.28SS..EExtended strand (participates in β ladder)trans-55.1-36175.8-20.927.5000113Y232Y232-P245 HydrophobicContact CD1-CB 4.32Å; Y232-P245 HydrophobicContact CD1-CG 4.28Å; Y232-P245 HydrophobicContact CD2-CG 3.78Å; Y232-P245 HydrophobicContact CE1-CB 3.73Å; Y232-P245 HydrophobicContact CE1-CG 4.03Å; Y232-P245 HydrophobicContact CE2-CB 3.98Å; Y232-P245 HydrophobicContact CE2-CG 3.52Å; Y232-P245 HydrophobicContact CG-CG 4.16Å
246Q94.8Very high95.9Very high157 Ų15748.6 Ų48.673%0.73426%0.256SS*.EExtended strand (participates in β ladder)trans-137.9149.2170.1-64.5-178.93.900107F244 L248F244-Q246 WeakPolarHBondContact CB-O 3.4Å; F244-Q246 PolarHBondContact O-N 2.9Å; Q246-L248 PolarHBondContact O-N 2.87Å
247P96.8Very high96.3Very high55 Ų5543.5 Ų43.536%0.35723%0.232SC..EExtended strand (participates in β ladder)trans-54.5126.4179.5-23.833.8000111.2L195 H197 P249L195-P247 HydrophobicContact CB-CB 3.81Å; L195-P247 HydrophobicContact CD1-CB 4.3Å; L195-P247 HydrophobicContact CD2-CB 4.47Å; L195-P247 HydrophobicContact CG-CB 4.42Å; H197-P247 WeakPolarHBondContact CE1-CG 3.12Å; H197-P247 WeakPolarHBondContact ND1-CG 3.33Å; P247-P249 WeakPolarHBondContact O-CD 3.25Å
248L97.9Very high96.8Very high20 Ų2037.1 Ų37.111%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-81.7117.4-174.6176.366.8000110.1F196 V218 I225 H226 F244 Q246 V250F196-L248 HydrophobicContact CB-CB 4.28Å; F196-L248 WeakPolarHBondContact CB-O 3.03Å; F196-L248 PolarHBondContact N-O 2.84Å; F196-L248 PolarHBondContact O-N 2.71Å; V218-L248 HydrophobicContact CB-CD2 4.08Å; V218-L248 HydrophobicContact CG1-CD2 4.02Å; V218-L248 HydrophobicContact CG2-CD2 4.12Å; I225-L248 HydrophobicContact CD1-CD1 4.37Å; I225-L248 HydrophobicContact CD1-CD2 4.03Å; I225-L248 HydrophobicContact CD1-CG 4.28Å; I225-L248 HydrophobicContact CG1-CD2 4.38Å; H226-L248 HydrophobicContact CB-CD1 4.24Å; H226-L248 HydrophobicContact CB-CD2 3.72Å; F244-L248 HydrophobicContact CD1-CB 4.09Å; F244-L248 HydrophobicContact CD1-CD2 4.23Å; F244-L248 HydrophobicContact CD2-CB 4.24Å; F244-L248 HydrophobicContact CE1-CB 4.27Å; F244-L248 HydrophobicContact CE1-CD2 3.67Å; F244-L248 HydrophobicContact CE2-CB 4.45Å; F244-L248 HydrophobicContact CG-CB 4.08Å; F244-L248 HydrophobicContact CZ-CB 4.47Å; F244-L248 HydrophobicContact CZ-CD2 3.9Å; Q246-L248 PolarHBondContact O-N 2.87Å; L248-V250 HydrophobicContact CD2-CG1 4.27Å; L248-V250 HydrophobicContact CG-CG1 4.14Å; L248-V250 PolarHBondContact O-N 2.88Å
249P97.9Very high97.1Very high89 Ų8932.3 Ų32.358%0.57818%0.177SC*.EExtended strand (participates in β ladder)trans-65.1129174.9-19.433.2000110.7L195 P247L195-P249 HydrophobicContact CD2-CB 4.39Å; L195-P249 HydrophobicContact CD2-CG 4.22Å; P247-P249 WeakPolarHBondContact O-CD 3.25Å
250V98.2Very high97.2Very high3 Ų329.6 Ų29.62%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-137.1144.7179.7-67.30000110.7L194 F196 I225 L248 I254 T278 F355L194-V250 HydrophobicContact CB-CG2 4.1Å; L194-V250 PolarHBondContact N-O 3.38Å; L194-V250 WeakPolarHBondContact O-CG2 3.24Å; L194-V250 PolarHBondContact O-N 2.92Å; F196-V250 HydrophobicContact CB-CG1 4.14Å; F196-V250 HydrophobicContact CB-CG2 4Å; F196-V250 HydrophobicContact CD1-CG1 4.35Å; I225-V250 HydrophobicContact CD1-CG1 3.9Å; L248-V250 HydrophobicContact CD2-CG1 4.27Å; L248-V250 HydrophobicContact CG-CG1 4.14Å; L248-V250 PolarHBondContact O-N 2.88Å; V250-I254 HydrophobicContact CB-CD1 3.78Å; V250-I254 HydrophobicContact CB-CG1 4.03Å; V250-I254 HydrophobicContact CG1-CD1 4.07Å; V250-I254 HydrophobicContact CG1-CG1 4.41Å; V250-T278 HydrophobicContact CB-CG2 4.36Å; V250-T278 HydrophobicContact CG2-CG2 3.98Å; V250-F355 HydrophobicContact CG2-CD1 4.12Å; V250-F355 HydrophobicContact CG2-CE1 4.04Å
251C97.6Very high96.9Very high37 Ų3732.1 Ų32.125%0.2517%0.173CC..EExtended strand (participates in β ladder)trans-151.8134.6177.5-169.30000111.3P191 Q220P191-C251 WeakPolarHBondContact CB-SG 3.46Å; Q220-C251 PolarHBondContact NE2-O 3.36Å; Q220-C251 PolarHBondContact OE1-O 2.81Å
252G97.8Very high96.2Very high7 Ų734 Ų347%0.07218%0.181CC..SBendtrans75.1-135.7177.800000112.9Y189 N277 T278Y189-G252 WeakPolarHBondContact OH-CA 3.42Å; G252-N277 VanDerWaalsContact O-CA 3.29Å; G252-N277 WeakPolarHBondContact O-CA 3.48Å; G252-T278 PolarHBondContact N-OG1 3.4Å; G252-T278 PolarHBondContact O-N 2.74Å
253D98.5Very high95Very high10 Ų1040.9 Ų40.95%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-80.2116-175.1-67.4-44.5000112.4Q98 L99 Y175 L221 W275 N277Q98-D253 VanDerWaalsContact CA-OD2 3.27Å; Q98-D253 WeakPolarHBondContact CA-OD2 3.12Å; L99-D253 PolarHBondContact N-OD2 2.97Å; Y175-D253 VanDerWaalsContact CE1-OD1 3.26Å; Y175-D253 WeakPolarHBondContact CE1-OD1 3.5Å; Y175-D253 VanDerWaalsContact CZ-OD1 3.3Å; Y175-D253 VanDerWaalsContact OH-CG 3.27Å; Y175-D253 PolarHBondContact OH-OD1 3.49Å; L221-D253 HydrophobicContact CD2-CB 4.42Å; L221-D253 PolarHBondContact N-O 3.02Å; D253-W275 HydrophobicContact CB-CE3 4.29Å; D253-W275 HydrophobicContact CB-CZ3 4.15Å; D253-N277 WeakPolarHBondContact OD1-CB 3.01Å; D253-N277 PolarHBondContact OD1-ND2 3.29Å
254I98.7Very high93.5Very high1 Ų148.2 Ų48.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-118.9128.7-176.1-52.1-59.8000110.2V218 Y219 Q220 V250 V256 W275 I276 T278V218-I254 HydrophobicContact CG1-CG2 3.67Å; Y219-I254 WeakPolarHBondContact O-CA 3.12Å; Q220-I254 HydrophobicContact CB-CD1 3.75Å; Q220-I254 HydrophobicContact CG-CD1 3.69Å; V250-I254 HydrophobicContact CB-CD1 3.78Å; V250-I254 HydrophobicContact CB-CG1 4.03Å; V250-I254 HydrophobicContact CG1-CD1 4.07Å; V250-I254 HydrophobicContact CG1-CG1 4.41Å; I254-V256 HydrophobicContact CG2-CG2 4.41Å; I254-W275 CarbonylContact O-C 3.57Å; I254-W275 VanDerWaalsContact O-CA 3.32Å; I254-W275 WeakPolarHBondContact O-CA 3.23Å; I254-I276 HydrophobicContact CB-CG1 4.15Å; I254-I276 PolarHBondContact N-O 3.01Å; I254-I276 PolarHBondContact O-N 2.81Å; I254-T278 HydrophobicContact CG1-CG2 4.1Å
255K98.8Very high91.9Very high30 Ų3054.3 Ų54.313%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-105.2133170.2-175.3-176.2177.4172.90110.1V218 Y219 E257 F274 W275V218-K255 CarbonylContact C-O 3.46Å; V218-K255 WeakPolarHBondContact CA-O 3.35Å; Y219-K255 HydrophobicContact CD2-CB 4.46Å; Y219-K255 HydrophobicContact CD2-CD 4.28Å; Y219-K255 HydrophobicContact CD2-CG 4.49Å; Y219-K255 PolarHBondContact N-O 2.97Å; Y219-K255 PolarHBondContact O-N 3.36Å; K255-E257 IonicContact NZ-OE2 2.78Å; K255-F274 WeakPolarHBondContact CA-O 3.42Å; K255-W275 HydrophobicContact CB-CD2 3.68Å; K255-W275 HydrophobicContact CB-CE3 3.86Å; K255-W275 HydrophobicContact CB-CG 4.34Å; K255-W275 HydrophobicContact CB-CH2 3.87Å; K255-W275 HydrophobicContact CB-CZ2 3.72Å; K255-W275 HydrophobicContact CB-CZ3 3.94Å; K255-W275 HydrophobicContact CD-CH2 4.45Å; K255-W275 HydrophobicContact CD-CZ2 3.62Å; K255-W275 HydrophobicContact CG-CD2 4.14Å; K255-W275 HydrophobicContact CG-CG 4.45Å; K255-W275 HydrophobicContact CG-CZ2 4.06Å
256V98.7Very high90.6Very high0 Ų058.6 Ų58.60%030%0.296CS..EExtended strand (participates in β ladder)trans-119.3129.7166.9-172.70000108.8F196 M199 F216 V217 V218 I254 F258 H273 F274F196-V256 HydrophobicContact CE1-CG2 4.21Å; M199-V256 HydrophobicContact CE-CG1 4.2Å; M199-V256 HydrophobicContact SD-CG1 3.9Å; F216-V256 HydrophobicContact CD2-CG1 4.34Å; V217-V256 WeakPolarHBondContact O-CA 3.21Å; V218-V256 HydrophobicContact CG1-CG2 4.29Å; V218-V256 HydrophobicContact CG2-CG1 4.46Å; V218-V256 HydrophobicContact CG2-CG2 4.31Å; I254-V256 HydrophobicContact CG2-CG2 4.41Å; V256-F258 HydrophobicContact CG1-CD2 4.04Å; V256-F258 HydrophobicContact CG1-CE2 3.58Å; V256-F258 HydrophobicContact CG1-CZ 4.42Å; V256-H273 CarbonylContact O-C 3.54Å; V256-H273 WeakPolarHBondContact O-CA 3.14Å; V256-H273 VanDerWaalsContact O-CB 3.28Å; V256-H273 WeakPolarHBondContact O-CB 3.46Å; V256-F274 HydrophobicContact CB-CD2 4.37Å; V256-F274 HydrophobicContact CB-CE1 3.89Å; V256-F274 HydrophobicContact CB-CE2 3.72Å; V256-F274 HydrophobicContact CB-CZ 3.46Å; V256-F274 VanDerWaalsContact CB-CZ 3.46Å; V256-F274 HydrophobicContact CG1-CE1 4.29Å; V256-F274 HydrophobicContact CG1-CZ 4.04Å; V256-F274 HydrophobicContact CG2-CE2 3.64Å; V256-F274 HydrophobicContact CG2-CZ 3.69Å; V256-F274 PolarHBondContact N-O 3.18Å; V256-F274 PolarHBondContact O-N 2.9Å
257E98.5Very high89.7Confident9 Ų958.3 Ų58.34%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-127.1126.2-178.4-175.1164.9-134.400110.9F216 V217 K255 F259 K270 H273F216-E257 CarbonylContact C-O 3.59Å; F216-E257 WeakPolarHBondContact CA-O 3.29Å; F216-E257 WeakPolarHBondContact CB-O 3.5Å; V217-E257 PolarHBondContact N-O 3.25Å; V217-E257 PolarHBondContact O-N 2.92Å; K255-E257 IonicContact NZ-OE2 2.78Å; E257-F259 HydrophobicContact CB-CE2 4.18Å; E257-F259 HydrophobicContact CB-CZ 4.37Å; E257-F259 VanDerWaalsContact CD-CZ 3.43Å; E257-F259 HydrophobicContact CG-CD2 4.46Å; E257-F259 HydrophobicContact CG-CE1 4.14Å; E257-F259 HydrophobicContact CG-CE2 3.64Å; E257-F259 HydrophobicContact CG-CZ 3.46Å; E257-F259 VanDerWaalsContact CG-CZ 3.46Å; E257-F259 WeakPolarHBondContact OE2-CZ 3.49Å; E257-K270 WeakPolarHBondContact OE1-CE 3Å; E257-K270 IonicContact OE1-NZ 2.71Å; E257-K270 PolarHBondContact OE1-NZ 2.87Å; E257-H273 HydrophobicContact CB-CB 3.93Å; E257-H273 HydrophobicContact CG-CB 3.93Å
