A0A087XZ02_POEFO Loading...

BRISC and BRCA1-A complex member 2

May play a role in homeostasis or cellular differentiation in cells of neural, epithelial and germline origins. May also act as a death receptor-associated anti-apoptotic protein, which inhibits the mitochondrial apoptotic pathway.

AlphaFold DB , UniProt , Accession A0A087XZ02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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
1M31.6Very low66.6Low234 Ų234102.5 Ų102.5100%1.15354%0.539SS*.  01190-78.6167.4169.500106.9N3M1-N3 PolarHBondContact O-N 3.3Å
2N34.2Very low68.7Low166 Ų166103.3 Ų103.389%0.88853%0.529SS*.  trans-67.8115.9-174.4-74.9-9.9000109.7M4N2-M4 PolarHBondContact O-N 3.3Å; N2-M4 VanDerWaalsContact O-N 3.13Å
3N47.1Very low70.7Confident137 Ų13795.5 Ų95.573%0.73349%0.49SS*.  trans-63.4111169.1-74.1-18.9000107.9M1M1-N3 PolarHBondContact O-N 3.3Å
4M60.5Low72.4Confident90 Ų9089.3 Ų89.344%0.44346%0.459SS..  trans-66135.4167.9-89.9-174.3-75.800108.7N2 V8N2-M4 PolarHBondContact O-N 3.3Å; N2-M4 VanDerWaalsContact O-N 3.13Å; M4-V8 HydrophobicContact CG-CG1 4.32Å; M4-V8 HydrophobicContact SD-CG1 4.15Å
5S72.3Confident73.9Confident56 Ų5688.1 Ų88.139%0.39246%0.459SS..  trans-65149.217264.40000109.8E7 V8 A9S5-E7 PolarHBondContact O-N 3.17Å; S5-V8 PolarHBondContact O-N 2.79Å; S5-V8 VanDerWaalsContact O-N 3.09Å; S5-V8 VanDerWaalsContact OG-CG2 3.26Å; S5-V8 WeakPolarHBondContact OG-CG2 3.35Å; S5-A9 PolarHBondContact O-N 3.17Å; S5-A9 VanDerWaalsContact O-N 3.16Å
6P75.1Confident75.2Confident70 Ų7090.1 Ų90.146%0.45547%0.465SS..Hα-helixtrans-59.3-33.1-178.4-20.230000112.7V8 A9 L10 V25P6-V8 PolarHBondContact O-N 3.24Å; P6-A9 WeakPolarHBondContact O-CB 2.97Å; P6-A9 PolarHBondContact O-N 2.87Å; P6-L10 VanDerWaalsContact O-CG 3.24Å; P6-L10 WeakPolarHBondContact O-CG 3.38Å; P6-L10 PolarHBondContact O-N 2.96Å; P6-V25 HydrophobicContact CB-CG1 3.38Å; P6-V25 HydrophobicContact CB-CG2 4.5Å; P6-V25 HydrophobicContact CG-CG1 4.08Å
7E76.7Confident76.4Confident145 Ų14585.2 Ų85.268%0.67844%0.44SS*.Hα-helixtrans-61-44.7175.8-58.7-175.1168.800112.3S5 A9 L10 H11S5-E7 PolarHBondContact O-N 3.17Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.68Å; E7-L10 PolarHBondContact O-N 3.25Å; E7-H11 PolarHBondContact O-CD2 3.43Å; E7-H11 PolarHBondContact O-N 3.42Å
8V79.1Confident77.5Confident72 Ų7284.4 Ų84.444%0.43643%0.431SS..Hα-helixtrans-66-37.3177.6172.10000111.3M4 S5 P6M4-V8 HydrophobicContact CG-CG1 4.32Å; M4-V8 HydrophobicContact SD-CG1 4.15Å; S5-V8 PolarHBondContact O-N 2.79Å; S5-V8 VanDerWaalsContact O-N 3.09Å; S5-V8 VanDerWaalsContact OG-CG2 3.26Å; S5-V8 WeakPolarHBondContact OG-CG2 3.35Å; P6-V8 PolarHBondContact O-N 3.24Å
9A81Confident78.4Confident4 Ų483.3 Ų83.33%0.03343%0.429CS..Hα-helixtrans-63-45.717500000111.6S5 P6 E7 H11 R12 L43S5-A9 PolarHBondContact O-N 3.17Å; S5-A9 VanDerWaalsContact O-N 3.16Å; P6-A9 WeakPolarHBondContact O-CB 2.97Å; P6-A9 PolarHBondContact O-N 2.87Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.68Å; A9-H11 VanDerWaalsContact C-N 3.27Å; A9-H11 PolarHBondContact O-N 2.9Å; A9-R12 PolarHBondContact O-N 2.63Å; A9-R12 VanDerWaalsContact O-N 3.08Å; A9-L43 HydrophobicContact CB-CD1 4Å; A9-L43 HydrophobicContact CB-CD2 4.06Å; A9-L43 VanDerWaalsContact O-CD2 3.3Å; A9-L43 WeakPolarHBondContact O-CD2 3.36Å
10L85.8Confident79.2Confident17 Ų1779.3 Ų79.39%0.08941%0.409CS..Hα-helixtrans-62.3-29.8-178.2-71.1168.7000113.6P6 E7 R12 R18 L21P6-L10 VanDerWaalsContact O-CG 3.24Å; P6-L10 WeakPolarHBondContact O-CG 3.38Å; P6-L10 PolarHBondContact O-N 2.96Å; E7-L10 PolarHBondContact O-N 3.25Å; L10-R12 VanDerWaalsContact C-N 3.26Å; L10-R12 PolarHBondContact O-N 3.38Å; L10-R18 HydrophobicContact CD2-CG 4.35Å; L10-R18 PolarHBondContact O-NE 3.35Å; L10-L21 HydrophobicContact CD2-CB 4.01Å; L10-L21 HydrophobicContact CD2-CD2 4.15Å; L10-L21 HydrophobicContact CD2-CG 4.2Å
11H89Confident79.9Confident136 Ų13675.7 Ų75.763%0.6339%0.39SS*.Hα-helixtrans-69.3-21.1176.6-76.8-63.1000114.1E7 A9 P54E7-H11 PolarHBondContact O-CD2 3.43Å; E7-H11 PolarHBondContact O-N 3.42Å; A9-H11 VanDerWaalsContact C-N 3.27Å; A9-H11 PolarHBondContact O-N 2.9Å; H11-P54 WeakPolarHBondContact O-CB 3.4Å; H11-P54 WeakPolarHBondContact O-CG 3.17Å
12R91.9Very high82.7Confident112 Ų11265.8 Ų65.842%0.42334%0.344SS..Hα-helixtrans-90.8-19.1-178.7-63.6-179.862.8-169.2-5.7113.5A9 L10 L43 C55 C56A9-R12 PolarHBondContact O-N 2.63Å; A9-R12 VanDerWaalsContact O-N 3.08Å; L10-R12 VanDerWaalsContact C-N 3.26Å; L10-R12 PolarHBondContact O-N 3.38Å; R12-L43 HydrophobicContact CB-CD2 4.16Å; R12-C55 PolarHBondContact O-N 2.89Å; R12-C56 WeakPolarHBondContact O-CB 3.41Å; R12-C56 PolarHBondContact O-N 2.95Å; R12-C56 VanDerWaalsContact O-N 3.12Å
13I94.9Very high85.5Confident3 Ų358.2 Ų58.22%0.01530%0.304CS..BIsolated β-bridgetrans-74.3145.4-178.7-63.1-71.8000110.8L17 R18 L21 L43 P54 C56I13-L17 HydrophobicContact CG2-CB 3.96Å; I13-R18 PolarHBondContact O-NH2 3.34Å; I13-R18 VanDerWaalsContact O-NH2 3.15Å; I13-L21 HydrophobicContact CD1-CD2 3.86Å; I13-L21 HydrophobicContact CG1-CD2 3.66Å; I13-L43 HydrophobicContact CD1-CD2 3.58Å; I13-L43 HydrophobicContact CD1-CG 4.22Å; I13-L43 HydrophobicContact CG1-CD2 3.81Å; I13-P54 WeakPolarHBondContact O-CB 3.2Å; I13-C56 WeakPolarHBondContact CA-O 3.48Å; I13-C56 HydrophobicContact CD1-CB 3.95Å
14S95.2Very high87.6Confident8 Ų851.7 Ų51.76%0.05627%0.269CS..  trans-48.7132.3172.7-178.50000110.5E16 L17 R18 C56S14-E16 PolarHBondContact O-N 3.25Å; S14-E16 VanDerWaalsContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 3.16Å; S14-L17 VanDerWaalsContact O-N 3.09Å; S14-R18 PolarHBondContact O-N 3.32Å; S14-R18 VanDerWaalsContact O-N 3.14Å; S14-C56 PolarHBondContact N-O 2.77Å
15P94.8Very high88.8Confident72 Ų7248.6 Ų48.647%0.46826%0.255SS..THydrogen-bonded Turntrans-53.1-36.3-175.4-27.735.1000114.4R18P15-R18 WeakPolarHBondContact O-CB 3.27Å; P15-R18 PolarHBondContact O-N 2.98Å
16E94.8Very high89.3Confident119 Ų11954.8 Ų54.856%0.55627%0.27SS*.THydrogen-bonded Turntrans-72.5-31.1-177.2-66.1159.7166.700112.5S14 P19 P81S14-E16 PolarHBondContact O-N 3.25Å; S14-E16 VanDerWaalsContact O-N 3.12Å; E16-P19 WeakPolarHBondContact O-CD 3.47Å; E16-P81 HydrophobicContact CB-CB 3.73Å; E16-P81 HydrophobicContact CB-CG 4.13Å; E16-P81 HydrophobicContact CG-CG 4.44Å; E16-P81 VanDerWaalsContact OE2-CG 3.27Å; E16-P81 WeakPolarHBondContact OE2-CG 3.47Å
17L95.8Very high89.6Confident7 Ų755.4 Ų55.44%0.03727%0.269CS..THydrogen-bonded Turntrans-87.3-16.2178.1-59.4177.7000112.9I13 S14 P19 L20 L21 D57 F76 P81I13-L17 HydrophobicContact CG2-CB 3.96Å; S14-L17 PolarHBondContact O-N 3.16Å; S14-L17 VanDerWaalsContact O-N 3.09Å; L17-P19 VanDerWaalsContact C-CD 3.45Å; L17-L20 HydrophobicContact CD2-CD1 4.47Å; L17-L20 WeakPolarHBondContact O-CB 3.42Å; L17-L20 PolarHBondContact O-N 3.46Å; L17-L21 PolarHBondContact O-N 2.97Å; L17-D57 HydrophobicContact CD1-CB 3.75Å; L17-F76 HydrophobicContact CD1-CB 3.52Å; L17-F76 HydrophobicContact CD1-CG 4.01Å; L17-F76 HydrophobicContact CD2-CB 4.19Å; L17-F76 HydrophobicContact CD2-CD1 3.77Å; L17-F76 HydrophobicContact CD2-CE1 4.28Å; L17-F76 HydrophobicContact CD2-CG 4.01Å; L17-P81 HydrophobicContact CD2-CB 4.08Å
18R95Very high89.5Confident72 Ų7248.5 Ų48.527%0.27224%0.237SC..Hα-helixtrans-56.8-41.5-175.6-170.2-178.4-63.6136.69.8113.6L10 I13 S14 P15 L20 L21 C22L10-R18 HydrophobicContact CD2-CG 4.35Å; L10-R18 PolarHBondContact O-NE 3.35Å; I13-R18 PolarHBondContact O-NH2 3.34Å; I13-R18 VanDerWaalsContact O-NH2 3.15Å; S14-R18 PolarHBondContact O-N 3.32Å; S14-R18 VanDerWaalsContact O-N 3.14Å; P15-R18 WeakPolarHBondContact O-CB 3.27Å; P15-R18 PolarHBondContact O-N 2.98Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.35Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-C22 WeakPolarHBondContact O-CB 3.2Å; R18-C22 PolarHBondContact O-N 2.77Å; R18-C22 PolarHBondContact O-SG 3.28Å
19P95.1Very high89.5Confident62 Ų6250 Ų5040%0.40324%0.235SC..Hα-helixtrans-58.2-42.1179.1-2535.7000113.1E16 L17 C22 S23 P113E16-P19 WeakPolarHBondContact O-CD 3.47Å; L17-P19 VanDerWaalsContact C-CD 3.45Å; P19-C22 WeakPolarHBondContact O-CB 3.3Å; P19-C22 PolarHBondContact O-N 2.77Å; P19-S23 PolarHBondContact O-N 3.08Å; P19-S23 VanDerWaalsContact O-N 3.08Å; P19-P113 HydrophobicContact CB-CB 4.12Å; P19-P113 HydrophobicContact CB-CG 4.2Å
20L95.1Very high89.3Confident4 Ų450.4 Ų50.42%0.02124%0.237CC..Hα-helixtrans-60.4-47.9177.6-63.1168.8000111.1L17 R18 S23 V24 F76 W108 N112 P113 L116L17-L20 HydrophobicContact CD2-CD1 4.47Å; L17-L20 WeakPolarHBondContact O-CB 3.42Å; L17-L20 PolarHBondContact O-N 3.46Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.35Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-V24 WeakPolarHBondContact O-CG2 3.33Å; L20-V24 PolarHBondContact O-N 2.76Å; L20-V24 VanDerWaalsContact O-N 3.15Å; L20-F76 HydrophobicContact CD1-CE1 4.11Å; L20-F76 HydrophobicContact CD1-CZ 4.09Å; L20-W108 HydrophobicContact CD1-CH2 4.28Å; L20-W108 HydrophobicContact CD1-CZ2 3.84Å; L20-W108 HydrophobicContact CD2-CH2 4.3Å; L20-W108 HydrophobicContact CD2-CZ2 4.36Å; L20-N112 VanDerWaalsContact CD2-O 3.32Å; L20-N112 WeakPolarHBondContact CD2-O 3.47Å; L20-P113 WeakPolarHBondContact CA-O 3.47Å; L20-L116 HydrophobicContact CB-CB 4.02Å; L20-L116 HydrophobicContact CB-CD2 4.17Å; L20-L116 HydrophobicContact CD2-CB 4.22Å
21L93.1Very high88.9Confident4 Ų451.1 Ų51.12%0.02125%0.249CC..Hα-helixtrans-72.4-33.4-178.8-156.668000112.7L10 I13 L17 R18 S23 V24 V25 V40 F59 L116L10-L21 HydrophobicContact CD2-CB 4.01Å; L10-L21 HydrophobicContact CD2-CD2 4.15Å; L10-L21 HydrophobicContact CD2-CG 4.2Å; I13-L21 HydrophobicContact CD1-CD2 3.86Å; I13-L21 HydrophobicContact CG1-CD2 3.66Å; L17-L21 PolarHBondContact O-N 2.97Å; R18-L21 PolarHBondContact O-N 3.07Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 2.87Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.2Å; L21-V40 HydrophobicContact CD1-CG2 3.97Å; L21-V40 HydrophobicContact CD2-CG1 4.38Å; L21-V40 HydrophobicContact CG-CG2 4.38Å; L21-F59 HydrophobicContact CD1-CD1 4.43Å; L21-F59 HydrophobicContact CD1-CD2 4.14Å; L21-F59 HydrophobicContact CD1-CE1 3.86Å; L21-F59 HydrophobicContact CD1-CE2 3.5Å; L21-F59 VanDerWaalsContact CD1-CE2 3.5Å; L21-F59 HydrophobicContact CD1-CZ 3.36Å; L21-L116 HydrophobicContact CD1-CD2 4.4Å
22C91.3Very high88.5Confident25 Ų2545.5 Ų45.517%0.16922%0.223CC..Hα-helixtrans-58.4-44.6172-81.30000111.4R18 P19 V25 R26R18-C22 WeakPolarHBondContact O-CB 3.2Å; R18-C22 PolarHBondContact O-N 2.77Å; R18-C22 PolarHBondContact O-SG 3.28Å; P19-C22 WeakPolarHBondContact O-CB 3.3Å; P19-C22 PolarHBondContact O-N 2.77Å; C22-V25 PolarHBondContact O-N 3.23Å; C22-R26 VanDerWaalsContact O-CB 3.29Å; C22-R26 WeakPolarHBondContact O-CB 3.3Å; C22-R26 VanDerWaalsContact O-CG 3.29Å; C22-R26 WeakPolarHBondContact O-CG 3.3Å; C22-R26 PolarHBondContact O-N 2.68Å
23S91.3Very high87.3Confident7 Ų741.2 Ų41.25%0.04921%0.209CC..Hα-helixtrans-60.9-49175.31710000111P19 L20 L21 V25 R26 N27 P113 E114P19-S23 PolarHBondContact O-N 3.08Å; P19-S23 VanDerWaalsContact O-N 3.08Å; L20-S23 PolarHBondContact O-N 2.93Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 3.14Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 3.32Å; S23-R26 PolarHBondContact O-N 3.1Å; S23-N27 WeakPolarHBondContact O-CA 3.29Å; S23-N27 VanDerWaalsContact O-CB 3.27Å; S23-N27 WeakPolarHBondContact O-CB 3.45Å; S23-N27 PolarHBondContact O-N 3.23Å; S23-P113 WeakPolarHBondContact CB-O 3.18Å; S23-E114 WeakPolarHBondContact CB-OE1 3.47Å; S23-E114 PolarHBondContact OG-OE1 3.26Å; S23-E114 PolarHBondContact OG-OE2 3.08Å
24V91.1Very high85.5Confident1 Ų141.9 Ų41.91%0.00621%0.214CC..Hα-helixtrans-57-43.9177.6170.60000112.5L20 L21 G28 L38 L61 L116 L117L20-V24 WeakPolarHBondContact O-CG2 3.33Å; L20-V24 PolarHBondContact O-N 2.76Å; L20-V24 VanDerWaalsContact O-N 3.15Å; L21-V24 PolarHBondContact O-N 2.87Å; V24-G28 WeakPolarHBondContact O-CA 3.47Å; V24-G28 PolarHBondContact O-N 2.97Å; V24-L38 HydrophobicContact CG1-CB 4.2Å; V24-L38 HydrophobicContact CG1-CD1 3.71Å; V24-L61 HydrophobicContact CG1-CD1 3.81Å; V24-L116 HydrophobicContact CG2-CB 4.15Å; V24-L116 HydrophobicContact CG2-CD2 3.65Å; V24-L116 HydrophobicContact CG2-CG 3.67Å; V24-L117 HydrophobicContact CG2-CB 4.12Å
25V86.4Confident83.6Confident24 Ų2444.1 Ų44.115%0.14523%0.227CC..Hα-helixtrans-72.1-39.7-178.5166.80000112.2P6 L21 C22 S23 V40P6-V25 HydrophobicContact CB-CG1 3.38Å; P6-V25 HydrophobicContact CB-CG2 4.5Å; P6-V25 HydrophobicContact CG-CG1 4.08Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.2Å; C22-V25 PolarHBondContact O-N 3.23Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 3.32Å; V25-V40 HydrophobicContact CG2-CG2 4.11Å
26R83.4Confident82.2Confident186 Ų18645 Ų4570%0.70223%0.228SC*.Hα-helixtrans-84.3-39.7-174.4-68.9177.3175.6-177.5-2112.9C22 S23C22-R26 VanDerWaalsContact O-CB 3.29Å; C22-R26 WeakPolarHBondContact O-CB 3.3Å; C22-R26 VanDerWaalsContact O-CG 3.29Å; C22-R26 WeakPolarHBondContact O-CG 3.3Å; C22-R26 PolarHBondContact O-N 2.68Å; S23-R26 PolarHBondContact O-N 3.1Å
27N82.1Confident81.1Confident83 Ų8342 Ų4244%0.44422%0.219SC..Hα-helixtrans-109.7-3.4-172-55.9-19.2000112.3S23 R29 E114 L117S23-N27 WeakPolarHBondContact O-CA 3.29Å; S23-N27 VanDerWaalsContact O-CB 3.27Å; S23-N27 WeakPolarHBondContact O-CB 3.45Å; S23-N27 PolarHBondContact O-N 3.23Å; N27-R29 PolarHBondContact O-N 3.4Å; N27-E114 PolarHBondContact ND2-OE1 3.29Å; N27-L117 HydrophobicContact CB-CD2 3.64Å
28G73.6Confident80.6Confident1 Ų141.9 Ų41.91%0.0122%0.219CC..  trans-73.158.5-179.600000114.1V24 L38V24-G28 WeakPolarHBondContact O-CA 3.47Å; V24-G28 PolarHBondContact O-N 2.97Å; G28-L38 VanDerWaalsContact O-CG 3.31Å; G28-L38 WeakPolarHBondContact O-CG 3.44Å; G28-L38 PolarHBondContact O-N 3.22Å
29R78.3Confident80.3Confident103 Ų10344.7 Ų44.739%0.38923%0.229SC..  trans-88.6107.2157.9-66.2-171.7-170.9-1762.7106.2N27 D198N27-R29 PolarHBondContact O-N 3.4Å; R29-D198 IonicContact CZ-OD2 3.78Å; R29-D198 IonicContact NH2-OD2 2.67Å; R29-D198 PolarHBondContact NH2-OD2 3.03Å
30V77.2Confident80.1Confident12 Ų1242.6 Ų42.67%0.07322%0.216CC..  trans-127.1143.1177.8-164.10000109L38 L117 K121 I124V30-L38 HydrophobicContact CG2-CD1 3.89Å; V30-L38 HydrophobicContact CG2-CD2 4.49Å; V30-L38 HydrophobicContact CG2-CG 4.27Å; V30-L117 HydrophobicContact CG2-CD1 4.14Å; V30-K121 HydrophobicContact CG1-CG 4.13Å; V30-K121 HydrophobicContact CG2-CG 4.16Å; V30-I124 HydrophobicContact CB-CD1 3.96Å; V30-I124 HydrophobicContact CG1-CB 4.31Å; V30-I124 HydrophobicContact CG1-CD1 3.37Å; V30-I124 HydrophobicContact CG1-CG1 4.43Å; V30-I124 HydrophobicContact CG1-CG2 4.14Å; V30-I124 HydrophobicContact CG2-CD1 4.36Å
31G77.7Confident80Confident33 Ų3344.4 Ų44.434%0.3423%0.227SC..SBendtrans74.1-167.5-17800000114.4E159G31-E159 VanDerWaalsContact C-OE1 3.29Å; G31-E159 WeakPolarHBondContact CA-OE1 3.28Å
32L79.7Confident80Confident17 Ų1748.4 Ų48.49%0.08925%0.248CC..SBendtrans-81.7-29.4-178.2-59.8178000113.2S34 N157 E159 L177 K179 L205L32-S34 PolarHBondContact O-N 3.3Å; L32-N157 VanDerWaalsContact CD1-C 3.43Å; L32-N157 VanDerWaalsContact CD1-O 3.3Å; L32-N157 WeakPolarHBondContact CD1-O 3.15Å; L32-E159 HydrophobicContact CD1-CB 3.96Å; L32-E159 HydrophobicContact CD1-CG 3.78Å; L32-E159 HydrophobicContact CG-CG 3.85Å; L32-E159 PolarHBondContact N-OE1 3.5Å; L32-L177 HydrophobicContact CB-CD2 4.15Å; L32-L177 WeakPolarHBondContact CD1-O 3.43Å; L32-K179 HydrophobicContact CD2-CB 4.21Å; L32-L205 HydrophobicContact CB-CD2 4.27Å
33D67.7Low80.1Confident23 Ų2347.9 Ų47.912%0.12324%0.244CC..  trans-82.240.1176.3-164.131.3000111.7T35 N36 P64 L177 L205D33-T35 PolarHBondContact O-N 2.86Å; D33-T35 PolarHBondContact OD1-OG1 2.7Å; D33-N36 PolarHBondContact O-N 3.09Å; D33-N36 PolarHBondContact OD2-ND2 2.95Å; D33-P64 HydrophobicContact CB-CB 4.2Å; D33-L177 HydrophobicContact CB-CD2 4.38Å; D33-L205 HydrophobicContact CB-CD1 4.32Å
34S56.9Low80.3Confident17 Ų1754.1 Ų54.112%0.11927%0.27CS..THydrogen-bonded Turntrans-63.4-8.8-17563.80000114.2L32 N36L32-S34 PolarHBondContact O-N 3.3Å; S34-N36 VanDerWaalsContact C-N 3.26Å
35T55.4Low80.4Confident54 Ų5456.9 Ų56.933%0.33129%0.287SS..THydrogen-bonded Turntrans-67.4-26.2167.6450000112.5D33 V203D33-T35 PolarHBondContact O-N 2.86Å; D33-T35 PolarHBondContact OD1-OG1 2.7Å; T35-V203 HydrophobicContact CG2-CG2 3.99Å
36N65.1Low80.7Confident90 Ų9057.6 Ų57.648%0.48130%0.299SS..SBendtrans-95.8112.7170.4-75.2-43.3000109.4D33 S34 P64D33-N36 PolarHBondContact O-N 3.09Å; D33-N36 PolarHBondContact OD2-ND2 2.95Å; S34-N36 VanDerWaalsContact C-N 3.26Å; N36-P64 HydrophobicContact CB-CB 4.1Å; N36-P64 HydrophobicContact CB-CG 3.97Å; N36-P64 VanDerWaalsContact O-CG 3.29Å; N36-P64 WeakPolarHBondContact O-CG 3.36Å
37C71.5Confident81.2Confident57 Ų5749.6 Ų49.639%0.38527%0.272SS..  trans-68152.2174.5-60.80000111.1R39C37-R39 WeakPolarHBondContact O-CG 3.36Å; C37-R39 PolarHBondContact O-N 3.16Å
38L86.1Confident81.6Confident5 Ų549.9 Ų49.93%0.02628%0.276CS..  trans-50.8130.2165.5-70.1-177.8000110.3V24 G28 V30 L61 I63 L117 V120V24-L38 HydrophobicContact CG1-CB 4.2Å; V24-L38 HydrophobicContact CG1-CD1 3.71Å; G28-L38 VanDerWaalsContact O-CG 3.31Å; G28-L38 WeakPolarHBondContact O-CG 3.44Å; G28-L38 PolarHBondContact O-N 3.22Å; V30-L38 HydrophobicContact CG2-CD1 3.89Å; V30-L38 HydrophobicContact CG2-CD2 4.49Å; V30-L38 HydrophobicContact CG2-CG 4.27Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CD1-CD1 4.48Å; L38-L61 HydrophobicContact CD1-CD2 4.38Å; L38-I63 HydrophobicContact CD2-CB 3.9Å; L38-I63 HydrophobicContact CD2-CG1 3.63Å; L38-I63 HydrophobicContact CD2-CG2 3.96Å; L38-L117 HydrophobicContact CD1-CD1 4.19Å; L38-V120 HydrophobicContact CD1-CG1 4.21Å
39R88.6Confident82.3Confident130 Ų13055.8 Ų55.849%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-114.3142.4179.1-63.7-175.9-66.9165.5-3.4111C37 H62C37-R39 WeakPolarHBondContact O-CG 3.36Å; C37-R39 PolarHBondContact O-N 3.16Å; R39-H62 HydrophobicContact CB-CB 4.07Å; R39-H62 PolarHBondContact N-O 2.73Å; R39-H62 VanDerWaalsContact N-O 3.13Å; R39-H62 WeakPolarHBondContact O-CB 3.16Å; R39-H62 PolarHBondContact O-N 3.09Å
40V91Very high82.9Confident19 Ų1958.4 Ų58.412%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-112.1130.9178.8-177.90000109.7L21 V25 L43 F59 K60 L61L21-V40 HydrophobicContact CD1-CG2 3.97Å; L21-V40 HydrophobicContact CD2-CG1 4.38Å; L21-V40 HydrophobicContact CG-CG2 4.38Å; V25-V40 HydrophobicContact CG2-CG2 4.11Å; V40-L43 HydrophobicContact CG1-CD1 4.06Å; V40-F59 HydrophobicContact CG1-CB 3.7Å; V40-F59 HydrophobicContact CG1-CD2 3.65Å; V40-F59 HydrophobicContact CG1-CG 3.88Å; V40-F59 HydrophobicContact CG2-CD2 4.43Å; V40-K60 WeakPolarHBondContact CA-O 3.37Å; V40-L61 HydrophobicContact CG2-CD1 3.98Å
41T92.8Very high83.4Confident41 Ų4160.3 Ų60.325%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-136.4-179.4177.565.30000110.4L43 K60 H62T41-L43 VanDerWaalsContact C-N 3.32Å; T41-L43 PolarHBondContact O-N 3.37Å; T41-L43 VanDerWaalsContact O-N 3.16Å; T41-K60 PolarHBondContact N-O 3.06Å; T41-K60 PolarHBondContact O-N 3.37Å; T41-H62 WeakPolarHBondContact CG2-NE2 3.25Å; T41-H62 PolarHBondContact OG1-CD2 3.1Å; T41-H62 VanDerWaalsContact OG1-CD2 3.23Å; T41-H62 PolarHBondContact OG1-NE2 3.39Å
42D93Very high83.9Confident88 Ų8864.1 Ų64.147%0.47137%0.371SS..EExtended strand (participates in β ladder)trans50.942.7173.5-63-18.4000115.4K44 K60D42-K44 PolarHBondContact O-N 3.38Å; D42-K60 HydrophobicContact CB-CB 3.96Å; D42-K60 WeakPolarHBondContact OD2-CE 3.22Å
43L94.3Very high84.4Confident14 Ų1466 Ų667%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-62.1122.6176.2-74.182.4000110.9A9 R12 I13 V40 T41 C56 R58 F59A9-L43 HydrophobicContact CB-CD1 4Å; A9-L43 HydrophobicContact CB-CD2 4.06Å; A9-L43 VanDerWaalsContact O-CD2 3.3Å; A9-L43 WeakPolarHBondContact O-CD2 3.36Å; R12-L43 HydrophobicContact CB-CD2 4.16Å; I13-L43 HydrophobicContact CD1-CD2 3.58Å; I13-L43 HydrophobicContact CD1-CG 4.22Å; I13-L43 HydrophobicContact CG1-CD2 3.81Å; V40-L43 HydrophobicContact CG1-CD1 4.06Å; T41-L43 VanDerWaalsContact C-N 3.32Å; T41-L43 PolarHBondContact O-N 3.37Å; T41-L43 VanDerWaalsContact O-N 3.16Å; L43-C56 HydrophobicContact CB-CB 4.46Å; L43-R58 WeakPolarHBondContact CA-O 3.39Å; L43-F59 HydrophobicContact CG-CB 4.41Å
44K94.5Very high85.5Confident138 Ų13867.8 Ų67.860%0.641%0.408SS*.EExtended strand (participates in β ladder)trans-131.6160.6176.7-65.2178-173175.60110D42 C56 D57 R58D42-K44 PolarHBondContact O-N 3.38Å; K44-C56 WeakPolarHBondContact O-CA 3.24Å; K44-C56 WeakPolarHBondContact O-CB 3.22Å; K44-D57 PolarHBondContact O-N 2.77Å; K44-D57 VanDerWaalsContact O-N 3.17Å; K44-R58 HydrophobicContact CB-CB 4.31Å; K44-R58 PolarHBondContact N-O 3.23Å; K44-R58 PolarHBondContact O-N 3.33Å; K44-R58 VanDerWaalsContact O-N 3.13Å
45T93.9Very high87.3Confident60 Ų6067.9 Ų67.937%0.36841%0.408SS..  trans-108135.1171.1-176.50000109.6C47 C55 D57T45-C47 VanDerWaalsContact C-N 3.34Å; T45-C47 VanDerWaalsContact OG1-CB 3.3Å; T45-C47 WeakPolarHBondContact OG1-CB 3.44Å; T45-C47 PolarHBondContact OG1-N 2.91Å; T45-C55 WeakPolarHBondContact CB-O 3.42Å; T45-C55 PolarHBondContact OG1-O 3.01Å; T45-D57 WeakPolarHBondContact CA-OD1 3.35Å
46G93.1Very high89.2Confident39 Ų3965.8 Ų65.840%0.40240%0.396SS..  trans-86.1-6.8164.300000113.4D57 R58G46-D57 PolarHBondContact N-OD1 2.89Å; G46-R58 VanDerWaalsContact CA-NE 3.35Å
47C92Very high90.7Very high18 Ų1861.5 Ų61.512%0.12237%0.373CS..SBendtrans-74.9164.4178.4-61.60000111.9T45 T51 C55T45-C47 VanDerWaalsContact C-N 3.34Å; T45-C47 VanDerWaalsContact OG1-CB 3.3Å; T45-C47 WeakPolarHBondContact OG1-CB 3.44Å; T45-C47 PolarHBondContact OG1-N 2.91Å; C47-T51 HydrophobicContact CB-CG2 4.24Å; C47-T51 WeakPolarHBondContact CB-OG1 3.34Å; C47-C55 HydrophobicContact CB-CB 4.37Å
48T90.4Very high91.9Very high88 Ų8863.1 Ų63.154%0.5437%0.371SS..  trans-63.6147.6172.266.60000110.4L50 T51T48-L50 PolarHBondContact O-N 3.22Å; T48-T51 VanDerWaalsContact O-CB 3.28Å; T48-T51 WeakPolarHBondContact O-CB 3.36Å; T48-T51 PolarHBondContact O-N 3.5Å; T48-T51 PolarHBondContact O-OG1 2.95Å; T48-T51 PolarHBondContact OG1-OG1 3.32Å
49S89Confident92.5Very high126 Ų12663.2 Ų63.288%0.88137%0.371SS*.THydrogen-bonded Turntrans-62-11.6179.760.20000114.4
50L90.6Very high92.8Very high158 Ų15858.7 Ų58.783%0.82736%0.355SS*.THydrogen-bonded Turntrans-85.3-9.8176.5-63.7171.4000112.8T48 S52T48-L50 PolarHBondContact O-N 3.22Å; L50-S52 PolarHBondContact O-N 3.03Å
51T88.6Confident93Very high51 Ų5157.8 Ų57.831%0.31335%0.35SS..  trans-65.6119.8179.4-52.90000109.5C47 T48 C55C47-T51 HydrophobicContact CB-CG2 4.24Å; C47-T51 WeakPolarHBondContact CB-OG1 3.34Å; T48-T51 VanDerWaalsContact O-CB 3.28Å; T48-T51 WeakPolarHBondContact O-CB 3.36Å; T48-T51 PolarHBondContact O-N 3.5Å; T48-T51 PolarHBondContact O-OG1 2.95Å; T48-T51 PolarHBondContact OG1-OG1 3.32Å; T51-C55 HydrophobicContact CG2-CB 3.75Å
52S87.4Confident93Very high113 Ų11357.2 Ų57.279%0.7934%0.344SS*.  trans-82.7146.9-179.556.80000111.6L50L50-S52 PolarHBondContact O-N 3.03Å
53G89.7Confident93Very high58 Ų5853 Ų5360%0.59832%0.322SS*.SBendtrans77.4-169.517700000114.9C55G53-C55 PolarHBondContact O-N 3.46Å