258F98.3Very high89.1Confident0 Ų061.6 Ų61.60%030%0.301CS..EExtended strand (participates in β ladder)trans-106142.7179.9-79.2-95.9000111.6M199 F201 P214 H215 F216 F242 V256 M271 F272 F274M199-F258 HydrophobicContact CE-CE2 4.25Å; M199-F258 HydrophobicContact CE-CZ 3.72Å; M199-F258 HydrophobicContact SD-CE2 3.96Å; M199-F258 HydrophobicContact SD-CZ 3.83Å; F201-F258 AromaticContact CE1-CE1 3.96Å; F201-F258 HydrophobicContact CE1-CE1 3.96Å; F201-F258 HydrophobicContact CE1-CE2 4.18Å; F201-F258 AromaticContact CE1-CZ 3.77Å; F201-F258 HydrophobicContact CE1-CZ 3.77Å; F201-F258 HydrophobicContact CE2-CD1 4.35Å; F201-F258 HydrophobicContact CE2-CE1 4.25Å; F201-F258 AromaticContact CZ-CD1 3.61Å; F201-F258 HydrophobicContact CZ-CD1 3.61Å; F201-F258 HydrophobicContact CZ-CD2 4.33Å; F201-F258 AromaticContact CZ-CE1 3.37Å; F201-F258 HydrophobicContact CZ-CE1 3.37Å; F201-F258 HydrophobicContact CZ-CE2 4.13Å; F201-F258 HydrophobicContact CZ-CG 4.09Å; F201-F258 AromaticContact CZ-CZ 3.66Å; F201-F258 HydrophobicContact CZ-CZ 3.66Å; P214-F258 HydrophobicContact CB-CD1 4.41Å; H215-F258 CarbonylContact O-C 3.52Å; H215-F258 WeakPolarHBondContact O-CA 3.38Å; F216-F258 HydrophobicContact CB-CD1 3.63Å; F216-F258 HydrophobicContact CB-CD2 4.14Å; F216-F258 HydrophobicContact CB-CE1 3.61Å; F216-F258 HydrophobicContact CB-CE2 4.12Å; F216-F258 HydrophobicContact CB-CG 3.9Å; F216-F258 HydrophobicContact CB-CZ 3.86Å; F216-F258 AromaticContact CD1-CE1 3.84Å; F216-F258 HydrophobicContact CD1-CE1 3.84Å; F216-F258 HydrophobicContact CD1-CZ 4.16Å; F216-F258 HydrophobicContact CG-CD1 4.47Å; F216-F258 AromaticContact CG-CE1 3.98Å; F216-F258 HydrophobicContact CG-CE1 3.98Å; F216-F258 HydrophobicContact CG-CZ 4.06Å; F242-F258 HydrophobicContact CD1-CE1 4.45Å; F242-F258 HydrophobicContact CD2-CE1 4.31Å; F242-F258 HydrophobicContact CD2-CZ 4.47Å; F242-F258 HydrophobicContact CE1-CE1 4.21Å; F242-F258 HydrophobicContact CE2-CE1 4.08Å; F242-F258 HydrophobicContact CG-CE1 4.48Å; F242-F258 HydrophobicContact CZ-CE1 4.03Å; V256-F258 HydrophobicContact CG1-CD2 4.04Å; V256-F258 HydrophobicContact CG1-CE2 3.58Å; V256-F258 HydrophobicContact CG1-CZ 4.42Å; F258-M271 HydrophobicContact CB-CB 4.14Å; F258-M271 HydrophobicContact CB-SD 4.36Å; F258-M271 PolarHBondContact O-N 2.9Å; F258-F272 HydrophobicContact CB-CD1 4.29Å; F258-F272 HydrophobicContact CB-CE1 4.03Å; F258-F272 HydrophobicContact CB-CE2 4.5Å; F258-F272 HydrophobicContact CB-CZ 4.14Å; F258-F272 HydrophobicContact CD2-CD2 4.4Å; F258-F272 HydrophobicContact CD2-CE1 4.29Å; F258-F272 AromaticContact CD2-CE2 3.61Å; F258-F272 HydrophobicContact CD2-CE2 3.61Å; F258-F272 AromaticContact CD2-CZ 3.54Å; F258-F272 HydrophobicContact CD2-CZ 3.54Å; F258-F272 HydrophobicContact CE2-CE2 4.15Å; F258-F272 HydrophobicContact CE2-CZ 4.04Å; F258-F272 HydrophobicContact CG-CE1 4.16Å; F258-F272 HydrophobicContact CG-CE2 4.28Å; F258-F272 AromaticContact CG-CZ 3.85Å; F258-F272 HydrophobicContact CG-CZ 3.85Å; F258-F272 PolarHBondContact N-O 3.19Å; F258-F274 HydrophobicContact CE2-CE1 4.43Å
259F96.6Very high88.8Confident30 Ų3063.7 Ų63.713%0.13231%0.311CS..EExtended strand (participates in β ladder)trans-133.2145.2179.6-54.4-90.5000110.5P214 H215 V217 E257 K268 E269 K270P214-F259 CarbonylContact C-O 3.32Å; P214-F259 WeakPolarHBondContact CA-O 3.16Å; H215-F259 PolarHBondContact N-O 3.22Å; H215-F259 PolarHBondContact O-N 3.2Å; V217-F259 HydrophobicContact CG2-CE2 4.17Å; E257-F259 HydrophobicContact CB-CE2 4.18Å; E257-F259 HydrophobicContact CB-CZ 4.37Å; E257-F259 VanDerWaalsContact CD-CZ 3.43Å; E257-F259 HydrophobicContact CG-CD2 4.46Å; E257-F259 HydrophobicContact CG-CE1 4.14Å; E257-F259 HydrophobicContact CG-CE2 3.64Å; E257-F259 HydrophobicContact CG-CZ 3.46Å; E257-F259 VanDerWaalsContact CG-CZ 3.46Å; E257-F259 WeakPolarHBondContact OE2-CZ 3.49Å; F259-K268 HydrophobicContact CB-CB 4.25Å; F259-K268 HydrophobicContact CD1-CB 4.27Å; F259-E269 CarbonylContact C-O 3.02Å; F259-E269 VanDerWaalsContact CA-O 3.28Å; F259-E269 WeakPolarHBondContact CA-O 3.1Å; F259-K270 HydrophobicContact CD1-CB 4.21Å; F259-K270 HydrophobicContact CE1-CB 4.34Å
260H94.7Very high88.7Confident5 Ų561.4 Ų61.42%0.02329%0.292CS..EExtended strand (participates in β ladder)trans-95.1119.9168.4174.155.2000108.9F207 T208 N213 E269 M271F207-H260 HydrophobicContact CB-CB 4.09Å; F207-H260 HydrophobicContact CD1-CB 3.93Å; F207-H260 HydrophobicContact CG-CB 3.95Å; T208-H260 PolarHBondContact OG1-NE2 3.09Å; T208-H260 VanDerWaalsContact OG1-NE2 3.09Å; N213-H260 PolarHBondContact N-CE1 2.73Å; N213-H260 PolarHBondContact N-ND1 2.73Å; N213-H260 WeakPolarHBondContact O-CA 3.42Å; H260-E269 HydrophobicContact CB-CB 4.36Å; H260-E269 PolarHBondContact N-O 3.1Å; H260-E269 PolarHBondContact O-N 3.03Å; H260-M271 HydrophobicContact CB-CG 3.77Å; H260-M271 HydrophobicContact CB-SD 3.99Å
261K89.9Confident88.7Confident63 Ų6361.3 Ų61.327%0.27429%0.291SS..EExtended strand (participates in β ladder)trans-96.1116.4176.8-168.7179.2-179.2-175.40110.5N213 H215N213-K261 WeakPolarHBondContact CB-O 3.02Å; N213-K261 PolarHBondContact ND2-O 3.17Å; N213-K261 PolarHBondContact O-N 2.83Å; H215-K261 VanDerWaalsContact CE1-CB 3.46Å; H215-K261 WeakPolarHBondContact CE1-CB 3.2Å; H215-K261 WeakPolarHBondContact NE2-CD 3.28Å
262Q82.5Confident88.8Confident66 Ų6659.6 Ų59.631%0.30828%0.279SS..PPolyproline II helixtrans-80.7128.2174.2-69-179.7-500110.7K264 K267Q262-K264 PolarHBondContact O-N 2.77Å; Q262-K264 VanDerWaalsContact O-N 3.14Å; Q262-K267 PolarHBondContact N-O 2.93Å
263N71.5Confident88.8Confident146 Ų14659.4 Ų59.478%0.78128%0.276SS*.THydrogen-bonded Turntrans-61.7-24.5-172.9-68.9-12000114.3N213N213-N263 PolarHBondContact ND2-OD1 3Å
264K66.3Low88.8Confident205 Ų20559 Ų5989%0.89127%0.274SS*.THydrogen-bonded Turntrans-101.2-16.4-171.4-69.4-172.3177-177.60115.8Q262Q262-K264 PolarHBondContact O-N 2.77Å; Q262-K264 VanDerWaalsContact O-N 3.14Å
265M62.8Low88.8Confident143 Ų14360.3 Ų60.370%0.70428%0.279SS*.THydrogen-bonded Turntrans-127.72.4-167-78.6-174.5163.100115.5K267M265-K267 HydrophobicContact CB-CB 4.44Å; M265-K267 PolarHBondContact O-N 2.89Å
266M65.1Low88.8Confident155 Ų15558.9 Ų58.976%0.76427%0.273SS*.  trans52.54.5-174.7-67.5-69.5-88.900115.2K268M266-K268 PolarHBondContact O-N 2.83Å
267K76.3Confident88.8Confident150 Ų15058.9 Ų58.965%0.65227%0.273SS*.PPolyproline II helixtrans-77.3123.2175.7-165.8174.3-178.21790108.3Q262 M265Q262-K267 PolarHBondContact N-O 2.93Å; M265-K267 HydrophobicContact CB-CB 4.44Å; M265-K267 PolarHBondContact O-N 2.89Å
268K84.3Confident88.8Confident124 Ų12458.5 Ų58.554%0.53927%0.271SS..EExtended strand (participates in β ladder)trans-90.5121.4169.8-65.5-179.7-176.2177.60107.5F259 M266F259-K268 HydrophobicContact CB-CB 4.25Å; F259-K268 HydrophobicContact CD1-CB 4.27Å; M266-K268 PolarHBondContact O-N 2.83Å
269E92.9Very high88.7Confident65 Ų6558.9 Ų58.930%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-95.5121.6172.3-176.9-176.8173.600108.8F207 F259 H260 M271F207-E269 HydrophobicContact CD1-CG 4.39Å; F207-E269 HydrophobicContact CE1-CG 4.31Å; F259-E269 CarbonylContact C-O 3.02Å; F259-E269 VanDerWaalsContact CA-O 3.28Å; F259-E269 WeakPolarHBondContact CA-O 3.1Å; H260-E269 HydrophobicContact CB-CB 4.36Å; H260-E269 PolarHBondContact N-O 3.1Å; H260-E269 PolarHBondContact O-N 3.03Å; E269-M271 PolarHBondContact O-N 2.96Å
270K95.5Very high88.7Confident41 Ų4157.8 Ų57.818%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-62.5123.7177.3-178.8176.6-179.3176.60110.2E257 F259 H273 K335 D393E257-K270 WeakPolarHBondContact OE1-CE 3Å; E257-K270 IonicContact OE1-NZ 2.71Å; E257-K270 PolarHBondContact OE1-NZ 2.87Å; F259-K270 HydrophobicContact CD1-CB 4.21Å; F259-K270 HydrophobicContact CE1-CB 4.34Å; K270-H273 WeakPolarHBondContact CE-ND1 3.41Å; K270-H273 PolarHBondContact NZ-CE1 2.8Å; K270-H273 PolarHBondContact NZ-ND1 2.71Å; K270-H273 VanDerWaalsContact NZ-ND1 3.18Å; K270-K335 HydrophobicContact CB-CD 4.44Å; K270-K335 HydrophobicContact CD-CD 4.31Å; K270-K335 HydrophobicContact CG-CD 4.08Å; K270-K335 WeakPolarHBondContact O-CE 3.42Å; K270-K335 PolarHBondContact O-NZ 2.91Å; K270-D393 IonicContact NZ-OD2 3.42Å; K270-D393 PolarHBondContact NZ-OD2 3.21Å
271M97.8Very high88.6Confident1 Ų158 Ų581%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-84.2-64.7178.3-65.2172.465.800110.2P205 F207 C212 P214 F258 H260 E269 F345P205-M271 HydrophobicContact CB-CE 3.54Å; P205-M271 HydrophobicContact CG-CE 3.62Å; F207-M271 HydrophobicContact CD1-CG 4.43Å; F207-M271 HydrophobicContact CD2-CE 3.99Å; F207-M271 HydrophobicContact CD2-CG 4.17Å; F207-M271 HydrophobicContact CE1-CB 4.42Å; F207-M271 HydrophobicContact CE1-CG 3.98Å; F207-M271 HydrophobicContact CE2-CB 4.03Å; F207-M271 HydrophobicContact CE2-CE 3.78Å; F207-M271 HydrophobicContact CE2-CG 3.7Å; F207-M271 HydrophobicContact CE2-SD 4.48Å; F207-M271 HydrophobicContact CZ-CB 3.75Å; F207-M271 HydrophobicContact CZ-CG 3.61Å; C212-M271 HydrophobicContact CB-CE 4.19Å; P214-M271 HydrophobicContact CB-SD 4.22Å; F258-M271 HydrophobicContact CB-CB 4.14Å; F258-M271 HydrophobicContact CB-SD 4.36Å; F258-M271 PolarHBondContact O-N 2.9Å; H260-M271 HydrophobicContact CB-CG 3.77Å; H260-M271 HydrophobicContact CB-SD 3.99Å; E269-M271 PolarHBondContact O-N 2.96Å; M271-F345 HydrophobicContact CB-CZ 4.13Å; M271-F345 HydrophobicContact CE-CE1 4.41Å
272F98.6Very high87.9Confident0 Ų056 Ų560%026%0.263CS..EExtended strand (participates in β ladder)trans-164170.6178.565.6-90.8000109.4F201 F258 F274 L333 D334 A336 F345 F349 V351F201-F272 HydrophobicContact CE1-CE1 4.36Å; F201-F272 AromaticContact CE1-CZ 3.69Å; F201-F272 HydrophobicContact CE1-CZ 3.69Å; F201-F272 HydrophobicContact CE2-CE1 4.32Å; F201-F272 HydrophobicContact CE2-CZ 4.42Å; F201-F272 AromaticContact CZ-CE1 3.77Å; F201-F272 HydrophobicContact CZ-CE1 3.77Å; F201-F272 AromaticContact CZ-CZ 3.48Å; F201-F272 HydrophobicContact CZ-CZ 3.48Å; F201-F272 VanDerWaalsContact CZ-CZ 3.48Å; F258-F272 HydrophobicContact CB-CD1 4.29Å; F258-F272 HydrophobicContact CB-CE1 4.03Å; F258-F272 HydrophobicContact CB-CE2 4.5Å; F258-F272 HydrophobicContact CB-CZ 4.14Å; F258-F272 HydrophobicContact CD2-CD2 4.4Å; F258-F272 HydrophobicContact CD2-CE1 4.29Å; F258-F272 AromaticContact CD2-CE2 3.61Å; F258-F272 HydrophobicContact CD2-CE2 3.61Å; F258-F272 AromaticContact CD2-CZ 3.54Å; F258-F272 HydrophobicContact CD2-CZ 3.54Å; F258-F272 HydrophobicContact CE2-CE2 4.15Å; F258-F272 HydrophobicContact CE2-CZ 4.04Å; F258-F272 HydrophobicContact CG-CE1 4.16Å; F258-F272 HydrophobicContact CG-CE2 4.28Å; F258-F272 AromaticContact CG-CZ 3.85Å; F258-F272 HydrophobicContact CG-CZ 3.85Å; F258-F272 PolarHBondContact N-O 3.19Å; F272-F274 HydrophobicContact CD2-CD1 4.25Å; F272-F274 HydrophobicContact CE2-CD1 4.03Å; F272-F274 HydrophobicContact CE2-CE1 4Å; F272-L333 HydrophobicContact CB-CB 4.37Å; F272-L333 HydrophobicContact CD2-CB 4.1Å; F272-L333 HydrophobicContact CD2-CD1 3.89Å; F272-L333 HydrophobicContact CD2-CD2 3.91Å; F272-L333 HydrophobicContact CD2-CG 4.19Å; F272-L333 HydrophobicContact CE2-CD1 3.95Å; F272-L333 HydrophobicContact CE2-CD2 3.96Å; F272-L333 HydrophobicContact CE2-CG 4.47Å; F272-L333 HydrophobicContact CG-CB 4.44Å; F272-L333 HydrophobicContact CG-CD1 4.27Å; F272-L333 HydrophobicContact CZ-CD1 4.38Å; F272-D334 VanDerWaalsContact CA-O 3.26Å; F272-D334 WeakPolarHBondContact CA-O 3.35Å; F272-D334 VanDerWaalsContact CB-O 3.23Å; F272-D334 WeakPolarHBondContact CB-O 3.38Å; F272-A336 HydrophobicContact CB-CB 3.69Å; F272-A336 HydrophobicContact CG-CB 4.31Å; F272-F345 HydrophobicContact CB-CZ 4.45Å; F272-F345 AromaticContact CD1-CE1 3.61Å; F272-F345 HydrophobicContact CD1-CE1 3.61Å; F272-F345 AromaticContact CD1-CZ 3.71Å; F272-F345 HydrophobicContact CD1-CZ 3.71Å; F272-F345 HydrophobicContact CE1-CE1 4.02Å; F272-F349 HydrophobicContact CD1-CE1 4.33Å; F272-F349 AromaticContact CE1-CE1 3.83Å; F272-F349 HydrophobicContact CE1-CE1 3.83Å; F272-F349 AromaticContact CE1-CZ 3.75Å; F272-F349 HydrophobicContact CE1-CZ 3.75Å; F272-F349 HydrophobicContact CZ-CE1 4.07Å; F272-F349 AromaticContact CZ-CZ 4Å; F272-F349 HydrophobicContact CZ-CZ 4Å; F272-V351 HydrophobicContact CE2-CG2 3.9Å; F272-V351 HydrophobicContact CZ-CG2 3.7Å