54P91.9Very high92.8Very high59 Ų5952.8 Ų52.838%0.38332%0.321SS..  trans-65.3117179.7-20.933.8000111.6H11 I13H11-P54 WeakPolarHBondContact O-CB 3.4Å; H11-P54 WeakPolarHBondContact O-CG 3.17Å; I13-P54 WeakPolarHBondContact O-CB 3.2Å
55C93.8Very high92.7Very high19 Ų1946.3 Ų46.313%0.12829%0.293CS..  trans-139.715.9-176.158.50000113.3R12 T45 C47 T51 G53R12-C55 PolarHBondContact O-N 2.89Å; T45-C55 WeakPolarHBondContact CB-O 3.42Å; T45-C55 PolarHBondContact OG1-O 3.01Å; C47-C55 HydrophobicContact CB-CB 4.37Å; T51-C55 HydrophobicContact CG2-CB 3.75Å; G53-C55 PolarHBondContact O-N 3.46Å
56C95.9Very high92.5Very high10 Ų1043.4 Ų43.47%0.06828%0.275CS..BIsolated β-bridgetrans-70.9134.2174-63.10000110.1R12 I13 S14 L43 K44R12-C56 WeakPolarHBondContact O-CB 3.41Å; R12-C56 PolarHBondContact O-N 2.95Å; R12-C56 VanDerWaalsContact O-N 3.12Å; I13-C56 WeakPolarHBondContact CA-O 3.48Å; I13-C56 HydrophobicContact CD1-CB 3.95Å; S14-C56 PolarHBondContact N-O 2.77Å; L43-C56 HydrophobicContact CB-CB 4.46Å; K44-C56 WeakPolarHBondContact O-CA 3.24Å; K44-C56 WeakPolarHBondContact O-CB 3.22Å
57D96.7Very high92Very high1 Ų143.1 Ų43.11%0.00527%0.272CS..  trans-139.5-3.9-176.655.2-5.4000112.7L17 K44 T45 G46 F76 A78L17-D57 HydrophobicContact CD1-CB 3.75Å; K44-D57 PolarHBondContact O-N 2.77Å; K44-D57 VanDerWaalsContact O-N 3.17Å; T45-D57 WeakPolarHBondContact CA-OD1 3.35Å; G46-D57 PolarHBondContact N-OD1 2.89Å; D57-F76 HydrophobicContact CB-CB 4.17Å; D57-F76 WeakPolarHBondContact O-CB 3.17Å; D57-F76 PolarHBondContact O-N 3.16Å; D57-A78 HydrophobicContact CB-CB 3.95Å; D57-A78 PolarHBondContact OD2-N 2.79Å
58R97.7Very high91.7Very high90 Ų9046.2 Ų46.234%0.3429%0.285SS..EExtended strand (participates in β ladder)trans-122134.3178.5-56.2175.9-167.3-106-6.3109.3L43 K44 G46 I74 I75L43-R58 WeakPolarHBondContact CA-O 3.39Å; K44-R58 HydrophobicContact CB-CB 4.31Å; K44-R58 PolarHBondContact N-O 3.23Å; K44-R58 PolarHBondContact O-N 3.33Å; K44-R58 VanDerWaalsContact O-N 3.13Å; G46-R58 VanDerWaalsContact CA-NE 3.35Å; R58-I74 WeakPolarHBondContact CA-O 3.06Å; R58-I75 HydrophobicContact CG-CG1 4.5Å; R58-I75 HydrophobicContact CG-CG2 4.19Å
59F96.6Very high91.7Very high8 Ų844.7 Ų44.74%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-156162.4-178.357.9-89.8000111.3L21 V40 L43 I74 F76 L116L21-F59 HydrophobicContact CD1-CD1 4.43Å; L21-F59 HydrophobicContact CD1-CD2 4.14Å; L21-F59 HydrophobicContact CD1-CE1 3.86Å; L21-F59 HydrophobicContact CD1-CE2 3.5Å; L21-F59 VanDerWaalsContact CD1-CE2 3.5Å; L21-F59 HydrophobicContact CD1-CZ 3.36Å; V40-F59 HydrophobicContact CG1-CB 3.7Å; V40-F59 HydrophobicContact CG1-CD2 3.65Å; V40-F59 HydrophobicContact CG1-CG 3.88Å; V40-F59 HydrophobicContact CG2-CD2 4.43Å; L43-F59 HydrophobicContact CG-CB 4.41Å; F59-I74 HydrophobicContact CD2-CB 4.23Å; F59-I74 HydrophobicContact CE1-CB 4.22Å; F59-I74 HydrophobicContact CE1-CG2 4.16Å; F59-I74 HydrophobicContact CE2-CB 3.72Å; F59-I74 HydrophobicContact CE2-CD1 3.77Å; F59-I74 HydrophobicContact CE2-CG1 4.03Å; F59-I74 HydrophobicContact CE2-CG2 4.22Å; F59-I74 HydrophobicContact CZ-CB 3.68Å; F59-I74 HydrophobicContact CZ-CD1 4.1Å; F59-I74 HydrophobicContact CZ-CG1 4.37Å; F59-I74 HydrophobicContact CZ-CG2 3.69Å; F59-I74 PolarHBondContact N-O 3.05Å; F59-I74 PolarHBondContact O-N 3.2Å; F59-F76 AromaticContact CE1-CD2 3.99Å; F59-F76 HydrophobicContact CE1-CD2 3.99Å; F59-F76 HydrophobicContact CE1-CE2 4.08Å; F59-F76 HydrophobicContact CZ-CE2 4.22Å; F59-L116 HydrophobicContact CZ-CD2 4.17Å
60K96.4Very high91.9Very high35 Ų3539.3 Ų39.315%0.15224%0.237CC..EExtended strand (participates in β ladder)trans-102.3124.7173.8-175.6177.5-65.3-600109.7V40 T41 D42 K71 W72 D73V40-K60 WeakPolarHBondContact CA-O 3.37Å; T41-K60 PolarHBondContact N-O 3.06Å; T41-K60 PolarHBondContact O-N 3.37Å; D42-K60 HydrophobicContact CB-CB 3.96Å; D42-K60 WeakPolarHBondContact OD2-CE 3.22Å; K60-K71 HydrophobicContact CD-CB 4.2Å; K60-K71 HydrophobicContact CG-CB 4.42Å; K60-W72 CarbonylContact C-O 3.22Å; K60-W72 WeakPolarHBondContact CA-O 3.39Å; K60-D73 WeakPolarHBondContact CE-OD1 3.45Å; K60-D73 IonicContact NZ-OD1 2.67Å; K60-D73 PolarHBondContact NZ-OD1 3.43Å; K60-D73 IonicContact NZ-OD2 3.98Å; K60-D73 PolarHBondContact NZ-OD2 3.18Å
61L94.7Very high92.1Very high0 Ų036.9 Ų36.90%022%0.219CC..EExtended strand (participates in β ladder)trans-95.3126.3174.7-170.267.5000109.7V24 L38 V40 I63 K71 W72 I74 V120V24-L61 HydrophobicContact CG1-CD1 3.81Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CD1-CD1 4.48Å; L38-L61 HydrophobicContact CD1-CD2 4.38Å; V40-L61 HydrophobicContact CG2-CD1 3.98Å; L61-I63 HydrophobicContact CD2-CD1 3.99Å; L61-I63 HydrophobicContact CD2-CG1 3.82Å; L61-I63 HydrophobicContact CG-CD1 4.42Å; L61-I63 HydrophobicContact CG-CG1 3.89Å; L61-K71 WeakPolarHBondContact O-CA 3.46Å; L61-W72 PolarHBondContact N-O 3.08Å; L61-W72 PolarHBondContact O-N 3.18Å; L61-I74 HydrophobicContact CB-CD1 3.91Å; L61-I74 HydrophobicContact CB-CG1 4.3Å; L61-I74 HydrophobicContact CD2-CD1 3.75Å; L61-I74 HydrophobicContact CG-CD1 4.42Å; L61-V120 HydrophobicContact CD2-CG1 4.03Å; L61-V120 HydrophobicContact CD2-CG2 3.93Å
62H92.7Very high92.5Very high29 Ų2934.6 Ų34.613%0.13421%0.205CC..EExtended strand (participates in β ladder)trans-99.7112.1173.3-70.6-116.7000108.6R39 T41 T69 L70R39-H62 HydrophobicContact CB-CB 4.07Å; R39-H62 PolarHBondContact N-O 2.73Å; R39-H62 VanDerWaalsContact N-O 3.13Å; R39-H62 WeakPolarHBondContact O-CB 3.16Å; R39-H62 PolarHBondContact O-N 3.09Å; T41-H62 WeakPolarHBondContact CG2-NE2 3.25Å; T41-H62 PolarHBondContact OG1-CD2 3.1Å; T41-H62 VanDerWaalsContact OG1-CD2 3.23Å; T41-H62 PolarHBondContact OG1-NE2 3.39Å; H62-T69 HydrophobicContact CB-CG2 3.72Å; H62-L70 CarbonylContact C-O 3.47Å; H62-L70 WeakPolarHBondContact CA-O 3.41Å
63I92.2Very high93Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-109.5116.5-176.5-57.3159.7000108.2L38 L61 Y65 T69 L70 W72 V120 I124L38-I63 HydrophobicContact CD2-CB 3.9Å; L38-I63 HydrophobicContact CD2-CG1 3.63Å; L38-I63 HydrophobicContact CD2-CG2 3.96Å; L61-I63 HydrophobicContact CD2-CD1 3.99Å; L61-I63 HydrophobicContact CD2-CG1 3.82Å; L61-I63 HydrophobicContact CG-CD1 4.42Å; L61-I63 HydrophobicContact CG-CG1 3.89Å; I63-Y65 PolarHBondContact O-N 3.41Å; I63-T69 CarbonylContact O-C 3.56Å; I63-T69 WeakPolarHBondContact O-CA 3.48Å; I63-L70 HydrophobicContact CB-CB 4.19Å; I63-L70 PolarHBondContact N-O 3.17Å; I63-L70 PolarHBondContact O-N 3.23Å; I63-W72 HydrophobicContact CD1-CD2 3.51Å; I63-W72 HydrophobicContact CD1-CE3 3.29Å; I63-W72 HydrophobicContact CD1-CG 4.09Å; I63-W72 HydrophobicContact CD1-CH2 4.2Å; I63-W72 HydrophobicContact CD1-CZ2 4.4Å; I63-W72 HydrophobicContact CD1-CZ3 3.65Å; I63-V120 HydrophobicContact CD1-CG1 4.43Å; I63-I124 HydrophobicContact CD1-CD1 4.17Å; I63-I124 HydrophobicContact CD1-CG1 4.4Å; I63-I124 HydrophobicContact CG1-CD1 4.44Å; I63-I124 HydrophobicContact CG2-CD1 3.43Å; I63-I124 VanDerWaalsContact CG2-CD1 3.43Å; I63-I124 HydrophobicContact CG2-CG1 4.05Å
64P90.9Very high93.3Very high8 Ų828.6 Ų28.65%0.05215%0.151CC..EExtended strand (participates in β ladder)trans-70.1130.1170.529.1-28.1000109.4D33 N36 E68D33-P64 HydrophobicContact CB-CB 4.2Å; N36-P64 HydrophobicContact CB-CB 4.1Å; N36-P64 HydrophobicContact CB-CG 3.97Å; N36-P64 VanDerWaalsContact O-CG 3.29Å; N36-P64 WeakPolarHBondContact O-CG 3.36Å; P64-E68 WeakPolarHBondContact CA-O 3.43Å
65Y91.8Very high93.6Very high2 Ų227.4 Ų27.41%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-154.2126.8-178-178.7-93000110I63 G67 E68 L70 I124 Y127 H128 Q131 E159 I160I63-Y65 PolarHBondContact O-N 3.41Å; Y65-G67 PolarHBondContact O-N 3.43Å; Y65-E68 PolarHBondContact N-O 3.29Å; Y65-E68 PolarHBondContact O-N 3.31Å; Y65-L70 HydrophobicContact CD1-CD1 4.43Å; Y65-L70 HydrophobicContact CG-CD1 4.08Å; Y65-L70 HydrophobicContact CG-CG 4.49Å; Y65-I124 HydrophobicContact CD2-CG2 4Å; Y65-I124 HydrophobicContact CE2-CG2 4.17Å; Y65-Y127 HydrophobicContact CD1-CD1 4.04Å; Y65-Y127 AromaticContact CD1-CE1 3.71Å; Y65-Y127 HydrophobicContact CD1-CE1 3.71Å; Y65-Y127 AromaticContact CE1-CD1 3.77Å; Y65-Y127 HydrophobicContact CE1-CD1 3.77Å; Y65-Y127 AromaticContact CE1-CE1 3.62Å; Y65-Y127 HydrophobicContact CE1-CE1 3.62Å; Y65-Y127 HydrophobicContact CE2-CD1 4.31Å; Y65-Y127 HydrophobicContact CG-CD1 4.43Å; Y65-Y127 HydrophobicContact CG-CE1 4.41Å; Y65-Y127 AromaticContact CZ-CD1 3.93Å; Y65-H128 HydrophobicContact CE2-CB 4.35Å; Y65-H128 WeakPolarHBondContact OH-CA 3.47Å; Y65-H128 VanDerWaalsContact OH-CB 3.3Å; Y65-H128 WeakPolarHBondContact OH-CB 3.31Å; Y65-H128 PolarHBondContact OH-ND1 3.42Å; Y65-Q131 HydrophobicContact CE1-CG 4.27Å; Y65-E159 HydrophobicContact CE2-CG 4.06Å; Y65-I160 VanDerWaalsContact CE1-O 3.24Å; Y65-I160 WeakPolarHBondContact CE1-O 3.39Å; Y65-I160 PolarHBondContact OH-O 3Å
66A90.5Very high93.8Very high0 Ų026.9 Ų26.90%014%0.136CC..THydrogen-bonded Turntrans49.630.6179.600000114.3E68 E159 R175A66-E68 VanDerWaalsContact C-N 3.28Å; A66-E68 PolarHBondContact O-N 2.89Å; A66-E159 HydrophobicContact CB-CB 4.09Å; A66-E159 PolarHBondContact N-OE2 2.98Å; A66-R175 WeakPolarHBondContact O-CD 3.03Å
67G82.9Confident93.9Very high33 Ų3329.3 Ų29.334%0.3415%0.149SC..THydrogen-bonded Turntrans77.87.5-177.700000114.9Y65 R175Y65-G67 PolarHBondContact O-N 3.43Å; G67-R175 PolarHBondContact O-NH1 3.32Å
68E85.6Confident93.8Very high82 Ų8229.9 Ų29.938%0.38315%0.153SC..EExtended strand (participates in β ladder)trans-107.2179.6165.2-70.5-55.9151.500110.9P64 Y65 A66 R175P64-E68 WeakPolarHBondContact CA-O 3.43Å; Y65-E68 PolarHBondContact N-O 3.29Å; Y65-E68 PolarHBondContact O-N 3.31Å; A66-E68 VanDerWaalsContact C-N 3.28Å; A66-E68 PolarHBondContact O-N 2.89Å; E68-R175 VanDerWaalsContact CD-NH1 3.26Å; E68-R175 VanDerWaalsContact CG-NH1 3.29Å; E68-R175 IonicContact OE1-CZ 3.12Å; E68-R175 IonicContact OE1-NH1 2.66Å; E68-R175 PolarHBondContact OE1-NH1 3.13Å; E68-R175 IonicContact OE1-NH2 2.72Å; E68-R175 PolarHBondContact OE1-NH2 2.77Å
69T90.4Very high93.6Very high57 Ų5731.2 Ų31.235%0.3516%0.163SC..EExtended strand (participates in β ladder)trans-123.2109.6171.6-58.40000110.6H62 I63H62-T69 HydrophobicContact CB-CG2 3.72Å; I63-T69 CarbonylContact O-C 3.56Å; I63-T69 WeakPolarHBondContact O-CA 3.48Å
70L92.7Very high93.6Very high12 Ų1236.5 Ų36.56%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-69.5141.7168.9-45.3177.1000109.2H62 I63 Y65 W72 Y127H62-L70 CarbonylContact C-O 3.47Å; H62-L70 WeakPolarHBondContact CA-O 3.41Å; I63-L70 HydrophobicContact CB-CB 4.19Å; I63-L70 PolarHBondContact N-O 3.17Å; I63-L70 PolarHBondContact O-N 3.23Å; Y65-L70 HydrophobicContact CD1-CD1 4.43Å; Y65-L70 HydrophobicContact CG-CD1 4.08Å; Y65-L70 HydrophobicContact CG-CG 4.49Å; L70-W72 HydrophobicContact CD1-CZ2 3.88Å; L70-Y127 HydrophobicContact CD1-CD1 3.77Å; L70-Y127 HydrophobicContact CD1-CE1 3.66Å; L70-Y127 HydrophobicContact CD1-CE2 4.49Å; L70-Y127 HydrophobicContact CD1-CG 4.24Å; L70-Y127 HydrophobicContact CD2-CE1 3.77Å; L70-Y127 HydrophobicContact CD2-CE2 4.5Å; L70-Y127 WeakPolarHBondContact CD2-OH 3.04Å; L70-Y127 HydrophobicContact CG-CE1 4.36Å
71K94.9Very high93.5Very high107 Ų10736.1 Ų36.147%0.46519%0.185SC..EExtended strand (participates in β ladder)trans-123.799.1-179.1-64.9177.4-166.7163.40109K60 L61K60-K71 HydrophobicContact CD-CB 4.2Å; K60-K71 HydrophobicContact CG-CB 4.42Å; L61-K71 WeakPolarHBondContact O-CA 3.46Å
72W96.7Very high93.6Very high3 Ų341.1 Ų41.11%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-106.7131.6-178.6-63.4-8.6000110.3K60 L61 I63 L70 F87 I88 F89 F95 L123 I124 Y127K60-W72 CarbonylContact C-O 3.22Å; K60-W72 WeakPolarHBondContact CA-O 3.39Å; L61-W72 PolarHBondContact N-O 3.08Å; L61-W72 PolarHBondContact O-N 3.18Å; I63-W72 HydrophobicContact CD1-CD2 3.51Å; I63-W72 HydrophobicContact CD1-CE3 3.29Å; I63-W72 HydrophobicContact CD1-CG 4.09Å; I63-W72 HydrophobicContact CD1-CH2 4.2Å; I63-W72 HydrophobicContact CD1-CZ2 4.4Å; I63-W72 HydrophobicContact CD1-CZ3 3.65Å; L70-W72 HydrophobicContact CD1-CZ2 3.88Å; W72-F87 HydrophobicContact CE3-CD1 4.33Å; W72-I88 VanDerWaalsContact CA-O 3.31Å; W72-I88 WeakPolarHBondContact CA-O 3.34Å; W72-F89 AromaticContact CD2-CD1 3.71Å; W72-F89 HydrophobicContact CD2-CD1 3.71Å; W72-F89 HydrophobicContact CD2-CE1 4.13Å; W72-F89 AromaticContact CE2-CD1 3.64Å; W72-F89 HydrophobicContact CE3-CD1 4.16Å; W72-F89 HydrophobicContact CE3-CE1 4.1Å; W72-F89 HydrophobicContact CG-CD1 4Å; W72-F89 HydrophobicContact CH2-CD1 4.49Å; W72-F89 HydrophobicContact CH2-CE1 4.42Å; W72-F89 HydrophobicContact CZ2-CD1 4.05Å; W72-F89 HydrophobicContact CZ2-CE1 4.42Å; W72-F89 HydrophobicContact CZ3-CE1 4.26Å; W72-F89 AromaticContact NE1-CD1 3.84Å; W72-F95 HydrophobicContact CH2-CE1 4.36Å; W72-F95 HydrophobicContact CZ2-CE1 4.16Å; W72-L123 HydrophobicContact CH2-CB 3.8Å; W72-L123 HydrophobicContact CZ3-CB 3.55Å; W72-L123 HydrophobicContact CZ3-CD1 4.18Å; W72-L123 HydrophobicContact CZ3-CG 4.47Å; W72-I124 HydrophobicContact CH2-CG1 3.9Å; W72-I124 HydrophobicContact CZ3-CG1 4.16Å; W72-Y127 HydrophobicContact CZ2-CD2 4.21Å; W72-Y127 HydrophobicContact CZ2-CG 4.33Å
73D97.6Very high93.9Very high46 Ų4643.8 Ų43.825%0.24622%0.223CC..EExtended strand (participates in β ladder)trans-85.1128.1170.7-60.8-82000108.8K60 F87 I88K60-D73 WeakPolarHBondContact CE-OD1 3.45Å; K60-D73 IonicContact NZ-OD1 2.67Å; K60-D73 PolarHBondContact NZ-OD1 3.43Å; K60-D73 IonicContact NZ-OD2 3.98Å; K60-D73 PolarHBondContact NZ-OD2 3.18Å; D73-F87 CarbonylContact O-C 3.6Å; D73-F87 WeakPolarHBondContact O-CA 3.4Å; D73-I88 HydrophobicContact CB-CB 4.13Å; D73-I88 HydrophobicContact CB-CD1 4.46Å; D73-I88 PolarHBondContact N-O 3.12Å; D73-I88 PolarHBondContact O-N 3.22Å
74I97.6Very high94.1Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-113.2129.7178.2-54-170.1000107.9R58 F59 L61 F76 P85 D86 F87 L116 V120R58-I74 WeakPolarHBondContact CA-O 3.06Å; F59-I74 HydrophobicContact CD2-CB 4.23Å; F59-I74 HydrophobicContact CE1-CB 4.22Å; F59-I74 HydrophobicContact CE1-CG2 4.16Å; F59-I74 HydrophobicContact CE2-CB 3.72Å; F59-I74 HydrophobicContact CE2-CD1 3.77Å; F59-I74 HydrophobicContact CE2-CG1 4.03Å; F59-I74 HydrophobicContact CE2-CG2 4.22Å; F59-I74 HydrophobicContact CZ-CB 3.68Å; F59-I74 HydrophobicContact CZ-CD1 4.1Å; F59-I74 HydrophobicContact CZ-CG1 4.37Å; F59-I74 HydrophobicContact CZ-CG2 3.69Å; F59-I74 PolarHBondContact N-O 3.05Å; F59-I74 PolarHBondContact O-N 3.2Å; L61-I74 HydrophobicContact CB-CD1 3.91Å; L61-I74 HydrophobicContact CB-CG1 4.3Å; L61-I74 HydrophobicContact CD2-CD1 3.75Å; L61-I74 HydrophobicContact CG-CD1 4.42Å; I74-F76 HydrophobicContact CG2-CD2 4.12Å; I74-F76 HydrophobicContact CG2-CE2 3.79Å; I74-P85 HydrophobicContact CG2-CB 3.77Å; I74-P85 HydrophobicContact CG2-CG 4.45Å; I74-D86 WeakPolarHBondContact CA-O 3.26Å; I74-F87 HydrophobicContact CD1-CD1 4.17Å; I74-F87 HydrophobicContact CD1-CE1 3.52Å; I74-F87 HydrophobicContact CD1-CZ 4.24Å; I74-F87 HydrophobicContact CG1-CD1 3.9Å; I74-F87 HydrophobicContact CG1-CE1 3.74Å; I74-F87 HydrophobicContact CG2-CE1 4.46Å; I74-L116 HydrophobicContact CD1-CD1 4.39Å; I74-L116 HydrophobicContact CG2-CD1 4.45Å; I74-V120 HydrophobicContact CD1-CG2 4.42Å
75I98.3Very high94.5Very high34 Ų3446.3 Ų46.317%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-124.6111.7-171.7-61.8170.5000108.6R58 P85 D86 I88R58-I75 HydrophobicContact CG-CG1 4.5Å; R58-I75 HydrophobicContact CG-CG2 4.19Å; I75-P85 CarbonylContact O-C 3.53Å; I75-P85 VanDerWaalsContact O-CA 3.24Å; I75-P85 WeakPolarHBondContact O-CA 3.29Å; I75-D86 HydrophobicContact CB-CB 4.23Å; I75-D86 PolarHBondContact N-O 3.49Å; I75-D86 PolarHBondContact O-N 3.46Å; I75-I88 HydrophobicContact CD1-CD1 3.88Å; I75-I88 HydrophobicContact CD1-CG1 4.41Å
76F98.2Very high94.7Very high8 Ų851.5 Ų51.54%0.03527%0.267CS..  trans-101.6175.4163.7-72.5-87.9000110.7L17 L20 D57 F59 I74 P85 W108 L116L17-F76 HydrophobicContact CD1-CB 3.52Å; L17-F76 HydrophobicContact CD1-CG 4.01Å; L17-F76 HydrophobicContact CD2-CB 4.19Å; L17-F76 HydrophobicContact CD2-CD1 3.77Å; L17-F76 HydrophobicContact CD2-CE1 4.28Å; L17-F76 HydrophobicContact CD2-CG 4.01Å; L20-F76 HydrophobicContact CD1-CE1 4.11Å; L20-F76 HydrophobicContact CD1-CZ 4.09Å; D57-F76 HydrophobicContact CB-CB 4.17Å; D57-F76 WeakPolarHBondContact O-CB 3.17Å; D57-F76 PolarHBondContact O-N 3.16Å; F59-F76 AromaticContact CE1-CD2 3.99Å; F59-F76 HydrophobicContact CE1-CD2 3.99Å; F59-F76 HydrophobicContact CE1-CE2 4.08Å; F59-F76 HydrophobicContact CZ-CE2 4.22Å; I74-F76 HydrophobicContact CG2-CD2 4.12Å; I74-F76 HydrophobicContact CG2-CE2 3.79Å; F76-P85 HydrophobicContact CD1-CB 3.92Å; F76-P85 HydrophobicContact CD2-CB 3.99Å; F76-P85 HydrophobicContact CE1-CB 3.63Å; F76-P85 HydrophobicContact CE1-CG 3.75Å; F76-P85 HydrophobicContact CE2-CB 3.7Å; F76-P85 HydrophobicContact CE2-CG 4.13Å; F76-P85 HydrophobicContact CG-CB 4.11Å; F76-P85 HydrophobicContact CZ-CB 3.53Å; F76-P85 HydrophobicContact CZ-CG 3.54Å; F76-W108 HydrophobicContact CE1-CH2 4.28Å; F76-W108 AromaticContact CE1-CZ2 3.82Å; F76-W108 HydrophobicContact CE1-CZ2 3.82Å; F76-W108 HydrophobicContact CZ-CH2 4.24Å; F76-W108 HydrophobicContact CZ-CZ2 4.2Å; F76-L116 HydrophobicContact CE2-CD1 4.27Å; F76-L116 HydrophobicContact CE2-CD2 4.08Å; F76-L116 HydrophobicContact CZ-CD1 4.07Å; F76-L116 HydrophobicContact CZ-CD2 4.21Å
77N96.5Very high95.1Very high61 Ų6153.4 Ų53.433%0.32628%0.275SS..  trans-121.2111167.4-171.1-23.2000109.5Q79 Y80N77-Q79 PolarHBondContact O-N 2.84Å; N77-Q79 VanDerWaalsContact O-N 3.12Å; N77-Q79 PolarHBondContact OD1-N 3.14Å; N77-Q79 VanDerWaalsContact OD1-N 3.08Å; N77-Y80 CarbonylContact O-C 3.48Å; N77-Y80 PolarHBondContact O-N 3.36Å
78A95.1Very high95.7Very high12 Ų1256 Ų5610%0.09928%0.281CS..THydrogen-bonded Turntrans-63-17.7-178.500000114.4D57D57-A78 HydrophobicContact CB-CB 3.95Å; D57-A78 PolarHBondContact OD2-N 2.79Å
79Q93.9Very high96.2Very high119 Ų11953.9 Ų53.956%0.55627%0.27SS*.THydrogen-bonded Turntrans-83.7-15.3175.9-63.6-176-9.700113.1N77N77-Q79 PolarHBondContact O-N 2.84Å; N77-Q79 VanDerWaalsContact O-N 3.12Å; N77-Q79 PolarHBondContact OD1-N 3.14Å; N77-Q79 VanDerWaalsContact OD1-N 3.08Å
80Y96.4Very high96.2Very high119 Ų11953.2 Ų53.247%0.46728%0.275SS..  trans-137.864.2-177.9-58.5-80.8000109N77 E82 L83N77-Y80 CarbonylContact O-C 3.48Å; N77-Y80 PolarHBondContact O-N 3.36Å; Y80-E82 WeakPolarHBondContact CA-OE2 3.25Å; Y80-E82 PolarHBondContact O-N 2.93Å; Y80-E82 VanDerWaalsContact O-N 3.14Å; Y80-L83 HydrophobicContact CG-CD1 4.26Å; Y80-L83 PolarHBondContact O-N 3.23Å; Y80-L83 VanDerWaalsContact O-N 3.14Å
81P95.1Very high95.8Very high26 Ų2660.8 Ų60.817%0.16931%0.31CS..THydrogen-bonded Turntrans-62.6-18.2-17431.8-42.3000113.8E16 L17 L83E16-P81 HydrophobicContact CB-CB 3.73Å; E16-P81 HydrophobicContact CB-CG 4.13Å; E16-P81 HydrophobicContact CG-CG 4.44Å; E16-P81 VanDerWaalsContact OE2-CG 3.27Å; E16-P81 WeakPolarHBondContact OE2-CG 3.47Å; L17-P81 HydrophobicContact CD2-CB 4.08Å; P81-L83 VanDerWaalsContact C-N 3.28Å
82E96.8Very high95.3Very high105 Ų10556.4 Ų56.449%0.49129%0.291SS..THydrogen-bonded Turntrans-72.8-19.2177.472.2-75177.800113.5Y80 W108Y80-E82 WeakPolarHBondContact CA-OE2 3.25Å; Y80-E82 PolarHBondContact O-N 2.93Å; Y80-E82 VanDerWaalsContact O-N 3.14Å; E82-W108 VanDerWaalsContact O-CD1 3.29Å
83L97.6Very high94.8Very high86 Ų8660.3 Ų60.345%0.4533%0.325SS..SBendtrans-76.8145.9-179.8-62180000111.4Y80 P81 W108Y80-L83 HydrophobicContact CG-CD1 4.26Å; Y80-L83 PolarHBondContact O-N 3.23Å; Y80-L83 VanDerWaalsContact O-N 3.14Å; P81-L83 VanDerWaalsContact C-N 3.28Å; L83-W108 PolarHBondContact O-NE1 2.84Å
84P97.6Very high94.5Very high56 Ų5664 Ų6436%0.36434%0.341SS..PPolyproline II helixtrans-65.9157.217428.4-34.5000111.5L105 W108P84-L105 HydrophobicContact CB-CD1 3.78Å; P84-L105 HydrophobicContact CG-CD1 4.46Å; P84-W108 HydrophobicContact CB-CB 4.04Å; P84-W108 HydrophobicContact CB-CD2 3.99Å; P84-W108 HydrophobicContact CB-CG 3.74Å
85P97.9Very high94.4Very high4 Ų464.3 Ų64.33%0.02634%0.342CS..PPolyproline II helixtrans-78.1156.2176.230.4-31.9000113I74 I75 F76 F87 W108 L116 L119I74-P85 HydrophobicContact CG2-CB 3.77Å; I74-P85 HydrophobicContact CG2-CG 4.45Å; I75-P85 CarbonylContact O-C 3.53Å; I75-P85 VanDerWaalsContact O-CA 3.24Å; I75-P85 WeakPolarHBondContact O-CA 3.29Å; F76-P85 HydrophobicContact CD1-CB 3.92Å; F76-P85 HydrophobicContact CD2-CB 3.99Å; F76-P85 HydrophobicContact CE1-CB 3.63Å; F76-P85 HydrophobicContact CE1-CG 3.75Å; F76-P85 HydrophobicContact CE2-CB 3.7Å; F76-P85 HydrophobicContact CE2-CG 4.13Å; F76-P85 HydrophobicContact CG-CB 4.11Å; F76-P85 HydrophobicContact CZ-CB 3.53Å; F76-P85 HydrophobicContact CZ-CG 3.54Å; P85-F87 HydrophobicContact CB-CE2 4.33Å; P85-F87 HydrophobicContact CG-CE2 3.78Å; P85-F87 HydrophobicContact CG-CZ 4.17Å; P85-W108 HydrophobicContact CG-CH2 4.35Å; P85-L116 HydrophobicContact CG-CD1 4.18Å; P85-L119 HydrophobicContact CG-CD2 4.23Å
86D97.4Very high94.2Very high112 Ų11269.7 Ų69.760%0.59937%0.37SS*.EExtended strand (participates in β ladder)trans-94.8152.2163.6-64.4-40.1000111.1I74 I75I74-D86 WeakPolarHBondContact CA-O 3.26Å; I75-D86 HydrophobicContact CB-CB 4.23Å; I75-D86 PolarHBondContact N-O 3.49Å; I75-D86 PolarHBondContact O-N 3.46Å
87F97.3Very high94.1Very high39 Ų3970.6 Ų70.617%0.17138%0.377CS..EExtended strand (participates in β ladder)trans-122.1142.4179.3-69.2-100000112W72 D73 I74 P85 F89 L116 L119 V120 L123W72-F87 HydrophobicContact CE3-CD1 4.33Å; D73-F87 CarbonylContact O-C 3.6Å; D73-F87 WeakPolarHBondContact O-CA 3.4Å; I74-F87 HydrophobicContact CD1-CD1 4.17Å; I74-F87 HydrophobicContact CD1-CE1 3.52Å; I74-F87 HydrophobicContact CD1-CZ 4.24Å; I74-F87 HydrophobicContact CG1-CD1 3.9Å; I74-F87 HydrophobicContact CG1-CE1 3.74Å; I74-F87 HydrophobicContact CG2-CE1 4.46Å; P85-F87 HydrophobicContact CB-CE2 4.33Å; P85-F87 HydrophobicContact CG-CE2 3.78Å; P85-F87 HydrophobicContact CG-CZ 4.17Å; F87-F89 HydrophobicContact CB-CD1 4.49Å; F87-F89 HydrophobicContact CB-CE1 3.73Å; F87-F89 HydrophobicContact CB-CZ 3.75Å; F87-F89 HydrophobicContact CD1-CE1 4.43Å; F87-F89 HydrophobicContact CG-CE1 4.33Å; F87-L116 HydrophobicContact CZ-CD1 4.26Å; F87-L119 HydrophobicContact CE2-CD2 3.63Å; F87-L119 HydrophobicContact CE2-CG 4.1Å; F87-L119 HydrophobicContact CZ-CD2 3.93Å; F87-L119 HydrophobicContact CZ-CG 4.07Å; F87-V120 HydrophobicContact CE1-CG2 4.29Å; F87-L123 HydrophobicContact CD1-CD1 3.73Å; F87-L123 HydrophobicContact CD2-CD1 3.99Å; F87-L123 HydrophobicContact CE1-CD1 3.55Å; F87-L123 HydrophobicContact CE2-CD1 3.83Å; F87-L123 HydrophobicContact CG-CD1 3.95Å; F87-L123 HydrophobicContact CZ-CD1 3.61Å
88I96.9Very high93.9Very high89 Ų8972.9 Ų72.946%0.45639%0.385SS..EExtended strand (participates in β ladder)trans-124120.2167.8-54.5172.3000108.4W72 D73 I75 G90W72-I88 VanDerWaalsContact CA-O 3.31Å; W72-I88 WeakPolarHBondContact CA-O 3.34Å; D73-I88 HydrophobicContact CB-CB 4.13Å; D73-I88 HydrophobicContact CB-CD1 4.46Å; D73-I88 PolarHBondContact N-O 3.12Å; D73-I88 PolarHBondContact O-N 3.22Å; I75-I88 HydrophobicContact CD1-CD1 3.88Å; I75-I88 HydrophobicContact CD1-CG1 4.41Å; I88-G90 PolarHBondContact O-N 2.92Å; I88-G90 VanDerWaalsContact O-N 3.12Å
89F95.6Very high93.8Very high36 Ų3675.7 Ų75.716%0.15840%0.403CS..  trans-86.130.7-171-54.5-60.8000115.1W72 F87 E91 D92 F95 P97 L123W72-F89 AromaticContact CD2-CD1 3.71Å; W72-F89 HydrophobicContact CD2-CD1 3.71Å; W72-F89 HydrophobicContact CD2-CE1 4.13Å; W72-F89 AromaticContact CE2-CD1 3.64Å; W72-F89 HydrophobicContact CE3-CD1 4.16Å; W72-F89 HydrophobicContact CE3-CE1 4.1Å; W72-F89 HydrophobicContact CG-CD1 4Å; W72-F89 HydrophobicContact CH2-CD1 4.49Å; W72-F89 HydrophobicContact CH2-CE1 4.42Å; W72-F89 HydrophobicContact CZ2-CD1 4.05Å; W72-F89 HydrophobicContact CZ2-CE1 4.42Å; W72-F89 HydrophobicContact CZ3-CE1 4.26Å; W72-F89 AromaticContact NE1-CD1 3.84Å; F87-F89 HydrophobicContact CB-CD1 4.49Å; F87-F89 HydrophobicContact CB-CE1 3.73Å; F87-F89 HydrophobicContact CB-CZ 3.75Å; F87-F89 HydrophobicContact CD1-CE1 4.43Å; F87-F89 HydrophobicContact CG-CE1 4.33Å; F89-E91 PolarHBondContact O-N 3.14Å; F89-D92 PolarHBondContact O-N 2.88Å; F89-F95 HydrophobicContact CB-CD1 4.02Å; F89-F95 AromaticContact CD1-CD1 3.83Å; F89-F95 HydrophobicContact CD1-CD1 3.83Å; F89-F95 AromaticContact CD1-CE1 3.83Å; F89-F95 HydrophobicContact CD1-CE1 3.83Å; F89-F95 AromaticContact CD2-CD1 3.67Å; F89-F95 HydrophobicContact CD2-CD1 3.67Å; F89-F95 HydrophobicContact CD2-CE1 4.14Å; F89-F95 HydrophobicContact CE1-CD1 4.21Å; F89-F95 AromaticContact CE1-CE1 3.8Å; F89-F95 HydrophobicContact CE1-CE1 3.8Å; F89-F95 HydrophobicContact CE2-CD1 4.07Å; F89-F95 HydrophobicContact CE2-CE1 4.11Å; F89-F95 AromaticContact CG-CD1 3.55Å; F89-F95 HydrophobicContact CG-CD1 3.55Å; F89-F95 HydrophobicContact CG-CE1 4.02Å; F89-F95 HydrophobicContact CZ-CD1 4.33Å; F89-F95 AromaticContact CZ-CE1 3.96Å; F89-F95 HydrophobicContact CZ-CE1 3.96Å; F89-P97 HydrophobicContact CE2-CG 3.64Å; F89-P97 HydrophobicContact CZ-CG 3.68Å; F89-L123 HydrophobicContact CE1-CD1 4.45Å; F89-L123 HydrophobicContact CE1-CD2 4.23Å; F89-L123 HydrophobicContact CZ-CD2 3.96Å
90G89.8Confident93.7Very high43 Ų4374.1 Ų74.144%0.44341%0.405SS..THydrogen-bonded Turntrans57-121.1172.900000113.8I88I88-G90 PolarHBondContact O-N 2.92Å; I88-G90 VanDerWaalsContact O-N 3.12Å
91E84.7Confident93.6Very high171 Ų17174.2 Ų74.280%0.79941%0.41SS*.THydrogen-bonded Turntrans-80-19.8-174.3-64.5179.2-170.500113.4F89 A93 R164F89-E91 PolarHBondContact O-N 3.14Å; E91-A93 PolarHBondContact O-N 3.18Å; E91-A93 VanDerWaalsContact O-N 3.1Å; E91-R164 PolarHBondContact O-NH2 2.99Å
92D85.6Confident93.6Very high15 Ų1573.2 Ų73.28%0.0840%0.403CS..  trans-87.866.8-177.9-79.4-46.7000112.3F89 E94 F95 Y127 R134 R164F89-D92 PolarHBondContact O-N 2.88Å; D92-E94 PolarHBondContact O-N 2.92Å; D92-E94 VanDerWaalsContact O-N 3.09Å; D92-F95 HydrophobicContact CB-CB 4.22Å; D92-F95 WeakPolarHBondContact O-CB 3.41Å; D92-F95 PolarHBondContact O-N 2.89Å; D92-Y127 HydrophobicContact CB-CE2 4.33Å; D92-Y127 WeakPolarHBondContact OD2-CE2 3.48Å; D92-Y127 PolarHBondContact OD2-OH 2.8Å; D92-R134 IonicContact OD1-NH1 3.78Å; D92-R164 IonicContact OD1-NH2 3.93Å
93A85.4Confident93.6Very high86 Ų8671.2 Ų71.271%0.71140%0.399SS*.THydrogen-bonded Turntrans-60.2-18.7179.600000115E91E91-A93 PolarHBondContact O-N 3.18Å; E91-A93 VanDerWaalsContact O-N 3.1Å
94E90.4Very high93.6Very high124 Ų12470 Ų7058%0.57939%0.391SS*.THydrogen-bonded Turntrans-89.6-8.1179-67.4173.7179.700112.9D92 L96 Y130D92-E94 PolarHBondContact O-N 2.92Å; D92-E94 VanDerWaalsContact O-N 3.09Å; E94-L96 PolarHBondContact O-N 3.29Å; E94-Y130 HydrophobicContact CB-CE2 4.34Å
95F95.3Very high93.5Very high6 Ų669.8 Ų69.83%0.02639%0.387CS..  trans-75.8107174.1175.3-126.5000109.9W72 F89 D92 P97 Q126 Y127 Y130W72-F95 HydrophobicContact CH2-CE1 4.36Å; W72-F95 HydrophobicContact CZ2-CE1 4.16Å; F89-F95 HydrophobicContact CB-CD1 4.02Å; F89-F95 AromaticContact CD1-CD1 3.83Å; F89-F95 HydrophobicContact CD1-CD1 3.83Å; F89-F95 AromaticContact CD1-CE1 3.83Å; F89-F95 HydrophobicContact CD1-CE1 3.83Å; F89-F95 AromaticContact CD2-CD1 3.67Å; F89-F95 HydrophobicContact CD2-CD1 3.67Å; F89-F95 HydrophobicContact CD2-CE1 4.14Å; F89-F95 HydrophobicContact CE1-CD1 4.21Å; F89-F95 AromaticContact CE1-CE1 3.8Å; F89-F95 HydrophobicContact CE1-CE1 3.8Å; F89-F95 HydrophobicContact CE2-CD1 4.07Å; F89-F95 HydrophobicContact CE2-CE1 4.11Å; F89-F95 AromaticContact CG-CD1 3.55Å; F89-F95 HydrophobicContact CG-CD1 3.55Å; F89-F95 HydrophobicContact CG-CE1 4.02Å; F89-F95 HydrophobicContact CZ-CD1 4.33Å; F89-F95 AromaticContact CZ-CE1 3.96Å; F89-F95 HydrophobicContact CZ-CE1 3.96Å; D92-F95 HydrophobicContact CB-CB 4.22Å; D92-F95 WeakPolarHBondContact O-CB 3.41Å; D92-F95 PolarHBondContact O-N 2.89Å; F95-P97 HydrophobicContact CE1-CB 4.4Å; F95-P97 HydrophobicContact CE1-CG 4.25Å; F95-P97 HydrophobicContact CE2-CB 4.23Å; F95-P97 HydrophobicContact CZ-CB 3.84Å; F95-P97 HydrophobicContact CZ-CG 4.18Å; F95-Q126 HydrophobicContact CE2-CB 4.22Å; F95-Q126 HydrophobicContact CZ-CB 4.2Å; F95-Y127 HydrophobicContact CB-CD2 4.42Å; F95-Y127 AromaticContact CD1-CD2 3.79Å; F95-Y127 HydrophobicContact CD1-CD2 3.79Å; F95-Y127 HydrophobicContact CD1-CE2 4.48Å; F95-Y127 HydrophobicContact CD2-CD2 4.02Å; F95-Y127 AromaticContact CE1-CD2 4Å; F95-Y127 HydrophobicContact CE1-CD2 4Å; F95-Y127 HydrophobicContact CE2-CD2 4.23Å; F95-Y127 AromaticContact CG-CD2 3.8Å; F95-Y127 HydrophobicContact CG-CD2 3.8Å; F95-Y127 HydrophobicContact CG-CE2 4.38Å; F95-Y127 HydrophobicContact CZ-CD2 4.21Å; F95-Y130 HydrophobicContact CB-CD1 4.16Å; F95-Y130 HydrophobicContact CB-CE1 4.01Å; F95-Y130 HydrophobicContact CB-CG 4.49Å; F95-Y130 AromaticContact CD2-CD1 3.93Å; F95-Y130 HydrophobicContact CD2-CD1 3.93Å; F95-Y130 HydrophobicContact CD2-CD2 4.39Å; F95-Y130 AromaticContact CD2-CG 3.79Å; F95-Y130 HydrophobicContact CD2-CG 3.79Å; F95-Y130 HydrophobicContact CG-CD1 4.34Å
96L94.4Very high93.4Very high147 Ų14773.8 Ų73.877%0.7741%0.411SS*.  trans-117.391.6179.4-60.6176.3000108.7E94E94-L96 PolarHBondContact O-N 3.29Å
97P95.6Very high93.3Very high27 Ų2775.6 Ų75.618%0.17542%0.415CS..  trans-66.9138.4178.227.7-33.8000110.7F89 F95 P99 L102 L123 Q126F89-P97 HydrophobicContact CE2-CG 3.64Å; F89-P97 HydrophobicContact CZ-CG 3.68Å; F95-P97 HydrophobicContact CE1-CB 4.4Å; F95-P97 HydrophobicContact CE1-CG 4.25Å; F95-P97 HydrophobicContact CE2-CB 4.23Å; F95-P97 HydrophobicContact CZ-CB 3.84Å; F95-P97 HydrophobicContact CZ-CG 4.18Å; P97-P99 WeakPolarHBondContact O-CD 3.45Å; P97-L102 HydrophobicContact CB-CD1 4.38Å; P97-L123 HydrophobicContact CB-CD2 3.85Å; P97-L123 HydrophobicContact CG-CD2 3.85Å; P97-Q126 VanDerWaalsContact CA-OE1 3.25Å; P97-Q126 HydrophobicContact CB-CB 4.49Å
98E94.1Very high93.3Very high108 Ų10875.5 Ų75.551%0.50541%0.414SS..  trans-77.3117.3177.9-177.958.3-124.400109.7S100 E101 Q126E98-S100 VanDerWaalsContact CG-OG 3.25Å; E98-S100 WeakPolarHBondContact CG-OG 3.26Å; E98-S100 PolarHBondContact O-N 3.4Å; E98-E101 HydrophobicContact CB-CG 4.36Å; E98-E101 HydrophobicContact CG-CG 4.33Å; E98-E101 PolarHBondContact O-N 3.05Å; E98-E101 VanDerWaalsContact O-N 3.08Å; E98-Q126 PolarHBondContact O-NE2 3.44Å
99P91.5Very high93.3Very high72 Ų7275.2 Ų75.247%0.46841%0.413SS..G310 helixtrans-61.1-27.7-177.4-26.336.3000114.3P97 E101 L102P97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-E101 PolarHBondContact O-N 2.84Å; P99-L102 PolarHBondContact O-N 3.12Å
100S92.1Very high93.3Very high85 Ų8575.4 Ų75.459%0.59442%0.421SS*.G310 helixtrans-66.3-22.5177.765.80000113.4E98 L102E98-S100 VanDerWaalsContact CG-OG 3.25Å; E98-S100 WeakPolarHBondContact CG-OG 3.26Å; E98-S100 PolarHBondContact O-N 3.4Å; S100-L102 VanDerWaalsContact C-N 3.33Å
101E93.8Very high93.6Very high121 Ų12176.5 Ų76.557%0.56543%0.432SS*.G310 helixtrans-96.517178.6-61.8-63.7149.600111.8E98 P99 P103 Q126E98-E101 HydrophobicContact CB-CG 4.36Å; E98-E101 HydrophobicContact CG-CG 4.33Å; E98-E101 PolarHBondContact O-N 3.05Å; E98-E101 VanDerWaalsContact O-N 3.08Å; P99-E101 PolarHBondContact O-N 2.84Å; E101-P103 VanDerWaalsContact C-CD 3.49Å; E101-Q126 PolarHBondContact O-NE2 2.86Å
102L96.6Very high94.1Very high5 Ų571.2 Ų71.23%0.02641%0.41CS..  trans-122.767.6176.7-59.3178.1000111.1P97 P99 S100 H104 L105 V106 L119 E122 L123P97-L102 HydrophobicContact CB-CD1 4.38Å; P99-L102 PolarHBondContact O-N 3.12Å; S100-L102 VanDerWaalsContact C-N 3.33Å; L102-H104 PolarHBondContact O-N 2.8Å; L102-L105 HydrophobicContact CB-CB 3.83Å; L102-L105 HydrophobicContact CB-CD2 4.46Å; L102-L105 HydrophobicContact CD1-CD2 3.88Å; L102-L105 WeakPolarHBondContact O-CB 3.24Å; L102-L105 PolarHBondContact O-N 2.9Å; L102-V106 PolarHBondContact O-N 2.72Å; L102-L119 HydrophobicContact CB-CD1 4.35Å; L102-L119 HydrophobicContact CD1-CD1 4.5Å; L102-L119 HydrophobicContact CD2-CD1 4.32Å; L102-E122 WeakPolarHBondContact CA-OE2 3.45Å; L102-E122 HydrophobicContact CD2-CB 3.69Å; L102-L123 HydrophobicContact CD1-CD2 3.8Å; L102-L123 HydrophobicContact CD2-CD2 3.93Å; L102-L123 HydrophobicContact CD2-CG 4.09Å
103P96.6Very high94.6Very high64 Ų6473.3 Ų73.342%0.41642%0.424SS..Hα-helixtrans-62-28.5-176.224.2-32.6000113E101 L105 V106 H107 E122E101-P103 VanDerWaalsContact C-CD 3.49Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 2.58Å; P103-V106 PolarHBondContact O-N 3.27Å; P103-H107 WeakPolarHBondContact O-CB 3.35Å; P103-H107 PolarHBondContact O-N 3.23Å; P103-E122 VanDerWaalsContact CD-OE1 3.23Å; P103-E122 WeakPolarHBondContact CD-OE1 3.39Å; P103-E122 WeakPolarHBondContact CG-OE1 3.42Å
104H97Very high95.1Very high60 Ų6071.8 Ų71.828%0.27840%0.402SS..Hα-helixtrans-75-16.7175.3-69.286.6000113.3L102 W108 Q118 L119 E122L102-H104 PolarHBondContact O-N 2.8Å; H104-W108 WeakPolarHBondContact O-CA 3.33Å; H104-Q118 HydrophobicContact CB-CB 4.28Å; H104-Q118 VanDerWaalsContact CD2-CB 3.44Å; H104-Q118 WeakPolarHBondContact CD2-CB 3.47Å; H104-L119 HydrophobicContact CB-CB 4.23Å; H104-E122 IonicContact CE1-OE1 3.69Å; H104-E122 PolarHBondContact CE1-OE1 2.82Å; H104-E122 IonicContact CG-OE1 3.09Å; H104-E122 IonicContact CG-OE2 2.64Å; H104-E122 PolarHBondContact N-OE2 2.81Å; H104-E122 VanDerWaalsContact ND1-CD 3.31Å; H104-E122 IonicContact ND1-OE1 2.76Å; H104-E122 PolarHBondContact ND1-OE1 2.9Å; H104-E122 IonicContact ND1-OE2 3.5Å
105L96.4Very high95.4Very high52 Ų5266 Ų6627%0.27238%0.375SS..Hα-helixtrans-81.6-45.3167.8-175.861.6000111.1P84 L102 P103 L119P84-L105 HydrophobicContact CB-CD1 3.78Å; P84-L105 HydrophobicContact CG-CD1 4.46Å; L102-L105 HydrophobicContact CB-CB 3.83Å; L102-L105 HydrophobicContact CB-CD2 4.46Å; L102-L105 HydrophobicContact CD1-CD2 3.88Å; L102-L105 WeakPolarHBondContact O-CB 3.24Å; L102-L105 PolarHBondContact O-N 2.9Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 2.58Å; L105-L119 HydrophobicContact CB-CD1 3.74Å; L105-L119 HydrophobicContact CB-CD2 4.31Å; L105-L119 HydrophobicContact CD1-CD2 3.99Å
106V95.3Very high95.5Very high88 Ų8865.8 Ų65.853%0.53337%0.374SS..Hα-helixtrans-65.4-40-178.61760000111.5L102 P103L102-V106 PolarHBondContact O-N 2.72Å; P103-V106 PolarHBondContact O-N 3.27Å
107H95.1Very high95.5Very high150 Ų15058.8 Ų58.869%0.69434%0.338SS*.THydrogen-bonded Turntrans-111.151.4177.8-59.5-56.7000110.7P103 D109P103-H107 WeakPolarHBondContact O-CB 3.35Å; P103-H107 PolarHBondContact O-N 3.23Å; H107-D109 PolarHBondContact O-N 3.31Å
108W97.4Very high95.5Very high37 Ų3760.4 Ų60.414%0.1434%0.343CS..  trans-57.8125.4180-178.4-107.5000111.8L20 F76 E82 L83 P84 P85 H104 L116 L119L20-W108 HydrophobicContact CD1-CH2 4.28Å; L20-W108 HydrophobicContact CD1-CZ2 3.84Å; L20-W108 HydrophobicContact CD2-CH2 4.3Å; L20-W108 HydrophobicContact CD2-CZ2 4.36Å; F76-W108 HydrophobicContact CE1-CH2 4.28Å; F76-W108 AromaticContact CE1-CZ2 3.82Å; F76-W108 HydrophobicContact CE1-CZ2 3.82Å; F76-W108 HydrophobicContact CZ-CH2 4.24Å; F76-W108 HydrophobicContact CZ-CZ2 4.2Å; E82-W108 VanDerWaalsContact O-CD1 3.29Å; L83-W108 PolarHBondContact O-NE1 2.84Å; P84-W108 HydrophobicContact CB-CB 4.04Å; P84-W108 HydrophobicContact CB-CD2 3.99Å; P84-W108 HydrophobicContact CB-CG 3.74Å; P85-W108 HydrophobicContact CG-CH2 4.35Å; H104-W108 WeakPolarHBondContact O-CA 3.33Å; W108-L116 HydrophobicContact CH2-CB 4.06Å; W108-L119 HydrophobicContact CE3-CD2 4.35Å; W108-L119 HydrophobicContact CZ3-CD2 4.03Å
109D96.8Very high95.6Very high83 Ų8355.3 Ų55.344%0.44432%0.319SS..  trans-120.398.1174.91798.4000109.8H107 G111 N112 S115H107-D109 PolarHBondContact O-N 3.31Å; D109-G111 PolarHBondContact O-N 3.33Å; D109-G111 WeakPolarHBondContact OD1-CA 3.5Å; D109-G111 PolarHBondContact OD1-N 3.02Å; D109-N112 HydrophobicContact CB-CB 4.22Å; D109-N112 PolarHBondContact O-N 2.66Å; D109-N112 PolarHBondContact OD1-N 3.11Å; D109-N112 VanDerWaalsContact OD2-CB 3.31Å; D109-N112 WeakPolarHBondContact OD2-CB 3.33Å; D109-S115 VanDerWaalsContact O-CB 3.31Å; D109-S115 WeakPolarHBondContact O-CB 3.38Å; D109-S115 PolarHBondContact O-OG 3.2Å
110A95.3Very high95.9Very high39 Ų3951.9 Ų51.932%0.32230%0.297SS..THydrogen-bonded Turntrans-65.5-18.9176.400000113.3
111G95.5Very high95.9Very high66 Ų6651.4 Ų51.468%0.6828%0.284SS*.THydrogen-bonded Turntrans-77.6-22.117700000113.4D109 P113D109-G111 PolarHBondContact O-N 3.33Å; D109-G111 WeakPolarHBondContact OD1-CA 3.5Å; D109-G111 PolarHBondContact OD1-N 3.02Å; G111-P113 WeakPolarHBondContact O-CD 3.37Å
112N96.8Very high96Very high61 Ų6146.8 Ų46.833%0.32626%0.263SS..SBendtrans-90.3114.5176.817610000110.9L20 D109 E114 S115L20-N112 VanDerWaalsContact CD2-O 3.32Å; L20-N112 WeakPolarHBondContact CD2-O 3.47Å; D109-N112 HydrophobicContact CB-CB 4.22Å; D109-N112 PolarHBondContact O-N 2.66Å; D109-N112 PolarHBondContact OD1-N 3.11Å; D109-N112 VanDerWaalsContact OD2-CB 3.31Å; D109-N112 WeakPolarHBondContact OD2-CB 3.33Å; N112-E114 PolarHBondContact O-N 2.88Å; N112-E114 PolarHBondContact OD1-N 3.38Å; N112-S115 WeakPolarHBondContact CB-OG 3.38Å; N112-S115 WeakPolarHBondContact O-CB 3.25Å; N112-S115 PolarHBondContact O-N 3.14Å; N112-S115 VanDerWaalsContact O-N 3.11Å; N112-S115 PolarHBondContact O-OG 2.86Å; N112-S115 VanDerWaalsContact O-OG 3.1Å
113P95.6Very high96Very high58 Ų5846.7 Ų46.738%0.37726%0.262SS..THydrogen-bonded Turntrans-59.8-21.5-179.4-24.435.2000114.6P19 L20 S23 G111P19-P113 HydrophobicContact CB-CB 4.12Å; P19-P113 HydrophobicContact CB-CG 4.2Å; L20-P113 WeakPolarHBondContact CA-O 3.47Å; S23-P113 WeakPolarHBondContact CB-O 3.18Å; G111-P113 WeakPolarHBondContact O-CD 3.37Å
114E95.6Very high95.9Very high55 Ų5544.1 Ų44.126%0.25725%0.245SC..THydrogen-bonded Turntrans-85.7-11-178.8-63.8-66.5129.300113.3S23 N27 N112 L116 L117 Q118S23-E114 WeakPolarHBondContact CB-OE1 3.47Å; S23-E114 PolarHBondContact OG-OE1 3.26Å; S23-E114 PolarHBondContact OG-OE2 3.08Å; N27-E114 PolarHBondContact ND2-OE1 3.29Å; N112-E114 PolarHBondContact O-N 2.88Å; N112-E114 PolarHBondContact OD1-N 3.38Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.28Å; E114-L117 PolarHBondContact O-N 3.16Å; E114-Q118 HydrophobicContact CB-CG 4.46Å; E114-Q118 WeakPolarHBondContact O-CG 3.44Å; E114-Q118 PolarHBondContact O-N 2.92Å
115S96.7Very high95.7Very high2 Ų247.2 Ų47.21%0.01426%0.26CS..Hα-helixtrans-55.6-43.9-172.4-65.50000113.3D109 N112 Q118 L119D109-S115 VanDerWaalsContact O-CB 3.31Å; D109-S115 WeakPolarHBondContact O-CB 3.38Å; D109-S115 PolarHBondContact O-OG 3.2Å; N112-S115 WeakPolarHBondContact CB-OG 3.38Å; N112-S115 WeakPolarHBondContact O-CB 3.25Å; N112-S115 PolarHBondContact O-N 3.14Å; N112-S115 VanDerWaalsContact O-N 3.11Å; N112-S115 PolarHBondContact O-OG 2.86Å; N112-S115 VanDerWaalsContact O-OG 3.1Å; S115-Q118 PolarHBondContact O-N 3.44Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 PolarHBondContact O-N 3.02Å
116L96.9Very high95.6Very high1 Ų145.5 Ų45.51%0.00525%0.25CS..Hα-helixtrans-64-42.5176.617959.6000111.8L20 L21 V24 F59 I74 F76 P85 F87 W108 E114 L119 V120L20-L116 HydrophobicContact CB-CB 4.02Å; L20-L116 HydrophobicContact CB-CD2 4.17Å; L20-L116 HydrophobicContact CD2-CB 4.22Å; L21-L116 HydrophobicContact CD1-CD2 4.4Å; V24-L116 HydrophobicContact CG2-CB 4.15Å; V24-L116 HydrophobicContact CG2-CD2 3.65Å; V24-L116 HydrophobicContact CG2-CG 3.67Å; F59-L116 HydrophobicContact CZ-CD2 4.17Å; I74-L116 HydrophobicContact CD1-CD1 4.39Å; I74-L116 HydrophobicContact CG2-CD1 4.45Å; F76-L116 HydrophobicContact CE2-CD1 4.27Å; F76-L116 HydrophobicContact CE2-CD2 4.08Å; F76-L116 HydrophobicContact CZ-CD1 4.07Å; F76-L116 HydrophobicContact CZ-CD2 4.21Å; P85-L116 HydrophobicContact CG-CD1 4.18Å; F87-L116 HydrophobicContact CZ-CD1 4.26Å; W108-L116 HydrophobicContact CH2-CB 4.06Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.28Å; L116-L119 PolarHBondContact O-N 3.28Å; L116-V120 HydrophobicContact CD1-CG2 4.27Å; L116-V120 WeakPolarHBondContact O-CB 3.41Å; L116-V120 VanDerWaalsContact O-CG2 3.22Å; L116-V120 WeakPolarHBondContact O-CG2 3.32Å; L116-V120 PolarHBondContact O-N 2.93Å
117L95.3Very high95.6Very high1 Ų141.3 Ų41.31%0.00523%0.225CC..Hα-helixtrans-66.8-40.4-179.7177.758.3000111.4V24 N27 V30 L38 E114 V120 K121V24-L117 HydrophobicContact CG2-CB 4.12Å; N27-L117 HydrophobicContact CB-CD2 3.64Å; V30-L117 HydrophobicContact CG2-CD1 4.14Å; L38-L117 HydrophobicContact CD1-CD1 4.19Å; E114-L117 PolarHBondContact O-N 3.16Å; L117-V120 PolarHBondContact O-N 3.38Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.39Å
118Q95.6Very high95.5Very high60 Ų6036.2 Ų36.228%0.2820%0.201SC..Hα-helixtrans-63.9-45.9176-63.1-60.1-27.800111.2H104 E114 S115 V120 K121 E122H104-Q118 HydrophobicContact CB-CB 4.28Å; H104-Q118 VanDerWaalsContact CD2-CB 3.44Å; H104-Q118 WeakPolarHBondContact CD2-CB 3.47Å; E114-Q118 HydrophobicContact CB-CG 4.46Å; E114-Q118 WeakPolarHBondContact O-CG 3.44Å; E114-Q118 PolarHBondContact O-N 2.92Å; S115-Q118 PolarHBondContact O-N 3.44Å; Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 2.89Å; Q118-K121 WeakPolarHBondContact O-CB 3.4Å; Q118-K121 PolarHBondContact O-N 3.43Å; Q118-K121 VanDerWaalsContact O-N 3.07Å; Q118-E122 WeakPolarHBondContact O-CG 3.25Å; Q118-E122 PolarHBondContact O-N 3.18Å
119L96.8Very high95.3Very high1 Ų138.6 Ų38.61%0.00521%0.214CC..Hα-helixtrans-58.8-42.7175.4178.153.6000112.3P85 F87 L102 H104 L105 W108 S115 L116 K121 E122 L123P85-L119 HydrophobicContact CG-CD2 4.23Å; F87-L119 HydrophobicContact CE2-CD2 3.63Å; F87-L119 HydrophobicContact CE2-CG 4.1Å; F87-L119 HydrophobicContact CZ-CD2 3.93Å; F87-L119 HydrophobicContact CZ-CG 4.07Å; L102-L119 HydrophobicContact CB-CD1 4.35Å; L102-L119 HydrophobicContact CD1-CD1 4.5Å; L102-L119 HydrophobicContact CD2-CD1 4.32Å; H104-L119 HydrophobicContact CB-CB 4.23Å; L105-L119 HydrophobicContact CB-CD1 3.74Å; L105-L119 HydrophobicContact CB-CD2 4.31Å; L105-L119 HydrophobicContact CD1-CD2 3.99Å; W108-L119 HydrophobicContact CE3-CD2 4.35Å; W108-L119 HydrophobicContact CZ3-CD2 4.03Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 PolarHBondContact O-N 3.02Å; L116-L119 PolarHBondContact O-N 3.28Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.16Å; L119-E122 PolarHBondContact O-N 3.08Å; L119-L123 HydrophobicContact CD1-CD1 4.25Å; L119-L123 HydrophobicContact CD1-CG 4.27Å; L119-L123 HydrophobicContact CG-CD1 4.2Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.86Å
120V95.8Very high95.3Very high0 Ų035.8 Ų35.80%020%0.197CC..Hα-helixtrans-61-40.9174.9168.60000111.3L38 L61 I63 I74 F87 L116 L117 Q118 L123 I124L38-V120 HydrophobicContact CD1-CG1 4.21Å; L61-V120 HydrophobicContact CD2-CG1 4.03Å; L61-V120 HydrophobicContact CD2-CG2 3.93Å; I63-V120 HydrophobicContact CD1-CG1 4.43Å; I74-V120 HydrophobicContact CD1-CG2 4.42Å; F87-V120 HydrophobicContact CE1-CG2 4.29Å; L116-V120 HydrophobicContact CD1-CG2 4.27Å; L116-V120 WeakPolarHBondContact O-CB 3.41Å; L116-V120 VanDerWaalsContact O-CG2 3.22Å; L116-V120 WeakPolarHBondContact O-CG2 3.32Å; L116-V120 PolarHBondContact O-N 2.93Å; L117-V120 PolarHBondContact O-N 3.38Å; Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 2.89Å; V120-L123 PolarHBondContact O-N 2.84Å; V120-I124 HydrophobicContact CG1-CD1 3.63Å; V120-I124 WeakPolarHBondContact O-CD1 3.21Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 3.28Å; V120-I124 PolarHBondContact O-N 2.89Å
121K93.4Very high95.2Very high75 Ų7533.9 Ų33.933%0.32618%0.182SC..Hα-helixtrans-63.1-42.6176.1-73.3172.6178.6175.40112.2V30 L117 Q118 L119 I124 Q125V30-K121 HydrophobicContact CG1-CG 4.13Å; V30-K121 HydrophobicContact CG2-CG 4.16Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.39Å; Q118-K121 WeakPolarHBondContact O-CB 3.4Å; Q118-K121 PolarHBondContact O-N 3.43Å; Q118-K121 VanDerWaalsContact O-N 3.07Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.16Å; K121-I124 PolarHBondContact O-N 3.33Å; K121-Q125 PolarHBondContact O-N 2.91Å
122E95.8Very high95.1Very high24 Ų2431.6 Ų31.611%0.11216%0.155CC..Hα-helixtrans-63.3-45.3176.6-67.6176.9162.200111.8L102 P103 H104 Q118 L119 I124 Q125 Q126L102-E122 WeakPolarHBondContact CA-OE2 3.45Å; L102-E122 HydrophobicContact CD2-CB 3.69Å; P103-E122 VanDerWaalsContact CD-OE1 3.23Å; P103-E122 WeakPolarHBondContact CD-OE1 3.39Å; P103-E122 WeakPolarHBondContact CG-OE1 3.42Å; H104-E122 IonicContact CE1-OE1 3.69Å; H104-E122 PolarHBondContact CE1-OE1 2.82Å; H104-E122 IonicContact CG-OE1 3.09Å; H104-E122 IonicContact CG-OE2 2.64Å; H104-E122 PolarHBondContact N-OE2 2.81Å; H104-E122 VanDerWaalsContact ND1-CD 3.31Å; H104-E122 IonicContact ND1-OE1 2.76Å; H104-E122 PolarHBondContact ND1-OE1 2.9Å; H104-E122 IonicContact ND1-OE2 3.5Å; Q118-E122 WeakPolarHBondContact O-CG 3.25Å; Q118-E122 PolarHBondContact O-N 3.18Å; L119-E122 PolarHBondContact O-N 3.08Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.29Å; E122-Q125 WeakPolarHBondContact O-CB 3.5Å; E122-Q125 PolarHBondContact O-N 3.2Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; E122-Q126 PolarHBondContact O-N 2.83Å
123L96.3Very high94.9Very high3 Ų334 Ų342%0.01616%0.164CC..Hα-helixtrans-61.2-39.5176.1-74.8168.4000111.9W72 F87 F89 P97 L102 L119 V120 Q126 Y127W72-L123 HydrophobicContact CH2-CB 3.8Å; W72-L123 HydrophobicContact CZ3-CB 3.55Å; W72-L123 HydrophobicContact CZ3-CD1 4.18Å; W72-L123 HydrophobicContact CZ3-CG 4.47Å; F87-L123 HydrophobicContact CD1-CD1 3.73Å; F87-L123 HydrophobicContact CD2-CD1 3.99Å; F87-L123 HydrophobicContact CE1-CD1 3.55Å; F87-L123 HydrophobicContact CE2-CD1 3.83Å; F87-L123 HydrophobicContact CG-CD1 3.95Å; F87-L123 HydrophobicContact CZ-CD1 3.61Å; F89-L123 HydrophobicContact CE1-CD1 4.45Å; F89-L123 HydrophobicContact CE1-CD2 4.23Å; F89-L123 HydrophobicContact CZ-CD2 3.96Å; P97-L123 HydrophobicContact CB-CD2 3.85Å; P97-L123 HydrophobicContact CG-CD2 3.85Å; L102-L123 HydrophobicContact CD1-CD2 3.8Å; L102-L123 HydrophobicContact CD2-CD2 3.93Å; L102-L123 HydrophobicContact CD2-CG 4.09Å; L119-L123 HydrophobicContact CD1-CD1 4.25Å; L119-L123 HydrophobicContact CD1-CG 4.27Å; L119-L123 HydrophobicContact CG-CD1 4.2Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.86Å; V120-L123 PolarHBondContact O-N 2.84Å; L123-Q126 PolarHBondContact O-N 2.75Å; L123-Y127 WeakPolarHBondContact O-CB 3.36Å; L123-Y127 PolarHBondContact O-N 2.66Å