273H98.8Very high86.7Confident4 Ų454.5 Ų54.52%0.01927%0.265CS..EExtended strand (participates in β ladder)trans-148.7172.6169.764.3-68.1000110.3V256 E257 K270 D334 D393V256-H273 CarbonylContact O-C 3.54Å; V256-H273 WeakPolarHBondContact O-CA 3.14Å; V256-H273 VanDerWaalsContact O-CB 3.28Å; V256-H273 WeakPolarHBondContact O-CB 3.46Å; E257-H273 HydrophobicContact CB-CB 3.93Å; E257-H273 HydrophobicContact CG-CB 3.93Å; K270-H273 WeakPolarHBondContact CE-ND1 3.41Å; K270-H273 PolarHBondContact NZ-CE1 2.8Å; K270-H273 PolarHBondContact NZ-ND1 2.71Å; K270-H273 VanDerWaalsContact NZ-ND1 3.18Å; H273-D334 IonicContact CD2-OD2 3.51Å; H273-D334 WeakPolarHBondContact CE1-CB 3.44Å; H273-D334 IonicContact CE1-OD2 3.68Å; H273-D334 PolarHBondContact N-O 3.45Å; H273-D334 VanDerWaalsContact N-O 3.16Å; H273-D334 WeakPolarHBondContact ND1-CB 3.34Å; H273-D334 IonicContact NE2-OD2 3.67Å; H273-D334 PolarHBondContact NE2-OD2 2.82Å; H273-D334 WeakPolarHBondContact O-CA 3.33Å; H273-D334 VanDerWaalsContact O-CB 3.3Å; H273-D334 WeakPolarHBondContact O-CB 3.48Å; H273-D334 PolarHBondContact O-N 3.42Å; H273-D393 IonicContact CE1-OD2 2.74Å; H273-D393 PolarHBondContact CE1-OD2 2.73Å
274F98.8Very high85.5Confident0 Ų051.4 Ų51.40%025%0.252CS..EExtended strand (participates in β ladder)trans-156.7156172.354.9-93.2000110.6K255 V256 F258 F272 I276 L328 L333 V351 L353K255-F274 WeakPolarHBondContact CA-O 3.42Å; V256-F274 HydrophobicContact CB-CD2 4.37Å; V256-F274 HydrophobicContact CB-CE1 3.89Å; V256-F274 HydrophobicContact CB-CE2 3.72Å; V256-F274 HydrophobicContact CB-CZ 3.46Å; V256-F274 VanDerWaalsContact CB-CZ 3.46Å; V256-F274 HydrophobicContact CG1-CE1 4.29Å; V256-F274 HydrophobicContact CG1-CZ 4.04Å; V256-F274 HydrophobicContact CG2-CE2 3.64Å; V256-F274 HydrophobicContact CG2-CZ 3.69Å; V256-F274 PolarHBondContact N-O 3.18Å; V256-F274 PolarHBondContact O-N 2.9Å; F258-F274 HydrophobicContact CE2-CE1 4.43Å; F272-F274 HydrophobicContact CD2-CD1 4.25Å; F272-F274 HydrophobicContact CE2-CD1 4.03Å; F272-F274 HydrophobicContact CE2-CE1 4Å; F274-I276 HydrophobicContact CD2-CG2 4.03Å; F274-I276 HydrophobicContact CE2-CG2 4.47Å; F274-L328 HydrophobicContact CB-CD1 3.99Å; F274-L328 HydrophobicContact CD1-CD1 4.02Å; F274-L328 HydrophobicContact CD2-CD1 3.58Å; F274-L328 HydrophobicContact CE1-CD1 4.37Å; F274-L328 HydrophobicContact CE2-CD1 3.97Å; F274-L328 HydrophobicContact CG-CD1 3.59Å; F274-L328 HydrophobicContact CZ-CD1 4.34Å; F274-L333 HydrophobicContact CB-CD2 4.2Å; F274-L333 HydrophobicContact CD1-CD2 3.55Å; F274-L333 HydrophobicContact CE1-CD2 4.26Å; F274-L333 HydrophobicContact CG-CD2 4.16Å; F274-V351 HydrophobicContact CE1-CG1 4.43Å; F274-L353 HydrophobicContact CE2-CD1 3.59Å; F274-L353 HydrophobicContact CE2-CD2 4.21Å; F274-L353 HydrophobicContact CZ-CD1 3.88Å; F274-L353 HydrophobicContact CZ-CD2 3.63Å; F274-L353 HydrophobicContact CZ-CG 4.4Å
275W98.8Very high84.5Confident29 Ų2950.5 Ų50.511%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-112.9137167.4-73.485.5000111N95 P96 S171 R174 Y175 D253 I254 K255N95-W275 PolarHBondContact OD1-NE1 2.88Å; P96-W275 VanDerWaalsContact CD-CD1 3.43Å; P96-W275 HydrophobicContact CG-CB 3.69Å; P96-W275 HydrophobicContact CG-CD2 4.11Å; P96-W275 HydrophobicContact CG-CG 3.63Å; S171-W275 PolarHBondContact OG-N 3.16Å; R174-W275 WeakPolarHBondContact CD-O 3.26Å; R174-W275 PolarHBondContact NH1-O 2.81Å; Y175-W275 HydrophobicContact CE2-CB 3.89Å; D253-W275 HydrophobicContact CB-CE3 4.29Å; D253-W275 HydrophobicContact CB-CZ3 4.15Å; I254-W275 CarbonylContact O-C 3.57Å; I254-W275 VanDerWaalsContact O-CA 3.32Å; I254-W275 WeakPolarHBondContact O-CA 3.23Å; K255-W275 HydrophobicContact CB-CD2 3.68Å; K255-W275 HydrophobicContact CB-CE3 3.86Å; K255-W275 HydrophobicContact CB-CG 4.34Å; K255-W275 HydrophobicContact CB-CH2 3.87Å; K255-W275 HydrophobicContact CB-CZ2 3.72Å; K255-W275 HydrophobicContact CB-CZ3 3.94Å; K255-W275 HydrophobicContact CD-CH2 4.45Å; K255-W275 HydrophobicContact CD-CZ2 3.62Å; K255-W275 HydrophobicContact CG-CD2 4.14Å; K255-W275 HydrophobicContact CG-CG 4.45Å; K255-W275 HydrophobicContact CG-CZ2 4.06Å
276I98.6Very high83.4Confident0 Ų049.1 Ų49.10%024%0.243CC..EExtended strand (participates in β ladder)trans-132.9162.8172.460.5173.5000109.2I254 F274 I281 L326 L328 L353 F355I254-I276 HydrophobicContact CB-CG1 4.15Å; I254-I276 PolarHBondContact N-O 3.01Å; I254-I276 PolarHBondContact O-N 2.81Å; F274-I276 HydrophobicContact CD2-CG2 4.03Å; F274-I276 HydrophobicContact CE2-CG2 4.47Å; I276-I281 HydrophobicContact CD1-CD1 4.18Å; I276-L326 HydrophobicContact CB-CD2 4.31Å; I276-L326 HydrophobicContact CD1-CD2 4.21Å; I276-L326 HydrophobicContact CG2-CD2 3.7Å; I276-L328 HydrophobicContact CG2-CD1 4.31Å; I276-L353 HydrophobicContact CD1-CD1 3.79Å; I276-F355 HydrophobicContact CD1-CE2 4.47Å; I276-F355 HydrophobicContact CD1-CZ 3.84Å
277N98.5Very high81.8Confident0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-119.9132.5169-173.9-62.7000109.6Y178 Y189 G252 D253 F279 F280Y178-N277 HydrophobicContact CD2-CB 4.21Å; Y178-N277 HydrophobicContact CE2-CB 3.81Å; Y189-N277 WeakPolarHBondContact CE2-OD1 3.45Å; Y189-N277 PolarHBondContact OH-ND2 2.78Å; Y189-N277 PolarHBondContact OH-OD1 2.64Å; G252-N277 VanDerWaalsContact O-CA 3.29Å; G252-N277 WeakPolarHBondContact O-CA 3.48Å; D253-N277 WeakPolarHBondContact OD1-CB 3.01Å; D253-N277 PolarHBondContact OD1-ND2 3.29Å; N277-F279 PolarHBondContact O-N 3.25Å; N277-F279 VanDerWaalsContact O-N 3.16Å; N277-F279 WeakPolarHBondContact OD1-CB 3.24Å; N277-F279 PolarHBondContact OD1-N 3.07Å; N277-F280 HydrophobicContact CB-CD2 3.89Å; N277-F280 HydrophobicContact CB-CE2 4.12Å; N277-F280 PolarHBondContact O-N 3.47Å; N277-F280 VanDerWaalsContact O-N 3.12Å
278T97.7Very high79.9Confident2 Ų244.4 Ų44.41%0.01224%0.244CC..G310 helixtrans-62.4-23.6-172.657.50000114.3V192 L194 V250 G252 I254 F280 I281V192-T278 WeakPolarHBondContact O-CB 3.25Å; V192-T278 PolarHBondContact O-OG1 3.39Å; L194-T278 HydrophobicContact CD1-CG2 4.29Å; V250-T278 HydrophobicContact CB-CG2 4.36Å; V250-T278 HydrophobicContact CG2-CG2 3.98Å; G252-T278 PolarHBondContact N-OG1 3.4Å; G252-T278 PolarHBondContact O-N 2.74Å; I254-T278 HydrophobicContact CG1-CG2 4.1Å; T278-F280 PolarHBondContact O-N 3.48Å; T278-I281 HydrophobicContact CG2-CD1 4.31Å; T278-I281 PolarHBondContact O-N 3.01Å
279F96.6Very high77.5Confident7 Ų745.3 Ų45.33%0.03126%0.255CS..G310 helixtrans-61.4-27.9175.9-179.7-86.6000113.3F181 L182 L187 Y189 K190 V192 N277F181-F279 HydrophobicContact CE1-CE1 4.49Å; L182-F279 HydrophobicContact CD2-CD1 4.29Å; L182-F279 HydrophobicContact CD2-CE1 3.57Å; L182-F279 HydrophobicContact CD2-CZ 3.97Å; L187-F279 HydrophobicContact CB-CZ 4.41Å; L187-F279 HydrophobicContact CD1-CE1 4.32Å; L187-F279 HydrophobicContact CD1-CZ 4.19Å; Y189-F279 HydrophobicContact CD2-CB 4.01Å; Y189-F279 HydrophobicContact CD2-CD1 4.44Å; Y189-F279 HydrophobicContact CD2-CD2 4.04Å; Y189-F279 AromaticContact CD2-CG 3.92Å; Y189-F279 HydrophobicContact CD2-CG 3.92Å; Y189-F279 HydrophobicContact CE2-CB 3.58Å; Y189-F279 HydrophobicContact CE2-CD2 4.29Å; Y189-F279 HydrophobicContact CE2-CG 4.01Å; K190-F279 HydrophobicContact CG-CD2 4.4Å; K190-F279 HydrophobicContact CG-CE2 4.23Å; K190-F279 VanDerWaalsContact O-CD2 3.3Å; K190-F279 WeakPolarHBondContact O-CD2 3.28Å; V192-F279 HydrophobicContact CG2-CB 4.18Å; V192-F279 HydrophobicContact CG2-CD2 3.82Å; V192-F279 HydrophobicContact CG2-CG 4.41Å; N277-F279 PolarHBondContact O-N 3.25Å; N277-F279 VanDerWaalsContact O-N 3.16Å; N277-F279 WeakPolarHBondContact OD1-CB 3.24Å; N277-F279 PolarHBondContact OD1-N 3.07Å
280F96.2Very high74.8Confident7 Ų752.8 Ų52.83%0.03128%0.281CS..G310 helixtrans-102.214.6-175.6-53.5-91.9000113.1L99 Y178 F181 L182 N277 T278L99-F280 HydrophobicContact CD1-CE2 4.29Å; L99-F280 HydrophobicContact CD1-CZ 4.41Å; L99-F280 HydrophobicContact CD2-CE2 3.55Å; L99-F280 HydrophobicContact CD2-CZ 3.95Å; Y178-F280 VanDerWaalsContact CB-CZ 3.48Å; Y178-F280 HydrophobicContact CD1-CB 3.97Å; Y178-F280 AromaticContact CD1-CD1 3.67Å; Y178-F280 HydrophobicContact CD1-CD1 3.67Å; Y178-F280 AromaticContact CD1-CD2 3.7Å; Y178-F280 HydrophobicContact CD1-CD2 3.7Å; Y178-F280 HydrophobicContact CD1-CE1 4.02Å; Y178-F280 HydrophobicContact CD1-CE2 4.05Å; Y178-F280 AromaticContact CD1-CG 3.49Å; Y178-F280 HydrophobicContact CD1-CG 3.49Å; Y178-F280 VanDerWaalsContact CD1-CG 3.49Å; Y178-F280 HydrophobicContact CD1-CZ 4.21Å; Y178-F280 AromaticContact CD2-CD2 3.72Å; Y178-F280 HydrophobicContact CD2-CD2 3.72Å; Y178-F280 AromaticContact CD2-CE2 3.73Å; Y178-F280 HydrophobicContact CD2-CE2 3.73Å; Y178-F280 HydrophobicContact CD2-CG 4.37Å; Y178-F280 HydrophobicContact CD2-CZ 4.39Å; Y178-F280 HydrophobicContact CE1-CB 3.46Å; Y178-F280 VanDerWaalsContact CE1-CB 3.46Å; Y178-F280 HydrophobicContact CE1-CD1 4.1Å; Y178-F280 AromaticContact CE1-CD2 3.79Å; Y178-F280 HydrophobicContact CE1-CD2 3.79Å; Y178-F280 AromaticContact CE1-CG 3.52Å; Y178-F280 HydrophobicContact CE1-CG 3.52Å; Y178-F280 AromaticContact CE2-CD2 3.83Å; Y178-F280 HydrophobicContact CE2-CD2 3.83Å; Y178-F280 HydrophobicContact CE2-CE2 4.28Å; Y178-F280 HydrophobicContact CE2-CG 4.41Å; Y178-F280 HydrophobicContact CG-CD1 4.14Å; Y178-F280 AromaticContact CG-CD2 3.63Å; Y178-F280 HydrophobicContact CG-CD2 3.63Å; Y178-F280 HydrophobicContact CG-CE1 4.08Å; Y178-F280 AromaticContact CG-CE2 3.57Å; Y178-F280 HydrophobicContact CG-CE2 3.57Å; Y178-F280 AromaticContact CG-CG 3.92Å; Y178-F280 HydrophobicContact CG-CG 3.92Å; Y178-F280 AromaticContact CG-CZ 3.82Å; Y178-F280 HydrophobicContact CG-CZ 3.82Å; Y178-F280 AromaticContact CZ-CD2 3.83Å; Y178-F280 AromaticContact CZ-CG 3.98Å; Y178-F280 WeakPolarHBondContact O-CE1 3.37Å; F181-F280 HydrophobicContact CB-CE1 4.2Å; F181-F280 AromaticContact CD1-CD1 3.89Å; F181-F280 HydrophobicContact CD1-CD1 3.89Å; F181-F280 AromaticContact CD1-CE1 3.64Å; F181-F280 HydrophobicContact CD1-CE1 3.64Å; F181-F280 HydrophobicContact CE1-CD1 4.36Å; F181-F280 HydrophobicContact CE1-CE1 4.4Å; F181-F280 HydrophobicContact CG-CD1 4.36Å; F181-F280 HydrophobicContact CG-CE1 4.21Å; L182-F280 HydrophobicContact CD1-CZ 4.25Å; L182-F280 HydrophobicContact CD2-CE1 4.27Å; L182-F280 HydrophobicContact CD2-CZ 4.12Å; L182-F280 HydrophobicContact CG-CE1 4.25Å; L182-F280 HydrophobicContact CG-CZ 3.99Å; N277-F280 HydrophobicContact CB-CD2 3.89Å; N277-F280 HydrophobicContact CB-CE2 4.12Å; N277-F280 PolarHBondContact O-N 3.47Å; N277-F280 VanDerWaalsContact O-N 3.12Å; T278-F280 PolarHBondContact O-N 3.48Å