124I93.9Very high94.8Very high11 Ų1132.1 Ų32.16%0.05615%0.15CC..Hα-helixtrans-68.4-36.2176.4-69.6160.3000111.2V30 I63 Y65 W72 V120 K121 E122 Y127 H128V30-I124 HydrophobicContact CB-CD1 3.96Å; V30-I124 HydrophobicContact CG1-CB 4.31Å; V30-I124 HydrophobicContact CG1-CD1 3.37Å; V30-I124 HydrophobicContact CG1-CG1 4.43Å; V30-I124 HydrophobicContact CG1-CG2 4.14Å; V30-I124 HydrophobicContact CG2-CD1 4.36Å; I63-I124 HydrophobicContact CD1-CD1 4.17Å; I63-I124 HydrophobicContact CD1-CG1 4.4Å; I63-I124 HydrophobicContact CG1-CD1 4.44Å; I63-I124 HydrophobicContact CG2-CD1 3.43Å; I63-I124 VanDerWaalsContact CG2-CD1 3.43Å; I63-I124 HydrophobicContact CG2-CG1 4.05Å; Y65-I124 HydrophobicContact CD2-CG2 4Å; Y65-I124 HydrophobicContact CE2-CG2 4.17Å; W72-I124 HydrophobicContact CH2-CG1 3.9Å; W72-I124 HydrophobicContact CZ3-CG1 4.16Å; V120-I124 HydrophobicContact CG1-CD1 3.63Å; V120-I124 WeakPolarHBondContact O-CD1 3.21Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 3.28Å; V120-I124 PolarHBondContact O-N 2.89Å; K121-I124 PolarHBondContact O-N 3.33Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.29Å; I124-Y127 WeakPolarHBondContact O-CB 3.33Å; I124-Y127 PolarHBondContact O-N 3.27Å; I124-H128 PolarHBondContact O-N 3.12Å
125Q93.1Very high94.7Very high125 Ų12529.6 Ų29.658%0.58414%0.138SC*.Hα-helixtrans-62.8-44.6173.1-177.4179.2-0.500111.5K121 E122 Y127 H128 Q129K121-Q125 PolarHBondContact O-N 2.91Å; E122-Q125 WeakPolarHBondContact O-CB 3.5Å; E122-Q125 PolarHBondContact O-N 3.2Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; Q125-Y127 VanDerWaalsContact C-N 3.34Å; Q125-H128 WeakPolarHBondContact O-CB 3.38Å; Q125-H128 PolarHBondContact O-N 3.3Å; Q125-Q129 PolarHBondContact O-N 3.39Å; Q125-Q129 VanDerWaalsContact O-N 3.12Å
126Q95.5Very high94.4Very high16 Ų1637.4 Ų37.48%0.07517%0.167CC..Hα-helixtrans-65.5-38.1173.9-70.7-153.841.700112.3F95 P97 E98 E101 E122 L123 H128 Q129 Y130F95-Q126 HydrophobicContact CE2-CB 4.22Å; F95-Q126 HydrophobicContact CZ-CB 4.2Å; P97-Q126 VanDerWaalsContact CA-OE1 3.25Å; P97-Q126 HydrophobicContact CB-CB 4.49Å; E98-Q126 PolarHBondContact O-NE2 3.44Å; E101-Q126 PolarHBondContact O-NE2 2.86Å; E122-Q126 PolarHBondContact O-N 2.83Å; L123-Q126 PolarHBondContact O-N 2.75Å; Q126-H128 VanDerWaalsContact C-N 3.28Å; Q126-H128 PolarHBondContact O-N 3.03Å; Q126-Q129 WeakPolarHBondContact O-CB 3.14Å; Q126-Q129 PolarHBondContact O-N 3.29Å; Q126-Q129 VanDerWaalsContact O-N 3.14Å; Q126-Y130 PolarHBondContact O-N 2.84Å
127Y95.3Very high94Very high0 Ų043.7 Ų43.70%020%0.196CC..Hα-helixtrans-60.7-39.5174.3-173-96.2000111.4Y65 L70 W72 D92 F95 L123 I124 Q125 Y130 Q131Y65-Y127 HydrophobicContact CD1-CD1 4.04Å; Y65-Y127 AromaticContact CD1-CE1 3.71Å; Y65-Y127 HydrophobicContact CD1-CE1 3.71Å; Y65-Y127 AromaticContact CE1-CD1 3.77Å; Y65-Y127 HydrophobicContact CE1-CD1 3.77Å; Y65-Y127 AromaticContact CE1-CE1 3.62Å; Y65-Y127 HydrophobicContact CE1-CE1 3.62Å; Y65-Y127 HydrophobicContact CE2-CD1 4.31Å; Y65-Y127 HydrophobicContact CG-CD1 4.43Å; Y65-Y127 HydrophobicContact CG-CE1 4.41Å; Y65-Y127 AromaticContact CZ-CD1 3.93Å; L70-Y127 HydrophobicContact CD1-CD1 3.77Å; L70-Y127 HydrophobicContact CD1-CE1 3.66Å; L70-Y127 HydrophobicContact CD1-CE2 4.49Å; L70-Y127 HydrophobicContact CD1-CG 4.24Å; L70-Y127 HydrophobicContact CD2-CE1 3.77Å; L70-Y127 HydrophobicContact CD2-CE2 4.5Å; L70-Y127 WeakPolarHBondContact CD2-OH 3.04Å; L70-Y127 HydrophobicContact CG-CE1 4.36Å; W72-Y127 HydrophobicContact CZ2-CD2 4.21Å; W72-Y127 HydrophobicContact CZ2-CG 4.33Å; D92-Y127 HydrophobicContact CB-CE2 4.33Å; D92-Y127 WeakPolarHBondContact OD2-CE2 3.48Å; D92-Y127 PolarHBondContact OD2-OH 2.8Å; F95-Y127 HydrophobicContact CB-CD2 4.42Å; F95-Y127 AromaticContact CD1-CD2 3.79Å; F95-Y127 HydrophobicContact CD1-CD2 3.79Å; F95-Y127 HydrophobicContact CD1-CE2 4.48Å; F95-Y127 HydrophobicContact CD2-CD2 4.02Å; F95-Y127 AromaticContact CE1-CD2 4Å; F95-Y127 HydrophobicContact CE1-CD2 4Å; F95-Y127 HydrophobicContact CE2-CD2 4.23Å; F95-Y127 AromaticContact CG-CD2 3.8Å; F95-Y127 HydrophobicContact CG-CD2 3.8Å; F95-Y127 HydrophobicContact CG-CE2 4.38Å; F95-Y127 HydrophobicContact CZ-CD2 4.21Å; L123-Y127 WeakPolarHBondContact O-CB 3.36Å; L123-Y127 PolarHBondContact O-N 2.66Å; I124-Y127 WeakPolarHBondContact O-CB 3.33Å; I124-Y127 PolarHBondContact O-N 3.27Å; Q125-Y127 VanDerWaalsContact C-N 3.34Å; Y127-Y130 HydrophobicContact CD2-CD1 4.1Å; Y127-Y130 HydrophobicContact CE2-CD1 4.08Å; Y127-Y130 HydrophobicContact CE2-CE1 4.17Å; Y127-Y130 WeakPolarHBondContact O-CB 3.45Å; Y127-Y130 PolarHBondContact O-N 3.45Å; Y127-Q131 HydrophobicContact CD1-CG 4.04Å; Y127-Q131 HydrophobicContact CE1-CG 3.71Å; Y127-Q131 WeakPolarHBondContact O-CG 3.39Å; Y127-Q131 PolarHBondContact O-N 2.99Å; Y127-Q131 PolarHBondContact OH-NE2 3.01Å
128H93Very high93.8Very high43 Ų4344 Ų4420%0.19920%0.199CC..Hα-helixtrans-61.7-43.4172.8179.375.6000112.6Y65 I124 Q125 Q126 Y130 Q131 C132 L158Y65-H128 HydrophobicContact CE2-CB 4.35Å; Y65-H128 WeakPolarHBondContact OH-CA 3.47Å; Y65-H128 VanDerWaalsContact OH-CB 3.3Å; Y65-H128 WeakPolarHBondContact OH-CB 3.31Å; Y65-H128 PolarHBondContact OH-ND1 3.42Å; I124-H128 PolarHBondContact O-N 3.12Å; Q125-H128 WeakPolarHBondContact O-CB 3.38Å; Q125-H128 PolarHBondContact O-N 3.3Å; Q126-H128 VanDerWaalsContact C-N 3.28Å; Q126-H128 PolarHBondContact O-N 3.03Å; H128-Y130 VanDerWaalsContact C-N 3.33Å; H128-Y130 PolarHBondContact O-N 2.99Å; H128-Q131 PolarHBondContact O-N 2.91Å; H128-C132 PolarHBondContact O-N 2.83Å; H128-C132 PolarHBondContact O-SG 3.35Å; H128-L158 PolarHBondContact CE1-O 2.98Å
129Q93.3Very high93.6Very high87 Ų8746 Ų4641%0.40722%0.22SC..Hα-helixtrans-61.9-41.6174.9-66173.82.400111.9Q125 Q126 Q131 C132 Q133Q125-Q129 PolarHBondContact O-N 3.39Å; Q125-Q129 VanDerWaalsContact O-N 3.12Å; Q126-Q129 WeakPolarHBondContact O-CB 3.14Å; Q126-Q129 PolarHBondContact O-N 3.29Å; Q126-Q129 VanDerWaalsContact O-N 3.14Å; Q129-Q131 PolarHBondContact O-N 3.49Å; Q129-C132 WeakPolarHBondContact O-CB 3.46Å; Q129-C132 PolarHBondContact O-N 3.44Å; Q129-Q133 WeakPolarHBondContact O-CG 3.3Å; Q129-Q133 PolarHBondContact O-N 2.95Å
130Y95.1Very high93.5Very high23 Ų2348.5 Ų48.59%0.0923%0.229CC..Hα-helixtrans-59-44.4173.7162-106.2000111.8E94 F95 Q126 Y127 H128 C132 Q133 R134E94-Y130 HydrophobicContact CB-CE2 4.34Å; F95-Y130 HydrophobicContact CB-CD1 4.16Å; F95-Y130 HydrophobicContact CB-CE1 4.01Å; F95-Y130 HydrophobicContact CB-CG 4.49Å; F95-Y130 AromaticContact CD2-CD1 3.93Å; F95-Y130 HydrophobicContact CD2-CD1 3.93Å; F95-Y130 HydrophobicContact CD2-CD2 4.39Å; F95-Y130 AromaticContact CD2-CG 3.79Å; F95-Y130 HydrophobicContact CD2-CG 3.79Å; F95-Y130 HydrophobicContact CG-CD1 4.34Å; Q126-Y130 PolarHBondContact O-N 2.84Å; Y127-Y130 HydrophobicContact CD2-CD1 4.1Å; Y127-Y130 HydrophobicContact CE2-CD1 4.08Å; Y127-Y130 HydrophobicContact CE2-CE1 4.17Å; Y127-Y130 WeakPolarHBondContact O-CB 3.45Å; Y127-Y130 PolarHBondContact O-N 3.45Å; H128-Y130 VanDerWaalsContact C-N 3.33Å; H128-Y130 PolarHBondContact O-N 2.99Å; Y130-C132 VanDerWaalsContact C-N 3.34Å; Y130-C132 PolarHBondContact O-N 3.17Å; Y130-Q133 PolarHBondContact O-N 3.47Å; Y130-R134 HydrophobicContact CD2-CG 4.48Å; Y130-R134 HydrophobicContact CE2-CG 4.11Å; Y130-R134 PolarHBondContact O-N 2.93Å; Y130-R134 WeakPolarHBondContact OH-CD 3.18Å; Y130-R134 PolarHBondContact OH-NH1 2.97Å
131Q94.6Very high93.4Very high0 Ų048.5 Ų48.50%023%0.229CC..Hα-helixtrans-64-38.2175.2-68.2-65.4-9.600112.4Y65 Y127 H128 Q129 Q133 R134 L135 I160 A162Y65-Q131 HydrophobicContact CE1-CG 4.27Å; Y127-Q131 HydrophobicContact CD1-CG 4.04Å; Y127-Q131 HydrophobicContact CE1-CG 3.71Å; Y127-Q131 WeakPolarHBondContact O-CG 3.39Å; Y127-Q131 PolarHBondContact O-N 2.99Å; Y127-Q131 PolarHBondContact OH-NE2 3.01Å; H128-Q131 PolarHBondContact O-N 2.91Å; Q129-Q131 PolarHBondContact O-N 3.49Å; Q131-Q133 PolarHBondContact O-N 2.82Å; Q131-R134 PolarHBondContact O-N 2.88Å; Q131-L135 PolarHBondContact O-N 3.3Å; Q131-I160 HydrophobicContact CB-CG1 4.18Å; Q131-I160 WeakPolarHBondContact CB-O 3.41Å; Q131-A162 PolarHBondContact OE1-O 3.39Å
132C92.9Very high93.4Very high18 Ų1847 Ų4712%0.12222%0.224CC..Hα-helixtrans-62.4-40.8172.8-62.60000112.3H128 Q129 Y130 R134 L135 Y145 I160H128-C132 PolarHBondContact O-N 2.83Å; H128-C132 PolarHBondContact O-SG 3.35Å; Q129-C132 WeakPolarHBondContact O-CB 3.46Å; Q129-C132 PolarHBondContact O-N 3.44Å; Y130-C132 VanDerWaalsContact C-N 3.34Å; Y130-C132 PolarHBondContact O-N 3.17Å; C132-R134 VanDerWaalsContact C-N 3.35Å; C132-L135 PolarHBondContact O-N 3.41Å; C132-Y145 PolarHBondContact SG-OH 2.98Å; C132-Y145 VanDerWaalsContact SG-OH 3.36Å; C132-I160 HydrophobicContact CB-CD1 4.15Å; C132-I160 VanDerWaalsContact SG-CD1 3.59Å
133Q93.1Very high93.4Very high112 Ų11251 Ų5152%0.52324%0.242SC..Hα-helixtrans-64.1-42.1176.8-70.817318.200111.4Q129 Y130 Q131 R136Q129-Q133 WeakPolarHBondContact O-CG 3.3Å; Q129-Q133 PolarHBondContact O-N 2.95Å; Y130-Q133 PolarHBondContact O-N 3.47Å; Q131-Q133 PolarHBondContact O-N 2.82Å; Q133-R136 VanDerWaalsContact O-CB 3.3Å; Q133-R136 WeakPolarHBondContact O-CB 3.42Å; Q133-R136 PolarHBondContact O-N 2.95Å
134R92.6Very high93.3Very high18 Ų1850.9 Ų50.97%0.06824%0.241CC..Hα-helixtrans-66.3-35.5176.6-73-17859.2-155-7.6113.1D92 Y130 Q131 C132 R136 E137 A162 G163 R164D92-R134 IonicContact OD1-NH1 3.78Å; Y130-R134 HydrophobicContact CD2-CG 4.48Å; Y130-R134 HydrophobicContact CE2-CG 4.11Å; Y130-R134 PolarHBondContact O-N 2.93Å; Y130-R134 WeakPolarHBondContact OH-CD 3.18Å; Y130-R134 PolarHBondContact OH-NH1 2.97Å; Q131-R134 PolarHBondContact O-N 2.88Å; C132-R134 VanDerWaalsContact C-N 3.35Å; R134-R136 PolarHBondContact O-N 3.2Å; R134-R136 VanDerWaalsContact O-N 3.16Å; R134-E137 WeakPolarHBondContact O-CB 3.23Å; R134-E137 WeakPolarHBondContact O-CG 3.44Å; R134-E137 PolarHBondContact O-N 2.64Å; R134-E137 VanDerWaalsContact O-N 3.14Å; R134-A162 HydrophobicContact CB-CB 3.79Å; R134-A162 PolarHBondContact NH1-O 2.96Å; R134-A162 PolarHBondContact NH2-O 2.9Å; R134-G163 PolarHBondContact NH2-O 3.45Å; R134-R164 VanDerWaalsContact NH2-N 3.16Å
135L93.4Very high93.3Very high1 Ų151.9 Ų51.91%0.00524%0.244CC..Hα-helixtrans-57.9-29.1175.7-166.672.2000112.6Q131 C132 E137 S138 L141 Y145 I160 F172 A174 F176Q131-L135 PolarHBondContact O-N 3.3Å; C132-L135 PolarHBondContact O-N 3.41Å; L135-E137 PolarHBondContact O-N 3.34Å; L135-E137 VanDerWaalsContact O-N 3.07Å; L135-S138 PolarHBondContact O-N 3.21Å; L135-L141 HydrophobicContact CD1-CB 3.83Å; L135-L141 HydrophobicContact CG-CB 4.41Å; L135-Y145 HydrophobicContact CD2-CD2 4.28Å; L135-Y145 HydrophobicContact CD2-CG 3.9Å; L135-I160 HydrophobicContact CB-CD1 4.12Å; L135-I160 HydrophobicContact CD2-CD1 3.81Å; L135-I160 HydrophobicContact CG-CD1 4.47Å; L135-F172 HydrophobicContact CD1-CE1 4.31Å; L135-F172 HydrophobicContact CD1-CZ 4.49Å; L135-A174 HydrophobicContact CD1-CB 3.99Å; L135-F176 HydrophobicContact CD1-CZ 4.26Å; L135-F176 HydrophobicContact CD2-CE1 4.45Å; L135-F176 HydrophobicContact CD2-CZ 4.02Å
136R91.5Very high93.4Very high166 Ų16649.8 Ų49.863%0.62624%0.237SC*.THydrogen-bonded Turntrans-62.5-14.9179.3-62.5176.1178.7160.8-0.7114Q133 R134 S138 L142Q133-R136 VanDerWaalsContact O-CB 3.3Å; Q133-R136 WeakPolarHBondContact O-CB 3.42Å; Q133-R136 PolarHBondContact O-N 2.95Å; R134-R136 PolarHBondContact O-N 3.2Å; R134-R136 VanDerWaalsContact O-N 3.16Å; R136-S138 PolarHBondContact O-N 3.5Å; R136-L142 HydrophobicContact CG-CD1 4.13Å; R136-L142 HydrophobicContact CG-CD2 4.24Å
137E88.2Confident93.3Very high133 Ų13349.6 Ų49.662%0.62124%0.237SC*.THydrogen-bonded Turntrans-64.3-22.8171.3-67.3-177.1-158.200112.7R134 L135R134-E137 WeakPolarHBondContact O-CB 3.23Å; R134-E137 WeakPolarHBondContact O-CG 3.44Å; R134-E137 PolarHBondContact O-N 2.64Å; R134-E137 VanDerWaalsContact O-N 3.14Å; L135-E137 PolarHBondContact O-N 3.34Å; L135-E137 VanDerWaalsContact O-N 3.07Å
138S90.9Very high93.2Very high9 Ų949.6 Ų49.66%0.06324%0.237CC..  trans-113.2110.1174.4175.60000110.9L135 R136 R140 L141 L142L135-S138 PolarHBondContact O-N 3.21Å; R136-S138 PolarHBondContact O-N 3.5Å; S138-R140 VanDerWaalsContact C-N 3.27Å; S138-R140 PolarHBondContact O-N 2.86Å; S138-L141 PolarHBondContact O-N 2.84Å; S138-L141 WeakPolarHBondContact OG-CG 3.41Å; S138-L141 PolarHBondContact OG-N 2.81Å; S138-L142 WeakPolarHBondContact O-CB 3.25Å; S138-L142 PolarHBondContact O-N 2.78Å
139S92.1Very high93.2Very high102 Ų10250.5 Ų50.571%0.71324%0.243SC*.Hα-helixtrans-60.9-37.2174.758.90000112.5F143S139-F143 WeakPolarHBondContact O-CB 2.84Å; S139-F143 PolarHBondContact O-N 2.8Å
140R93.3Very high93Very high53 Ų5354 Ų5420%0.226%0.26CS..Hα-helixtrans-65.3-43.1-180174.366.5-16993.7-2.1112.5S138 E144 A213 A215 G247S138-R140 VanDerWaalsContact C-N 3.27Å; S138-R140 PolarHBondContact O-N 2.86Å; R140-E144 IonicContact CZ-OE1 3.09Å; R140-E144 VanDerWaalsContact NH1-CD 3.3Å; R140-E144 VanDerWaalsContact NH1-CG 3.32Å; R140-E144 IonicContact NH1-OE1 2.63Å; R140-E144 PolarHBondContact NH1-OE1 3.06Å; R140-E144 IonicContact NH2-OE1 2.68Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 PolarHBondContact O-N 3.41Å; R140-A213 VanDerWaalsContact CB-O 3.29Å; R140-A213 WeakPolarHBondContact CB-O 3.32Å; R140-A213 VanDerWaalsContact CG-O 3.3Å; R140-A213 WeakPolarHBondContact CG-O 3.39Å; R140-A215 HydrophobicContact CG-CB 4.42Å; R140-G247 PolarHBondContact NH2-O 2.96Å
141L93.8Very high92.7Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-82.8-29.8-179.5-61171.3000111.7L135 S138 F143 E144 Y145 F172 A174 F210L135-L141 HydrophobicContact CD1-CB 3.83Å; L135-L141 HydrophobicContact CG-CB 4.41Å; S138-L141 PolarHBondContact O-N 2.84Å; S138-L141 WeakPolarHBondContact OG-CG 3.41Å; S138-L141 PolarHBondContact OG-N 2.81Å; L141-F143 VanDerWaalsContact C-N 3.3Å; L141-E144 WeakPolarHBondContact O-CB 3.39Å; L141-E144 PolarHBondContact O-N 3.44Å; L141-Y145 PolarHBondContact O-N 3Å; L141-Y145 VanDerWaalsContact O-N 3.09Å; L141-F172 HydrophobicContact CD1-CD1 3.67Å; L141-F172 HydrophobicContact CD1-CE1 3.59Å; L141-A174 HydrophobicContact CD1-CB 3.72Å; L141-F210 HydrophobicContact CD2-CB 3.99Å; L141-F210 HydrophobicContact CD2-CD1 3.65Å; L141-F210 HydrophobicContact CD2-CD2 4.02Å; L141-F210 HydrophobicContact CD2-CE1 4.11Å; L141-F210 HydrophobicContact CD2-CE2 4.44Å; L141-F210 HydrophobicContact CD2-CG 3.61Å; L141-F210 HydrophobicContact CD2-CZ 4.47Å
142L94.3Very high92.2Very high43 Ų4361.6 Ų61.623%0.22531%0.308CS..Hα-helixtrans-60.8-41.9168.1-177.964000110.9R136 S138 E144 Y145 D146R136-L142 HydrophobicContact CG-CD1 4.13Å; R136-L142 HydrophobicContact CG-CD2 4.24Å; S138-L142 WeakPolarHBondContact O-CB 3.25Å; S138-L142 PolarHBondContact O-N 2.78Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.96Å; L142-Y145 WeakPolarHBondContact O-CB 3.36Å; L142-Y145 PolarHBondContact O-N 2.85Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; L142-D146 PolarHBondContact O-N 3.49Å
143F94.6Very high91.7Very high109 Ų10962.6 Ų62.648%0.47832%0.315SS..Hα-helixtrans-57-42172.9168.3-93.4000112.3S139 L141 Y145 S147 C248S139-F143 WeakPolarHBondContact O-CB 2.84Å; S139-F143 PolarHBondContact O-N 2.8Å; L141-F143 VanDerWaalsContact C-N 3.3Å; F143-Y145 VanDerWaalsContact C-N 3.35Å; F143-Y145 PolarHBondContact O-N 2.99Å; F143-S147 WeakPolarHBondContact CE2-OG 3.34Å; F143-S147 WeakPolarHBondContact CZ-OG 3.25Å; F143-S147 VanDerWaalsContact O-CB 3.22Å; F143-S147 WeakPolarHBondContact O-CB 3.42Å; F143-S147 PolarHBondContact O-N 2.87Å; F143-S147 PolarHBondContact O-OG 2.76Å; F143-C248 HydrophobicContact CE1-CB 4.29Å
144E94.7Very high91.1Very high0 Ų057.7 Ų57.70%029%0.292CS..Hα-helixtrans-61.2-44175.9-68.2-6116500112.3R140 L141 L142 L148 F176 C248 L249R140-E144 IonicContact CZ-OE1 3.09Å; R140-E144 VanDerWaalsContact NH1-CD 3.3Å; R140-E144 VanDerWaalsContact NH1-CG 3.32Å; R140-E144 IonicContact NH1-OE1 2.63Å; R140-E144 PolarHBondContact NH1-OE1 3.06Å; R140-E144 IonicContact NH2-OE1 2.68Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 PolarHBondContact O-N 3.41Å; L141-E144 WeakPolarHBondContact O-CB 3.39Å; L141-E144 PolarHBondContact O-N 3.44Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.96Å; E144-L148 WeakPolarHBondContact O-CG 3.35Å; E144-L148 PolarHBondContact O-N 2.92Å; E144-F176 HydrophobicContact CB-CE1 4.38Å; E144-F176 HydrophobicContact CB-CZ 4.16Å; E144-C248 WeakPolarHBondContact OE1-CA 3.38Å; E144-C248 WeakPolarHBondContact OE1-CB 3.48Å; E144-L249 HydrophobicContact CB-CD1 4Å; E144-L249 HydrophobicContact CB-CG 4.4Å; E144-L249 HydrophobicContact CG-CD1 4.47Å; E144-L249 HydrophobicContact CG-CG 4.46Å; E144-L249 VanDerWaalsContact OE2-CB 3.24Å; E144-L249 WeakPolarHBondContact OE2-CB 3.43Å; E144-L249 WeakPolarHBondContact OE2-CG 3.24Å; E144-L249 PolarHBondContact OE2-N 3.44Å
145Y94.5Very high90.3Very high31 Ų3158.3 Ų58.312%0.12230%0.304CS..Hα-helixtrans-63.9-53.2178.2179.1-101000112C132 L135 L141 L142 F143 S147 L148 L149 L158 I160 F176C132-Y145 PolarHBondContact SG-OH 2.98Å; C132-Y145 VanDerWaalsContact SG-OH 3.36Å; L135-Y145 HydrophobicContact CD2-CD2 4.28Å; L135-Y145 HydrophobicContact CD2-CG 3.9Å; L141-Y145 PolarHBondContact O-N 3Å; L141-Y145 VanDerWaalsContact O-N 3.09Å; L142-Y145 WeakPolarHBondContact O-CB 3.36Å; L142-Y145 PolarHBondContact O-N 2.85Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; F143-Y145 VanDerWaalsContact C-N 3.35Å; F143-Y145 PolarHBondContact O-N 2.99Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 2.94Å; Y145-L148 PolarHBondContact O-N 3.05Å; Y145-L149 HydrophobicContact CD1-CD1 3.92Å; Y145-L149 HydrophobicContact CD1-CG 4.45Å; Y145-L149 HydrophobicContact CE1-CD1 3.27Å; Y145-L149 HydrophobicContact CE1-CG 4.12Å; Y145-L149 HydrophobicContact CE2-CD1 4.31Å; Y145-L149 HydrophobicContact CE2-CG 4.48Å; Y145-L149 WeakPolarHBondContact O-CG 3.44Å; Y145-L149 PolarHBondContact O-N 2.91Å; Y145-L149 VanDerWaalsContact O-N 3.08Å; Y145-L158 HydrophobicContact CD2-CD2 3.65Å; Y145-L158 HydrophobicContact CE2-CD2 3.66Å; Y145-L158 HydrophobicContact CE2-CG 4.34Å; Y145-I160 HydrophobicContact CD2-CD1 4.17Å; Y145-I160 HydrophobicContact CD2-CG2 3.84Å; Y145-I160 HydrophobicContact CE2-CD1 4.1Å; Y145-I160 HydrophobicContact CE2-CG2 4.11Å; Y145-F176 HydrophobicContact CD2-CE1 4.25Å
146D94.5Very high89.6Confident82 Ų8269.6 Ų69.644%0.43935%0.347SS..Hα-helixtrans-62.9-40.6-177.3-71.4-19.6000111.1L142 L148 L149 E150L142-D146 PolarHBondContact O-N 3.49Å; D146-L148 VanDerWaalsContact C-N 3.34Å; D146-L148 PolarHBondContact O-N 2.84Å; D146-L149 PolarHBondContact O-N 2.75Å; D146-E150 PolarHBondContact O-N 3Å
147S93.9Very high89.5Confident12 Ų1264.1 Ų64.18%0.08433%0.33CS..Hα-helixtrans-63.1-38.8177.3-57.10000112.3F143 Y145 L149 E150 I250F143-S147 WeakPolarHBondContact CE2-OG 3.34Å; F143-S147 WeakPolarHBondContact CZ-OG 3.25Å; F143-S147 VanDerWaalsContact O-CB 3.22Å; F143-S147 WeakPolarHBondContact O-CB 3.42Å; F143-S147 PolarHBondContact O-N 2.87Å; F143-S147 PolarHBondContact O-OG 2.76Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 2.94Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-E150 WeakPolarHBondContact O-CB 3.47Å; S147-E150 PolarHBondContact O-N 3.44Å; S147-I250 WeakPolarHBondContact O-CD1 3.36Å
148L93.4Very high89.7Confident0 Ų058.1 Ų58.10%030%0.302CS..Hα-helixtrans-67.9-34.3175.5-77.5170.1000112.5E144 Y145 D146 E150 D151 Y154 L158 F176 L178 L249 I250 V253E144-L148 WeakPolarHBondContact O-CG 3.35Å; E144-L148 PolarHBondContact O-N 2.92Å; Y145-L148 PolarHBondContact O-N 3.05Å; D146-L148 VanDerWaalsContact C-N 3.34Å; D146-L148 PolarHBondContact O-N 2.84Å; L148-E150 PolarHBondContact O-N 2.87Å; L148-D151 PolarHBondContact O-N 3.37Å; L148-Y154 HydrophobicContact CD2-CD2 4.25Å; L148-L158 HydrophobicContact CB-CD2 4.41Å; L148-L158 HydrophobicContact CD1-CD2 4.47Å; L148-F176 HydrophobicContact CD1-CD1 4.29Å; L148-L178 HydrophobicContact CD1-CD2 3.96Å; L148-L178 HydrophobicContact CD2-CD2 4.08Å; L148-L249 HydrophobicContact CD1-CB 3.79Å; L148-L249 HydrophobicContact CD1-CD1 3.57Å; L148-L249 HydrophobicContact CD1-CG 4.32Å; L148-L249 HydrophobicContact CD2-CB 4.08Å; L148-L249 HydrophobicContact CG-CB 4Å; L148-I250 HydrophobicContact CD2-CD1 4.48Å; L148-V253 HydrophobicContact CD2-CG2 4.17Å
149L91.6Very high89.8Confident61 Ų6158.3 Ų58.332%0.31930%0.302SS..Hα-helixtrans-71.5-15.4178.3-71.4-172.2000113.8Y145 D146 S147 D151 L158Y145-L149 HydrophobicContact CD1-CD1 3.92Å; Y145-L149 HydrophobicContact CD1-CG 4.45Å; Y145-L149 HydrophobicContact CE1-CD1 3.27Å; Y145-L149 HydrophobicContact CE1-CG 4.12Å; Y145-L149 HydrophobicContact CE2-CD1 4.31Å; Y145-L149 HydrophobicContact CE2-CG 4.48Å; Y145-L149 WeakPolarHBondContact O-CG 3.44Å; Y145-L149 PolarHBondContact O-N 2.91Å; Y145-L149 VanDerWaalsContact O-N 3.08Å; D146-L149 PolarHBondContact O-N 2.75Å; S147-L149 VanDerWaalsContact C-N 3.34Å; L149-D151 PolarHBondContact O-N 2.76Å; L149-L158 HydrophobicContact CD2-CD2 4.22Å
150E90.3Very high89.9Confident162 Ų16253.4 Ų53.476%0.75727%0.268SS*.THydrogen-bonded Turntrans-61.2-28.4172.3-63.9-170169.300112D146 S147 L148 P152D146-E150 PolarHBondContact O-N 3Å; S147-E150 WeakPolarHBondContact O-CB 3.47Å; S147-E150 PolarHBondContact O-N 3.44Å; L148-E150 PolarHBondContact O-N 2.87Å; E150-P152 WeakPolarHBondContact O-CD 3.46Å
151D87.6Confident89.9Confident64 Ų6453.8 Ų53.834%0.34227%0.269SS..SBendtrans-92.7113.4171-174.7-25.4000110.3L148 L149 S153 Y154L148-D151 PolarHBondContact O-N 3.37Å; L149-D151 PolarHBondContact O-N 2.76Å; D151-S153 PolarHBondContact O-N 3.14Å; D151-S153 WeakPolarHBondContact OD1-CB 3.49Å; D151-S153 PolarHBondContact OD1-N 3.37Å; D151-S153 PolarHBondContact OD1-OG 2.89Å; D151-S153 PolarHBondContact OD2-OG 3.29Å; D151-Y154 HydrophobicContact CB-CD2 3.75Å; D151-Y154 HydrophobicContact CB-CE2 3.97Å; D151-Y154 PolarHBondContact O-N 3.16Å; D151-Y154 VanDerWaalsContact O-N 3.11Å
152P84.9Confident89.9Confident117 Ų11753.8 Ų53.876%0.7627%0.269SS*.Hα-helixtrans-59.4-20.3-179-23.534.1000114.3E150 Y154 G155E150-P152 WeakPolarHBondContact O-CD 3.46Å; P152-Y154 PolarHBondContact O-N 2.87Å; P152-G155 PolarHBondContact O-N 3.09Å
153S81.6Confident89.6Confident39 Ų3951.9 Ų51.927%0.27326%0.261SS..Hα-helixtrans-66.4-26178.971.50000112.9D151 N157D151-S153 PolarHBondContact O-N 3.14Å; D151-S153 WeakPolarHBondContact OD1-CB 3.49Å; D151-S153 PolarHBondContact OD1-N 3.37Å; D151-S153 PolarHBondContact OD1-OG 2.89Å; D151-S153 PolarHBondContact OD2-OG 3.29Å; S153-N157 PolarHBondContact O-ND2 2.67Å
154Y82Confident89Confident9 Ų952.5 Ų52.54%0.03526%0.26CS..Hα-helixtrans-93.4-20.6177.8-57.5-58.7000113.4L148 D151 P152 R156 N157 L158 L178 P181 V253L148-Y154 HydrophobicContact CD2-CD2 4.25Å; D151-Y154 HydrophobicContact CB-CD2 3.75Å; D151-Y154 HydrophobicContact CB-CE2 3.97Å; D151-Y154 PolarHBondContact O-N 3.16Å; D151-Y154 VanDerWaalsContact O-N 3.11Å; P152-Y154 PolarHBondContact O-N 2.87Å; Y154-R156 PolarHBondContact O-N 3.37Å; Y154-N157 CarbonylContact O-C 3.54Å; Y154-N157 WeakPolarHBondContact O-CA 3.48Å; Y154-N157 PolarHBondContact O-N 3.07Å; Y154-L158 VanDerWaalsContact O-CB 3.25Å; Y154-L158 WeakPolarHBondContact O-CB 3.14Å; Y154-L158 PolarHBondContact O-N 3.29Å; Y154-L158 VanDerWaalsContact O-N 3.08Å; Y154-L178 HydrophobicContact CD1-CD2 4.05Å; Y154-L178 HydrophobicContact CG-CD2 4.4Å; Y154-P181 HydrophobicContact CE1-CG 3.93Å; Y154-V253 HydrophobicContact CE1-CG1 3.73Å; Y154-V253 WeakPolarHBondContact OH-CG1 3.47Å
155G75Confident88.3Confident31 Ų3158.4 Ų58.432%0.3229%0.285SS..Hα-helixtrans-53.8-50.3-170.100000115.4P152 N157P152-G155 PolarHBondContact O-N 3.09Å; G155-N157 VanDerWaalsContact C-N 3.31Å
156R78.9Confident87.6Confident239 Ų23959.7 Ų59.790%0.90229%0.294SS*.THydrogen-bonded Turntrans-87.2-4.3175-65.6-176.7-178.2175.60.4113.6Y154Y154-R156 PolarHBondContact O-N 3.37Å
157N88.6Confident86.8Confident50 Ų5061.2 Ų61.227%0.26731%0.312SS..THydrogen-bonded Turntrans-111.922.6-171.9-72.5-34.6000111.1L32 S153 Y154 G155 L178 K179L32-N157 VanDerWaalsContact CD1-C 3.43Å; L32-N157 VanDerWaalsContact CD1-O 3.3Å; L32-N157 WeakPolarHBondContact CD1-O 3.15Å; S153-N157 PolarHBondContact O-ND2 2.67Å; Y154-N157 CarbonylContact O-C 3.54Å; Y154-N157 WeakPolarHBondContact O-CA 3.48Å; Y154-N157 PolarHBondContact O-N 3.07Å; G155-N157 VanDerWaalsContact C-N 3.31Å; N157-L178 CarbonylContact O-C 3.21Å; N157-L178 WeakPolarHBondContact O-CA 3.48Å; N157-K179 HydrophobicContact CB-CB 3.99Å; N157-K179 PolarHBondContact O-N 3.02Å
158L92.3Very high86.1Confident7 Ų771.9 Ų71.94%0.03735%0.35CS..EExtended strand (participates in β ladder)trans-130.5125.9-178.1174.562.3000110.9H128 Y145 L148 L149 Y154 I160 F176 L177 L178H128-L158 PolarHBondContact CE1-O 2.98Å; Y145-L158 HydrophobicContact CD2-CD2 3.65Å; Y145-L158 HydrophobicContact CE2-CD2 3.66Å; Y145-L158 HydrophobicContact CE2-CG 4.34Å; L148-L158 HydrophobicContact CB-CD2 4.41Å; L148-L158 HydrophobicContact CD1-CD2 4.47Å; L149-L158 HydrophobicContact CD2-CD2 4.22Å; Y154-L158 VanDerWaalsContact O-CB 3.25Å; Y154-L158 WeakPolarHBondContact O-CB 3.14Å; Y154-L158 PolarHBondContact O-N 3.29Å; Y154-L158 VanDerWaalsContact O-N 3.08Å; L158-I160 HydrophobicContact CD1-CG2 4.16Å; L158-I160 HydrophobicContact CG-CG2 4.31Å; L158-F176 HydrophobicContact CD1-CB 4.39Å; L158-F176 HydrophobicContact CD1-CD1 4.03Å; L158-L177 WeakPolarHBondContact CA-O 3.25Å; L158-L178 HydrophobicContact CD1-CD1 4.28Å; L158-L178 HydrophobicContact CD1-CD2 4.2Å; L158-L178 HydrophobicContact CD1-CG 3.76Å
159E93.9Very high85.3Confident13 Ų1375.6 Ų75.66%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-117.8148.5167.6-77.7174-174.900109.6G31 L32 Y65 A66 L177G31-E159 VanDerWaalsContact C-OE1 3.29Å; G31-E159 WeakPolarHBondContact CA-OE1 3.28Å; L32-E159 HydrophobicContact CD1-CB 3.96Å; L32-E159 HydrophobicContact CD1-CG 3.78Å; L32-E159 HydrophobicContact CG-CG 3.85Å; L32-E159 PolarHBondContact N-OE1 3.5Å; Y65-E159 HydrophobicContact CE2-CG 4.06Å; A66-E159 HydrophobicContact CB-CB 4.09Å; A66-E159 PolarHBondContact N-OE2 2.98Å; E159-L177 HydrophobicContact CB-CB 4.31Å; E159-L177 PolarHBondContact N-O 2.86Å; E159-L177 PolarHBondContact O-N 3.12Å
160I94.5Very high84.6Confident0 Ų074.3 Ų74.30%038%0.375CS..EExtended strand (participates in β ladder)trans-133.4147.1178.459.8164.6000110.7Y65 Q131 C132 L135 Y145 L158 R175 F176Y65-I160 VanDerWaalsContact CE1-O 3.24Å; Y65-I160 WeakPolarHBondContact CE1-O 3.39Å; Y65-I160 PolarHBondContact OH-O 3Å; Q131-I160 HydrophobicContact CB-CG1 4.18Å; Q131-I160 WeakPolarHBondContact CB-O 3.41Å; C132-I160 HydrophobicContact CB-CD1 4.15Å; C132-I160 VanDerWaalsContact SG-CD1 3.59Å; L135-I160 HydrophobicContact CB-CD1 4.12Å; L135-I160 HydrophobicContact CD2-CD1 3.81Å; L135-I160 HydrophobicContact CG-CD1 4.47Å; Y145-I160 HydrophobicContact CD2-CD1 4.17Å; Y145-I160 HydrophobicContact CD2-CG2 3.84Å; Y145-I160 HydrophobicContact CE2-CD1 4.1Å; Y145-I160 HydrophobicContact CE2-CG2 4.11Å; L158-I160 HydrophobicContact CD1-CG2 4.16Å; L158-I160 HydrophobicContact CG-CG2 4.31Å; I160-R175 CarbonylContact C-O 3.54Å; I160-R175 VanDerWaalsContact CA-O 3.26Å; I160-R175 WeakPolarHBondContact CA-O 3.31Å; I160-F176 HydrophobicContact CG2-CD1 3.65Å; I160-F176 HydrophobicContact CG2-CE1 3.81Å; I160-F176 HydrophobicContact CG2-CG 4.18Å; I160-F176 HydrophobicContact CG2-CZ 4.46Å
161Y94.1Very high84.3Confident60 Ų6071.5 Ų71.524%0.23536%0.361CS..EExtended strand (participates in β ladder)trans-130.2118.9170177.7-93000108.7A174 R175Y161-A174 CarbonylContact O-C 3.57Å; Y161-A174 VanDerWaalsContact O-CA 3.25Å; Y161-A174 WeakPolarHBondContact O-CA 3.29Å; Y161-R175 PolarHBondContact N-O 2.91Å; Y161-R175 PolarHBondContact O-N 2.66Å
162A92.9Very high84.3Confident0 Ų068.9 Ų68.90%035%0.347CS..EExtended strand (participates in β ladder)trans-93.4117.5171.700000109Q131 R134 F172Q131-A162 PolarHBondContact OE1-O 3.39Å; R134-A162 HydrophobicContact CB-CB 3.79Å; R134-A162 PolarHBondContact NH1-O 2.96Å; R134-A162 PolarHBondContact NH2-O 2.9Å; A162-F172 HydrophobicContact CB-CE2 4.06Å; A162-F172 HydrophobicContact CB-CZ 3.6Å
163G87.1Confident84.5Confident4 Ų465.7 Ų65.74%0.04133%0.328CS..PPolyproline II helixtrans-64.7156.8172.900000111.4R134 S173R134-G163 PolarHBondContact NH2-O 3.45Å; G163-S173 WeakPolarHBondContact CA-O 3.48Å; G163-S173 PolarHBondContact N-O 3.46Å
164R82.3Confident85.2Confident121 Ų12164.1 Ų64.146%0.45732%0.317SS..PPolyproline II helixtrans-69.7139.6171.6-77-170.9178157.311.4109E91 D92 R134 N166E91-R164 PolarHBondContact O-NH2 2.99Å; D92-R164 IonicContact OD1-NH2 3.93Å; R134-R164 VanDerWaalsContact NH2-N 3.16Å; R164-N166 PolarHBondContact O-N 3Å
165K80.9Confident85.8Confident124 Ų12466 Ų6654%0.53932%0.324SS..PPolyproline II helixtrans-59.3124.1171.1-165.4174.4-172.7172.20108.7S167 G170 E171K165-S167 PolarHBondContact O-N 3.45Å; K165-G170 WeakPolarHBondContact CE-O 3.44Å; K165-G170 WeakPolarHBondContact CG-O 3.36Å; K165-E171 CarbonylContact C-O 3.3Å; K165-E171 WeakPolarHBondContact CA-O 3.22Å
166N79.5Confident86.8Confident58 Ų5864.5 Ų64.531%0.3131%0.308SS..PPolyproline II helixtrans-63.9121.8177.1179.8-29.3000108.8R164 W168 T169 G170 E171R164-N166 PolarHBondContact O-N 3Å; N166-W168 PolarHBondContact O-N 3.24Å; N166-W168 VanDerWaalsContact OD1-CE3 3.29Å; N166-W168 PolarHBondContact OD1-N 3.48Å; N166-T169 VanDerWaalsContact CB-OG1 3.27Å; N166-T169 WeakPolarHBondContact CB-OG1 3.4Å; N166-T169 PolarHBondContact ND2-OG1 3.15Å; N166-T169 PolarHBondContact OD1-N 3.01Å; N166-G170 WeakPolarHBondContact O-CA 3.45Å; N166-G170 PolarHBondContact O-N 2.88Å; N166-E171 PolarHBondContact N-O 3.05Å
167S78.2Confident87.6Confident115 Ų11553.3 Ų53.380%0.80427%0.266SS*.THydrogen-bonded Turntrans-63.2-22.6-176.9-52.20000113.9K165K165-S167 PolarHBondContact O-N 3.45Å
168W77.9Confident87.8Confident236 Ų23650.9 Ų50.989%0.89425%0.253SS*.THydrogen-bonded Turntrans-95.7-45.9-178.5-59.5-78.8000112.8N166N166-W168 PolarHBondContact O-N 3.24Å; N166-W168 VanDerWaalsContact OD1-CE3 3.29Å; N166-W168 PolarHBondContact OD1-N 3.48Å
169T77.8Confident87.9Confident77 Ų7752.8 Ų52.847%0.47226%0.261SS..THydrogen-bonded Turntrans-92.4-19.2-177.463.80000112.8N166 E171N166-T169 VanDerWaalsContact CB-OG1 3.27Å; N166-T169 WeakPolarHBondContact CB-OG1 3.4Å; N166-T169 PolarHBondContact ND2-OG1 3.15Å; N166-T169 PolarHBondContact OD1-N 3.01Å; T169-E171 WeakPolarHBondContact CB-OE2 3.41Å; T169-E171 PolarHBondContact O-N 3.29Å; T169-E171 WeakPolarHBondContact OG1-CB 3.41Å; T169-E171 VanDerWaalsContact OG1-CD 3.32Å; T169-E171 WeakPolarHBondContact OG1-CG 3.49Å; T169-E171 PolarHBondContact OG1-N 2.99Å; T169-E171 PolarHBondContact OG1-OE2 3.14Å
170G77.1Confident87.8Confident35 Ų3552.4 Ų52.436%0.36126%0.26SS..  trans70.16.2-171.100000113.4K165 N166K165-G170 WeakPolarHBondContact CE-O 3.44Å; K165-G170 WeakPolarHBondContact CG-O 3.36Å; N166-G170 WeakPolarHBondContact O-CA 3.45Å; N166-G170 PolarHBondContact O-N 2.88Å
171E82.8Confident87.8Confident102 Ų10255.5 Ų55.548%0.47728%0.28SS..  trans-70.6140-179-71.1162.3160.300110.8K165 N166 T169K165-E171 CarbonylContact C-O 3.3Å; K165-E171 WeakPolarHBondContact CA-O 3.22Å; N166-E171 PolarHBondContact N-O 3.05Å; T169-E171 WeakPolarHBondContact CB-OE2 3.41Å; T169-E171 PolarHBondContact O-N 3.29Å; T169-E171 WeakPolarHBondContact OG1-CB 3.41Å; T169-E171 VanDerWaalsContact OG1-CD 3.32Å; T169-E171 WeakPolarHBondContact OG1-CG 3.49Å; T169-E171 PolarHBondContact OG1-N 2.99Å; T169-E171 PolarHBondContact OG1-OE2 3.14Å
172F87.1Confident87.6Confident10 Ų1053.4 Ų53.44%0.04427%0.273CS..  trans-121.1119.8178.1175.8-89000107.4L135 L141 A162 A174 D212 A213L135-F172 HydrophobicContact CD1-CE1 4.31Å; L135-F172 HydrophobicContact CD1-CZ 4.49Å; L141-F172 HydrophobicContact CD1-CD1 3.67Å; L141-F172 HydrophobicContact CD1-CE1 3.59Å; A162-F172 HydrophobicContact CB-CE2 4.06Å; A162-F172 HydrophobicContact CB-CZ 3.6Å; F172-A174 HydrophobicContact CE1-CB 4.15Å; F172-D212 CarbonylContact O-C 3.56Å; F172-D212 VanDerWaalsContact O-C 3.3Å; F172-A213 HydrophobicContact CB-CB 4.34Å; F172-A213 PolarHBondContact O-N 3.43Å
173S90.9Very high87.5Confident50 Ų5057.8 Ų57.835%0.3530%0.297SS..  trans-101.6151.6175.659.90000110.2G163 F210G163-S173 WeakPolarHBondContact CA-O 3.48Å; G163-S173 PolarHBondContact N-O 3.46Å; S173-F210 CarbonylContact C-O 3.59Å; S173-F210 WeakPolarHBondContact CA-O 3.42Å; S173-F210 VanDerWaalsContact CB-O 3.22Å; S173-F210 WeakPolarHBondContact CB-O 3.37Å
174A94.5Very high87.6Confident5 Ų558 Ų584%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-142.3157.3172.500000110.6L135 L141 Y161 F172 F176 F210L135-A174 HydrophobicContact CD1-CB 3.99Å; L141-A174 HydrophobicContact CD1-CB 3.72Å; Y161-A174 CarbonylContact O-C 3.57Å; Y161-A174 VanDerWaalsContact O-CA 3.25Å; Y161-A174 WeakPolarHBondContact O-CA 3.29Å; F172-A174 HydrophobicContact CE1-CB 4.15Å; A174-F176 HydrophobicContact CB-CE2 4.2Å; A174-F210 PolarHBondContact N-O 3.37Å; A174-F210 PolarHBondContact O-N 3.19Å
175R95.3Very high87.8Confident49 Ų4956.6 Ų56.619%0.18531%0.305CS..EExtended strand (participates in β ladder)trans-133.4136.9173-172-178-67.3155.711.5110.5A66 G67 E68 I160 Y161 S207 V208 S209A66-R175 WeakPolarHBondContact O-CD 3.03Å; G67-R175 PolarHBondContact O-NH1 3.32Å; E68-R175 VanDerWaalsContact CD-NH1 3.26Å; E68-R175 VanDerWaalsContact CG-NH1 3.29Å; E68-R175 IonicContact OE1-CZ 3.12Å; E68-R175 IonicContact OE1-NH1 2.66Å; E68-R175 PolarHBondContact OE1-NH1 3.13Å; E68-R175 IonicContact OE1-NH2 2.72Å; E68-R175 PolarHBondContact OE1-NH2 2.77Å; I160-R175 CarbonylContact C-O 3.54Å; I160-R175 VanDerWaalsContact CA-O 3.26Å; I160-R175 WeakPolarHBondContact CA-O 3.31Å; Y161-R175 PolarHBondContact N-O 2.91Å; Y161-R175 PolarHBondContact O-N 2.66Å; R175-S207 WeakPolarHBondContact CD-OG 3.42Å; R175-V208 WeakPolarHBondContact CA-O 3.31Å; R175-S209 PolarHBondContact NE-OG 3.46Å; R175-S209 VanDerWaalsContact NE-OG 3.12Å
176F95.6Very high88Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-112.3128.7174.5-67.9-109.8000107.7L135 E144 Y145 L148 L158 I160 A174 L178 S207 V208 F210 L249L135-F176 HydrophobicContact CD1-CZ 4.26Å; L135-F176 HydrophobicContact CD2-CE1 4.45Å; L135-F176 HydrophobicContact CD2-CZ 4.02Å; E144-F176 HydrophobicContact CB-CE1 4.38Å; E144-F176 HydrophobicContact CB-CZ 4.16Å; Y145-F176 HydrophobicContact CD2-CE1 4.25Å; L148-F176 HydrophobicContact CD1-CD1 4.29Å; L158-F176 HydrophobicContact CD1-CB 4.39Å; L158-F176 HydrophobicContact CD1-CD1 4.03Å; I160-F176 HydrophobicContact CG2-CD1 3.65Å; I160-F176 HydrophobicContact CG2-CE1 3.81Å; I160-F176 HydrophobicContact CG2-CG 4.18Å; I160-F176 HydrophobicContact CG2-CZ 4.46Å; A174-F176 HydrophobicContact CB-CE2 4.2Å; F176-L178 HydrophobicContact CB-CD1 4.07Å; F176-S207 CarbonylContact O-C 3.59Å; F176-S207 VanDerWaalsContact O-CA 3.28Å; F176-S207 WeakPolarHBondContact O-CA 3.5Å; F176-V208 PolarHBondContact N-O 2.93Å; F176-V208 PolarHBondContact O-N 3.21Å; F176-F210 AromaticContact CD2-CD2 3.78Å; F176-F210 HydrophobicContact CD2-CD2 3.78Å; F176-F210 AromaticContact CD2-CE2 3.46Å; F176-F210 HydrophobicContact CD2-CE2 3.46Å; F176-F210 VanDerWaalsContact CD2-CE2 3.46Å; F176-F210 AromaticContact CE2-CD2 3.92Å; F176-F210 HydrophobicContact CE2-CD2 3.92Å; F176-F210 AromaticContact CE2-CE2 3.74Å; F176-F210 HydrophobicContact CE2-CE2 3.74Å; F176-F210 HydrophobicContact CG-CE2 4.38Å; F176-L249 HydrophobicContact CB-CD1 4.2Å; F176-L249 HydrophobicContact CD1-CD1 3.81Å; F176-L249 HydrophobicContact CD2-CD1 4.23Å; F176-L249 HydrophobicContact CE1-CD1 4.22Å; F176-L249 HydrophobicContact CG-CD1 3.82Å
177L95.4Very high88.2Confident3 Ų353 Ų532%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-118120.3172.9-176.869.7000108.2L32 D33 L158 E159 L205 L206L32-L177 HydrophobicContact CB-CD2 4.15Å; L32-L177 WeakPolarHBondContact CD1-O 3.43Å; D33-L177 HydrophobicContact CB-CD2 4.38Å; L158-L177 WeakPolarHBondContact CA-O 3.25Å; E159-L177 HydrophobicContact CB-CB 4.31Å; E159-L177 PolarHBondContact N-O 2.86Å; E159-L177 PolarHBondContact O-N 3.12Å; L177-L205 HydrophobicContact CD1-CB 4.03Å; L177-L206 WeakPolarHBondContact CA-O 3.43Å
178L94.5Very high88.3Confident0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans-118.7134.3-177.3-60.396.6000111.1L148 Y154 N157 L158 F176 L180 L205 L206 V253L148-L178 HydrophobicContact CD1-CD2 3.96Å; L148-L178 HydrophobicContact CD2-CD2 4.08Å; Y154-L178 HydrophobicContact CD1-CD2 4.05Å; Y154-L178 HydrophobicContact CG-CD2 4.4Å; N157-L178 CarbonylContact O-C 3.21Å; N157-L178 WeakPolarHBondContact O-CA 3.48Å; L158-L178 HydrophobicContact CD1-CD1 4.28Å; L158-L178 HydrophobicContact CD1-CD2 4.2Å; L158-L178 HydrophobicContact CD1-CG 3.76Å; F176-L178 HydrophobicContact CB-CD1 4.07Å; L178-L180 HydrophobicContact CB-CD2 4.48Å; L178-L205 CarbonylContact O-C 3.54Å; L178-L205 VanDerWaalsContact O-CA 3.25Å; L178-L205 WeakPolarHBondContact O-CA 3.29Å; L178-L206 PolarHBondContact N-O 2.86Å; L178-L206 PolarHBondContact O-N 3.41Å; L178-V253 HydrophobicContact CD2-CG1 4.44Å; L178-V253 HydrophobicContact CD2-CG2 4.16Å
179K93.3Very high88.1Confident46 Ų4643 Ų4320%0.225%0.252CS..EExtended strand (participates in β ladder)trans-82.2114.8162.6178.7175.1179.6170.40108.8L32 N157 E201 V203 L205L32-K179 HydrophobicContact CD2-CB 4.21Å; N157-K179 HydrophobicContact CB-CB 3.99Å; N157-K179 PolarHBondContact O-N 3.02Å; K179-E201 IonicContact NZ-OE1 3.62Å; K179-E201 PolarHBondContact NZ-OE1 3.23Å; K179-E201 IonicContact NZ-OE2 2.83Å; K179-E201 PolarHBondContact NZ-OE2 2.88Å; K179-E201 VanDerWaalsContact NZ-OE2 3.09Å; K179-V203 HydrophobicContact CD-CG1 4.39Å; K179-L205 HydrophobicContact CB-CD2 3.87Å; K179-L205 HydrophobicContact CG-CD2 4.33Å
180L93.3Very high87.6Confident5 Ų542.8 Ų42.83%0.02624%0.243CC..  trans-74.3131.6-175.3-60.6-175000110.8L178 V182 A204 L206 L222 V253 V256 L260L178-L180 HydrophobicContact CB-CD2 4.48Å; L180-V182 HydrophobicContact CB-CG2 4.39Å; L180-V182 PolarHBondContact O-N 3.16Å; L180-A204 HydrophobicContact CB-CB 4.39Å; L180-A204 HydrophobicContact CD1-CB 4.33Å; L180-A204 PolarHBondContact N-O 2.9Å; L180-L206 HydrophobicContact CD1-CB 4.19Å; L180-L206 HydrophobicContact CD2-CB 3.72Å; L180-L206 HydrophobicContact CD2-CD2 4.13Å; L180-L206 HydrophobicContact CG-CB 4.06Å; L180-L222 HydrophobicContact CD1-CD1 3.73Å; L180-V253 HydrophobicContact CD2-CG1 3.91Å; L180-V256 HydrophobicContact CD1-CG1 3.97Å; L180-L260 HydrophobicContact CD1-CD2 4.18Å
181P92.4Very high86.7Confident66 Ų6645.8 Ų45.843%0.42925%0.25SS..  trans-79.664.4-179.933.6-37.3000111.3Y154Y154-P181 HydrophobicContact CE1-CG 3.93Å
182V91.4Very high85.7Confident15 Ų1542.8 Ų42.89%0.09124%0.237CC..  trans-110.8134175.7178.50000109L180 F184 C257 L260 V264L180-V182 HydrophobicContact CB-CG2 4.39Å; L180-V182 PolarHBondContact O-N 3.16Å; V182-F184 HydrophobicContact CB-CE1 4.11Å; V182-F184 HydrophobicContact CB-CE2 3.83Å; V182-F184 HydrophobicContact CB-CZ 3.54Å; V182-F184 HydrophobicContact CG1-CD1 4.21Å; V182-F184 HydrophobicContact CG1-CE1 3.63Å; V182-F184 HydrophobicContact CG1-CE2 4.21Å; V182-F184 HydrophobicContact CG1-CZ 3.62Å; V182-F184 WeakPolarHBondContact O-CD2 3.48Å; V182-F184 VanDerWaalsContact O-CE2 3.25Å; V182-F184 WeakPolarHBondContact O-CE2 3.41Å; V182-F184 PolarHBondContact O-N 2.84Å; V182-C257 HydrophobicContact CG2-CB 4.32Å; V182-L260 HydrophobicContact CB-CD2 4.44Å; V182-L260 HydrophobicContact CG1-CG 4.26Å; V182-L260 HydrophobicContact CG2-CB 4.3Å; V182-L260 HydrophobicContact CG2-CD2 4.16Å; V182-L260 HydrophobicContact CG2-CG 4.38Å; V182-V264 HydrophobicContact CG1-CG2 4.4Å
183D90.3Very high84.4Confident92 Ų9252.7 Ų52.749%0.49228%0.28SS..  trans-79.4116.1177.5179.919.6000111.1S185D183-S185 VanDerWaalsContact OD1-CB 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.13Å; D183-S185 PolarHBondContact OD1-OG 2.76Å
184F89.7Confident83.2Confident9 Ų954.1 Ų54.14%0.03928%0.284CS..  trans-108.51.8178-57.3-68.4000113V182 N186 I187 D202 A204 I228 L260 V264V182-F184 HydrophobicContact CB-CE1 4.11Å; V182-F184 HydrophobicContact CB-CE2 3.83Å; V182-F184 HydrophobicContact CB-CZ 3.54Å; V182-F184 HydrophobicContact CG1-CD1 4.21Å; V182-F184 HydrophobicContact CG1-CE1 3.63Å; V182-F184 HydrophobicContact CG1-CE2 4.21Å; V182-F184 HydrophobicContact CG1-CZ 3.62Å; V182-F184 WeakPolarHBondContact O-CD2 3.48Å; V182-F184 VanDerWaalsContact O-CE2 3.25Å; V182-F184 WeakPolarHBondContact O-CE2 3.41Å; V182-F184 PolarHBondContact O-N 2.84Å; F184-N186 PolarHBondContact O-N 3.08Å; F184-I187 HydrophobicContact CB-CD1 3.99Å; F184-I187 HydrophobicContact CB-CG1 4.46Å; F184-I187 HydrophobicContact CD1-CD1 3.59Å; F184-I187 HydrophobicContact CG-CD1 4.25Å; F184-I187 WeakPolarHBondContact O-CB 3.49Å; F184-I187 WeakPolarHBondContact O-CG1 3.46Å; F184-I187 PolarHBondContact O-N 2.95Å; F184-D202 HydrophobicContact CB-CB 4Å; F184-D202 WeakPolarHBondContact CD2-O 3.44Å; F184-A204 HydrophobicContact CE2-CB 3.95Å; F184-A204 HydrophobicContact CZ-CB 3.62Å; F184-I228 HydrophobicContact CB-CD1 4.21Å; F184-I228 HydrophobicContact CB-CG1 4.36Å; F184-I228 HydrophobicContact CD1-CD1 3.67Å; F184-I228 HydrophobicContact CD1-CG1 3.88Å; F184-I228 HydrophobicContact CD1-CG2 4.26Å; F184-I228 HydrophobicContact CD2-CD1 3.58Å; F184-I228 HydrophobicContact CE1-CD1 3.8Å; F184-I228 HydrophobicContact CE1-CG1 4.26Å; F184-I228 HydrophobicContact CE1-CG2 3.99Å; F184-I228 HydrophobicContact CE2-CD1 3.75Å; F184-I228 HydrophobicContact CG-CD1 3.54Å; F184-I228 HydrophobicContact CG-CG1 4.01Å; F184-I228 HydrophobicContact CZ-CD1 3.85Å; F184-L260 HydrophobicContact CE1-CD1 4.48Å; F184-L260 HydrophobicContact CE1-CD2 4.04Å; F184-L260 HydrophobicContact CE1-CG 4.08Å; F184-L260 HydrophobicContact CZ-CD2 3.63Å; F184-L260 HydrophobicContact CZ-CG 4.16Å; F184-V264 HydrophobicContact CD1-CG1 4.49Å; F184-V264 HydrophobicContact CD1-CG2 3.8Å; F184-V264 HydrophobicContact CE1-CG2 3.65Å
185S86.9Confident81.6Confident91 Ų9160.3 Ų60.364%0.63632%0.322SS*.THydrogen-bonded Turntrans-62-20.9-168.179.40000114.6D183D183-S185 VanDerWaalsContact OD1-CB 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.13Å; D183-S185 PolarHBondContact OD1-OG 2.76Å
186N84.5Confident79.9Confident89 Ų8962.2 Ų62.248%0.47635%0.348SS..THydrogen-bonded Turntrans-104.17.5-176.4-66.5-57.3000113.2F184 I268F184-N186 PolarHBondContact O-N 3.08Å; N186-I268 HydrophobicContact CB-CD1 3.82Å; N186-I268 HydrophobicContact CB-CG1 4.32Å; N186-I268 HydrophobicContact CB-CG2 4.41Å
187I84.1Confident78.5Confident18 Ų1867.3 Ų67.39%0.09238%0.375CS..SBendtrans-65.3141.9175.8-73.6-173.3000110.1F184 V189 I228 A231 V264F184-I187 HydrophobicContact CB-CD1 3.99Å; F184-I187 HydrophobicContact CB-CG1 4.46Å; F184-I187 HydrophobicContact CD1-CD1 3.59Å; F184-I187 HydrophobicContact CG-CD1 4.25Å; F184-I187 WeakPolarHBondContact O-CB 3.49Å; F184-I187 WeakPolarHBondContact O-CG1 3.46Å; F184-I187 PolarHBondContact O-N 2.95Å; I187-V189 PolarHBondContact O-N 3.24Å; I187-I228 HydrophobicContact CD1-CG1 4.1Å; I187-I228 HydrophobicContact CD1-CG2 4.47Å; I187-A231 HydrophobicContact CD1-CB 4.43Å; I187-A231 HydrophobicContact CG2-CB 3.36Å; I187-V264 HydrophobicContact CD1-CG1 4.11Å; I187-V264 HydrophobicContact CD1-CG2 4.22Å; I187-V264 HydrophobicContact CG1-CG1 4.05Å
188P80.4Confident77.3Confident24 Ų2472.1 Ų72.116%0.15640%0.4CS..PPolyproline II helixtrans-58.3139.2177.5-25.336.2000112.4Y190 Y271P188-Y190 PolarHBondContact O-N 3.05Å; P188-Y271 HydrophobicContact CB-CD2 3.71Å; P188-Y271 HydrophobicContact CB-CE2 3.67Å; P188-Y271 HydrophobicContact CB-CG 4.28Å; P188-Y271 HydrophobicContact CG-CD1 4.17Å; P188-Y271 HydrophobicContact CG-CD2 3.38Å; P188-Y271 HydrophobicContact CG-CE2 3.86Å; P188-Y271 HydrophobicContact CG-CG 3.53Å
189V72.8Confident76Confident117 Ų11774.2 Ų74.271%0.70941%0.414SS*.PPolyproline II helixtrans-59.2134.6178.5-178.40000110.4I187I187-V189 PolarHBondContact O-N 3.24Å
190Y67.1Low75.2Confident73 Ų7373 Ų7329%0.28641%0.414SS..PPolyproline II helixtrans-100.8118.7173.4172.5-130000109.9P188 L192 H230P188-Y190 PolarHBondContact O-N 3.05Å; Y190-L192 HydrophobicContact CD1-CD2 4.11Å; Y190-L192 HydrophobicContact CD1-CG 4.1Å; Y190-L192 HydrophobicContact CE1-CD2 3.34Å; Y190-L192 HydrophobicContact CE1-CG 3.78Å; Y190-L192 PolarHBondContact O-N 2.89Å; Y190-H230 HydrophobicContact CD2-CB 4.2Å; Y190-H230 AromaticContact CD2-CE1 3.55Å; Y190-H230 AromaticContact CD2-CG 3.74Å; Y190-H230 AromaticContact CD2-ND1 3.03Å; Y190-H230 WeakPolarHBondContact CD2-ND1 3.5Å; Y190-H230 HydrophobicContact CE2-CB 4.48Å; Y190-H230 AromaticContact CE2-CE1 3.44Å; Y190-H230 VanDerWaalsContact CE2-CE1 3.44Å; Y190-H230 WeakPolarHBondContact CE2-CE1 3.36Å; Y190-H230 AromaticContact CE2-CG 3.95Å; Y190-H230 AromaticContact CE2-ND1 2.89Å; Y190-H230 WeakPolarHBondContact CE2-ND1 3.3Å; Y190-H230 HydrophobicContact CG-CB 4.34Å; Y190-H230 AromaticContact CG-ND1 3.97Å; Y190-H230 AromaticContact CZ-ND1 3.7Å
191L59.3Low74.6Confident97 Ų9777 Ų7751%0.50843%0.433SS..  trans-80113165.9-77-167.8000110.5E295L191-E295 WeakPolarHBondContact CB-OE2 3.48Å; L191-E295 HydrophobicContact CD1-CG 4.48Å; L191-E295 WeakPolarHBondContact CD1-OE1 3.48Å; L191-E295 WeakPolarHBondContact CD1-OE2 3.3Å; L191-E295 VanDerWaalsContact CG-CD 3.44Å; L191-E295 HydrophobicContact CG-CG 4.45Å; L191-E295 WeakPolarHBondContact CG-OE2 3.25Å
192L61.5Low74.3Confident39 Ų3976.9 Ų76.920%0.20443%0.429CS..  trans-65143.5165.9-75.2162.9000110Y190 D194 L197 P199Y190-L192 HydrophobicContact CD1-CD2 4.11Å; Y190-L192 HydrophobicContact CD1-CG 4.1Å; Y190-L192 HydrophobicContact CE1-CD2 3.34Å; Y190-L192 HydrophobicContact CE1-CG 3.78Å; Y190-L192 PolarHBondContact O-N 2.89Å; L192-D194 WeakPolarHBondContact CB-O 3.27Å; L192-D194 PolarHBondContact O-N 3.42Å; L192-L197 HydrophobicContact CD1-CB 3.97Å; L192-L197 WeakPolarHBondContact CD1-O 3.43Å; L192-P199 HydrophobicContact CD1-CB 3.89Å; L192-P199 HydrophobicContact CD1-CG 4.16Å
193K60.3Low74.2Confident218 Ų21876.4 Ų76.495%0.94843%0.425SS*.SBendtrans-59.7-25.5172.9-74-175.2177.7178.30112.7
194D64.3Low74.3Confident81 Ų8172 Ų7243%0.43340%0.402SS..SBendtrans-118109.8174.4-175-7.1000108L192 A196 L197L192-D194 WeakPolarHBondContact CB-O 3.27Å; L192-D194 PolarHBondContact O-N 3.42Å; D194-A196 PolarHBondContact O-N 3.48Å; D194-A196 VanDerWaalsContact OD1-CB 3.31Å; D194-A196 WeakPolarHBondContact OD1-CB 3.32Å; D194-A196 PolarHBondContact OD1-N 2.93Å; D194-L197 HydrophobicContact CB-CD1 3.86Å; D194-L197 PolarHBondContact O-N 3.19Å
195T60.4Low74.4Confident135 Ų13571.8 Ų71.883%0.82840%0.401SS*.THydrogen-bonded Turntrans-69.4-8.6-17952.10000113
196A60.6Low74.8Confident89 Ų8967.4 Ų67.474%0.73637%0.371SS*.THydrogen-bonded Turntrans-85.6-12.717600000113.4D194D194-A196 PolarHBondContact O-N 3.48Å; D194-A196 VanDerWaalsContact OD1-CB 3.31Å; D194-A196 WeakPolarHBondContact OD1-CB 3.32Å; D194-A196 PolarHBondContact OD1-N 2.93Å