281I93.6Very high72.2Confident9 Ų955.1 Ų55.15%0.04630%0.295CS..SBendtrans-81119175.5-65.3172.5000108L194 I276 T278 L324 L326 F355L194-I281 HydrophobicContact CD1-CB 4.03Å; L194-I281 HydrophobicContact CD1-CD1 3.56Å; L194-I281 HydrophobicContact CD1-CG1 4.33Å; L194-I281 HydrophobicContact CD1-CG2 4.29Å; I276-I281 HydrophobicContact CD1-CD1 4.18Å; T278-I281 HydrophobicContact CG2-CD1 4.31Å; T278-I281 PolarHBondContact O-N 3.01Å; I281-L324 HydrophobicContact CG2-CB 3.74Å; I281-L324 HydrophobicContact CG2-CD1 4.34Å; I281-L326 HydrophobicContact CG1-CD2 4.47Å; I281-F355 HydrophobicContact CD1-CD1 4.07Å; I281-F355 HydrophobicContact CD1-CD2 3.72Å; I281-F355 HydrophobicContact CD1-CE1 3.89Å; I281-F355 HydrophobicContact CD1-CE2 3.5Å; I281-F355 HydrophobicContact CD1-CG 4Å; I281-F355 HydrophobicContact CD1-CZ 3.61Å; I281-F355 HydrophobicContact CG1-CD2 4.5Å; I281-F355 HydrophobicContact CG1-CE2 4.32Å; I281-F355 HydrophobicContact CG2-CD2 3.75Å; I281-F355 HydrophobicContact CG2-CE2 4.27Å; I281-F355 HydrophobicContact CG2-CG 4.35Å
282P74.2Confident69.3Low23 Ų2363.2 Ų63.215%0.14933%0.332CS..PPolyproline II helixtrans-68.3143.2-168.126.4-34.7000113.5F296 L324P282-F296 HydrophobicContact CB-CB 4.12Å; P282-F296 HydrophobicContact CB-CD1 4.39Å; P282-L324 WeakPolarHBondContact O-CB 3.36Å
283G58.7Low66.4Low33 Ų3368.1 Ų68.134%0.3436%0.359SS..PPolyproline II helixtrans-70.5147.916700000112.6E285G283-E285 PolarHBondContact O-N 3.43Å
284P45.6Very low64Low81 Ų8169.3 Ų69.353%0.52637%0.372SS..SBendtrans-67.6-29.6-17918.1-28.6000114.8L324P284-L324 HydrophobicContact CG-CD2 4.27Å
285E45Very low61.2Low186 Ų18669.9 Ų69.987%0.86938%0.376SS*.  trans-155.3100.6175.8-66.7-169.5171.800111.4G283G283-E285 PolarHBondContact O-N 3.43Å
286E39.7Very low58.6Low114 Ų11470.9 Ų70.953%0.53338%0.381SS..  trans-130.7102.5159-76.4-174.2-154.600108.7S295E286-S295 WeakPolarHBondContact OE2-CB 3.45Å; E286-S295 PolarHBondContact OE2-OG 2.93Å
287S32.4Very low55.5Low105 Ų10574.3 Ų74.373%0.73440%0.403SS*.  trans-54.7139.517150.90000110.9D289S287-D289 PolarHBondContact O-N 3.24Å
288S35.5Very low52.7Low101 Ų10178 Ų7871%0.70643%0.426SS*.THydrogen-bonded Turntrans-518.1-171.350.70000119.8
289D34.8Very low50Low144 Ų14483.4 Ų83.477%0.7745%0.454SS*.THydrogen-bonded Turntrans-112.1-0.5-167.8-73.4-16.1000115.8S287S287-D289 PolarHBondContact O-N 3.24Å
290R36.1Very low47.3Very low221 Ų22191 Ų9183%0.83448%0.483SS*.  trans-147.880.7171.7-64.9-172.9-175.2-176.41.2112.1E292R290-E292 PolarHBondContact O-N 3Å; R290-E292 VanDerWaalsContact O-N 3.12Å
291L39.9Very low44.6Very low90 Ų9096.8 Ų96.847%0.47151%0.514SS..  trans-7892.1169.5-80.1107.8000110.2S295L291-S295 WeakPolarHBondContact CD2-O 3.41Å
292E37.1Very low42.2Very low171 Ų171104 Ų10480%0.79955%0.551SS**  trans-95.6138151.9-78.7-173169.700109.1R290 G294R290-E292 PolarHBondContact O-N 3Å; R290-E292 VanDerWaalsContact O-N 3.12Å; E292-G294 PolarHBondContact O-N 3.43Å
293N38.8Very low40.1Very low103 Ų103107.1 Ų107.155%0.55157%0.574SS**SBendtrans11.193.3171.8-72.6-28.2000118.1
294G48.4Very low38.8Very low29 Ų29112.4 Ų112.430%0.29959%0.594SS.*SBendtrans109.415.5154.300000117.8E292E292-G294 PolarHBondContact O-N 3.43Å
295S38.7Very low38.2Very low12 Ų12120.1 Ų120.18%0.08461%0.612CS.*  trans-101.9142.5175.227.20000113.3E286 L291E286-S295 WeakPolarHBondContact OE2-CB 3.45Å; E286-S295 PolarHBondContact OE2-OG 2.93Å; L291-S295 WeakPolarHBondContact CD2-O 3.41Å
296F44.8Very low37.4Very low50 Ų50118.7 Ų118.722%0.21961%0.608CS.*  trans-115.9129.6-165.2-164.8-101.3000110.8F181 P282 L299F181-F296 HydrophobicContact CD2-CD2 4.12Å; F181-F296 AromaticContact CD2-CE2 4Å; F181-F296 HydrophobicContact CD2-CE2 4Å; F181-F296 AromaticContact CE2-CD2 3.63Å; F181-F296 HydrophobicContact CE2-CD2 3.63Å; F181-F296 AromaticContact CE2-CE2 3.98Å; F181-F296 HydrophobicContact CE2-CE2 3.98Å; F181-F296 AromaticContact CZ-CD2 3.93Å; F181-F296 HydrophobicContact CZ-CD2 3.93Å; P282-F296 HydrophobicContact CB-CB 4.12Å; P282-F296 HydrophobicContact CB-CD1 4.39Å; F296-L299 HydrophobicContact CE1-CD1 4.43Å; F296-L299 HydrophobicContact CE1-CG 3.96Å; F296-L299 HydrophobicContact CZ-CD1 4.16Å; F296-L299 HydrophobicContact CZ-CD2 4.39Å; F296-L299 HydrophobicContact CZ-CG 3.76Å
297P32.9Very low36.9Very low72 Ų72122.5 Ų122.547%0.46862%0.623SS.*  trans-78.2133.4154.85.511.7000108.7
298T39Very low36.7Very low77 Ų77126 Ų12647%0.47263%0.628SS.*  trans-51.9146.2-176.356.70000113.2R300 D301T298-R300 PolarHBondContact O-N 3.37Å; T298-D301 PolarHBondContact O-N 3.16Å
299L41.7Very low36.5Very low116 Ų116128.7 Ų128.761%0.60763%0.634SS**THydrogen-bonded Turntrans-58.44.5169.2-79.3157.9000113.8I177 F296I177-L299 HydrophobicContact CG2-CD2 4.43Å; F296-L299 HydrophobicContact CE1-CD1 4.43Å; F296-L299 HydrophobicContact CE1-CG 3.96Å; F296-L299 HydrophobicContact CZ-CD1 4.16Å; F296-L299 HydrophobicContact CZ-CD2 4.39Å; F296-L299 HydrophobicContact CZ-CG 3.76Å
300R40.3Very low36.9Very low168 Ų168126.8 Ų126.863%0.63463%0.63SS**THydrogen-bonded Turntrans-98.2-11.5-179-76.2-177.1174.51740.4114.3T298 I302 S303T298-R300 PolarHBondContact O-N 3.37Å; R300-I302 PolarHBondContact O-N 3.38Å; R300-S303 PolarHBondContact O-N 3.34Å
301D40.2Very low36.5Very low127 Ų127124.7 Ų124.768%0.67963%0.629SS**THydrogen-bonded Turntrans-74.210.1-175.3-77.6-34.7000115T298T298-D301 PolarHBondContact O-N 3.16Å
302I41.6Very low36.1Very low161 Ų161128.2 Ų128.283%0.82665%0.648SS**THydrogen-bonded Turntrans-104.7-9.1174.3-63.4178.7000113R300R300-I302 PolarHBondContact O-N 3.38Å
303S31.7Very low36Very low89 Ų89127.9 Ų127.962%0.62265%0.648SS**THydrogen-bonded Turntrans-135.2-26.9-17677.70000121.4R300R300-S303 PolarHBondContact O-N 3.34Å
304D29.5Very low35.6Very low143 Ų143131.5 Ų131.577%0.76566%0.664SS**  trans-149.2100.9-173.3-76-60.6000115.1
305R33.2Very low34.6Very low243 Ų243133.7 Ų133.792%0.91769%0.686SS**  trans-71.9114.9146.9-71.5-179.3177-169.3-1.4107.2
306M28.5Very low34.4Very low157 Ų157138.9 Ų138.977%0.77372%0.722SS**  trans158.3144.1131.4-84.7-170.4166.700112.5
307F29.2Very low34.3Very low194 Ų194145.6 Ų145.685%0.85175%0.754SS**  trans91.590.8166.6-55.6-69.7000118.1
308Q29Very low34.8Very low179 Ų179146 Ų14684%0.83676%0.756SS**  trans-71.5142.8152.5-72.4164.4-25.600110.5
309N30.2Very low35.4Very low157 Ų157146.5 Ų146.584%0.8476%0.759SS**  -169.8147.2114.9-103.3-7.2000112.6
310P44.3Very low36Very low104 Ų104145.7 Ų145.768%0.67576%0.755SS**  trans-100.4156.4-177.138.1-30.1000112.9
311E27.7Very low37Very low176 Ų176147.6 Ų147.682%0.82276%0.762SS**  trans152.7123.3133.4-85.1178.2178.300113.5
312L30.6Very low39Very low165 Ų165145.9 Ų145.986%0.86475%0.753SS**  174.3109.8120.7-93.2156.2000112.7
313M35.6Very low41.3Very low164 Ų164138.9 Ų138.981%0.80872%0.717SS**  trans5.8153.1139-59.6-62.6168.300119.5
314M29.9Very low44.3Very low179 Ų179135.3 Ų135.388%0.88269%0.691SS**  cis-172.41457.6-107.7-102.9-79.200107.8
315G28Very low47.4Very low74 Ų74130.7 Ų130.776%0.76367%0.668SS**  trans144.2118.3159.200000117.1
316S35.6Very low50.4Low121 Ų121120.2 Ų120.285%0.84663%0.629SS**SBendtrans86.6130.8173-160.50000117.8T318S316-T318 PolarHBondContact O-N 3.42Å
317E42.7Very low53.6Low191 Ų191114.8 Ų114.889%0.89361%0.605SS**SBendtrans-62.790.9-173.1-64.6170.9152.600113.4
318T42.8Very low56.9Low81 Ų81105.6 Ų105.650%0.49757%0.565SS.*SBendtrans174.8106137.640.40000101.8S316S316-T318 PolarHBondContact O-N 3.42Å
319T52.1Low60.2Low87 Ų87100 Ų10053%0.53454%0.541SS..  trans-61146.8178.245.60000108.6R321 D322T319-R321 PolarHBondContact O-N 3.43Å; T319-D322 PolarHBondContact N-OD2 3.42Å; T319-D322 PolarHBondContact O-N 3.47Å
320D54.3Low63.4Low99 Ų9992.9 Ų92.953%0.52950%0.503SS..G310 helixtrans-52.2-11.8175.2-106.16.7000113.4K198 D322 F354K198-D320 IonicContact NZ-OD1 3.13Å; D320-D322 VanDerWaalsContact C-N 3.25Å; D320-D322 PolarHBondContact O-N 3.14Å; D320-F354 WeakPolarHBondContact OD1-CE1 3.25Å
321R60.3Low65.9Low208 Ų20892.8 Ų92.879%0.78550%0.496SS*.G310 helixtrans-61.9-22.4170.6-60.5-173.3179.4-168.9-0.6114.7T319T319-R321 PolarHBondContact O-N 3.43Å
322D81.8Confident69.3Low92 Ų9287 Ų8749%0.49247%0.47SS..G310 helixtrans-88.9-10.3-176.1-57.8-38.1000112.9T319 D320T319-D322 PolarHBondContact N-OD2 3.42Å; T319-D322 PolarHBondContact O-N 3.47Å; D320-D322 VanDerWaalsContact C-N 3.25Å; D320-D322 PolarHBondContact O-N 3.14Å
323F90.6Very high72.5Confident14 Ų1479.2 Ų79.26%0.06143%0.428CS..SBendtrans-96.2140.1-177.9-67.4-67.3000112.6H197 V325 F354 F355 T356H197-F323 HydrophobicContact CB-CE1 3.79Å; H197-F323 HydrophobicContact CB-CZ 4.4Å; H197-F323 AromaticContact CD2-CE1 3.63Å; H197-F323 AromaticContact CG-CE1 3.51Å; H197-F323 AromaticContact ND1-CE1 3.86Å; F323-V325 HydrophobicContact CB-CG2 3.85Å; F323-V325 PolarHBondContact O-N 2.88Å; F323-F354 HydrophobicContact CB-CB 4.2Å; F323-F354 HydrophobicContact CB-CD1 3.9Å; F323-F354 HydrophobicContact CD1-CB 3.97Å; F323-F354 AromaticContact CD2-CD1 3.93Å; F323-F354 HydrophobicContact CD2-CD1 3.93Å; F323-F354 HydrophobicContact CG-CB 3.97Å; F323-F354 AromaticContact CG-CD1 3.95Å; F323-F354 HydrophobicContact CG-CD1 3.95Å; F323-F354 HydrophobicContact CG-CG 4.47Å; F323-F355 CarbonylContact C-O 3.21Å; F323-F355 WeakPolarHBondContact CA-O 3.43Å; F323-T356 HydrophobicContact CD1-CG2 3.72Å; F323-T356 HydrophobicContact CE1-CG2 3.89Å