197L66.3Low75.3Confident107 Ų10763.3 Ų63.356%0.5635%0.349SS*.SBendtrans-84.2120.8175.6-89.6145000109.7L192 D194 P199L192-L197 HydrophobicContact CD1-CB 3.97Å; L192-L197 WeakPolarHBondContact CD1-O 3.43Å; D194-L197 HydrophobicContact CB-CD1 3.86Å; D194-L197 PolarHBondContact O-N 3.19Å; L197-P199 WeakPolarHBondContact O-CD 3.3Å
198D69.3Low75.9Confident103 Ų10362.5 Ų62.555%0.55135%0.345SS*.  trans-74.4117.71671788.9000108.3R29 G200R29-D198 IonicContact CZ-OD2 3.78Å; R29-D198 IonicContact NH2-OD2 2.67Å; R29-D198 PolarHBondContact NH2-OD2 3.03Å; D198-G200 PolarHBondContact O-N 3.37Å; D198-G200 VanDerWaalsContact O-N 3.1Å; D198-G200 PolarHBondContact OD1-N 3.16Å
199P68.3Low76.5Confident45 Ų4562.3 Ų62.329%0.29234%0.344SS..  trans-64.6-10.517825.8-31.8000113.1L192 L197L192-P199 HydrophobicContact CD1-CB 3.89Å; L192-P199 HydrophobicContact CD1-CG 4.16Å; L197-P199 WeakPolarHBondContact O-CD 3.3Å
200G75.6Confident77.6Confident20 Ų2056.8 Ų56.821%0.20631%0.31CS..  trans82.5-171.2-178.500000112.2D198D198-G200 PolarHBondContact O-N 3.37Å; D198-G200 VanDerWaalsContact O-N 3.1Å; D198-G200 PolarHBondContact OD1-N 3.16Å
201E80.6Confident78.7Confident90 Ų9058 Ų5842%0.42132%0.319SS..  trans-73141.9176.5-167.4-169.817200110.5K179 V203 S225K179-E201 IonicContact NZ-OE1 3.62Å; K179-E201 PolarHBondContact NZ-OE1 3.23Å; K179-E201 IonicContact NZ-OE2 2.83Å; K179-E201 PolarHBondContact NZ-OE2 2.88Å; K179-E201 VanDerWaalsContact NZ-OE2 3.09Å; E201-V203 HydrophobicContact CB-CG1 3.85Å; E201-V203 VanDerWaalsContact CD-CG1 3.43Å; E201-V203 HydrophobicContact CG-CG1 3.61Å; E201-V203 PolarHBondContact O-N 3.31Å; E201-S225 WeakPolarHBondContact O-CB 3.47Å
202D86.8Confident80Confident63 Ų6354.2 Ų54.234%0.33730%0.299SS..  trans-73.891.7173.4-70.9-33.2000110.6F184 S225 S227 I228F184-D202 HydrophobicContact CB-CB 4Å; F184-D202 WeakPolarHBondContact CD2-O 3.44Å; D202-S225 PolarHBondContact OD1-OG 2.86Å; D202-S227 WeakPolarHBondContact OD1-CB 3.02Å; D202-S227 PolarHBondContact OD1-OG 3.32Å; D202-S227 VanDerWaalsContact OD1-OG 3.04Å; D202-I228 HydrophobicContact CB-CD1 4.09Å; D202-I228 HydrophobicContact CB-CG1 4.27Å
203V88.7Confident81.1Confident4 Ų453.6 Ų53.62%0.02430%0.3CS..  trans-128.7148.1-176.2-56.90000112T35 K179 E201 L205 S225 I228T35-V203 HydrophobicContact CG2-CG2 3.99Å; K179-V203 HydrophobicContact CD-CG1 4.39Å; E201-V203 HydrophobicContact CB-CG1 3.85Å; E201-V203 VanDerWaalsContact CD-CG1 3.43Å; E201-V203 HydrophobicContact CG-CG1 3.61Å; E201-V203 PolarHBondContact O-N 3.31Å; V203-L205 HydrophobicContact CG2-CG 4.44Å; V203-S225 PolarHBondContact O-N 3.02Å; V203-I228 WeakPolarHBondContact O-CD1 3.43Å
204A91.9Very high82.3Confident0 Ų049.8 Ų49.80%029%0.285CS..EExtended strand (participates in β ladder)trans-116.7126.4166.800000108.9L180 F184 L222 Y223 L224 L260L180-A204 HydrophobicContact CB-CB 4.39Å; L180-A204 HydrophobicContact CD1-CB 4.33Å; L180-A204 PolarHBondContact N-O 2.9Å; F184-A204 HydrophobicContact CE2-CB 3.95Å; F184-A204 HydrophobicContact CZ-CB 3.62Å; A204-L222 HydrophobicContact CB-CD1 4.42Å; A204-Y223 CarbonylContact C-O 3.49Å; A204-Y223 WeakPolarHBondContact CA-O 3.41Å; A204-L224 HydrophobicContact CB-CD2 3.74Å; A204-L260 HydrophobicContact CB-CD2 3.57Å
205L93.1Very high83.3Confident4 Ų446.2 Ų46.22%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-113.4126.6-179.5-57.1176.1000109.8L32 D33 L177 L178 K179 V203 Y223L32-L205 HydrophobicContact CB-CD2 4.27Å; D33-L205 HydrophobicContact CB-CD1 4.32Å; L177-L205 HydrophobicContact CD1-CB 4.03Å; L178-L205 CarbonylContact O-C 3.54Å; L178-L205 VanDerWaalsContact O-CA 3.25Å; L178-L205 WeakPolarHBondContact O-CA 3.29Å; K179-L205 HydrophobicContact CB-CD2 3.87Å; K179-L205 HydrophobicContact CG-CD2 4.33Å; V203-L205 HydrophobicContact CG2-CG 4.44Å; L205-Y223 PolarHBondContact N-O 3.26Å; L205-Y223 PolarHBondContact O-N 2.93Å
206L94.9Very high84.6Confident0 Ų044.7 Ų44.70%026%0.258CS..EExtended strand (participates in β ladder)trans-103.1114.9173.7179.463.9000109.2L177 L178 L180 V208 P220 I240 Y252 V253 V256L177-L206 WeakPolarHBondContact CA-O 3.43Å; L178-L206 PolarHBondContact N-O 2.86Å; L178-L206 PolarHBondContact O-N 3.41Å; L180-L206 HydrophobicContact CD1-CB 4.19Å; L180-L206 HydrophobicContact CD2-CB 3.72Å; L180-L206 HydrophobicContact CD2-CD2 4.13Å; L180-L206 HydrophobicContact CG-CB 4.06Å; L206-V208 HydrophobicContact CD1-CG2 4.44Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å; L206-V208 HydrophobicContact CG-CG2 4.02Å; L206-P220 HydrophobicContact CD1-CB 4.49Å; L206-I240 HydrophobicContact CD1-CD1 4.19Å; L206-Y252 HydrophobicContact CD1-CE1 4.46Å; L206-Y252 HydrophobicContact CD2-CD1 4.41Å; L206-Y252 HydrophobicContact CD2-CE1 4.04Å; L206-V253 HydrophobicContact CD2-CG2 4.01Å; L206-V256 HydrophobicContact CD2-CB 4.42Å; L206-V256 HydrophobicContact CD2-CG1 4.44Å; L206-V256 HydrophobicContact CD2-CG2 4.33Å
207S95Very high86Confident3 Ų345.1 Ų45.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-98128171.7-178.90000109.4R175 F176 P220 K221R175-S207 WeakPolarHBondContact CD-OG 3.42Å; F176-S207 CarbonylContact O-C 3.59Å; F176-S207 VanDerWaalsContact O-CA 3.28Å; F176-S207 WeakPolarHBondContact O-CA 3.5Å; S207-P220 CarbonylContact O-C 3.59Å; S207-P220 WeakPolarHBondContact O-CA 3.09Å; S207-K221 PolarHBondContact N-O 2.96Å; S207-K221 PolarHBondContact O-N 2.97Å
208V95.9Very high87.4Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-123.3113.5173.7-171.10000108.4R175 F176 L206 F210 V218 P220 L249R175-V208 WeakPolarHBondContact CA-O 3.31Å; F176-V208 PolarHBondContact N-O 2.93Å; F176-V208 PolarHBondContact O-N 3.21Å; L206-V208 HydrophobicContact CD1-CG2 4.44Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å; L206-V208 HydrophobicContact CG-CG2 4.02Å; V208-F210 HydrophobicContact CB-CE2 4.22Å; V208-F210 HydrophobicContact CG1-CD2 4.39Å; V208-F210 HydrophobicContact CG1-CE2 3.71Å; V208-F210 HydrophobicContact CG1-CZ 3.89Å; V208-V218 HydrophobicContact CG1-CG1 3.37Å; V208-P220 HydrophobicContact CG2-CB 4.39Å; V208-L249 HydrophobicContact CB-CD2 4.04Å; V208-L249 HydrophobicContact CG1-CD2 3.95Å; V208-L249 HydrophobicContact CG2-CD2 3.81Å
209S94.9Very high88.6Confident20 Ų2040.7 Ų40.714%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-98.2128.6176.5-55.60000110.3R175 V218 F219R175-S209 PolarHBondContact NE-OG 3.46Å; R175-S209 VanDerWaalsContact NE-OG 3.12Å; S209-V218 CarbonylContact O-C 3.51Å; S209-V218 WeakPolarHBondContact O-CA 3.44Å; S209-F219 PolarHBondContact N-O 2.8Å; S209-F219 PolarHBondContact O-N 2.75Å
210F94.1Very high89.8Confident1 Ų140 Ų400%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-105118.1171.2-60.9-96.3000107.3L141 S173 A174 F176 V208 A215 V218 L249L141-F210 HydrophobicContact CD2-CB 3.99Å; L141-F210 HydrophobicContact CD2-CD1 3.65Å; L141-F210 HydrophobicContact CD2-CD2 4.02Å; L141-F210 HydrophobicContact CD2-CE1 4.11Å; L141-F210 HydrophobicContact CD2-CE2 4.44Å; L141-F210 HydrophobicContact CD2-CG 3.61Å; L141-F210 HydrophobicContact CD2-CZ 4.47Å; S173-F210 CarbonylContact C-O 3.59Å; S173-F210 WeakPolarHBondContact CA-O 3.42Å; S173-F210 VanDerWaalsContact CB-O 3.22Å; S173-F210 WeakPolarHBondContact CB-O 3.37Å; A174-F210 PolarHBondContact N-O 3.37Å; A174-F210 PolarHBondContact O-N 3.19Å; F176-F210 AromaticContact CD2-CD2 3.78Å; F176-F210 HydrophobicContact CD2-CD2 3.78Å; F176-F210 AromaticContact CD2-CE2 3.46Å; F176-F210 HydrophobicContact CD2-CE2 3.46Å; F176-F210 VanDerWaalsContact CD2-CE2 3.46Å; F176-F210 AromaticContact CE2-CD2 3.92Å; F176-F210 HydrophobicContact CE2-CD2 3.92Å; F176-F210 AromaticContact CE2-CE2 3.74Å; F176-F210 HydrophobicContact CE2-CE2 3.74Å; F176-F210 HydrophobicContact CG-CE2 4.38Å; V208-F210 HydrophobicContact CB-CE2 4.22Å; V208-F210 HydrophobicContact CG1-CD2 4.39Å; V208-F210 HydrophobicContact CG1-CE2 3.71Å; V208-F210 HydrophobicContact CG1-CZ 3.89Å; F210-A215 HydrophobicContact CD1-CB 3.56Å; F210-A215 HydrophobicContact CE1-CB 3.67Å; F210-V218 HydrophobicContact CD1-CB 4.47Å; F210-V218 HydrophobicContact CD1-CG1 4.15Å; F210-V218 HydrophobicContact CD1-CG2 3.62Å; F210-V218 HydrophobicContact CE1-CB 4.49Å; F210-V218 HydrophobicContact CE1-CG1 3.89Å; F210-V218 HydrophobicContact CE1-CG2 3.73Å; F210-V218 HydrophobicContact CZ-CG1 4.2Å; F210-L249 HydrophobicContact CE2-CD1 4.15Å; F210-L249 HydrophobicContact CZ-CD1 4.08Å; F210-L249 HydrophobicContact CZ-CD2 4.12Å; F210-L249 HydrophobicContact CZ-CG 4.07Å
211E90.9Very high90.7Very high99 Ų9944.4 Ų44.446%0.46323%0.227SC..SBendtrans-84.1-17.8178.3-66.7-171.417000112.4Q217 F219E211-Q217 HydrophobicContact CB-CB 4.06Å; E211-Q217 PolarHBondContact N-O 3.26Å; E211-Q217 PolarHBondContact OE2-OE1 3.24Å; E211-F219 HydrophobicContact CG-CD2 3.97Å; E211-F219 HydrophobicContact CG-CE2 3.74Å; E211-F219 WeakPolarHBondContact OE1-CE2 3.31Å; E211-F219 WeakPolarHBondContact OE2-CE2 3.46Å
212D87.7Confident91.3Very high17 Ų1742 Ų429%0.09122%0.216CC..SBendtrans-133.3157.6176.671.990.8000112.4F172 E214 A215 T216 Q217F172-D212 CarbonylContact O-C 3.56Å; F172-D212 VanDerWaalsContact O-C 3.3Å; D212-E214 VanDerWaalsContact C-N 3.26Å; D212-E214 PolarHBondContact O-N 3.1Å; D212-E214 VanDerWaalsContact OD1-C 3.3Å; D212-E214 VanDerWaalsContact OD1-CA 3.3Å; D212-E214 WeakPolarHBondContact OD1-CA 3.33Å; D212-E214 WeakPolarHBondContact OD1-CB 3.38Å; D212-E214 PolarHBondContact OD1-N 3.25Å; D212-A215 PolarHBondContact O-N 2.79Å; D212-A215 PolarHBondContact OD1-N 3.19Å; D212-T216 VanDerWaalsContact CG-OG1 3.23Å; D212-T216 PolarHBondContact OD1-N 2.6Å; D212-T216 VanDerWaalsContact OD1-N 3.1Å; D212-T216 PolarHBondContact OD1-OG1 3.06Å; D212-T216 PolarHBondContact OD2-N 3.11Å; D212-T216 VanDerWaalsContact OD2-N 3.08Å; D212-T216 PolarHBondContact OD2-OG1 3.1Å; D212-Q217 WeakPolarHBondContact OD2-CB 3.47Å; D212-Q217 PolarHBondContact OD2-N 2.65Å
213A84.1Confident91.5Very high26 Ų2644.4 Ų44.422%0.21522%0.221CC..THydrogen-bonded Turntrans-69.1-22.6-177.600000113.7R140 F172 A215R140-A213 VanDerWaalsContact CB-O 3.29Å; R140-A213 WeakPolarHBondContact CB-O 3.32Å; R140-A213 VanDerWaalsContact CG-O 3.3Å; R140-A213 WeakPolarHBondContact CG-O 3.39Å; F172-A213 HydrophobicContact CB-CB 4.34Å; F172-A213 PolarHBondContact O-N 3.43Å; A213-A215 VanDerWaalsContact C-N 3.29Å
214E85.3Confident91.5Very high139 Ų13945.7 Ų45.765%0.6523%0.228SC*.THydrogen-bonded Turntrans-86.9-1-178-60-58.5137.800112.4D212 T216D212-E214 VanDerWaalsContact C-N 3.26Å; D212-E214 PolarHBondContact O-N 3.1Å; D212-E214 VanDerWaalsContact OD1-C 3.3Å; D212-E214 VanDerWaalsContact OD1-CA 3.3Å; D212-E214 WeakPolarHBondContact OD1-CA 3.33Å; D212-E214 WeakPolarHBondContact OD1-CB 3.38Å; D212-E214 PolarHBondContact OD1-N 3.25Å; E214-T216 VanDerWaalsContact C-N 3.33Å; E214-T216 HydrophobicContact CB-CG2 4.08Å; E214-T216 PolarHBondContact O-N 2.97Å
215A85.4Confident91.2Very high6 Ų645.8 Ų45.85%0.0523%0.229CC..SBendtrans58.839-178.400000113.7R140 F210 D212 A213 V218R140-A215 HydrophobicContact CG-CB 4.42Å; F210-A215 HydrophobicContact CD1-CB 3.56Å; F210-A215 HydrophobicContact CE1-CB 3.67Å; D212-A215 PolarHBondContact O-N 2.79Å; D212-A215 PolarHBondContact OD1-N 3.19Å; A213-A215 VanDerWaalsContact C-N 3.29Å; A215-V218 HydrophobicContact CB-CG2 4.16Å; A215-V218 WeakPolarHBondContact O-CG2 3.38Å
216T87Confident90.8Very high103 Ų10348.4 Ų48.463%0.63225%0.246SC*.  trans-86-31.3175.767.30000112.9D212 E214D212-T216 VanDerWaalsContact CG-OG1 3.23Å; D212-T216 PolarHBondContact OD1-N 2.6Å; D212-T216 VanDerWaalsContact OD1-N 3.1Å; D212-T216 PolarHBondContact OD1-OG1 3.06Å; D212-T216 PolarHBondContact OD2-N 3.11Å; D212-T216 VanDerWaalsContact OD2-N 3.08Å; D212-T216 PolarHBondContact OD2-OG1 3.1Å; E214-T216 VanDerWaalsContact C-N 3.33Å; E214-T216 HydrophobicContact CB-CG2 4.08Å; E214-T216 PolarHBondContact O-N 2.97Å
217Q90.7Very high90.2Very high97 Ų9749 Ų4945%0.45325%0.25SC..SBendtrans-113.593.6179-62.2-176.919.200109.3E211 D212 F219E211-Q217 HydrophobicContact CB-CB 4.06Å; E211-Q217 PolarHBondContact N-O 3.26Å; E211-Q217 PolarHBondContact OE2-OE1 3.24Å; D212-Q217 WeakPolarHBondContact OD2-CB 3.47Å; D212-Q217 PolarHBondContact OD2-N 2.65Å; Q217-F219 HydrophobicContact CB-CE2 4.03Å
218V94.9Very high89.9Confident22 Ų2248.8 Ų48.813%0.13325%0.249CC..EExtended strand (participates in β ladder)trans-120125.8-173.7-170.50000110.7V208 S209 F210 A215 P220 F243V208-V218 HydrophobicContact CG1-CG1 3.37Å; S209-V218 CarbonylContact O-C 3.51Å; S209-V218 WeakPolarHBondContact O-CA 3.44Å; F210-V218 HydrophobicContact CD1-CB 4.47Å; F210-V218 HydrophobicContact CD1-CG1 4.15Å; F210-V218 HydrophobicContact CD1-CG2 3.62Å; F210-V218 HydrophobicContact CE1-CB 4.49Å; F210-V218 HydrophobicContact CE1-CG1 3.89Å; F210-V218 HydrophobicContact CE1-CG2 3.73Å; F210-V218 HydrophobicContact CZ-CG1 4.2Å; A215-V218 HydrophobicContact CB-CG2 4.16Å; A215-V218 WeakPolarHBondContact O-CG2 3.38Å; V218-P220 WeakPolarHBondContact O-CD 3.32Å; V218-F243 HydrophobicContact CB-CB 4.09Å; V218-F243 HydrophobicContact CB-CD1 3.69Å; V218-F243 HydrophobicContact CB-CE1 4.35Å; V218-F243 HydrophobicContact CB-CG 3.97Å; V218-F243 HydrophobicContact CG1-CB 3.91Å; V218-F243 HydrophobicContact CG1-CD1 3.71Å; V218-F243 HydrophobicContact CG1-CD2 4.06Å; V218-F243 HydrophobicContact CG1-CE1 4.21Å; V218-F243 HydrophobicContact CG1-CG 3.61Å; V218-F243 HydrophobicContact CG2-CD1 3.81Å; V218-F243 HydrophobicContact CG2-CE1 4.04Å
219F94.1Very high89.5Confident95 Ų9551.9 Ų51.942%0.41726%0.263SS..EExtended strand (participates in β ladder)trans-122.596.4-175-59.3-83.5000110.9S209 E211 Q217S209-F219 PolarHBondContact N-O 2.8Å; S209-F219 PolarHBondContact O-N 2.75Å; E211-F219 HydrophobicContact CG-CD2 3.97Å; E211-F219 HydrophobicContact CG-CE2 3.74Å; E211-F219 WeakPolarHBondContact OE1-CE2 3.31Å; E211-F219 WeakPolarHBondContact OE2-CE2 3.46Å; Q217-F219 HydrophobicContact CB-CE2 4.03Å
220P95.2Very high88.9Confident30 Ų3054.9 Ų54.920%0.19528%0.275CS..EExtended strand (participates in β ladder)trans-80.7140.8173.932.7-34.1000111.6L206 S207 V208 V218 I240 F243 Y252L206-P220 HydrophobicContact CD1-CB 4.49Å; S207-P220 CarbonylContact O-C 3.59Å; S207-P220 WeakPolarHBondContact O-CA 3.09Å; V208-P220 HydrophobicContact CG2-CB 4.39Å; V218-P220 WeakPolarHBondContact O-CD 3.32Å; P220-I240 HydrophobicContact CB-CD1 3.94Å; P220-I240 HydrophobicContact CG-CD1 4.32Å; P220-F243 HydrophobicContact CG-CB 4.36Å; P220-Y252 HydrophobicContact CB-CE1 4.03Å; P220-Y252 VanDerWaalsContact CB-OH 3.25Å; P220-Y252 WeakPolarHBondContact CB-OH 3.03Å; P220-Y252 WeakPolarHBondContact CG-OH 3.47Å
221K93.5Very high88.4Confident114 Ų11456 Ų5650%0.49628%0.284SS..EExtended strand (participates in β ladder)trans-138.1129.8174.4-67-179.2-176.9172.70109.5S207 Y223S207-K221 PolarHBondContact N-O 2.96Å; S207-K221 PolarHBondContact O-N 2.97Å; K221-Y223 HydrophobicContact CB-CE2 3.86Å
222L92.8Very high88.2Confident39 Ų3952.2 Ų52.220%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-102.7126.1176.2-178.369.7000109.6L180 A204 L224 L238 I240L180-L222 HydrophobicContact CD1-CD1 3.73Å; A204-L222 HydrophobicContact CB-CD1 4.42Å; L222-L224 HydrophobicContact CD1-CD2 4.39Å; L222-L224 HydrophobicContact CD2-CD2 4.03Å; L222-L224 HydrophobicContact CG-CD2 4.02Å; L222-L224 HydrophobicContact CG-CG 4.43Å; L222-L238 HydrophobicContact CD2-CD2 3.44Å; L222-L238 VanDerWaalsContact CD2-CD2 3.44Å; L222-L238 HydrophobicContact CD2-CG 4.29Å; L222-I240 HydrophobicContact CB-CD1 4.13Å; L222-I240 HydrophobicContact CB-CG2 3.91Å; L222-I240 HydrophobicContact CD2-CG2 3.64Å; L222-I240 HydrophobicContact CG-CG2 4.39Å
223Y90.5Very high87.7Confident113 Ų11354 Ų5444%0.44329%0.29SS..EExtended strand (participates in β ladder)trans-108.5137.9172.9-58.1-92.6000108.8A204 L205 K221A204-Y223 CarbonylContact C-O 3.49Å; A204-Y223 WeakPolarHBondContact CA-O 3.41Å; L205-Y223 PolarHBondContact N-O 3.26Å; L205-Y223 PolarHBondContact O-N 2.93Å; K221-Y223 HydrophobicContact CB-CE2 3.86Å
224L89Confident87.4Confident32 Ų3253.8 Ų53.817%0.16829%0.29CS..EExtended strand (participates in β ladder)trans-123.9143.3-178.9-61.2178.8000109A204 L222 I228 E229 L232 L238 L260A204-L224 HydrophobicContact CB-CD2 3.74Å; L222-L224 HydrophobicContact CD1-CD2 4.39Å; L222-L224 HydrophobicContact CD2-CD2 4.03Å; L222-L224 HydrophobicContact CG-CD2 4.02Å; L222-L224 HydrophobicContact CG-CG 4.43Å; L224-I228 HydrophobicContact CB-CB 4.35Å; L224-I228 HydrophobicContact CB-CG2 4.29Å; L224-I228 HydrophobicContact CD1-CG2 4.18Å; L224-I228 HydrophobicContact CD2-CG2 3.95Å; L224-I228 HydrophobicContact CG-CG2 4.38Å; L224-E229 HydrophobicContact CB-CB 4.14Å; L224-L232 HydrophobicContact CD1-CD1 4.01Å; L224-L238 HydrophobicContact CD1-CD2 3.79Å; L224-L260 HydrophobicContact CD2-CD1 4.48Å; L224-L260 HydrophobicContact CD2-CD2 4.46Å
225S86.7Confident86.6Confident2 Ų251 Ų511%0.01429%0.286CS..  trans-58.5153.8167.777.70000110.6E201 D202 V203 S227 I228 E229E201-S225 WeakPolarHBondContact O-CB 3.47Å; D202-S225 PolarHBondContact OD1-OG 2.86Å; V203-S225 PolarHBondContact O-N 3.02Å; S225-S227 PolarHBondContact O-N 3Å; S225-S227 VanDerWaalsContact O-N 3.17Å; S225-I228 PolarHBondContact O-N 2.94Å; S225-I228 VanDerWaalsContact O-N 3.1Å; S225-I228 WeakPolarHBondContact OG-CD1 3.38Å; S225-I228 WeakPolarHBondContact OG-CG1 3.49Å; S225-I228 PolarHBondContact OG-N 3.45Å; S225-E229 WeakPolarHBondContact O-CB 3.49Å; S225-E229 PolarHBondContact O-N 2.76Å
226P84Confident86.1Confident58 Ų5855.4 Ų55.438%0.37732%0.316SS..Hα-helixtrans-53.4-38.5-179.8-28.335.6000113.9H230P226-H230 WeakPolarHBondContact O-CB 3.27Å; P226-H230 PolarHBondContact O-N 3.3Å
227S83.6Confident85.6Confident12 Ų1252.5 Ų52.58%0.08430%0.302CS..Hα-helixtrans-64.8-47.3178.2-43.50000111.6D202 S225 H230 A231D202-S227 WeakPolarHBondContact OD1-CB 3.02Å; D202-S227 PolarHBondContact OD1-OG 3.32Å; D202-S227 VanDerWaalsContact OD1-OG 3.04Å; S225-S227 PolarHBondContact O-N 3Å; S225-S227 VanDerWaalsContact O-N 3.17Å; S227-H230 PolarHBondContact O-N 3.17Å; S227-A231 WeakPolarHBondContact O-CB 3.37Å; S227-A231 PolarHBondContact O-N 2.96Å
228I87.8Confident85.2Confident0 Ų048.7 Ų48.70%029%0.285CS..Hα-helixtrans-66.8-44.8179.6-61.9166.1000109.8F184 I187 D202 V203 L224 S225 H230 A231 L232F184-I228 HydrophobicContact CB-CD1 4.21Å; F184-I228 HydrophobicContact CB-CG1 4.36Å; F184-I228 HydrophobicContact CD1-CD1 3.67Å; F184-I228 HydrophobicContact CD1-CG1 3.88Å; F184-I228 HydrophobicContact CD1-CG2 4.26Å; F184-I228 HydrophobicContact CD2-CD1 3.58Å; F184-I228 HydrophobicContact CE1-CD1 3.8Å; F184-I228 HydrophobicContact CE1-CG1 4.26Å; F184-I228 HydrophobicContact CE1-CG2 3.99Å; F184-I228 HydrophobicContact CE2-CD1 3.75Å; F184-I228 HydrophobicContact CG-CD1 3.54Å; F184-I228 HydrophobicContact CG-CG1 4.01Å; F184-I228 HydrophobicContact CZ-CD1 3.85Å; I187-I228 HydrophobicContact CD1-CG1 4.1Å; I187-I228 HydrophobicContact CD1-CG2 4.47Å; D202-I228 HydrophobicContact CB-CD1 4.09Å; D202-I228 HydrophobicContact CB-CG1 4.27Å; V203-I228 WeakPolarHBondContact O-CD1 3.43Å; L224-I228 HydrophobicContact CB-CB 4.35Å; L224-I228 HydrophobicContact CB-CG2 4.29Å; L224-I228 HydrophobicContact CD1-CG2 4.18Å; L224-I228 HydrophobicContact CD2-CG2 3.95Å; L224-I228 HydrophobicContact CG-CG2 4.38Å; S225-I228 PolarHBondContact O-N 2.94Å; S225-I228 VanDerWaalsContact O-N 3.1Å; S225-I228 WeakPolarHBondContact OG-CD1 3.38Å; S225-I228 WeakPolarHBondContact OG-CG1 3.49Å; S225-I228 PolarHBondContact OG-N 3.45Å; I228-H230 VanDerWaalsContact C-N 3.3Å; I228-H230 PolarHBondContact O-N 3.32Å; I228-A231 PolarHBondContact O-N 3.15Å; I228-L232 HydrophobicContact CG2-CD1 3.75Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.35Å; I228-L232 VanDerWaalsContact O-CG 3.32Å; I228-L232 WeakPolarHBondContact O-CG 3.32Å; I228-L232 PolarHBondContact O-N 3.49Å
229E86.8Confident84.9Confident65 Ų6554.9 Ų54.930%0.30431%0.312SS..Hα-helixtrans-56.5-46.4177.4-170.9-177.3179.300110.8L224 S225 L232 G233 G234 S235L224-E229 HydrophobicContact CB-CB 4.14Å; S225-E229 WeakPolarHBondContact O-CB 3.49Å; S225-E229 PolarHBondContact O-N 2.76Å; E229-L232 PolarHBondContact O-N 3.28Å; E229-G233 PolarHBondContact O-N 3.36Å; E229-G234 WeakPolarHBondContact O-CA 3.36Å; E229-G234 PolarHBondContact O-N 3.17Å; E229-S235 WeakPolarHBondContact OE1-CA 3.3Å; E229-S235 WeakPolarHBondContact OE1-CB 3.43Å; E229-S235 PolarHBondContact OE1-N 2.76Å; E229-S235 PolarHBondContact OE1-OG 3.24Å
230H83.2Confident84.8Confident83 Ų8352.1 Ų52.138%0.38430%0.302SS..Hα-helixtrans-61-51.2175.9-169.4133.7000111.3Y190 P226 S227 I228 L232 G233Y190-H230 HydrophobicContact CD2-CB 4.2Å; Y190-H230 AromaticContact CD2-CE1 3.55Å; Y190-H230 AromaticContact CD2-CG 3.74Å; Y190-H230 AromaticContact CD2-ND1 3.03Å; Y190-H230 WeakPolarHBondContact CD2-ND1 3.5Å; Y190-H230 HydrophobicContact CE2-CB 4.48Å; Y190-H230 AromaticContact CE2-CE1 3.44Å; Y190-H230 VanDerWaalsContact CE2-CE1 3.44Å; Y190-H230 WeakPolarHBondContact CE2-CE1 3.36Å; Y190-H230 AromaticContact CE2-CG 3.95Å; Y190-H230 AromaticContact CE2-ND1 2.89Å; Y190-H230 WeakPolarHBondContact CE2-ND1 3.3Å; Y190-H230 HydrophobicContact CG-CB 4.34Å; Y190-H230 AromaticContact CG-ND1 3.97Å; Y190-H230 AromaticContact CZ-ND1 3.7Å; P226-H230 WeakPolarHBondContact O-CB 3.27Å; P226-H230 PolarHBondContact O-N 3.3Å; S227-H230 PolarHBondContact O-N 3.17Å; I228-H230 VanDerWaalsContact C-N 3.3Å; I228-H230 PolarHBondContact O-N 3.32Å; H230-L232 PolarHBondContact O-N 3.35Å; H230-G233 PolarHBondContact O-N 3.14Å
231A84.1Confident84.7Confident24 Ų2452.8 Ų52.820%0.19831%0.306CS..Hα-helixtrans-57.5-36.1-176.100000112.3I187 S227 I228 G233 V267I187-A231 HydrophobicContact CD1-CB 4.43Å; I187-A231 HydrophobicContact CG2-CB 3.36Å; S227-A231 WeakPolarHBondContact O-CB 3.37Å; S227-A231 PolarHBondContact O-N 2.96Å; I228-A231 PolarHBondContact O-N 3.15Å; A231-G233 VanDerWaalsContact C-N 3.33Å; A231-V267 HydrophobicContact CB-CG1 4.4Å
232L85Confident84.7Confident19 Ų1951.5 Ų51.510%0.09932%0.317CS..THydrogen-bonded Turntrans-85.5-0179.1-60.3-175.1000114.3L224 I228 E229 H230 L238 L260 K263 V264 V267L224-L232 HydrophobicContact CD1-CD1 4.01Å; I228-L232 HydrophobicContact CG2-CD1 3.75Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.35Å; I228-L232 VanDerWaalsContact O-CG 3.32Å; I228-L232 WeakPolarHBondContact O-CG 3.32Å; I228-L232 PolarHBondContact O-N 3.49Å; E229-L232 PolarHBondContact O-N 3.28Å; H230-L232 PolarHBondContact O-N 3.35Å; L232-L238 HydrophobicContact CD1-CD2 4.1Å; L232-L260 HydrophobicContact CD1-CD1 3.54Å; L232-K263 HydrophobicContact CD2-CB 4.11Å; L232-V264 HydrophobicContact CD2-CG2 4.39Å; L232-V267 HydrophobicContact CD2-CG2 4.01Å
233G78.6Confident84.7Confident55 Ų5551 Ų5157%0.56731%0.313SS*.THydrogen-bonded Turntrans92.721.3174.100000115.3E229 H230 A231E229-G233 PolarHBondContact O-N 3.36Å; H230-G233 PolarHBondContact O-N 3.14Å; A231-G233 VanDerWaalsContact C-N 3.33Å
234G77.6Confident84.8Confident21 Ų2148.4 Ų48.422%0.21631%0.31CS..  trans94.8157.9-178.100000113.1E229 S236 A237E229-G234 WeakPolarHBondContact O-CA 3.36Å; E229-G234 PolarHBondContact O-N 3.17Å; G234-S236 PolarHBondContact O-N 2.96Å; G234-S236 VanDerWaalsContact O-N 3.15Å; G234-A237 WeakPolarHBondContact O-CB 3.28Å; G234-A237 PolarHBondContact O-N 3.12Å