324L94.3Very high75.5Confident14 Ų1471.5 Ų71.57%0.07339%0.391CS..EExtended strand (participates in β ladder)trans-73.4117.8155.7-42.7-175.6000107.5L194 I281 P282 P284 F355 K357L194-L324 HydrophobicContact CD1-CD1 4.3Å; L194-L324 HydrophobicContact CD2-CD1 3.79Å; I281-L324 HydrophobicContact CG2-CB 3.74Å; I281-L324 HydrophobicContact CG2-CD1 4.34Å; P282-L324 WeakPolarHBondContact O-CB 3.36Å; P284-L324 HydrophobicContact CG-CD2 4.27Å; L324-F355 HydrophobicContact CB-CB 4.22Å; L324-F355 PolarHBondContact N-O 3.02Å; L324-F355 PolarHBondContact O-N 3.19Å; L324-K357 HydrophobicContact CD1-CG 4.14Å
325V94.8Very high78.7Confident46 Ų4666.4 Ų66.428%0.27936%0.364SS..EExtended strand (participates in β ladder)trans-115.4118.1-174.1-172.90000111.1F323 K352 L353 F354F323-V325 HydrophobicContact CB-CG2 3.85Å; F323-V325 PolarHBondContact O-N 2.88Å; V325-K352 HydrophobicContact CG1-CB 4.26Å; V325-K352 HydrophobicContact CG1-CD 4.45Å; V325-L353 WeakPolarHBondContact CA-O 3.43Å; V325-F354 HydrophobicContact CG1-CD1 4.39Å; V325-F354 HydrophobicContact CG1-CE1 4.19Å; V325-F354 HydrophobicContact CG1-CZ 4.41Å; V325-F354 HydrophobicContact CG2-CD1 3.62Å; V325-F354 HydrophobicContact CG2-CE1 3.83Å; V325-F354 HydrophobicContact CG2-CG 4.43Å
326L95.8Very high82Confident22 Ų2262.9 Ų62.912%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-101.2125.8168.5178.860.8000109.3I276 I281 L328 K352 L353I276-L326 HydrophobicContact CB-CD2 4.31Å; I276-L326 HydrophobicContact CD1-CD2 4.21Å; I276-L326 HydrophobicContact CG2-CD2 3.7Å; I281-L326 HydrophobicContact CG1-CD2 4.47Å; L326-L328 HydrophobicContact CD1-CD2 4.49Å; L326-L328 HydrophobicContact CD2-CD2 4.41Å; L326-L328 HydrophobicContact CG-CD2 4.33Å; L326-L328 HydrophobicContact CG-CG 4.49Å; L326-K352 CarbonylContact O-C 3.47Å; L326-K352 WeakPolarHBondContact O-CA 3.33Å; L326-L353 HydrophobicContact CB-CB 4.39Å; L326-L353 HydrophobicContact CB-CD1 4.5Å; L326-L353 HydrophobicContact CD2-CD1 4.15Å; L326-L353 HydrophobicContact CG-CD1 4.45Å; L326-L353 PolarHBondContact N-O 3.14Å; L326-L353 PolarHBondContact O-N 2.49Å
327T96.8Very high85Confident43 Ų4358.2 Ų58.226%0.26429%0.293SS..EExtended strand (participates in β ladder)trans-107128.5173.7-55.70000109.3K350 K352T327-K350 HydrophobicContact CG2-CB 4.16Å; T327-K350 HydrophobicContact CG2-CD 3.81Å; T327-K352 HydrophobicContact CG2-CG 4.06Å
328L97.8Very high87.5Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-113.2119.2172.7-61.6178.4000109.5F274 I276 L326 E332 L333 K350 V351 L353F274-L328 HydrophobicContact CB-CD1 3.99Å; F274-L328 HydrophobicContact CD1-CD1 4.02Å; F274-L328 HydrophobicContact CD2-CD1 3.58Å; F274-L328 HydrophobicContact CE1-CD1 4.37Å; F274-L328 HydrophobicContact CE2-CD1 3.97Å; F274-L328 HydrophobicContact CG-CD1 3.59Å; F274-L328 HydrophobicContact CZ-CD1 4.34Å; I276-L328 HydrophobicContact CG2-CD1 4.31Å; L326-L328 HydrophobicContact CD1-CD2 4.49Å; L326-L328 HydrophobicContact CD2-CD2 4.41Å; L326-L328 HydrophobicContact CG-CD2 4.33Å; L326-L328 HydrophobicContact CG-CG 4.49Å; L328-E332 WeakPolarHBondContact CA-OE2 3.27Å; L328-E332 HydrophobicContact CB-CB 4.35Å; L328-E332 HydrophobicContact CD2-CB 4.28Å; L328-L333 HydrophobicContact CB-CD2 3.89Å; L328-L333 HydrophobicContact CD1-CD2 4.04Å; L328-K350 CarbonylContact O-C 3.6Å; L328-K350 WeakPolarHBondContact O-CA 3.14Å; L328-V351 PolarHBondContact N-O 2.73Å; L328-V351 PolarHBondContact O-N 3.3Å; L328-L353 HydrophobicContact CD1-CD1 4.26Å
329D97.9Very high90.1Very high63 Ų6350.1 Ų50.134%0.33725%0.249SC..EExtended strand (participates in β ladder)trans-75.2162.2174.1-70.5-24.8000111N331 E332 K350D329-N331 PolarHBondContact O-N 3.09Å; D329-E332 PolarHBondContact N-OE2 3.13Å; D329-E332 WeakPolarHBondContact O-CA 3.37Å; D329-E332 WeakPolarHBondContact O-CB 3.27Å; D329-E332 PolarHBondContact O-N 3.36Å; D329-K350 WeakPolarHBondContact OD1-CD 3.31Å; D329-K350 WeakPolarHBondContact OD1-CE 3.16Å; D329-K350 VanDerWaalsContact OD1-CG 3.24Å; D329-K350 WeakPolarHBondContact OD1-CG 3.48Å
330K98.3Very high92.1Very high7 Ų752.9 Ų52.93%0.0325%0.253CS..G310 helixtrans-46.8-38.4176.7178.8177.3170.4176.30113.8E332 L333 A336 N337 D339 N342 F345 S346 F349K330-E332 PolarHBondContact O-N 3.07Å; K330-L333 PolarHBondContact O-N 3.11Å; K330-A336 VanDerWaalsContact CE-O 3.25Å; K330-A336 WeakPolarHBondContact CE-O 3.17Å; K330-A336 HydrophobicContact CG-CB 4.46Å; K330-N337 WeakPolarHBondContact O-CA 3.4Å; K330-N337 PolarHBondContact O-N 2.87Å; K330-D339 WeakPolarHBondContact CE-O 3.48Å; K330-D339 PolarHBondContact NZ-O 3.29Å; K330-D339 IonicContact NZ-OD2 3.35Å; K330-D339 PolarHBondContact NZ-OD2 3.34Å; K330-N342 PolarHBondContact NZ-OD1 3.26Å; K330-F345 HydrophobicContact CD-CB 3.85Å; K330-F345 HydrophobicContact CG-CB 4.44Å; K330-F345 PolarHBondContact NZ-O 3.08Å; K330-S346 WeakPolarHBondContact CD-O 3.17Å; K330-F349 HydrophobicContact CB-CB 4.3Å; K330-F349 PolarHBondContact N-O 2.83Å
331N97.4Very high94.1Very high102 Ų10251.5 Ų51.555%0.54526%0.256SS..G310 helixtrans-72.6-16.7-179.4-70-37.5000113.5P170 D329P170-N331 WeakPolarHBondContact CG-O 3.37Å; D329-N331 PolarHBondContact O-N 3.09Å
332E97.8Very high95.9Very high55 Ų5544.6 Ų44.626%0.25723%0.234SC..G310 helixtrans-93.9-2.9178.4-60.3-175.29100113P170 R174 L328 D329 K330P170-E332 WeakPolarHBondContact CB-O 3.43Å; R174-E332 PolarHBondContact NH2-O 2.92Å; L328-E332 WeakPolarHBondContact CA-OE2 3.27Å; L328-E332 HydrophobicContact CB-CB 4.35Å; L328-E332 HydrophobicContact CD2-CB 4.28Å; D329-E332 PolarHBondContact N-OE2 3.13Å; D329-E332 WeakPolarHBondContact O-CA 3.37Å; D329-E332 WeakPolarHBondContact O-CB 3.27Å; D329-E332 PolarHBondContact O-N 3.36Å; K330-E332 PolarHBondContact O-N 3.07Å
333L98.5Very high96.6Very high0 Ų047.7 Ų47.70%024%0.244CC..SBendtrans-98.8130-179.9-59.8174.6000110.3F272 F274 L328 K330 A336 N337 F349 V351F272-L333 HydrophobicContact CB-CB 4.37Å; F272-L333 HydrophobicContact CD2-CB 4.1Å; F272-L333 HydrophobicContact CD2-CD1 3.89Å; F272-L333 HydrophobicContact CD2-CD2 3.91Å; F272-L333 HydrophobicContact CD2-CG 4.19Å; F272-L333 HydrophobicContact CE2-CD1 3.95Å; F272-L333 HydrophobicContact CE2-CD2 3.96Å; F272-L333 HydrophobicContact CE2-CG 4.47Å; F272-L333 HydrophobicContact CG-CB 4.44Å; F272-L333 HydrophobicContact CG-CD1 4.27Å; F272-L333 HydrophobicContact CZ-CD1 4.38Å; F274-L333 HydrophobicContact CB-CD2 4.2Å; F274-L333 HydrophobicContact CD1-CD2 3.55Å; F274-L333 HydrophobicContact CE1-CD2 4.26Å; F274-L333 HydrophobicContact CG-CD2 4.16Å; L328-L333 HydrophobicContact CB-CD2 3.89Å; L328-L333 HydrophobicContact CD1-CD2 4.04Å; K330-L333 PolarHBondContact O-N 3.11Å; L333-A336 HydrophobicContact CB-CB 3.85Å; L333-A336 HydrophobicContact CD1-CB 4.37Å; L333-N337 WeakPolarHBondContact O-CB 3.44Å; L333-N337 PolarHBondContact O-N 3.14Å; L333-N337 VanDerWaalsContact O-N 3.07Å; L333-N337 PolarHBondContact O-ND2 2.73Å; L333-F349 HydrophobicContact CD1-CD1 3.82Å; L333-F349 HydrophobicContact CD1-CE1 3.46Å; L333-F349 VanDerWaalsContact CD1-CE1 3.46Å; L333-V351 HydrophobicContact CD1-CG2 3.84Å; L333-V351 HydrophobicContact CD2-CG2 4.31Å
334D98.1Very high96.9Very high3 Ų349.5 Ų49.52%0.01625%0.254CS..BIsolated β-bridgetrans-67.2139.1176.6-57.2-25.3000109.3I169 P170 S171 F272 H273 A336I169-D334 HydrophobicContact CG2-CB 4.41Å; I169-D334 VanDerWaalsContact CG2-OD1 3.27Å; I169-D334 WeakPolarHBondContact CG2-OD1 3.28Å; P170-D334 WeakPolarHBondContact CD-OD1 3.37Å; S171-D334 WeakPolarHBondContact CB-OD2 3.11Å; S171-D334 PolarHBondContact N-OD1 2.99Å; S171-D334 PolarHBondContact OG-OD1 3.24Å; S171-D334 PolarHBondContact OG-OD2 3.41Å; F272-D334 VanDerWaalsContact CA-O 3.26Å; F272-D334 WeakPolarHBondContact CA-O 3.35Å; F272-D334 VanDerWaalsContact CB-O 3.23Å; F272-D334 WeakPolarHBondContact CB-O 3.38Å; H273-D334 IonicContact CD2-OD2 3.51Å; H273-D334 WeakPolarHBondContact CE1-CB 3.44Å; H273-D334 IonicContact CE1-OD2 3.68Å; H273-D334 PolarHBondContact N-O 3.45Å; H273-D334 VanDerWaalsContact N-O 3.16Å; H273-D334 WeakPolarHBondContact ND1-CB 3.34Å; H273-D334 IonicContact NE2-OD2 3.67Å; H273-D334 PolarHBondContact NE2-OD2 2.82Å; H273-D334 WeakPolarHBondContact O-CA 3.33Å; H273-D334 VanDerWaalsContact O-CB 3.3Å; H273-D334 WeakPolarHBondContact O-CB 3.48Å; H273-D334 PolarHBondContact O-N 3.42Å; D334-A336 PolarHBondContact O-N 2.76Å
335K97.6Very high97.1Very high72 Ų7249 Ų4931%0.31325%0.251SS..THydrogen-bonded Turntrans69.6-47-169.3-167.8177.2-177.3178.30115.1K270 N337 K338K270-K335 HydrophobicContact CB-CD 4.44Å; K270-K335 HydrophobicContact CD-CD 4.31Å; K270-K335 HydrophobicContact CG-CD 4.08Å; K270-K335 WeakPolarHBondContact O-CE 3.42Å; K270-K335 PolarHBondContact O-NZ 2.91Å; K335-N337 VanDerWaalsContact C-N 3.3Å; K335-N337 PolarHBondContact O-N 2.99Å; K335-K338 WeakPolarHBondContact O-CB 3.4Å; K335-K338 PolarHBondContact O-N 3.18Å; K335-K338 VanDerWaalsContact O-N 3.09Å
336A97.8Very high97.2Very high0 Ų048.4 Ų48.40%025%0.249CC..G310 helixtrans-64.3-33179.200000113.1F272 K330 L333 D334 K338 D339 F345F272-A336 HydrophobicContact CB-CB 3.69Å; F272-A336 HydrophobicContact CG-CB 4.31Å; K330-A336 VanDerWaalsContact CE-O 3.25Å; K330-A336 WeakPolarHBondContact CE-O 3.17Å; K330-A336 HydrophobicContact CG-CB 4.46Å; L333-A336 HydrophobicContact CB-CB 3.85Å; L333-A336 HydrophobicContact CD1-CB 4.37Å; D334-A336 PolarHBondContact O-N 2.76Å; A336-K338 PolarHBondContact O-N 3.03Å; A336-K338 VanDerWaalsContact O-N 3.13Å; A336-D339 PolarHBondContact O-N 3.11Å; A336-D339 VanDerWaalsContact O-N 3.11Å; A336-F345 HydrophobicContact CB-CD2 3.87Å; A336-F345 HydrophobicContact CB-CE1 4.45Å; A336-F345 HydrophobicContact CB-CE2 3.75Å; A336-F345 HydrophobicContact CB-CG 4.27Å; A336-F345 HydrophobicContact CB-CZ 4.05Å
337N96.8Very high97.2Very high23 Ų2351.7 Ų51.712%0.12327%0.271CS..G310 helixtrans-60-23.1174.774.267.6000113.6P170 K330 L333 K335 D339 K340P170-N337 WeakPolarHBondContact CD-ND2 3.43Å; P170-N337 HydrophobicContact CG-CB 4.17Å; P170-N337 WeakPolarHBondContact CG-ND2 3.05Å; K330-N337 WeakPolarHBondContact O-CA 3.4Å; K330-N337 PolarHBondContact O-N 2.87Å; L333-N337 WeakPolarHBondContact O-CB 3.44Å; L333-N337 PolarHBondContact O-N 3.14Å; L333-N337 VanDerWaalsContact O-N 3.07Å; L333-N337 PolarHBondContact O-ND2 2.73Å; K335-N337 VanDerWaalsContact C-N 3.3Å; K335-N337 PolarHBondContact O-N 2.99Å; N337-D339 VanDerWaalsContact C-N 3.32Å; N337-K340 WeakPolarHBondContact O-CD 3.39Å; N337-K340 WeakPolarHBondContact O-CE 3.46Å; N337-K340 PolarHBondContact O-NZ 2.81Å