235S68Low84.7Confident81 Ų8153 Ų5357%0.56635%0.345SS*.G310 helixtrans-55.9-28.4177.338.70000114.1E229 A237E229-S235 WeakPolarHBondContact OE1-CA 3.3Å; E229-S235 WeakPolarHBondContact OE1-CB 3.43Å; E229-S235 PolarHBondContact OE1-N 2.76Å; E229-S235 PolarHBondContact OE1-OG 3.24Å; S235-A237 VanDerWaalsContact C-N 3.31Å; S235-A237 PolarHBondContact O-N 3.13Å
236S74.4Confident84.7Confident99 Ų9956.3 Ų56.369%0.69238%0.379SS*.G310 helixtrans-77-12.2177.655.40000114.6G234G234-S236 PolarHBondContact O-N 2.96Å; G234-S236 VanDerWaalsContact O-N 3.15Å
237A76.9Confident85.1Confident41 Ų4154.3 Ų54.334%0.33937%0.369SS..G310 helixtrans-90.5-6.6179.300000113.2G234 S235 K263G234-A237 WeakPolarHBondContact O-CB 3.28Å; G234-A237 PolarHBondContact O-N 3.12Å; S235-A237 VanDerWaalsContact C-N 3.31Å; S235-A237 PolarHBondContact O-N 3.13Å; A237-K263 PolarHBondContact O-NZ 3.26Å
238L82.9Confident85.6Confident18 Ų1854.6 Ų54.69%0.09437%0.371CS..  trans-121.8109.9-177.3-176.264.7000111.1L222 L224 L232 L259 L260 K263L222-L238 HydrophobicContact CD2-CD2 3.44Å; L222-L238 VanDerWaalsContact CD2-CD2 3.44Å; L222-L238 HydrophobicContact CD2-CG 4.29Å; L224-L238 HydrophobicContact CD1-CD2 3.79Å; L232-L238 HydrophobicContact CD1-CD2 4.1Å; L238-L259 HydrophobicContact CD1-CD2 3.51Å; L238-L260 HydrophobicContact CD2-CD1 4.16Å; L238-K263 HydrophobicContact CD1-CD 3.36Å
239H87.3Confident85.9Confident151 Ų15154.6 Ų54.670%0.69937%0.371SS*.  trans-105.3130.2167-61.6-64.7000109.3
240I93Very high86.3Confident38 Ų3853.8 Ų53.820%0.19537%0.368CS..PPolyproline II helixtrans-87.9153.317061.2176.7000109.5L206 P220 L222 V256L206-I240 HydrophobicContact CD1-CD1 4.19Å; P220-I240 HydrophobicContact CB-CD1 3.94Å; P220-I240 HydrophobicContact CG-CD1 4.32Å; L222-I240 HydrophobicContact CB-CD1 4.13Å; L222-I240 HydrophobicContact CB-CG2 3.91Å; L222-I240 HydrophobicContact CD2-CG2 3.64Å; L222-I240 HydrophobicContact CG-CG2 4.39Å; I240-V256 HydrophobicContact CG2-CG1 4.14Å
241P93.6Very high86.9Confident44 Ų4454.8 Ų54.829%0.28638%0.376SS..PPolyproline II helixtrans-58.6149.1173.324.6-34.2000111.2Y252 V256P241-Y252 HydrophobicContact CB-CE2 4.47Å; P241-Y252 HydrophobicContact CG-CE2 3.99Å; P241-Y252 PolarHBondContact O-OH 2.85Å; P241-V256 HydrophobicContact CG-CG2 4.32Å
242A92.6Very high87.4Confident87 Ų8753.7 Ų53.772%0.71937%0.367SS*.PPolyproline II helixtrans-66.9151.5168.800000110.1
243F94.2Very high88Confident27 Ų2752.8 Ų52.812%0.11836%0.362CS..PPolyproline II helixtrans-68.2126.7175-167.5-95.6000109.8V218 P220 G247 L249 Y252V218-F243 HydrophobicContact CB-CB 4.09Å; V218-F243 HydrophobicContact CB-CD1 3.69Å; V218-F243 HydrophobicContact CB-CE1 4.35Å; V218-F243 HydrophobicContact CB-CG 3.97Å; V218-F243 HydrophobicContact CG1-CB 3.91Å; V218-F243 HydrophobicContact CG1-CD1 3.71Å; V218-F243 HydrophobicContact CG1-CD2 4.06Å; V218-F243 HydrophobicContact CG1-CE1 4.21Å; V218-F243 HydrophobicContact CG1-CG 3.61Å; V218-F243 HydrophobicContact CG2-CD1 3.81Å; V218-F243 HydrophobicContact CG2-CE1 4.04Å; P220-F243 HydrophobicContact CG-CB 4.36Å; F243-G247 WeakPolarHBondContact CE1-O 3.49Å; F243-G247 WeakPolarHBondContact CZ-O 3.38Å; F243-L249 HydrophobicContact CE2-CD2 3.94Å; F243-Y252 AromaticContact CD2-CD1 3.84Å; F243-Y252 HydrophobicContact CD2-CD1 3.84Å; F243-Y252 AromaticContact CD2-CD2 3.89Å; F243-Y252 HydrophobicContact CD2-CD2 3.89Å; F243-Y252 HydrophobicContact CD2-CE1 4.27Å; F243-Y252 HydrophobicContact CD2-CE2 4.32Å; F243-Y252 AromaticContact CD2-CG 3.64Å; F243-Y252 HydrophobicContact CD2-CG 3.64Å; F243-Y252 HydrophobicContact CE2-CD1 4.17Å; F243-Y252 AromaticContact CE2-CG 3.91Å; F243-Y252 HydrophobicContact CE2-CG 3.91Å
244P91.1Very high88.7Confident59 Ų5952.9 Ų52.938%0.38335%0.353SS..PPolyproline II helixtrans-70.1143.3-17722.5-25.7000111.5G246 G247P244-G246 PolarHBondContact O-N 3.28Å; P244-G247 PolarHBondContact O-N 2.94Å
245S88.1Confident89.6Confident129 Ų12956.3 Ų56.390%0.90236%0.363SS*.THydrogen-bonded Turntrans-62.9126.9176.7-171.70000110.3G247S245-G247 PolarHBondContact O-N 2.98Å
246G86.3Confident90.9Very high72 Ų7252.5 Ų52.574%0.74234%0.337SS*.THydrogen-bonded Turntrans69.69.6-173.800000114.5P244P244-G246 PolarHBondContact O-N 3.28Å
247G91.3Very high91.9Very high15 Ų1548.4 Ų48.416%0.15531%0.308CS..  trans-73.9173.6176.600000113.7R140 F243 P244 S245R140-G247 PolarHBondContact NH2-O 2.96Å; F243-G247 WeakPolarHBondContact CE1-O 3.49Å; F243-G247 WeakPolarHBondContact CZ-O 3.38Å; P244-G247 PolarHBondContact O-N 2.94Å; S245-G247 PolarHBondContact O-N 2.98Å
248C94.3Very high92.8Very high19 Ų1952.3 Ų52.313%0.12832%0.319CS..  trans-127.5157.3175.159.10000112.1F143 E144 I250 D251 Y252F143-C248 HydrophobicContact CE1-CB 4.29Å; E144-C248 WeakPolarHBondContact OE1-CA 3.38Å; E144-C248 WeakPolarHBondContact OE1-CB 3.48Å; C248-I250 VanDerWaalsContact C-N 3.33Å; C248-I250 HydrophobicContact CB-CG2 4.26Å; C248-I250 VanDerWaalsContact SG-CG2 3.53Å; C248-D251 PolarHBondContact O-N 2.98Å; C248-D251 PolarHBondContact SG-OD2 2.92Å; C248-D251 VanDerWaalsContact SG-OD2 3.32Å; C248-Y252 VanDerWaalsContact O-CB 3.29Å; C248-Y252 WeakPolarHBondContact O-CB 2.89Å; C248-Y252 PolarHBondContact O-N 3.18Å
249L95.4Very high93.3Very high0 Ų053.8 Ų53.80%033%0.327CS..Hα-helixtrans-64.8-37.3178.7-67.9179.9000111.6E144 L148 F176 V208 F210 F243 D251 Y252 V253E144-L249 HydrophobicContact CB-CD1 4Å; E144-L249 HydrophobicContact CB-CG 4.4Å; E144-L249 HydrophobicContact CG-CD1 4.47Å; E144-L249 HydrophobicContact CG-CG 4.46Å; E144-L249 VanDerWaalsContact OE2-CB 3.24Å; E144-L249 WeakPolarHBondContact OE2-CB 3.43Å; E144-L249 WeakPolarHBondContact OE2-CG 3.24Å; E144-L249 PolarHBondContact OE2-N 3.44Å; L148-L249 HydrophobicContact CD1-CB 3.79Å; L148-L249 HydrophobicContact CD1-CD1 3.57Å; L148-L249 HydrophobicContact CD1-CG 4.32Å; L148-L249 HydrophobicContact CD2-CB 4.08Å; L148-L249 HydrophobicContact CG-CB 4Å; F176-L249 HydrophobicContact CB-CD1 4.2Å; F176-L249 HydrophobicContact CD1-CD1 3.81Å; F176-L249 HydrophobicContact CD2-CD1 4.23Å; F176-L249 HydrophobicContact CE1-CD1 4.22Å; F176-L249 HydrophobicContact CG-CD1 3.82Å; V208-L249 HydrophobicContact CB-CD2 4.04Å; V208-L249 HydrophobicContact CG1-CD2 3.95Å; V208-L249 HydrophobicContact CG2-CD2 3.81Å; F210-L249 HydrophobicContact CE2-CD1 4.15Å; F210-L249 HydrophobicContact CZ-CD1 4.08Å; F210-L249 HydrophobicContact CZ-CD2 4.12Å; F210-L249 HydrophobicContact CZ-CG 4.07Å; F243-L249 HydrophobicContact CE2-CD2 3.94Å; L249-D251 PolarHBondContact O-N 3.44Å; L249-Y252 PolarHBondContact O-N 2.87Å; L249-Y252 VanDerWaalsContact O-N 3.16Å; L249-V253 HydrophobicContact CB-CG2 4.34Å; L249-V253 WeakPolarHBondContact O-CB 3.39Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.38Å; L249-V253 PolarHBondContact O-N 2.98Å
250I94.8Very high93.6Very high48 Ų4846.7 Ų46.725%0.24629%0.294CS..Hα-helixtrans-62.1-28.3-179.1-168.259.4000112.7S147 L148 C248 P254S147-I250 WeakPolarHBondContact O-CD1 3.36Å; L148-I250 HydrophobicContact CD2-CD1 4.48Å; C248-I250 VanDerWaalsContact C-N 3.33Å; C248-I250 HydrophobicContact CB-CG2 4.26Å; C248-I250 VanDerWaalsContact SG-CG2 3.53Å; I250-P254 WeakPolarHBondContact O-CD 3.27Å; I250-P254 WeakPolarHBondContact O-CG 3.06Å
251D94.6Very high93.7Very high104 Ų10447.3 Ų47.356%0.55630%0.3SS*.Hα-helixtrans-90-33.9172.7-71.3-25.7000112.6C248 L249 Q255C248-D251 PolarHBondContact O-N 2.98Å; C248-D251 PolarHBondContact SG-OD2 2.92Å; C248-D251 VanDerWaalsContact SG-OD2 3.32Å; L249-D251 PolarHBondContact O-N 3.44Å; D251-Q255 WeakPolarHBondContact O-CG 3.39Å; D251-Q255 PolarHBondContact O-NE2 3.31Å
252Y96.4Very high93.7Very high1 Ų149.9 Ų49.90%0.00431%0.311CS..Hα-helixtrans-75.5-43.9-175.6176.4-101.8000113L206 P220 P241 F243 C248 L249 Q255 V256L206-Y252 HydrophobicContact CD1-CE1 4.46Å; L206-Y252 HydrophobicContact CD2-CD1 4.41Å; L206-Y252 HydrophobicContact CD2-CE1 4.04Å; P220-Y252 HydrophobicContact CB-CE1 4.03Å; P220-Y252 VanDerWaalsContact CB-OH 3.25Å; P220-Y252 WeakPolarHBondContact CB-OH 3.03Å; P220-Y252 WeakPolarHBondContact CG-OH 3.47Å; P241-Y252 HydrophobicContact CB-CE2 4.47Å; P241-Y252 HydrophobicContact CG-CE2 3.99Å; P241-Y252 PolarHBondContact O-OH 2.85Å; F243-Y252 AromaticContact CD2-CD1 3.84Å; F243-Y252 HydrophobicContact CD2-CD1 3.84Å; F243-Y252 AromaticContact CD2-CD2 3.89Å; F243-Y252 HydrophobicContact CD2-CD2 3.89Å; F243-Y252 HydrophobicContact CD2-CE1 4.27Å; F243-Y252 HydrophobicContact CD2-CE2 4.32Å; F243-Y252 AromaticContact CD2-CG 3.64Å; F243-Y252 HydrophobicContact CD2-CG 3.64Å; F243-Y252 HydrophobicContact CE2-CD1 4.17Å; F243-Y252 AromaticContact CE2-CG 3.91Å; F243-Y252 HydrophobicContact CE2-CG 3.91Å; C248-Y252 VanDerWaalsContact O-CB 3.29Å; C248-Y252 WeakPolarHBondContact O-CB 2.89Å; C248-Y252 PolarHBondContact O-N 3.18Å; L249-Y252 PolarHBondContact O-N 2.87Å; L249-Y252 VanDerWaalsContact O-N 3.16Å; Y252-Q255 WeakPolarHBondContact O-CB 3.29Å; Y252-Q255 PolarHBondContact O-N 3.04Å; Y252-Q255 VanDerWaalsContact O-N 3.16Å; Y252-V256 HydrophobicContact CD1-CG2 4.24Å; Y252-V256 HydrophobicContact CE1-CG2 3.7Å; Y252-V256 HydrophobicContact CE2-CG2 4.12Å; Y252-V256 PolarHBondContact O-N 2.98Å
253V95.8Very high93.6Very high0 Ų048.4 Ų48.40%029%0.288CS..Hα-helixtrans-60.2-46.2-177.31770000111.6L148 Y154 L178 L180 L206 L249 Q255 V256 C257L148-V253 HydrophobicContact CD2-CG2 4.17Å; Y154-V253 HydrophobicContact CE1-CG1 3.73Å; Y154-V253 WeakPolarHBondContact OH-CG1 3.47Å; L178-V253 HydrophobicContact CD2-CG1 4.44Å; L178-V253 HydrophobicContact CD2-CG2 4.16Å; L180-V253 HydrophobicContact CD2-CG1 3.91Å; L206-V253 HydrophobicContact CD2-CG2 4.01Å; L249-V253 HydrophobicContact CB-CG2 4.34Å; L249-V253 WeakPolarHBondContact O-CB 3.39Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.38Å; L249-V253 PolarHBondContact O-N 2.98Å; V253-Q255 VanDerWaalsContact C-N 3.27Å; V253-Q255 PolarHBondContact O-N 2.67Å; V253-V256 PolarHBondContact O-N 2.92Å; V253-V256 VanDerWaalsContact O-N 3.14Å; V253-C257 PolarHBondContact O-N 3.04Å; V253-C257 PolarHBondContact O-SG 3.06Å
254P94.6Very high93.5Very high56 Ų5647.1 Ų47.136%0.36428%0.283SS..Hα-helixtrans-58.3-35.5175.4-27.937.1000114I250 C257 Q258I250-P254 WeakPolarHBondContact O-CD 3.27Å; I250-P254 WeakPolarHBondContact O-CG 3.06Å; P254-C257 PolarHBondContact O-N 2.97Å; P254-Q258 WeakPolarHBondContact O-CB 3.29Å; P254-Q258 PolarHBondContact O-N 3.42Å
255Q95.5Very high93.5Very high94 Ų9449 Ų4944%0.43929%0.286SS..Hα-helixtrans-65.1-42.5176.8-66.4172.957.200111.5D251 Y252 V253 Q258 L259D251-Q255 WeakPolarHBondContact O-CG 3.39Å; D251-Q255 PolarHBondContact O-NE2 3.31Å; Y252-Q255 WeakPolarHBondContact O-CB 3.29Å; Y252-Q255 PolarHBondContact O-N 3.04Å; Y252-Q255 VanDerWaalsContact O-N 3.16Å; V253-Q255 VanDerWaalsContact C-N 3.27Å; V253-Q255 PolarHBondContact O-N 2.67Å; Q255-Q258 PolarHBondContact O-N 2.92Å; Q255-L259 WeakPolarHBondContact O-CB 3.41Å; Q255-L259 PolarHBondContact O-N 2.86Å
256V95.7Very high93.6Very high1 Ų149.3 Ų49.31%0.00627%0.269CS..Hα-helixtrans-65.5-43.7175.6-179.70000110.6L180 L206 I240 P241 Y252 V253 Q258 L259 L260L180-V256 HydrophobicContact CD1-CG1 3.97Å; L206-V256 HydrophobicContact CD2-CB 4.42Å; L206-V256 HydrophobicContact CD2-CG1 4.44Å; L206-V256 HydrophobicContact CD2-CG2 4.33Å; I240-V256 HydrophobicContact CG2-CG1 4.14Å; P241-V256 HydrophobicContact CG-CG2 4.32Å; Y252-V256 HydrophobicContact CD1-CG2 4.24Å; Y252-V256 HydrophobicContact CE1-CG2 3.7Å; Y252-V256 HydrophobicContact CE2-CG2 4.12Å; Y252-V256 PolarHBondContact O-N 2.98Å; V253-V256 PolarHBondContact O-N 2.92Å; V253-V256 VanDerWaalsContact O-N 3.14Å; V256-Q258 PolarHBondContact O-N 3.1Å; V256-L259 PolarHBondContact O-N 3.39Å; V256-L260 WeakPolarHBondContact O-CB 3.35Å; V256-L260 PolarHBondContact O-N 3.26Å
257C95.5Very high93.7Very high13 Ų1347.3 Ų47.39%0.08824%0.242CC..Hα-helixtrans-56.7-50174.4-72.70000111.3V182 V253 P254 L259 L260 T261V182-C257 HydrophobicContact CG2-CB 4.32Å; V253-C257 PolarHBondContact O-N 3.04Å; V253-C257 PolarHBondContact O-SG 3.06Å; P254-C257 PolarHBondContact O-N 2.97Å; C257-L259 PolarHBondContact O-N 3.39Å; C257-L260 PolarHBondContact O-N 3.31Å; C257-L260 VanDerWaalsContact O-N 3.17Å; C257-T261 WeakPolarHBondContact O-CB 3.44Å; C257-T261 PolarHBondContact O-N 2.75Å; C257-T261 PolarHBondContact O-OG1 3.2Å
258Q95.2Very high93.6Very high123 Ų12347.2 Ų47.258%0.57524%0.238SC*.Hα-helixtrans-61.2-42.9-180-172.2-179.412.700112.2P254 Q255 V256 L260 T261 N262P254-Q258 WeakPolarHBondContact O-CB 3.29Å; P254-Q258 PolarHBondContact O-N 3.42Å; Q255-Q258 PolarHBondContact O-N 2.92Å; V256-Q258 PolarHBondContact O-N 3.1Å; Q258-L260 VanDerWaalsContact C-N 3.31Å; Q258-L260 PolarHBondContact O-N 3.46Å; Q258-T261 PolarHBondContact O-N 2.98Å; Q258-N262 WeakPolarHBondContact O-CB 3.48Å; Q258-N262 PolarHBondContact O-N 3.08Å; Q258-N262 PolarHBondContact O-ND2 3.09Å
259L94.5Very high93.4Very high49 Ų4951.3 Ų51.326%0.25726%0.255SS..Hα-helixtrans-58.5-46.3175.5-176.2158.6000110.9L238 Q255 V256 C257 K263L238-L259 HydrophobicContact CD1-CD2 3.51Å; Q255-L259 WeakPolarHBondContact O-CB 3.41Å; Q255-L259 PolarHBondContact O-N 2.86Å; V256-L259 PolarHBondContact O-N 3.39Å; C257-L259 PolarHBondContact O-N 3.39Å; L259-K263 HydrophobicContact CD2-CD 4.12Å; L259-K263 PolarHBondContact O-N 3Å; L259-K263 VanDerWaalsContact O-N 3.16Å
260L93.8Very high93.1Very high1 Ų152.4 Ų52.41%0.00527%0.267CS..Hα-helixtrans-67.1-47.2-179.3-169.755.4000111.4L180 V182 F184 A204 L224 L232 L238 V256 C257 Q258 N262 K263 V264L180-L260 HydrophobicContact CD1-CD2 4.18Å; V182-L260 HydrophobicContact CB-CD2 4.44Å; V182-L260 HydrophobicContact CG1-CG 4.26Å; V182-L260 HydrophobicContact CG2-CB 4.3Å; V182-L260 HydrophobicContact CG2-CD2 4.16Å; V182-L260 HydrophobicContact CG2-CG 4.38Å; F184-L260 HydrophobicContact CE1-CD1 4.48Å; F184-L260 HydrophobicContact CE1-CD2 4.04Å; F184-L260 HydrophobicContact CE1-CG 4.08Å; F184-L260 HydrophobicContact CZ-CD2 3.63Å; F184-L260 HydrophobicContact CZ-CG 4.16Å; A204-L260 HydrophobicContact CB-CD2 3.57Å; L224-L260 HydrophobicContact CD2-CD1 4.48Å; L224-L260 HydrophobicContact CD2-CD2 4.46Å; L232-L260 HydrophobicContact CD1-CD1 3.54Å; L238-L260 HydrophobicContact CD2-CD1 4.16Å; V256-L260 WeakPolarHBondContact O-CB 3.35Å; V256-L260 PolarHBondContact O-N 3.26Å; C257-L260 PolarHBondContact O-N 3.31Å; C257-L260 VanDerWaalsContact O-N 3.17Å; Q258-L260 VanDerWaalsContact C-N 3.31Å; Q258-L260 PolarHBondContact O-N 3.46Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.16Å; L260-K263 PolarHBondContact O-N 3.31Å; L260-K263 VanDerWaalsContact O-N 3.14Å; L260-V264 HydrophobicContact CD1-CG2 4.41Å; L260-V264 HydrophobicContact CG-CG2 4.44Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.24Å; L260-V264 PolarHBondContact O-N 3.14Å
261T94.8Very high92.8Very high52 Ų5251.7 Ų51.732%0.31926%0.261SS..Hα-helixtrans-54.8-47.4175.2-600000111.4C257 Q258 K263 V264 Q265C257-T261 WeakPolarHBondContact O-CB 3.44Å; C257-T261 PolarHBondContact O-N 2.75Å; C257-T261 PolarHBondContact O-OG1 3.2Å; Q258-T261 PolarHBondContact O-N 2.98Å; T261-K263 VanDerWaalsContact C-N 3.32Å; T261-K263 PolarHBondContact O-N 3.08Å; T261-V264 PolarHBondContact O-N 3.09Å; T261-Q265 HydrophobicContact CG2-CG 4.29Å; T261-Q265 WeakPolarHBondContact O-CB 3.37Å; T261-Q265 VanDerWaalsContact O-CG 3.27Å; T261-Q265 WeakPolarHBondContact O-CG 3.42Å; T261-Q265 PolarHBondContact O-N 3.12Å
262N93.3Very high92.6Very high98 Ų9850.1 Ų50.152%0.52425%0.25SS..Hα-helixtrans-60-42.4178.9-73.6-20.5000112.1Q258 L260 Y266Q258-N262 WeakPolarHBondContact O-CB 3.48Å; Q258-N262 PolarHBondContact O-N 3.08Å; Q258-N262 PolarHBondContact O-ND2 3.09Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.16Å; N262-Y266 WeakPolarHBondContact O-CB 3.33Å; N262-Y266 PolarHBondContact O-N 3.31Å
263K90.6Very high92.3Very high55 Ų5555.1 Ų55.124%0.23927%0.272CS..Hα-helixtrans-67.8-42.6177.3-79.4-171.1169-161.70112.6L232 A237 L238 L259 L260 T261 Y266 V267L232-K263 HydrophobicContact CD2-CB 4.11Å; A237-K263 PolarHBondContact O-NZ 3.26Å; L238-K263 HydrophobicContact CD1-CD 3.36Å; L259-K263 HydrophobicContact CD2-CD 4.12Å; L259-K263 PolarHBondContact O-N 3Å; L259-K263 VanDerWaalsContact O-N 3.16Å; L260-K263 PolarHBondContact O-N 3.31Å; L260-K263 VanDerWaalsContact O-N 3.14Å; T261-K263 VanDerWaalsContact C-N 3.32Å; T261-K263 PolarHBondContact O-N 3.08Å; K263-Y266 PolarHBondContact O-N 3.15Å; K263-V267 WeakPolarHBondContact O-CG2 3.42Å; K263-V267 PolarHBondContact O-N 3.27Å
264V91.4Very high92Very high1 Ų157 Ų571%0.00628%0.279CS..Hα-helixtrans-60.2-48.4176.4170.70000110.3V182 F184 I187 L232 L260 T261 Y266 V267 I268V182-V264 HydrophobicContact CG1-CG2 4.4Å; F184-V264 HydrophobicContact CD1-CG1 4.49Å; F184-V264 HydrophobicContact CD1-CG2 3.8Å; F184-V264 HydrophobicContact CE1-CG2 3.65Å; I187-V264 HydrophobicContact CD1-CG1 4.11Å; I187-V264 HydrophobicContact CD1-CG2 4.22Å; I187-V264 HydrophobicContact CG1-CG1 4.05Å; L232-V264 HydrophobicContact CD2-CG2 4.39Å; L260-V264 HydrophobicContact CD1-CG2 4.41Å; L260-V264 HydrophobicContact CG-CG2 4.44Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.24Å; L260-V264 PolarHBondContact O-N 3.14Å; T261-V264 PolarHBondContact O-N 3.09Å; V264-Y266 VanDerWaalsContact C-N 3.32Å; V264-Y266 PolarHBondContact O-N 3.43Å; V264-V267 PolarHBondContact O-N 3.26Å; V264-V267 VanDerWaalsContact O-N 3.16Å; V264-I268 HydrophobicContact CG1-CD1 3.52Å; V264-I268 HydrophobicContact CG1-CG1 4.33Å; V264-I268 VanDerWaalsContact O-CG1 3.29Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 3.28Å
265Q91.1Very high91.9Very high97 Ų9759.7 Ų59.745%0.45328%0.282SS..Hα-helixtrans-61.1-40177.7-69.4-58-35.900112.4T261 V267 I268 Q269T261-Q265 HydrophobicContact CG2-CG 4.29Å; T261-Q265 WeakPolarHBondContact O-CB 3.37Å; T261-Q265 VanDerWaalsContact O-CG 3.27Å; T261-Q265 WeakPolarHBondContact O-CG 3.42Å; T261-Q265 PolarHBondContact O-N 3.12Å; Q265-V267 PolarHBondContact O-N 3.46Å; Q265-I268 PolarHBondContact O-N 3.5Å; Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.39Å
266Y89.8Confident91.8Very high136 Ų13662 Ų6253%0.53329%0.293SS..Hα-helixtrans-61.1-43.8175-177.4-98.9000112.3N262 K263 V264 G270N262-Y266 WeakPolarHBondContact O-CB 3.33Å; N262-Y266 PolarHBondContact O-N 3.31Å; K263-Y266 PolarHBondContact O-N 3.15Å; V264-Y266 VanDerWaalsContact C-N 3.32Å; V264-Y266 PolarHBondContact O-N 3.43Å; Y266-G270 PolarHBondContact O-N 3.09Å
267V88.6Confident91.6Very high31 Ų3167.3 Ų67.319%0.18831%0.313CS..Hα-helixtrans-64.5-46.5177.4170.30000111.3A231 L232 K263 V264 Q265 G270 Y271A231-V267 HydrophobicContact CB-CG1 4.4Å; L232-V267 HydrophobicContact CD2-CG2 4.01Å; K263-V267 WeakPolarHBondContact O-CG2 3.42Å; K263-V267 PolarHBondContact O-N 3.27Å; V264-V267 PolarHBondContact O-N 3.26Å; V264-V267 VanDerWaalsContact O-N 3.16Å; Q265-V267 PolarHBondContact O-N 3.46Å; V267-G270 PolarHBondContact O-N 3.06Å; V267-Y271 WeakPolarHBondContact O-CB 3.23Å; V267-Y271 PolarHBondContact O-N 3.34Å
268I89.4Confident91.4Very high12 Ų1267 Ų676%0.06231%0.311CS..Hα-helixtrans-60.8-47.1178.6-68.9166.7000110.6N186 V264 Q265 G270 Y271 H272N186-I268 HydrophobicContact CB-CD1 3.82Å; N186-I268 HydrophobicContact CB-CG1 4.32Å; N186-I268 HydrophobicContact CB-CG2 4.41Å; V264-I268 HydrophobicContact CG1-CD1 3.52Å; V264-I268 HydrophobicContact CG1-CG1 4.33Å; V264-I268 VanDerWaalsContact O-CG1 3.29Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 3.28Å; Q265-I268 PolarHBondContact O-N 3.5Å; I268-G270 VanDerWaalsContact C-N 3.35Å; I268-G270 PolarHBondContact O-N 3.38Å; I268-Y271 WeakPolarHBondContact O-CB 3.5Å; I268-Y271 PolarHBondContact O-N 3.19Å; I268-H272 VanDerWaalsContact CG2-CD2 3.49Å; I268-H272 WeakPolarHBondContact CG2-CD2 3.44Å; I268-H272 PolarHBondContact O-CD2 2.83Å; I268-H272 PolarHBondContact O-N 3.36Å
269Q90.3Very high91.4Very high105 Ų10563.5 Ų63.549%0.49130%0.303SS..Hα-helixtrans-61.9-44.4178.1-169.6-17231.800111.5Q265 Y271 H272 K273Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.39Å; Q269-Y271 VanDerWaalsContact C-N 3.29Å; Q269-Y271 PolarHBondContact O-N 3.18Å; Q269-H272 PolarHBondContact O-N 3.1Å; Q269-K273 WeakPolarHBondContact O-CG 3.39Å; Q269-K273 PolarHBondContact O-N 3.44Å
270G88.6Confident91.3Very high24 Ų2463.3 Ų63.325%0.24731%0.309CS..Hα-helixtrans-60.3-40.8175.600000112Y266 V267 I268 R274Y266-G270 PolarHBondContact O-N 3.09Å; V267-G270 PolarHBondContact O-N 3.06Å; I268-G270 VanDerWaalsContact C-N 3.35Å; I268-G270 PolarHBondContact O-N 3.38Å; G270-R274 WeakPolarHBondContact O-CG 3.43Å; G270-R274 PolarHBondContact O-N 3.43Å; G270-R274 VanDerWaalsContact O-N 3.1Å; G270-R274 PolarHBondContact O-NH1 3.43Å
271Y88.9Confident91.3Very high33 Ų3366 Ų6613%0.12932%0.32CS..Hα-helixtrans-62.5-51.1176173.5-101.1000112.6P188 V267 I268 Q269 K273 R274 R275 E295 F297P188-Y271 HydrophobicContact CB-CD2 3.71Å; P188-Y271 HydrophobicContact CB-CE2 3.67Å; P188-Y271 HydrophobicContact CB-CG 4.28Å; P188-Y271 HydrophobicContact CG-CD1 4.17Å; P188-Y271 HydrophobicContact CG-CD2 3.38Å; P188-Y271 HydrophobicContact CG-CE2 3.86Å; P188-Y271 HydrophobicContact CG-CG 3.53Å; V267-Y271 WeakPolarHBondContact O-CB 3.23Å; V267-Y271 PolarHBondContact O-N 3.34Å; I268-Y271 WeakPolarHBondContact O-CB 3.5Å; I268-Y271 PolarHBondContact O-N 3.19Å; Q269-Y271 VanDerWaalsContact C-N 3.29Å; Q269-Y271 PolarHBondContact O-N 3.18Å; Y271-K273 VanDerWaalsContact C-N 3.33Å; Y271-K273 PolarHBondContact O-N 3.27Å; Y271-R274 WeakPolarHBondContact O-CB 3.02Å; Y271-R274 PolarHBondContact O-N 3.21Å; Y271-R274 VanDerWaalsContact O-N 3.09Å; Y271-R275 PolarHBondContact O-N 3.42Å; Y271-E295 VanDerWaalsContact CE2-O 3.23Å; Y271-E295 WeakPolarHBondContact CE2-O 3.35Å; Y271-F297 HydrophobicContact CD2-CD2 4.18Å; Y271-F297 AromaticContact CE2-CD2 3.63Å; Y271-F297 HydrophobicContact CE2-CD2 3.63Å; Y271-F297 AromaticContact CE2-CE2 3.72Å; Y271-F297 HydrophobicContact CE2-CE2 3.72Å; Y271-F297 AromaticContact CZ-CE2 3.65Å; Y271-F297 WeakPolarHBondContact OH-CE2 3.45Å
272H89.9Confident91.2Very high71 Ų7165.8 Ų65.833%0.32932%0.317SS..Hα-helixtrans-59.9-42.8178.8-76-63.2000112.3I268 Q269 R274 R275 E276I268-H272 VanDerWaalsContact CG2-CD2 3.49Å; I268-H272 WeakPolarHBondContact CG2-CD2 3.44Å; I268-H272 PolarHBondContact O-CD2 2.83Å; I268-H272 PolarHBondContact O-N 3.36Å; Q269-H272 PolarHBondContact O-N 3.1Å; H272-R274 VanDerWaalsContact C-N 3.29Å; H272-R274 PolarHBondContact O-N 2.89Å; H272-R275 PolarHBondContact ND1-NH2 3.19Å; H272-R275 PolarHBondContact O-N 3.5Å; H272-E276 WeakPolarHBondContact O-CB 3.32Å; H272-E276 PolarHBondContact O-N 3.48Å
273K91Very high91.3Very high105 Ų10565.9 Ų65.946%0.45733%0.326SS..Hα-helixtrans-63-34175.9-73.9-178.2179.9176.50112.9Q269 Y271 Y277 R317Q269-K273 WeakPolarHBondContact O-CG 3.39Å; Q269-K273 PolarHBondContact O-N 3.44Å; Y271-K273 VanDerWaalsContact C-N 3.33Å; Y271-K273 PolarHBondContact O-N 3.27Å; K273-Y277 VanDerWaalsContact O-CB 3.32Å; K273-Y277 WeakPolarHBondContact O-CB 3.38Å; K273-Y277 PolarHBondContact O-N 3.5Å; K273-R317 PolarHBondContact O-NH1 3.16Å