338K95.9Very high97.1Very high78 Ų7853.9 Ų53.934%0.33928%0.281SS..G310 helixtrans-79-16.2-178.7-58.5-179.7179.4172.20112K335 A336 K340 D393K335-K338 WeakPolarHBondContact O-CB 3.4Å; K335-K338 PolarHBondContact O-N 3.18Å; K335-K338 VanDerWaalsContact O-N 3.09Å; A336-K338 PolarHBondContact O-N 3.03Å; A336-K338 VanDerWaalsContact O-N 3.13Å; K338-K340 PolarHBondContact O-N 3.48Å; K338-D393 IonicContact NZ-OD1 3.61Å
339D96.6Very high97.2Very high23 Ų2353.9 Ų53.912%0.12328%0.281CS..  trans-76.666.4178.2179.527.7000111.8K330 A336 N337 A341 N342 K343 N344 F345K330-D339 WeakPolarHBondContact CE-O 3.48Å; K330-D339 PolarHBondContact NZ-O 3.29Å; K330-D339 IonicContact NZ-OD2 3.35Å; K330-D339 PolarHBondContact NZ-OD2 3.34Å; A336-D339 PolarHBondContact O-N 3.11Å; A336-D339 VanDerWaalsContact O-N 3.11Å; N337-D339 VanDerWaalsContact C-N 3.32Å; D339-A341 PolarHBondContact O-N 2.96Å; D339-N342 PolarHBondContact O-N 3.36Å; D339-N342 VanDerWaalsContact O-N 3.15Å; D339-N342 PolarHBondContact OD1-N 3.19Å; D339-N342 VanDerWaalsContact OD1-N 3.15Å; D339-N342 WeakPolarHBondContact OD2-CA 3.48Å; D339-K343 PolarHBondContact OD1-N 3.23Å; D339-K343 PolarHBondContact OD2-N 2.76Å; D339-K343 VanDerWaalsContact OD2-N 3.13Å; D339-N344 PolarHBondContact OD2-N 2.73Å; D339-F345 HydrophobicContact CB-CD2 4.27Å; D339-F345 PolarHBondContact OD2-N 3.38Å
340K95.3Very high97.1Very high145 Ų14553.1 Ų53.163%0.6328%0.275SS*.THydrogen-bonded Turntrans-67-23.4-179.5-58.2-51.1-172.5-166.50113.3N337 K338 N342N337-K340 WeakPolarHBondContact O-CD 3.39Å; N337-K340 WeakPolarHBondContact O-CE 3.46Å; N337-K340 PolarHBondContact O-NZ 2.81Å; K338-K340 PolarHBondContact O-N 3.48Å; K340-N342 VanDerWaalsContact C-N 3.26Å; K340-N342 PolarHBondContact O-N 3.42Å
341A97Very high97.1Very high70 Ų7052.8 Ų52.858%0.57927%0.274SS*.THydrogen-bonded Turntrans-81.1-4.5176.500000113.3D339 K343D339-A341 PolarHBondContact O-N 2.96Å; A341-K343 HydrophobicContact CB-CD 4.29Å; A341-K343 HydrophobicContact CB-CG 3.9Å; A341-K343 PolarHBondContact O-N 3.38Å
342N96.4Very high97.1Very high63 Ų6350.5 Ų50.534%0.33726%0.259SS..  trans54.435.4-177.4-52.6-52.7000113.3K330 D339 K340 F345K330-N342 PolarHBondContact NZ-OD1 3.26Å; D339-N342 PolarHBondContact O-N 3.36Å; D339-N342 VanDerWaalsContact O-N 3.15Å; D339-N342 PolarHBondContact OD1-N 3.19Å; D339-N342 VanDerWaalsContact OD1-N 3.15Å; D339-N342 WeakPolarHBondContact OD2-CA 3.48Å; K340-N342 VanDerWaalsContact C-N 3.26Å; K340-N342 PolarHBondContact O-N 3.42Å; N342-F345 VanDerWaalsContact CA-O 3.32Å; N342-F345 WeakPolarHBondContact CA-O 3.4Å; N342-F345 WeakPolarHBondContact CB-O 3.31Å
343K96.4Very high97.1Very high158 Ų15847.9 Ų47.969%0.68725%0.247SC*.SBendtrans-72.1-42.5-178.9-71.7-178.8179-1770111.7D339 A341D339-K343 PolarHBondContact OD1-N 3.23Å; D339-K343 PolarHBondContact OD2-N 2.76Å; D339-K343 VanDerWaalsContact OD2-N 3.13Å; A341-K343 HydrophobicContact CB-CD 4.29Å; A341-K343 HydrophobicContact CB-CG 3.9Å; A341-K343 PolarHBondContact O-N 3.38Å
344N97.2Very high97Very high52 Ų5248 Ų4828%0.27825%0.247SC..SBendtrans-105.5-27.7-174.1-68.5-10.8000111.8P205 M206 F207 D339P205-N344 CarbonylContact C-O 3.53Å; P205-N344 WeakPolarHBondContact CA-O 3.5Å; M206-N344 PolarHBondContact N-O 2.64Å; F207-N344 HydrophobicContact CD2-CB 4.44Å; F207-N344 HydrophobicContact CE2-CB 3.95Å; F207-N344 HydrophobicContact CZ-CB 4.01Å; D339-N344 PolarHBondContact OD2-N 2.73Å
345F97.9Very high97Very high4 Ų448 Ų482%0.01825%0.247CC..SBendtrans-131.6131.9-178.4-56.3-84.6000110.4P205 F207 M271 F272 K330 A336 D339 N342 F349P205-F345 HydrophobicContact CB-CD1 3.94Å; P205-F345 HydrophobicContact CB-CE1 3.8Å; P205-F345 HydrophobicContact CG-CD1 4.04Å; P205-F345 HydrophobicContact CG-CE1 3.92Å; F207-F345 AromaticContact CE2-CE1 3.89Å; F207-F345 HydrophobicContact CE2-CE1 3.89Å; F207-F345 AromaticContact CE2-CE2 3.94Å; F207-F345 HydrophobicContact CE2-CE2 3.94Å; F207-F345 AromaticContact CE2-CZ 3.45Å; F207-F345 HydrophobicContact CE2-CZ 3.45Å; F207-F345 VanDerWaalsContact CE2-CZ 3.45Å; F207-F345 HydrophobicContact CZ-CE1 4.44Å; F207-F345 AromaticContact CZ-CE2 3.82Å; F207-F345 HydrophobicContact CZ-CE2 3.82Å; F207-F345 AromaticContact CZ-CZ 3.56Å; F207-F345 HydrophobicContact CZ-CZ 3.56Å; M271-F345 HydrophobicContact CB-CZ 4.13Å; M271-F345 HydrophobicContact CE-CE1 4.41Å; F272-F345 HydrophobicContact CB-CZ 4.45Å; F272-F345 AromaticContact CD1-CE1 3.61Å; F272-F345 HydrophobicContact CD1-CE1 3.61Å; F272-F345 AromaticContact CD1-CZ 3.71Å; F272-F345 HydrophobicContact CD1-CZ 3.71Å; F272-F345 HydrophobicContact CE1-CE1 4.02Å; K330-F345 HydrophobicContact CD-CB 3.85Å; K330-F345 HydrophobicContact CG-CB 4.44Å; K330-F345 PolarHBondContact NZ-O 3.08Å; A336-F345 HydrophobicContact CB-CD2 3.87Å; A336-F345 HydrophobicContact CB-CE1 4.45Å; A336-F345 HydrophobicContact CB-CE2 3.75Å; A336-F345 HydrophobicContact CB-CG 4.27Å; A336-F345 HydrophobicContact CB-CZ 4.05Å; D339-F345 HydrophobicContact CB-CD2 4.27Å; D339-F345 PolarHBondContact OD2-N 3.38Å; N342-F345 VanDerWaalsContact CA-O 3.32Å; N342-F345 WeakPolarHBondContact CA-O 3.4Å; N342-F345 WeakPolarHBondContact CB-O 3.31Å; F345-F349 HydrophobicContact CB-CB 4.22Å; F345-F349 HydrophobicContact CB-CD1 4.44Å; F345-F349 HydrophobicContact CB-CG 4.37Å; F345-F349 AromaticContact CD1-CD1 3.76Å; F345-F349 HydrophobicContact CD1-CD1 3.76Å; F345-F349 HydrophobicContact CD1-CD2 4.37Å; F345-F349 AromaticContact CD1-CE1 3.81Å; F345-F349 HydrophobicContact CD1-CE1 3.81Å; F345-F349 HydrophobicContact CD1-CE2 4.43Å; F345-F349 HydrophobicContact CD1-CG 4.06Å; F345-F349 HydrophobicContact CD1-CZ 4.17Å; F345-F349 HydrophobicContact CE1-CD1 4.47Å; F345-F349 HydrophobicContact CE1-CE1 4.07Å; F345-F349 HydrophobicContact CE1-CZ 4.31Å; F345-F349 HydrophobicContact CG-CD1 4.42Å
346S97Very high96.8Very high32 Ų3245.9 Ų45.922%0.22424%0.24CC..  trans-55.7146.8170.1-171.70000111.1K330 N348 F349K330-S346 WeakPolarHBondContact CD-O 3.17Å; S346-N348 WeakPolarHBondContact CB-OD1 3.38Å; S346-N348 PolarHBondContact O-N 3.39Å; S346-N348 PolarHBondContact OG-OD1 2.9Å; S346-F349 WeakPolarHBondContact O-CB 3.41Å; S346-F349 PolarHBondContact O-N 2.81Å
347P96.6Very high96.5Very high91 Ų9151.8 Ų51.859%0.59127%0.266SS*.THydrogen-bonded Turntrans-59.6-27.4177.123.6-35.1000113.5
348N95.6Very high96Very high89 Ų8953.6 Ų53.648%0.47628%0.278SS..THydrogen-bonded Turntrans-94.917.8174.871.3-22.2000113.4T203 S346 K350T203-N348 WeakPolarHBondContact CG2-OD1 3.27Å; S346-N348 WeakPolarHBondContact CB-OD1 3.38Å; S346-N348 PolarHBondContact O-N 3.39Å; S346-N348 PolarHBondContact OG-OD1 2.9Å; N348-K350 PolarHBondContact O-N 3.26Å
349F98Very high95Very high1 Ų156.9 Ų56.90%0.00430%0.304CS..  trans-62.2131.5174.3178.5-105.4000110.6F201 T203 P205 F272 K330 L333 F345 S346 V351F201-F349 HydrophobicContact CB-CE2 3.93Å; F201-F349 HydrophobicContact CD1-CE2 4.26Å; F201-F349 HydrophobicContact CD1-CZ 4.01Å; F201-F349 AromaticContact CD2-CE2 3.86Å; F201-F349 HydrophobicContact CD2-CE2 3.86Å; F201-F349 HydrophobicContact CD2-CZ 4Å; F201-F349 HydrophobicContact CE1-CZ 4.19Å; F201-F349 HydrophobicContact CE2-CE2 4.43Å; F201-F349 HydrophobicContact CE2-CZ 4.16Å; F201-F349 AromaticContact CG-CE2 3.76Å; F201-F349 HydrophobicContact CG-CE2 3.76Å; F201-F349 AromaticContact CG-CZ 3.93Å; F201-F349 HydrophobicContact CG-CZ 3.93Å; F201-F349 HydrophobicContact CZ-CZ 4.24Å; T203-F349 WeakPolarHBondContact O-CD2 3.19Å; T203-F349 WeakPolarHBondContact O-CE2 3.42Å; T203-F349 WeakPolarHBondContact OG1-CA 3.42Å; T203-F349 WeakPolarHBondContact OG1-CD2 3.39Å; P205-F349 HydrophobicContact CG-CD2 4.36Å; P205-F349 HydrophobicContact CG-CE2 3.66Å; P205-F349 HydrophobicContact CG-CZ 4.01Å; F272-F349 HydrophobicContact CD1-CE1 4.33Å; F272-F349 AromaticContact CE1-CE1 3.83Å; F272-F349 HydrophobicContact CE1-CE1 3.83Å; F272-F349 AromaticContact CE1-CZ 3.75Å; F272-F349 HydrophobicContact CE1-CZ 3.75Å; F272-F349 HydrophobicContact CZ-CE1 4.07Å; F272-F349 AromaticContact CZ-CZ 4Å; F272-F349 HydrophobicContact CZ-CZ 4Å; K330-F349 HydrophobicContact CB-CB 4.3Å; K330-F349 PolarHBondContact N-O 2.83Å; L333-F349 HydrophobicContact CD1-CD1 3.82Å; L333-F349 HydrophobicContact CD1-CE1 3.46Å; L333-F349 VanDerWaalsContact CD1-CE1 3.46Å; F345-F349 HydrophobicContact CB-CB 4.22Å; F345-F349 HydrophobicContact CB-CD1 4.44Å; F345-F349 HydrophobicContact CB-CG 4.37Å; F345-F349 AromaticContact CD1-CD1 3.76Å; F345-F349 HydrophobicContact CD1-CD1 3.76Å; F345-F349 HydrophobicContact CD1-CD2 4.37Å; F345-F349 AromaticContact CD1-CE1 3.81Å; F345-F349 HydrophobicContact CD1-CE1 3.81Å; F345-F349 HydrophobicContact CD1-CE2 4.43Å; F345-F349 HydrophobicContact CD1-CG 4.06Å; F345-F349 HydrophobicContact CD1-CZ 4.17Å; F345-F349 HydrophobicContact CE1-CD1 4.47Å; F345-F349 HydrophobicContact CE1-CE1 4.07Å; F345-F349 HydrophobicContact CE1-CZ 4.31Å; F345-F349 HydrophobicContact CG-CD1 4.42Å; S346-F349 WeakPolarHBondContact O-CB 3.41Å; S346-F349 PolarHBondContact O-N 2.81Å; F349-V351 HydrophobicContact CE1-CG2 3.8Å; F349-V351 HydrophobicContact CZ-CG2 3.82Å
350K97.6Very high92.9Very high47 Ų4763.9 Ų63.920%0.20434%0.336CS..EExtended strand (participates in β ladder)trans-139.2152177.5-53.8-169.1-170.2146.10110.7F201 E202 T327 L328 D329 N348F201-K350 WeakPolarHBondContact CA-O 3.45Å; E202-K350 HydrophobicContact CB-CB 4.34Å; E202-K350 HydrophobicContact CG-CB 4.2Å; E202-K350 PolarHBondContact N-O 3.1Å; E202-K350 VanDerWaalsContact N-O 3.14Å; E202-K350 VanDerWaalsContact OE2-CD 3.27Å; E202-K350 WeakPolarHBondContact OE2-CD 3.42Å; E202-K350 IonicContact OE2-NZ 2.93Å; E202-K350 PolarHBondContact OE2-NZ 2.76Å; T327-K350 HydrophobicContact CG2-CB 4.16Å; T327-K350 HydrophobicContact CG2-CD 3.81Å; L328-K350 CarbonylContact O-C 3.6Å; L328-K350 WeakPolarHBondContact O-CA 3.14Å; D329-K350 WeakPolarHBondContact OD1-CD 3.31Å; D329-K350 WeakPolarHBondContact OD1-CE 3.16Å; D329-K350 VanDerWaalsContact OD1-CG 3.24Å; D329-K350 WeakPolarHBondContact OD1-CG 3.48Å; N348-K350 PolarHBondContact O-N 3.26Å
351V98.1Very high90.5Very high0 Ų065.8 Ų65.80%035%0.347CS..EExtended strand (participates in β ladder)trans-118.7117.8170.3-173.20000108.1L200 F201 F272 F274 L328 L333 F349 L353L200-V351 CarbonylContact O-C 3.59Å; L200-V351 WeakPolarHBondContact O-CA 3.35Å; F201-V351 HydrophobicContact CD1-CB 4.35Å; F201-V351 HydrophobicContact CD1-CG1 4.06Å; F201-V351 HydrophobicContact CD1-CG2 3.76Å; F201-V351 HydrophobicContact CE1-CB 4.39Å; F201-V351 HydrophobicContact CE1-CG1 3.91Å; F201-V351 HydrophobicContact CE1-CG2 3.66Å; F272-V351 HydrophobicContact CE2-CG2 3.9Å; F272-V351 HydrophobicContact CZ-CG2 3.7Å; F274-V351 HydrophobicContact CE1-CG1 4.43Å; L328-V351 PolarHBondContact N-O 2.73Å; L328-V351 PolarHBondContact O-N 3.3Å; L333-V351 HydrophobicContact CD1-CG2 3.84Å; L333-V351 HydrophobicContact CD2-CG2 4.31Å; F349-V351 HydrophobicContact CE1-CG2 3.8Å; F349-V351 HydrophobicContact CZ-CG2 3.82Å; V351-L353 HydrophobicContact CG1-CD2 3.65Å
352K97.3Very high87.6Confident54 Ų5465.9 Ų65.924%0.23536%0.355CS..EExtended strand (participates in β ladder)trans-95.9138.5169.8-62.3-174.7178.41610110M199 L200 E202 V325 L326 T327 F354M199-K352 CarbonylContact C-O 3.54Å; M199-K352 WeakPolarHBondContact CA-O 3.11Å; L200-K352 HydrophobicContact CB-CB 4.28Å; L200-K352 HydrophobicContact CD2-CD 4.47Å; L200-K352 PolarHBondContact N-O 3.23Å; L200-K352 PolarHBondContact O-N 2.67Å; E202-K352 WeakPolarHBondContact OE1-CE 3.37Å; E202-K352 IonicContact OE1-NZ 3.98Å; E202-K352 PolarHBondContact OE1-NZ 2.8Å; V325-K352 HydrophobicContact CG1-CB 4.26Å; V325-K352 HydrophobicContact CG1-CD 4.45Å; L326-K352 CarbonylContact O-C 3.47Å; L326-K352 WeakPolarHBondContact O-CA 3.33Å; T327-K352 HydrophobicContact CG2-CG 4.06Å; K352-F354 HydrophobicContact CB-CD2 4.38Å; K352-F354 HydrophobicContact CB-CE2 3.57Å; K352-F354 HydrophobicContact CB-CZ 3.97Å; K352-F354 HydrophobicContact CD-CZ 4.25Å
353L97.7Very high85Confident0 Ų067.2 Ų67.20%038%0.375CS..EExtended strand (participates in β ladder)trans-121.4127.9-178.9-46.3177.3000107.6F196 M199 F274 I276 V325 L326 L328 V351 F355F196-L353 HydrophobicContact CE2-CB 3.93Å; F196-L353 HydrophobicContact CE2-CD2 4.4Å; F196-L353 HydrophobicContact CZ-CB 4.21Å; F196-L353 HydrophobicContact CZ-CD2 3.97Å; M199-L353 HydrophobicContact CB-CD2 4.29Å; M199-L353 HydrophobicContact CG-CD2 3.62Å; M199-L353 HydrophobicContact SD-CD2 3.87Å; F274-L353 HydrophobicContact CE2-CD1 3.59Å; F274-L353 HydrophobicContact CE2-CD2 4.21Å; F274-L353 HydrophobicContact CZ-CD1 3.88Å; F274-L353 HydrophobicContact CZ-CD2 3.63Å; F274-L353 HydrophobicContact CZ-CG 4.4Å; I276-L353 HydrophobicContact CD1-CD1 3.79Å; V325-L353 WeakPolarHBondContact CA-O 3.43Å; L326-L353 HydrophobicContact CB-CB 4.39Å; L326-L353 HydrophobicContact CB-CD1 4.5Å; L326-L353 HydrophobicContact CD2-CD1 4.15Å; L326-L353 HydrophobicContact CG-CD1 4.45Å; L326-L353 PolarHBondContact N-O 3.14Å; L326-L353 PolarHBondContact O-N 2.49Å; L328-L353 HydrophobicContact CD1-CD1 4.26Å; V351-L353 HydrophobicContact CG1-CD2 3.65Å; L353-F355 HydrophobicContact CB-CD2 4.35Å; L353-F355 HydrophobicContact CB-CE2 3.39Å; L353-F355 HydrophobicContact CB-CZ 3.85Å; L353-F355 HydrophobicContact CD1-CE2 4.4Å; L353-F355 HydrophobicContact CD1-CZ 4.38Å
354F96.8Very high82.1Confident4 Ų466.9 Ų66.92%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-116.4122-172.1-62.8-104.3000110.4F196 H197 K198 L200 D320 F323 V325 K352F196-F354 WeakPolarHBondContact CD2-O 3.32Å; H197-F354 PolarHBondContact N-O 3.03Å; K198-F354 HydrophobicContact CD-CD2 4.4Å; K198-F354 HydrophobicContact CD-CG 4.38Å; K198-F354 HydrophobicContact CG-CB 3.77Å; K198-F354 HydrophobicContact CG-CD2 3.63Å; K198-F354 HydrophobicContact CG-CE2 4.38Å; K198-F354 HydrophobicContact CG-CG 3.79Å; K198-F354 PolarHBondContact O-N 3.17Å; L200-F354 HydrophobicContact CB-CE2 3.88Å; D320-F354 WeakPolarHBondContact OD1-CE1 3.25Å; F323-F354 HydrophobicContact CB-CB 4.2Å; F323-F354 HydrophobicContact CB-CD1 3.9Å; F323-F354 HydrophobicContact CD1-CB 3.97Å; F323-F354 AromaticContact CD2-CD1 3.93Å; F323-F354 HydrophobicContact CD2-CD1 3.93Å; F323-F354 HydrophobicContact CG-CB 3.97Å; F323-F354 AromaticContact CG-CD1 3.95Å; F323-F354 HydrophobicContact CG-CD1 3.95Å; F323-F354 HydrophobicContact CG-CG 4.47Å; V325-F354 HydrophobicContact CG1-CD1 4.39Å; V325-F354 HydrophobicContact CG1-CE1 4.19Å; V325-F354 HydrophobicContact CG1-CZ 4.41Å; V325-F354 HydrophobicContact CG2-CD1 3.62Å; V325-F354 HydrophobicContact CG2-CE1 3.83Å; V325-F354 HydrophobicContact CG2-CG 4.43Å; K352-F354 HydrophobicContact CB-CD2 4.38Å; K352-F354 HydrophobicContact CB-CE2 3.57Å; K352-F354 HydrophobicContact CB-CZ 3.97Å; K352-F354 HydrophobicContact CD-CZ 4.25Å
355F96.6Very high78.9Confident1 Ų170.3 Ų70.30%0.00441%0.407CS..EExtended strand (participates in β ladder)trans-126.6160.3-177.3-52.8-96.9000111.7L194 L195 F196 V250 I276 I281 F323 L324 L353L194-F355 HydrophobicContact CB-CB 4.3Å; L194-F355 HydrophobicContact CB-CD1 4.28Å; L194-F355 HydrophobicContact CD1-CB 4.1Å; L194-F355 HydrophobicContact CD1-CD1 4.3Å; L194-F355 HydrophobicContact CD1-CG 4.25Å; L195-F355 CarbonylContact O-C 3.53Å; L195-F355 WeakPolarHBondContact O-CA 3.35Å; F196-F355 HydrophobicContact CB-CD1 3.65Å; F196-F355 HydrophobicContact CB-CE1 3.59Å; F196-F355 AromaticContact CD1-CE1 3.77Å; F196-F355 HydrophobicContact CD1-CE1 3.77Å; F196-F355 HydrophobicContact CD1-CZ 4.28Å; F196-F355 AromaticContact CD2-CD1 3.73Å; F196-F355 HydrophobicContact CD2-CD1 3.73Å; F196-F355 AromaticContact CD2-CE1 3.35Å; F196-F355 HydrophobicContact CD2-CE1 3.35Å; F196-F355 HydrophobicContact CD2-CE2 4.32Å; F196-F355 HydrophobicContact CD2-CG 4.35Å; F196-F355 AromaticContact CD2-CZ 3.68Å; F196-F355 HydrophobicContact CD2-CZ 3.68Å; F196-F355 HydrophobicContact CE1-CE1 4.25Å; F196-F355 HydrophobicContact CE1-CZ 4.3Å; F196-F355 AromaticContact CE2-CE1 3.88Å; F196-F355 HydrophobicContact CE2-CE1 3.88Å; F196-F355 HydrophobicContact CE2-CE2 4.27Å; F196-F355 AromaticContact CE2-CZ 3.71Å; F196-F355 HydrophobicContact CE2-CZ 3.71Å; F196-F355 AromaticContact CG-CD1 3.79Å; F196-F355 HydrophobicContact CG-CD1 3.79Å; F196-F355 AromaticContact CG-CE1 3.29Å; F196-F355 HydrophobicContact CG-CE1 3.29Å; F196-F355 AromaticContact CG-CZ 3.99Å; F196-F355 HydrophobicContact CG-CZ 3.99Å; F196-F355 HydrophobicContact CZ-CE1 4.3Å; F196-F355 HydrophobicContact CZ-CZ 4.03Å; V250-F355 HydrophobicContact CG2-CD1 4.12Å; V250-F355 HydrophobicContact CG2-CE1 4.04Å; I276-F355 HydrophobicContact CD1-CE2 4.47Å; I276-F355 HydrophobicContact CD1-CZ 3.84Å; I281-F355 HydrophobicContact CD1-CD1 4.07Å; I281-F355 HydrophobicContact CD1-CD2 3.72Å; I281-F355 HydrophobicContact CD1-CE1 3.89Å; I281-F355 HydrophobicContact CD1-CE2 3.5Å; I281-F355 HydrophobicContact CD1-CG 4Å; I281-F355 HydrophobicContact CD1-CZ 3.61Å; I281-F355 HydrophobicContact CG1-CD2 4.5Å; I281-F355 HydrophobicContact CG1-CE2 4.32Å; I281-F355 HydrophobicContact CG2-CD2 3.75Å; I281-F355 HydrophobicContact CG2-CE2 4.27Å; I281-F355 HydrophobicContact CG2-CG 4.35Å; F323-F355 CarbonylContact C-O 3.21Å; F323-F355 WeakPolarHBondContact CA-O 3.43Å; L324-F355 HydrophobicContact CB-CB 4.22Å; L324-F355 PolarHBondContact N-O 3.02Å; L324-F355 PolarHBondContact O-N 3.19Å; L353-F355 HydrophobicContact CB-CD2 4.35Å; L353-F355 HydrophobicContact CB-CE2 3.39Å; L353-F355 HydrophobicContact CB-CZ 3.85Å; L353-F355 HydrophobicContact CD1-CE2 4.4Å; L353-F355 HydrophobicContact CD1-CZ 4.38Å
356T94.9Very high75.9Confident29 Ų2977.4 Ų77.418%0.17845%0.445CS..EExtended strand (participates in β ladder)trans-127.2156.5162.761.90000109.4L194 L195 H197 F323L194-T356 WeakPolarHBondContact CA-O 3.46Å; L195-T356 PolarHBondContact N-O 3.34Å; L195-T356 PolarHBondContact O-N 2.7Å; H197-T356 VanDerWaalsContact NE2-CG2 3.34Å; H197-T356 WeakPolarHBondContact NE2-CG2 3.48Å; H197-T356 PolarHBondContact NE2-OG1 2.83Å; F323-T356 HydrophobicContact CD1-CG2 3.72Å; F323-T356 HydrophobicContact CE1-CG2 3.89Å
357K91.7Very high72.9Confident123 Ų12381.8 Ų81.854%0.53547%0.471SS..EExtended strand (participates in β ladder)trans-63.4144.2168.4-63.8-177.5-179.9177.10109.2L194 L324L194-K357 HydrophobicContact CD2-CG 4.27Å; L324-K357 HydrophobicContact CD1-CG 4.14Å
358T85.6Confident69.7Low61 Ų6184 Ų8437%0.37449%0.487SS..  trans-67.4142.7156.953.40000106.7A193 L195 E360A193-T358 HydrophobicContact CB-CG2 4.23Å; A193-T358 PolarHBondContact O-N 3.41Å; A193-T358 PolarHBondContact O-OG1 2.94Å; L195-T358 HydrophobicContact CD2-CG2 4.12Å; L195-T358 HydrophobicContact CG-CG2 3.99Å; T358-E360 PolarHBondContact O-N 3.13Å
359V74.3Confident66.6Low148 Ų14884.8 Ų84.890%0.89750%0.5SS*.SBendtrans-43.7138-166.8-163.60000112.8E361V359-E361 PolarHBondContact O-N 3.35Å
360E53.5Low63.5Low169 Ų16992.7 Ų92.779%0.7954%0.538SS*.  trans-46.9130.9-174.8-66.9-177.715700113.2T358 G362T358-E360 PolarHBondContact O-N 3.13Å; E360-G362 VanDerWaalsContact C-N 3.35Å; E360-G362 PolarHBondContact O-N 2.91Å
361E44.1Very low60.3Low186 Ų18695.4 Ų95.487%0.86956%0.564SS**  trans-6099.6162.7-76.5178.9161.600108V359 A363V359-E361 PolarHBondContact O-N 3.35Å; E361-A363 PolarHBondContact O-N 2.86Å
362G37.4Very low57Low71 Ų71101.4 Ų101.473%0.73260%0.6SS**  trans-54.5135.416700000109.9E360E360-G362 VanDerWaalsContact C-N 3.35Å; E360-G362 PolarHBondContact O-N 2.91Å
363A39.8Very low53.9Low92 Ų92104.4 Ų104.476%0.7663%0.628SS**SBendtrans-42.4142.7-179.900000114.6E361E361-A363 PolarHBondContact O-N 2.86Å
364N36.7Very low50.6Low150 Ų150110.3 Ų110.380%0.80266%0.664SS**  trans70.8100167.5-67.7-6.9000118.2
365C29.5Very low47.5Very low124 Ų124116.1 Ų116.184%0.83870%0.7SS**  trans-139.267.2136.571.10000111.8T367C365-T367 PolarHBondContact O-N 2.96Å
366D35.1Very low44.4Very low154 Ų154121.9 Ų121.982%0.82474%0.737SS**  trans-67.789.4152.7-80.4-32.6000107.9
367T33.9Very low41.2Very low124 Ų124127.7 Ų127.776%0.76177%0.767SS**  trans158.7106.814543.40000109.1C365C365-T367 PolarHBondContact O-N 2.96Å
368C28.7Very low38.7Very low136 Ų136128.2 Ų128.292%0.91978%0.781SS**  -162.6118.9128.8-1090000110.2
369S32.5Very low36Very low107 Ų107130 Ų13075%0.74880%0.795SS**  trans-80.3149.4-177.2-41.50000111.5
370M31.5Very low34Very low166 Ų166130.2 Ų130.282%0.81879%0.791SS**  trans62.9119.9145.6-63.3-76.299.500120.7
371S31.5Very low32.9Very low105 Ų105130.1 Ų130.173%0.73480%0.797SS**  trans62.4115.1139.860.50000119.9
372T27.3Very low32.3Very low125 Ų125130.1 Ų130.177%0.76780%0.796SS**  -156.9121.1109.834.90000109.9V374T372-V374 PolarHBondContact O-N 2.57Å
373S32.6Very low31.9Very low118 Ų118131.8 Ų131.883%0.82579%0.794SS**  trans-61.2120.8163.346.80000110
374V29.6Very low31.5Very low123 Ų123134 Ų13475%0.74579%0.794SS**  trans-117104.1169.2-170.10000107.3T372T372-V374 PolarHBondContact O-N 2.57Å
375T31.1Very low31.1Very low127 Ų127135.5 Ų135.578%0.77980%0.795SS**PPolyproline II helixtrans-68.5130.1166.444.20000109.1D377T375-D377 PolarHBondContact O-N 3.19Å
376P31.7Very low31.1Very low121 Ų121139 Ų13979%0.78679%0.792SS**PPolyproline II helixtrans-79.1118.9166.4-3.120.9000108.8
377D26.6Very low30.6Very low152 Ų152143.6 Ų143.681%0.81380%0.798SS**PPolyproline II helixtrans-63142.5171.3-158.2-4.3000110.6T375T375-D377 PolarHBondContact O-N 3.19Å
378V39.4Very low30.4Very low134 Ų134146.4 Ų146.481%0.81280%0.796SS**  trans-90.6109.6-176.1177.20000107.5
379S29.9Very low30.3Very low98 Ų98143.9 Ų143.969%0.68578%0.78SS**  trans-147.9123.2158.347.40000111.9
380D31.7Very low30Very low152 Ų152145.4 Ų145.481%0.81378%0.78SS**  trans53.894152.3-57.3-19.3000119.1
381N30.4Very low29.8Very low168 Ų168142.3 Ų142.390%0.89877%0.77SS**  trans-127.9119.1141.4-93.4-32.9000108.8
382E31.5Very low29.8Very low185 Ų185139.8 Ų139.886%0.86475%0.751SS**  trans-58.8150.3173.4-72.7-152.2147.100112D384E382-D384 PolarHBondContact O-N 2.71Å; E382-D384 VanDerWaalsContact O-N 3.17Å
383P29.8Very low30.2Very low106 Ų106135.3 Ų135.369%0.68872%0.722SS**  trans-80101.5-179.231.1-30.6000110.5H385P383-H385 PolarHBondContact O-N 2.82Å
384D30.4Very low30.2Very low140 Ų140132.2 Ų132.275%0.74970%0.7SS**  trans-65.4104.1162.2-95.4-23.9000109.2E382 Y386E382-D384 PolarHBondContact O-N 2.71Å; E382-D384 VanDerWaalsContact O-N 3.17Å; D384-Y386 VanDerWaalsContact C-N 3.25Å; D384-Y386 HydrophobicContact CB-CD2 4.11Å; D384-Y386 HydrophobicContact CB-CE2 4.23Å; D384-Y386 PolarHBondContact O-N 3.49Å
385H29.2Very low30.6Very low180 Ų180128 Ų12883%0.83367%0.674SS**  trans-65.479.2172.2-86.2-62.2000111.2P383P383-H385 PolarHBondContact O-N 2.82Å
386Y29.3Very low30.9Very low197 Ų197127.3 Ų127.377%0.77367%0.671SS**  trans-99.798.1158.9-72.8-71.6000109.8D384 Y388D384-Y386 VanDerWaalsContact C-N 3.25Å; D384-Y386 HydrophobicContact CB-CD2 4.11Å; D384-Y386 HydrophobicContact CB-CE2 4.23Å; D384-Y386 PolarHBondContact O-N 3.49Å; Y386-Y388 VanDerWaalsContact C-N 3.32Å; Y386-Y388 PolarHBondContact O-N 3.15Å
387R24.8Very low31.3Very low252 Ų252125.7 Ų125.795%0.95165%0.653SS**  trans-58.293.7166.1-140.3179.5-169167.92.3107.7S389R387-S389 PolarHBondContact O-N 2.71Å; R387-S389 VanDerWaalsContact O-N 3.11Å
388Y28Very low32Very low182 Ų182120.7 Ų120.771%0.71463%0.626SS**  trans-66.3110.9168.4-155.9-94.7000106.3Y386 D390Y386-Y388 VanDerWaalsContact C-N 3.32Å; Y386-Y388 PolarHBondContact O-N 3.15Å; Y388-D390 PolarHBondContact O-N 3.32Å; Y388-D390 VanDerWaalsContact O-N 3.1Å
389S26.5Very low32.1Very low83 Ų83117.7 Ų117.758%0.5860%0.603SS**  trans-61114.1166.351.40000106.7R387 T391R387-S389 PolarHBondContact O-N 2.71Å; R387-S389 VanDerWaalsContact O-N 3.11Å; S389-T391 VanDerWaalsContact C-N 3.29Å; S389-T391 PolarHBondContact O-N 3.5Å
390D26.9Very low32.5Very low140 Ų140117.5 Ų117.575%0.74960%0.6SS**  trans-46.4100.7163.6-126.7-21.4000106.9Y388Y388-D390 PolarHBondContact O-N 3.32Å; Y388-D390 VanDerWaalsContact O-N 3.1Å
391T27.1Very low32.9Very low101 Ų101116.2 Ų116.262%0.6259%0.588SS**  trans-113.675.3165.944.50000103.5S389 D393S389-T391 VanDerWaalsContact C-N 3.29Å; S389-T391 PolarHBondContact O-N 3.5Å; T391-D393 PolarHBondContact O-N 3.42Å
392T32.5Very low33.5Very low52 Ų52111.4 Ų111.432%0.31956%0.559SS.*  trans-26.3129.2157.341.30000110.7S394 E399T392-S394 PolarHBondContact O-N 2.96Å; T392-S394 PolarHBondContact O-OG 2.87Å; T392-E399 WeakPolarHBondContact CB-OE1 3.42Å; T392-E399 PolarHBondContact OG1-OE1 3.38Å
393D34.6Very low34Very low30 Ų30107.6 Ų107.616%0.1655%0.545CS..  trans-71.677.6167.3-151.5-47.8000106.6K270 H273 K338 T391 D395K270-D393 IonicContact NZ-OD2 3.42Å; K270-D393 PolarHBondContact NZ-OD2 3.21Å; H273-D393 IonicContact CE1-OD2 2.74Å; H273-D393 PolarHBondContact CE1-OD2 2.73Å; K338-D393 IonicContact NZ-OD1 3.61Å; T391-D393 PolarHBondContact O-N 3.42Å; D393-D395 PolarHBondContact O-N 3.24Å
394S33.3Very low34.4Very low53 Ų53107.2 Ų107.237%0.37154%0.537SS..  trans-51.6102.8-174.9-43.20000109.2T392 P396 E399T392-S394 PolarHBondContact O-N 2.96Å; T392-S394 PolarHBondContact O-OG 2.87Å; S394-P396 WeakPolarHBondContact O-CD 3.46Å; S394-E399 WeakPolarHBondContact CB-OE2 3.29Å; S394-E399 PolarHBondContact OG-OE2 2.86Å
395D38.3Very low34.9Very low35 Ų35102.2 Ų102.219%0.18751%0.51CS..  trans-57.5124145.3-146.3-22.6000104.3D393 E397 N398D393-D395 PolarHBondContact O-N 3.24Å; D395-E397 CarbonylContact O-C 3.56Å; D395-E397 PolarHBondContact O-N 3.48Å; D395-N398 HydrophobicContact CB-CB 3.68Å; D395-N398 WeakPolarHBondContact CB-ND2 3.18Å; D395-N398 WeakPolarHBondContact O-CA 3.36Å; D395-N398 PolarHBondContact O-N 3.05Å
396P36.6Very low35.5Very low112 Ų11297.8 Ų97.873%0.72749%0.49SS*.THydrogen-bonded Turntrans-60.2-14.8175.222.3-31.3000111.7S394S394-P396 WeakPolarHBondContact O-CD 3.46Å
397E39.8Very low36Very low87 Ų8790.8 Ų90.841%0.40747%0.47SS..THydrogen-bonded Turntrans-72.4-35.3165.6-64.9-179.9-176.100111.7R12 K165 D395R12-E397 PolarHBondContact NH1-O 2.88Å; R12-E397 PolarHBondContact NH2-O 3.38Å; K165-E397 IonicContact NZ-OE1 3.54Å; D395-E397 CarbonylContact O-C 3.56Å; D395-E397 PolarHBondContact O-N 3.48Å
398N42.4Very low36.9Very low47 Ų4784.8 Ų84.825%0.25145%0.453SS..THydrogen-bonded Turntrans-81.5-10.2-165.1-78.6-6.6000117.9R12 D395R12-N398 VanDerWaalsContact CZ-CA 3.5Å; R12-N398 PolarHBondContact NE-OD1 3.36Å; R12-N398 PolarHBondContact NH1-OD1 3.05Å; R12-N398 VanDerWaalsContact NH2-CA 3.28Å; D395-N398 HydrophobicContact CB-CB 3.68Å; D395-N398 WeakPolarHBondContact CB-ND2 3.18Å; D395-N398 WeakPolarHBondContact O-CA 3.36Å; D395-N398 PolarHBondContact O-N 3.05Å
399E41.9Very low37.7Very low71 Ų7178.5 Ų78.533%0.33243%0.431SS..SBendtrans-111.3-17-159.1-71-121.912800119.3T392 S394 F401T392-E399 WeakPolarHBondContact CB-OE1 3.42Å; T392-E399 PolarHBondContact OG1-OE1 3.38Å; S394-E399 WeakPolarHBondContact CB-OE2 3.29Å; S394-E399 PolarHBondContact OG-OE2 2.86Å; E399-F401 PolarHBondContact O-N 3.27Å; E399-F401 VanDerWaalsContact O-N 3.14Å
400P38.1Very low38.3Very low95 Ų9578.8 Ų78.862%0.61743%0.429SS*.SBendtrans-44.7-46.4172.745.4-26.1000118.3
401F39.8Very low38.8Very low125 Ų12580.6 Ų80.655%0.54843%0.43SS..SBendtrans-122.8-20.3-141.2-117-91.6000113.6I9 E399 L405I9-F401 HydrophobicContact CD1-CE1 4.38Å; I9-F401 HydrophobicContact CG2-CD1 4.26Å; I9-F401 HydrophobicContact CG2-CG 4.42Å; E399-F401 PolarHBondContact O-N 3.27Å; E399-F401 VanDerWaalsContact O-N 3.14Å; F401-L405 WeakPolarHBondContact O-CB 3.48Å; F401-L405 PolarHBondContact O-N 3.15Å
402E43.6Very low39.1Very low66 Ų6685 Ų8531%0.30846%0.456SS..Hα-helixtrans-83.9-44.2-170.4-63.9-165.5179.700112.7H406E402-H406 PolarHBondContact O-N 2.79Å
403D40.3Very low39.4Very low105 Ų10586.6 Ų86.656%0.56146%0.463SS*.Hα-helixtrans-79-34.9179.5-72.7-18.5000112.6H406 S407D403-H406 PolarHBondContact O-N 2.93Å; D403-S407 WeakPolarHBondContact O-CB 3.36Å; D403-S407 PolarHBondContact O-N 2.75Å; D403-S407 PolarHBondContact O-OG 2.91Å
404D38.5Very low39.7Very low98 Ų9889.6 Ų89.652%0.52448%0.479SS..Hα-helixtrans-66-37.8175.2-96-8.5000111.6S407 Q408D404-S407 PolarHBondContact O-OG 3.14Å; D404-S407 VanDerWaalsContact O-OG 3.05Å; D404-Q408 WeakPolarHBondContact O-CB 3.35Å; D404-Q408 WeakPolarHBondContact O-CG 3.41Å; D404-Q408 PolarHBondContact O-N 3.09Å; D404-Q408 VanDerWaalsContact O-N 3.08Å
405L42Very low40Very low35 Ų3591.6 Ų91.618%0.18349%0.485CS..Hα-helixtrans-71.6-37.8177-167.972.8000112I6 F401 Q408 I409I6-L405 HydrophobicContact CG2-CD2 3.66Å; F401-L405 WeakPolarHBondContact O-CB 3.48Å; F401-L405 PolarHBondContact O-N 3.15Å; L405-Q408 PolarHBondContact O-N 2.85Å; L405-I409 HydrophobicContact CD1-CD1 4.08Å; L405-I409 HydrophobicContact CD1-CG1 4.46Å; L405-I409 HydrophobicContact CD2-CD1 4.17Å; L405-I409 HydrophobicContact CG-CD1 3.69Å; L405-I409 HydrophobicContact CG-CG1 4.35Å; L405-I409 WeakPolarHBondContact O-CB 3.21Å; L405-I409 VanDerWaalsContact O-CG1 3.27Å; L405-I409 WeakPolarHBondContact O-CG1 3.44Å; L405-I409 PolarHBondContact O-N 2.84Å
406H41Very low40.1Very low88 Ų8894.9 Ų94.941%0.40750%0.503SS..Hα-helixtrans-65.4-42.5176.8-165.356.6000111.9E402 D403 Q408 T410E402-H406 PolarHBondContact O-N 2.79Å; D403-H406 PolarHBondContact O-N 2.93Å; H406-Q408 VanDerWaalsContact C-N 3.33Å; H406-Q408 PolarHBondContact O-N 3.25Å; H406-T410 PolarHBondContact O-N 2.96Å; H406-T410 PolarHBondContact O-OG1 3.35Å
407S41.1Very low40.4Very low50 Ų5093.9 Ų93.935%0.3549%0.489SS..Hα-helixtrans-68.9-28.1176.975.90000113.6D403 D404 K411D403-S407 WeakPolarHBondContact O-CB 3.36Å; D403-S407 PolarHBondContact O-N 2.75Å; D403-S407 PolarHBondContact O-OG 2.91Å; D404-S407 PolarHBondContact O-OG 3.14Å; D404-S407 VanDerWaalsContact O-OG 3.05Å; S407-K411 WeakPolarHBondContact O-CG 3.36Å
408Q41.8Very low40.4Very low126 Ų12694.3 Ų94.359%0.58949%0.494SS*.Hα-helixtrans-80.6-35.4175.5-73.5176.229.400113.1D404 L405 H406D404-Q408 WeakPolarHBondContact O-CB 3.35Å; D404-Q408 WeakPolarHBondContact O-CG 3.41Å; D404-Q408 PolarHBondContact O-N 3.09Å; D404-Q408 VanDerWaalsContact O-N 3.08Å; L405-Q408 PolarHBondContact O-N 2.85Å; H406-Q408 VanDerWaalsContact C-N 3.33Å; H406-Q408 PolarHBondContact O-N 3.25Å
409I45.8Very low40.3Very low50 Ų5097.7 Ų97.726%0.25651%0.512SS..Hα-helixtrans-77.5-34.6-178.9-68.7173.7000112.3L43 L405 K411L43-I409 HydrophobicContact CD2-CG2 4.47Å; L405-I409 HydrophobicContact CD1-CD1 4.08Å; L405-I409 HydrophobicContact CD1-CG1 4.46Å; L405-I409 HydrophobicContact CD2-CD1 4.17Å; L405-I409 HydrophobicContact CG-CD1 3.69Å; L405-I409 HydrophobicContact CG-CG1 4.35Å; L405-I409 WeakPolarHBondContact O-CB 3.21Å; L405-I409 VanDerWaalsContact O-CG1 3.27Å; L405-I409 WeakPolarHBondContact O-CG1 3.44Å; L405-I409 PolarHBondContact O-N 2.84Å; I409-K411 PolarHBondContact O-N 3.23Å
410T39.4Very low40.1Very low89 Ų8999.8 Ų99.855%0.54653%0.525SS..THydrogen-bonded Turntrans-75.8-2.117846.70000114.6H406H406-T410 PolarHBondContact O-N 2.96Å; H406-T410 PolarHBondContact O-OG1 3.35Å
411K37.2Very low40.3Very low177 Ų177100.2 Ų100.277%0.7752%0.518SS*.THydrogen-bonded Turntrans-100.211.7-179.8-82.2-174.4178.6178.20114.8S407 I409S407-K411 WeakPolarHBondContact O-CG 3.36Å; I409-K411 PolarHBondContact O-N 3.23Å
412V33.4Very low40.4Very low193 Ų19397.9 Ų97.9100%1.1752%0.515SS*.  trans-117.40178.5-174.40000111.2

Retrieved 412 of 412 residues in 341.3 ms (Link to these results)

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