274R90.4Very high91.4Very high41 Ų4170.2 Ų70.216%0.15535%0.346CS..Hα-helixtrans-70.7-45.5174.1-73.9-168.7-49-85.44.6111.1G270 Y271 H272 E276 Y277 I278 G296 F297G270-R274 WeakPolarHBondContact O-CG 3.43Å; G270-R274 PolarHBondContact O-N 3.43Å; G270-R274 VanDerWaalsContact O-N 3.1Å; G270-R274 PolarHBondContact O-NH1 3.43Å; Y271-R274 WeakPolarHBondContact O-CB 3.02Å; Y271-R274 PolarHBondContact O-N 3.21Å; Y271-R274 VanDerWaalsContact O-N 3.09Å; H272-R274 VanDerWaalsContact C-N 3.29Å; H272-R274 PolarHBondContact O-N 2.89Å; R274-E276 PolarHBondContact O-N 3.24Å; R274-Y277 WeakPolarHBondContact O-CB 3.31Å; R274-Y277 PolarHBondContact O-N 3.28Å; R274-I278 WeakPolarHBondContact O-CG1 3.49Å; R274-I278 PolarHBondContact O-N 3.27Å; R274-G296 PolarHBondContact NE-O 3.19Å; R274-G296 PolarHBondContact NH2-O 2.95Å; R274-F297 HydrophobicContact CB-CB 3.71Å
275R91.6Very high91.5Very high112 Ų11274.6 Ų74.642%0.42337%0.365SS..Hα-helixtrans-58.3-47.8177.1-172.2176.975.3-178.14.7111.9Y271 H272 Y277 I278 A279 F297Y271-R275 PolarHBondContact O-N 3.42Å; H272-R275 PolarHBondContact ND1-NH2 3.19Å; H272-R275 PolarHBondContact O-N 3.5Å; R275-Y277 PolarHBondContact O-N 3.19Å; R275-I278 PolarHBondContact O-N 3.06Å; R275-A279 VanDerWaalsContact O-CB 3.25Å; R275-A279 WeakPolarHBondContact O-CB 3.39Å; R275-A279 PolarHBondContact O-N 2.87Å; R275-F297 HydrophobicContact CB-CD2 3.6Å; R275-F297 HydrophobicContact CB-CE2 3.7Å; R275-F297 HydrophobicContact CB-CG 4.08Å; R275-F297 HydrophobicContact CB-CZ 4.27Å; R275-F297 HydrophobicContact CG-CD2 3.94Å; R275-F297 HydrophobicContact CG-CE1 4.16Å; R275-F297 HydrophobicContact CG-CE2 3.52Å; R275-F297 HydrophobicContact CG-CG 4.42Å; R275-F297 HydrophobicContact CG-CZ 3.66Å
276E93.4Very high91.4Very high142 Ų14271.8 Ų71.866%0.66436%0.362SS*.Hα-helixtrans-61-44.3177.5-174.8-178.7-17700111.7H272 R274 A279 A280H272-E276 WeakPolarHBondContact O-CB 3.32Å; H272-E276 PolarHBondContact O-N 3.48Å; R274-E276 PolarHBondContact O-N 3.24Å; E276-A279 PolarHBondContact O-N 3.38Å; E276-A280 WeakPolarHBondContact O-CB 3.21Å; E276-A280 PolarHBondContact O-N 3.26Å
277Y91.4Very high91.4Very high112 Ų11274.6 Ų74.644%0.43938%0.383SS..Hα-helixtrans-59.6-52.2176.1-175.6-88.8000111.6K273 R274 R275 A279 A280 F281K273-Y277 VanDerWaalsContact O-CB 3.32Å; K273-Y277 WeakPolarHBondContact O-CB 3.38Å; K273-Y277 PolarHBondContact O-N 3.5Å; R274-Y277 WeakPolarHBondContact O-CB 3.31Å; R274-Y277 PolarHBondContact O-N 3.28Å; R275-Y277 PolarHBondContact O-N 3.19Å; Y277-A279 VanDerWaalsContact C-N 3.34Å; Y277-A279 PolarHBondContact O-N 2.85Å; Y277-A280 WeakPolarHBondContact O-CB 3.49Å; Y277-A280 PolarHBondContact O-N 3.07Å; Y277-F281 AromaticContact CD1-CD2 3.89Å; Y277-F281 HydrophobicContact CD1-CD2 3.89Å; Y277-F281 AromaticContact CD1-CE2 3.99Å; Y277-F281 HydrophobicContact CD1-CE2 3.99Å; Y277-F281 HydrophobicContact CD2-CE2 4.25Å; Y277-F281 AromaticContact CE1-CD2 3.57Å; Y277-F281 HydrophobicContact CE1-CD2 3.57Å; Y277-F281 AromaticContact CE1-CE2 3.29Å; Y277-F281 HydrophobicContact CE1-CE2 3.29Å; Y277-F281 HydrophobicContact CE1-CZ 4.08Å; Y277-F281 HydrophobicContact CE2-CD2 4.39Å; Y277-F281 AromaticContact CE2-CE2 3.62Å; Y277-F281 HydrophobicContact CE2-CE2 3.62Å; Y277-F281 HydrophobicContact CE2-CZ 4.48Å; Y277-F281 HydrophobicContact CG-CD2 4.42Å; Y277-F281 HydrophobicContact CG-CE2 4.42Å; Y277-F281 AromaticContact CZ-CD2 3.86Å; Y277-F281 AromaticContact CZ-CE2 3.09Å; Y277-F281 AromaticContact CZ-CZ 3.74Å; Y277-F281 WeakPolarHBondContact O-CD2 3.23Å; Y277-F281 PolarHBondContact O-N 2.82Å; Y277-F281 VanDerWaalsContact O-N 3.11Å; Y277-F281 WeakPolarHBondContact OH-CE2 3.36Å; Y277-F281 VanDerWaalsContact OH-CZ 3.3Å; Y277-F281 WeakPolarHBondContact OH-CZ 3.45Å
278I92.2Very high91.6Very high7 Ų774 Ų744%0.03638%0.383CS..Hα-helixtrans-60.5-44.8178-64.5-65.6000110.7R274 R275 A280 F281 L282 Y292 F297 L300R274-I278 WeakPolarHBondContact O-CG1 3.49Å; R274-I278 PolarHBondContact O-N 3.27Å; R275-I278 PolarHBondContact O-N 3.06Å; I278-A280 VanDerWaalsContact C-N 3.3Å; I278-A280 PolarHBondContact O-N 3.12Å; I278-F281 PolarHBondContact O-N 3.41Å; I278-F281 VanDerWaalsContact O-N 3.08Å; I278-L282 HydrophobicContact CG2-CD1 3.96Å; I278-L282 HydrophobicContact CG2-CG 4.1Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 3.41Å; I278-Y292 HydrophobicContact CG2-CD2 3.8Å; I278-Y292 HydrophobicContact CG2-CE2 4.28Å; I278-Y292 HydrophobicContact CG2-CG 4.35Å; I278-F297 HydrophobicContact CB-CD1 4.09Å; I278-F297 HydrophobicContact CG1-CB 3.9Å; I278-F297 HydrophobicContact CG1-CD1 4.21Å; I278-F297 HydrophobicContact CG2-CD1 4.12Å; I278-L300 HydrophobicContact CD1-CB 3.75Å; I278-L300 HydrophobicContact CD1-CD2 4.21Å; I278-L300 HydrophobicContact CD1-CG 4.45Å
279A93.7Very high91.9Very high50 Ų5075.5 Ų75.541%0.41339%0.392SS..Hα-helixtrans-58.2-40.7177.400000112.4R275 E276 Y277 L282 S283R275-A279 VanDerWaalsContact O-CB 3.25Å; R275-A279 WeakPolarHBondContact O-CB 3.39Å; R275-A279 PolarHBondContact O-N 2.87Å; E276-A279 PolarHBondContact O-N 3.38Å; Y277-A279 VanDerWaalsContact C-N 3.34Å; Y277-A279 PolarHBondContact O-N 2.85Å; A279-L282 PolarHBondContact O-N 2.92Å; A279-S283 WeakPolarHBondContact O-CB 3.21Å; A279-S283 PolarHBondContact O-N 2.88Å
280A93.9Very high92.2Very high45 Ų4574.4 Ų74.437%0.37239%0.393SS..Hα-helixtrans-62-43.7174.400000111.7E276 Y277 I278 S283 H284E276-A280 WeakPolarHBondContact O-CB 3.21Å; E276-A280 PolarHBondContact O-N 3.26Å; Y277-A280 WeakPolarHBondContact O-CB 3.49Å; Y277-A280 PolarHBondContact O-N 3.07Å; I278-A280 VanDerWaalsContact C-N 3.3Å; I278-A280 PolarHBondContact O-N 3.12Å; A280-S283 PolarHBondContact O-N 3.38Å; A280-H284 PolarHBondContact O-N 3Å; A280-H284 VanDerWaalsContact O-N 3.08Å; A280-H284 PolarHBondContact O-ND1 3.34Å
281F92.2Very high92.5Very high56 Ų5679.2 Ų79.225%0.24641%0.409CS..Hα-helixtrans-64.4-43.1175.6-88-94.8000112.7Y277 I278 S283 H284 F285 L300 L302Y277-F281 AromaticContact CD1-CD2 3.89Å; Y277-F281 HydrophobicContact CD1-CD2 3.89Å; Y277-F281 AromaticContact CD1-CE2 3.99Å; Y277-F281 HydrophobicContact CD1-CE2 3.99Å; Y277-F281 HydrophobicContact CD2-CE2 4.25Å; Y277-F281 AromaticContact CE1-CD2 3.57Å; Y277-F281 HydrophobicContact CE1-CD2 3.57Å; Y277-F281 AromaticContact CE1-CE2 3.29Å; Y277-F281 HydrophobicContact CE1-CE2 3.29Å; Y277-F281 HydrophobicContact CE1-CZ 4.08Å; Y277-F281 HydrophobicContact CE2-CD2 4.39Å; Y277-F281 AromaticContact CE2-CE2 3.62Å; Y277-F281 HydrophobicContact CE2-CE2 3.62Å; Y277-F281 HydrophobicContact CE2-CZ 4.48Å; Y277-F281 HydrophobicContact CG-CD2 4.42Å; Y277-F281 HydrophobicContact CG-CE2 4.42Å; Y277-F281 AromaticContact CZ-CD2 3.86Å; Y277-F281 AromaticContact CZ-CE2 3.09Å; Y277-F281 AromaticContact CZ-CZ 3.74Å; Y277-F281 WeakPolarHBondContact O-CD2 3.23Å; Y277-F281 PolarHBondContact O-N 2.82Å; Y277-F281 VanDerWaalsContact O-N 3.11Å; Y277-F281 WeakPolarHBondContact OH-CE2 3.36Å; Y277-F281 VanDerWaalsContact OH-CZ 3.3Å; Y277-F281 WeakPolarHBondContact OH-CZ 3.45Å; I278-F281 PolarHBondContact O-N 3.41Å; I278-F281 VanDerWaalsContact O-N 3.08Å; F281-S283 VanDerWaalsContact C-N 3.26Å; F281-S283 PolarHBondContact O-N 3.26Å; F281-H284 PolarHBondContact O-N 2.9Å; F281-F285 AromaticContact CD1-CD2 3.8Å; F281-F285 HydrophobicContact CD1-CD2 3.8Å; F281-F285 HydrophobicContact CD1-CE2 4.09Å; F281-F285 HydrophobicContact CE1-CD2 4.36Å; F281-F285 HydrophobicContact CE1-CE2 4.22Å; F281-F285 PolarHBondContact O-N 2.98Å; F281-L300 HydrophobicContact CB-CD2 3.61Å; F281-L300 HydrophobicContact CD1-CD2 3.88Å; F281-L300 HydrophobicContact CG-CD2 3.76Å; F281-L302 HydrophobicContact CD1-CD1 3.9Å; F281-L302 HydrophobicContact CE1-CD1 4.47Å
282L93.3Very high92.7Very high49 Ų4982.5 Ų82.526%0.25742%0.422SS..Hα-helixtrans-60.9-37.9175.3-65.5178000111.1I278 A279 G286 V289 Y292I278-L282 HydrophobicContact CG2-CD1 3.96Å; I278-L282 HydrophobicContact CG2-CG 4.1Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 3.41Å; A279-L282 PolarHBondContact O-N 2.92Å; L282-G286 WeakPolarHBondContact O-CA 3.42Å; L282-G286 PolarHBondContact O-N 2.66Å; L282-V289 HydrophobicContact CD2-CB 4.31Å; L282-V289 HydrophobicContact CD2-CG1 3.94Å; L282-V289 HydrophobicContact CD2-CG2 3.48Å; L282-V289 VanDerWaalsContact CD2-CG2 3.48Å; L282-Y292 HydrophobicContact CD1-CE1 4.15Å; L282-Y292 HydrophobicContact CD1-CE2 4.17Å; L282-Y292 HydrophobicContact CD2-CD1 4.1Å; L282-Y292 HydrophobicContact CD2-CE1 4.2Å
283S95.2Very high92.7Very high100 Ų10081 Ų8170%0.69942%0.416SS*.Hα-helixtrans-67.9-35.8177-174.20000113.2A279 A280 F281A279-S283 WeakPolarHBondContact O-CB 3.21Å; A279-S283 PolarHBondContact O-N 2.88Å; A280-S283 PolarHBondContact O-N 3.38Å; F281-S283 VanDerWaalsContact C-N 3.26Å; F281-S283 PolarHBondContact O-N 3.26Å
284H93.4Very high92.4Very high145 Ų14578.8 Ų78.867%0.67142%0.417SS*.Hα-helixtrans-89.2-35.5-176.8-71.480.1000113.1A280 F281A280-H284 PolarHBondContact O-N 3Å; A280-H284 VanDerWaalsContact O-N 3.08Å; A280-H284 PolarHBondContact O-ND1 3.34Å; F281-H284 PolarHBondContact O-N 2.9Å
285F93.3Very high92Very high93 Ų9380.9 Ų80.941%0.40843%0.429SS..Hα-helixtrans-124.318.6-170.7-55.6-73.5000113F281 M287 G288 L302 L304F281-F285 AromaticContact CD1-CD2 3.8Å; F281-F285 HydrophobicContact CD1-CD2 3.8Å; F281-F285 HydrophobicContact CD1-CE2 4.09Å; F281-F285 HydrophobicContact CE1-CD2 4.36Å; F281-F285 HydrophobicContact CE1-CE2 4.22Å; F281-F285 PolarHBondContact O-N 2.98Å; F285-M287 PolarHBondContact O-N 3.37Å; F285-G288 PolarHBondContact O-N 3.23Å; F285-L302 HydrophobicContact CB-CD1 4.12Å; F285-L302 HydrophobicContact CB-CD2 4.42Å; F285-L302 HydrophobicContact CD2-CD1 4.36Å; F285-L302 HydrophobicContact CG-CD1 4.36Å; F285-L304 HydrophobicContact CD1-CD2 4.21Å
286G88.4Confident91.6Very high38 Ų3876.4 Ų76.439%0.39242%0.418SS..G310 helixtrans-51.9-34.9-172.200000115.3L282 G288 V289L282-G286 WeakPolarHBondContact O-CA 3.42Å; L282-G286 PolarHBondContact O-N 2.66Å; G286-G288 PolarHBondContact O-N 3.11Å; G286-V289 WeakPolarHBondContact O-CG2 2.87Å; G286-V289 PolarHBondContact O-N 2.86Å
287M91.3Very high91.4Very high196 Ų19670.8 Ų70.897%0.96639%0.391SS*.G310 helixtrans-69.4-18.3178.5-62-58.6-65.300113.9F285F285-M287 PolarHBondContact O-N 3.37Å
288G92.5Very high91.3Very high18 Ų1866.5 Ų66.519%0.18638%0.377CS..G310 helixtrans-107.412.1178.800000113.4F285 G286 V290 L302 L303F285-G288 PolarHBondContact O-N 3.23Å; G286-G288 PolarHBondContact O-N 3.11Å; G288-V290 PolarHBondContact O-N 3.08Å; G288-L302 CarbonylContact O-C 3.58Å; G288-L302 VanDerWaalsContact O-CA 3.31Å; G288-L302 WeakPolarHBondContact O-CA 3.48Å; G288-L303 PolarHBondContact O-N 3.44Å
289V95.8Very high91.3Very high43 Ų4371.7 Ų71.726%0.26140%0.399SS..EExtended strand (participates in β ladder)trans-75.2126.4-179.91780000110L282 G286 Y292 L300 L302L282-V289 HydrophobicContact CD2-CB 4.31Å; L282-V289 HydrophobicContact CD2-CG1 3.94Å; L282-V289 HydrophobicContact CD2-CG2 3.48Å; L282-V289 VanDerWaalsContact CD2-CG2 3.48Å; G286-V289 WeakPolarHBondContact O-CG2 2.87Å; G286-V289 PolarHBondContact O-N 2.86Å; V289-Y292 HydrophobicContact CG1-CD1 4.14Å; V289-L300 HydrophobicContact CG1-CD1 4.46Å; V289-L302 HydrophobicContact CB-CD2 4.23Å; V289-L302 HydrophobicContact CG2-CD2 3.63Å
290V95.7Very high91.4Very high83 Ų8369.6 Ų69.650%0.50338%0.381SS..EExtended strand (participates in β ladder)trans-93.5-53.7175-179.10000110.1G288 T301 L303 L312G288-V290 PolarHBondContact O-N 3.08Å; V290-T301 HydrophobicContact CB-CG2 3.97Å; V290-T301 HydrophobicContact CG1-CG2 4.39Å; V290-T301 HydrophobicContact CG2-CG2 4.29Å; V290-T301 PolarHBondContact N-O 2.95Å; V290-L303 HydrophobicContact CG2-CB 3.65Å; V290-L312 HydrophobicContact CG2-CD2 4Å
291E94.9Very high91.5Very high125 Ų12567.9 Ų67.958%0.58437%0.366SS*.EExtended strand (participates in β ladder)trans-156.715717857.4167.9-16400110.4T301E291-T301 PolarHBondContact N-O 2.86Å; E291-T301 PolarHBondContact O-N 3.39Å; E291-T301 PolarHBondContact OE1-OG1 2.9Å
292Y93Very high91.6Very high102 Ų10265.4 Ų65.440%0.436%0.355SS..EExtended strand (participates in β ladder)trans-152.7158.7168.172.2-80.7000110.8I278 L282 V289 A294 F297 K299I278-Y292 HydrophobicContact CG2-CD2 3.8Å; I278-Y292 HydrophobicContact CG2-CE2 4.28Å; I278-Y292 HydrophobicContact CG2-CG 4.35Å; L282-Y292 HydrophobicContact CD1-CE1 4.15Å; L282-Y292 HydrophobicContact CD1-CE2 4.17Å; L282-Y292 HydrophobicContact CD2-CD1 4.1Å; L282-Y292 HydrophobicContact CD2-CE1 4.2Å; V289-Y292 HydrophobicContact CG1-CD1 4.14Å; Y292-A294 HydrophobicContact CD2-CB 4.39Å; Y292-A294 HydrophobicContact CE2-CB 3.81Å; Y292-A294 PolarHBondContact O-N 3.17Å; Y292-A294 VanDerWaalsContact O-N 3.17Å; Y292-F297 HydrophobicContact CE2-CE1 4.26Å; Y292-K299 WeakPolarHBondContact CA-O 3.49Å; Y292-K299 WeakPolarHBondContact CB-O 3.31Å
293D89.4Confident91.8Very high38 Ų3867 Ų6720%0.20336%0.364CS..  trans-7697.2174.1173.315.2000109.7E295 G296 F297 T298 K299D293-E295 PolarHBondContact O-N 2.89Å; D293-E295 PolarHBondContact OD1-N 2.76Å; D293-G296 VanDerWaalsContact CG-N 3.34Å; D293-G296 PolarHBondContact OD1-N 2.92Å; D293-G296 VanDerWaalsContact OD2-C 3.24Å; D293-G296 VanDerWaalsContact OD2-CA 3.23Å; D293-G296 WeakPolarHBondContact OD2-CA 3.19Å; D293-G296 PolarHBondContact OD2-N 2.76Å; D293-F297 WeakPolarHBondContact O-CA 3.33Å; D293-F297 WeakPolarHBondContact O-CD1 3.47Å; D293-F297 PolarHBondContact O-N 3.08Å; D293-F297 PolarHBondContact OD2-N 3.24Å; D293-F297 VanDerWaalsContact OD2-N 3.12Å; D293-T298 WeakPolarHBondContact OD2-CB 3.44Å; D293-T298 PolarHBondContact OD2-N 3.29Å; D293-T298 PolarHBondContact OD2-OG1 3.39Å; D293-K299 HydrophobicContact CB-CB 4.14Å; D293-K299 PolarHBondContact N-O 2.81Å
294A86.1Confident91.8Very high59 Ų5964.7 Ų64.749%0.48834%0.343SS..THydrogen-bonded Turntrans-73.4-14.7-177.300000114Y292 F297Y292-A294 HydrophobicContact CD2-CB 4.39Å; Y292-A294 HydrophobicContact CE2-CB 3.81Å; Y292-A294 PolarHBondContact O-N 3.17Å; Y292-A294 VanDerWaalsContact O-N 3.17Å; A294-F297 VanDerWaalsContact O-CZ 3.31Å; A294-F297 WeakPolarHBondContact O-CZ 3.37Å
295E82.2Confident91.9Very high85 Ų8563.6 Ų63.640%0.39734%0.34SS..THydrogen-bonded Turntrans-96.6-60179.5-73.3159.1-124.600110.9L191 Y271 D293L191-E295 WeakPolarHBondContact CB-OE2 3.48Å; L191-E295 HydrophobicContact CD1-CG 4.48Å; L191-E295 WeakPolarHBondContact CD1-OE1 3.48Å; L191-E295 WeakPolarHBondContact CD1-OE2 3.3Å; L191-E295 VanDerWaalsContact CG-CD 3.44Å; L191-E295 HydrophobicContact CG-CG 4.45Å; L191-E295 WeakPolarHBondContact CG-OE2 3.25Å; Y271-E295 VanDerWaalsContact CE2-O 3.23Å; Y271-E295 WeakPolarHBondContact CE2-O 3.35Å; D293-E295 PolarHBondContact O-N 2.89Å; D293-E295 PolarHBondContact OD1-N 2.76Å
296G82.9Confident92Very high18 Ų1867.7 Ų67.719%0.18635%0.353CS..THydrogen-bonded Turntrans-91.4-14.7-172.600000114.4R274 D293 T298R274-G296 PolarHBondContact NE-O 3.19Å; R274-G296 PolarHBondContact NH2-O 2.95Å; D293-G296 VanDerWaalsContact CG-N 3.34Å; D293-G296 PolarHBondContact OD1-N 2.92Å; D293-G296 VanDerWaalsContact OD2-C 3.24Å; D293-G296 VanDerWaalsContact OD2-CA 3.23Å; D293-G296 WeakPolarHBondContact OD2-CA 3.19Å; D293-G296 PolarHBondContact OD2-N 2.76Å; G296-T298 WeakPolarHBondContact O-CG2 3.36Å; G296-T298 PolarHBondContact O-N 2.91Å
297F89.4Confident92.3Very high24 Ų2473.6 Ų73.611%0.10537%0.367CS..  trans53.533.2-174-56.2-67.9000113.3Y271 R274 R275 I278 Y292 D293 A294Y271-F297 HydrophobicContact CD2-CD2 4.18Å; Y271-F297 AromaticContact CE2-CD2 3.63Å; Y271-F297 HydrophobicContact CE2-CD2 3.63Å; Y271-F297 AromaticContact CE2-CE2 3.72Å; Y271-F297 HydrophobicContact CE2-CE2 3.72Å; Y271-F297 AromaticContact CZ-CE2 3.65Å; Y271-F297 WeakPolarHBondContact OH-CE2 3.45Å; R274-F297 HydrophobicContact CB-CB 3.71Å; R275-F297 HydrophobicContact CB-CD2 3.6Å; R275-F297 HydrophobicContact CB-CE2 3.7Å; R275-F297 HydrophobicContact CB-CG 4.08Å; R275-F297 HydrophobicContact CB-CZ 4.27Å; R275-F297 HydrophobicContact CG-CD2 3.94Å; R275-F297 HydrophobicContact CG-CE1 4.16Å; R275-F297 HydrophobicContact CG-CE2 3.52Å; R275-F297 HydrophobicContact CG-CG 4.42Å; R275-F297 HydrophobicContact CG-CZ 3.66Å; I278-F297 HydrophobicContact CB-CD1 4.09Å; I278-F297 HydrophobicContact CG1-CB 3.9Å; I278-F297 HydrophobicContact CG1-CD1 4.21Å; I278-F297 HydrophobicContact CG2-CD1 4.12Å; Y292-F297 HydrophobicContact CE2-CE1 4.26Å; D293-F297 WeakPolarHBondContact O-CA 3.33Å; D293-F297 WeakPolarHBondContact O-CD1 3.47Å; D293-F297 PolarHBondContact O-N 3.08Å; D293-F297 PolarHBondContact OD2-N 3.24Å; D293-F297 VanDerWaalsContact OD2-N 3.12Å; A294-F297 VanDerWaalsContact O-CZ 3.31Å; A294-F297 WeakPolarHBondContact O-CZ 3.37Å
298T89.1Confident92.4Very high23 Ų2371.2 Ų71.214%0.14136%0.359CS..  trans-93.2-18.6-176.462.40000114D293 G296 R317 K319D293-T298 WeakPolarHBondContact OD2-CB 3.44Å; D293-T298 PolarHBondContact OD2-N 3.29Å; D293-T298 PolarHBondContact OD2-OG1 3.39Å; G296-T298 WeakPolarHBondContact O-CG2 3.36Å; G296-T298 PolarHBondContact O-N 2.91Å; T298-R317 PolarHBondContact O-N 2.98Å; T298-K319 HydrophobicContact CG2-CG 4.39Å
299K92.3Very high92.5Very high116 Ų11678 Ų7850%0.50438%0.383SS..EExtended strand (participates in β ladder)trans-135.4145.6-175-60.9177.1-174.8172.50111.6Y292 D293 G315Y292-K299 WeakPolarHBondContact CA-O 3.49Å; Y292-K299 WeakPolarHBondContact CB-O 3.31Å; D293-K299 HydrophobicContact CB-CB 4.14Å; D293-K299 PolarHBondContact N-O 2.81Å; K299-G315 CarbonylContact C-O 3.51Å; K299-G315 WeakPolarHBondContact CA-O 3.02Å
300L94.7Very high92.6Very high6 Ų679.7 Ų79.73%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-146.3137.4173.3176.164.3000108.8I278 F281 V289 L302 H314 G315I278-L300 HydrophobicContact CD1-CB 3.75Å; I278-L300 HydrophobicContact CD1-CD2 4.21Å; I278-L300 HydrophobicContact CD1-CG 4.45Å; F281-L300 HydrophobicContact CB-CD2 3.61Å; F281-L300 HydrophobicContact CD1-CD2 3.88Å; F281-L300 HydrophobicContact CG-CD2 3.76Å; V289-L300 HydrophobicContact CG1-CD1 4.46Å; L300-L302 HydrophobicContact CD1-CD2 3.86Å; L300-L302 HydrophobicContact CD1-CG 4.39Å; L300-L302 HydrophobicContact CD2-CD1 4.18Å; L300-L302 HydrophobicContact CD2-CD2 4.24Å; L300-L302 HydrophobicContact CD2-CG 4.15Å; L300-L302 HydrophobicContact CG-CD2 4.1Å; L300-L302 HydrophobicContact CG-CG 4.07Å; L300-H314 CarbonylContact O-C 3.56Å; L300-H314 WeakPolarHBondContact O-CA 3.19Å; L300-G315 PolarHBondContact N-O 3.31Å; L300-G315 PolarHBondContact O-N 3.35Å
301T95.9Very high92.6Very high9 Ų980.3 Ų80.36%0.05539%0.392CS..EExtended strand (participates in β ladder)trans-126126.4170.5-60.20000109.1V290 E291 L312 V313 H314V290-T301 HydrophobicContact CB-CG2 3.97Å; V290-T301 HydrophobicContact CG1-CG2 4.39Å; V290-T301 HydrophobicContact CG2-CG2 4.29Å; V290-T301 PolarHBondContact N-O 2.95Å; E291-T301 PolarHBondContact N-O 2.86Å; E291-T301 PolarHBondContact O-N 3.39Å; E291-T301 PolarHBondContact OE1-OG1 2.9Å; T301-L312 HydrophobicContact CG2-CD2 4.14Å; T301-V313 WeakPolarHBondContact CA-O 3.36Å; T301-H314 VanDerWaalsContact CG2-CE1 3.47Å; T301-H314 WeakPolarHBondContact CG2-CE1 3.47Å; T301-H314 WeakPolarHBondContact CG2-ND1 3.38Å; T301-H314 PolarHBondContact OG1-ND1 3.4Å
302L95.8Very high92.7Very high4 Ų478.9 Ų78.92%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-117.7144.7177.4-57.5176.1000110.4F281 F285 G288 V289 L300 L304 L312 V313F281-L302 HydrophobicContact CD1-CD1 3.9Å; F281-L302 HydrophobicContact CE1-CD1 4.47Å; F285-L302 HydrophobicContact CB-CD1 4.12Å; F285-L302 HydrophobicContact CB-CD2 4.42Å; F285-L302 HydrophobicContact CD2-CD1 4.36Å; F285-L302 HydrophobicContact CG-CD1 4.36Å; G288-L302 CarbonylContact O-C 3.58Å; G288-L302 VanDerWaalsContact O-CA 3.31Å; G288-L302 WeakPolarHBondContact O-CA 3.48Å; V289-L302 HydrophobicContact CB-CD2 4.23Å; V289-L302 HydrophobicContact CG2-CD2 3.63Å; L300-L302 HydrophobicContact CD1-CD2 3.86Å; L300-L302 HydrophobicContact CD1-CG 4.39Å; L300-L302 HydrophobicContact CD2-CD1 4.18Å; L300-L302 HydrophobicContact CD2-CD2 4.24Å; L300-L302 HydrophobicContact CD2-CG 4.15Å; L300-L302 HydrophobicContact CG-CD2 4.1Å; L300-L302 HydrophobicContact CG-CG 4.07Å; L302-L304 HydrophobicContact CB-CD2 4.47Å; L302-L304 HydrophobicContact CB-CG 4.38Å; L302-L312 CarbonylContact O-C 3.49Å; L302-L312 VanDerWaalsContact O-CA 3.3Å; L302-L312 WeakPolarHBondContact O-CA 3.41Å; L302-V313 PolarHBondContact N-O 2.87Å; L302-V313 PolarHBondContact O-N 3.47Å
303L96.9Very high92.7Very high83 Ų8376.8 Ų76.844%0.43539%0.386SS..EExtended strand (participates in β ladder)trans-103.7116.2167.4177.964.8000108.3G288 V290 C310 L312G288-L303 PolarHBondContact O-N 3.44Å; V290-L303 HydrophobicContact CG2-CB 3.65Å; L303-C310 HydrophobicContact CD1-CB 4.05Å; L303-L312 HydrophobicContact CB-CD2 4.08Å; L303-L312 HydrophobicContact CD1-CD2 3.95Å
304L95Very high92.9Very high50 Ų5080.2 Ų80.226%0.26240%0.401SS..EExtended strand (participates in β ladder)trans-120.1160.8179.6-57.8179.5000110.2F285 L302 C310 F311 V313F285-L304 HydrophobicContact CD1-CD2 4.21Å; L302-L304 HydrophobicContact CB-CD2 4.47Å; L302-L304 HydrophobicContact CB-CG 4.38Å; L304-C310 WeakPolarHBondContact O-CA 3.31Å; L304-F311 HydrophobicContact CB-CE1 4.06Å; L304-F311 HydrophobicContact CB-CE2 4.03Å; L304-F311 HydrophobicContact CB-CZ 3.72Å; L304-F311 HydrophobicContact CD1-CE2 4.24Å; L304-F311 HydrophobicContact CD1-CZ 4.29Å; L304-F311 PolarHBondContact N-O 2.74Å; L304-F311 PolarHBondContact O-N 3.04Å; L304-V313 HydrophobicContact CD1-CG2 3.88Å
305M95.8Very high92.9Very high123 Ų12378.9 Ų78.961%0.60639%0.392SS*.EExtended strand (participates in β ladder)trans-127.1133.5179.5-173.5-176.4-72.700110.4F309 C310M305-F309 WeakPolarHBondContact CA-O 3.41Å; M305-C310 VanDerWaalsContact CE-SG 3.58Å
306W94.9Very high93Very high179 Ų17984.2 Ų84.268%0.67841%0.409SS*.EExtended strand (participates in β ladder)trans-134.7118.2172.6-178.5-95.2000110.1D308 F309 F311W306-D308 VanDerWaalsContact C-N 3.33Å; W306-D308 PolarHBondContact O-N 2.92Å; W306-F309 PolarHBondContact N-O 3.41Å; W306-F309 PolarHBondContact O-N 2.8Å; W306-F311 HydrophobicContact CB-CE1 3.83Å
307K94.5Very high92.4Very high162 Ų16289 Ų8970%0.70442%0.421SS*.THydrogen-bonded Turntrans48.750.9-178-60.7-176.4176.8-175.90112.9F309K307-F309 WeakPolarHBondContact O-CD2 3.3Å; K307-F309 PolarHBondContact O-N 3.06Å; K307-F309 VanDerWaalsContact O-N 3.16Å
308D93.8Very high90.8Very high146 Ų14693.5 Ų93.578%0.78145%0.446SS*.THydrogen-bonded Turntrans66.16.1-178.7-49.6-41.2000116W306W306-D308 VanDerWaalsContact C-N 3.33Å; W306-D308 PolarHBondContact O-N 2.92Å
309F95.8Very high89.2Confident159 Ų15998.8 Ų98.870%0.69747%0.467SS*.EExtended strand (participates in β ladder)trans-99121.4170-69.1-90.1000110.6M305 W306 K307M305-F309 WeakPolarHBondContact CA-O 3.41Å; W306-F309 PolarHBondContact N-O 3.41Å; W306-F309 PolarHBondContact O-N 2.8Å; K307-F309 WeakPolarHBondContact O-CD2 3.3Å; K307-F309 PolarHBondContact O-N 3.06Å; K307-F309 VanDerWaalsContact O-N 3.16Å
310C96.2Very high87Confident80 Ų8099.3 Ų99.354%0.54147%0.471SS..EExtended strand (participates in β ladder)trans-84.1139.8173.4-66.70000111L303 L304 M305L303-C310 HydrophobicContact CD1-CB 4.05Å; L304-C310 WeakPolarHBondContact O-CA 3.31Å; M305-C310 VanDerWaalsContact CE-SG 3.58Å
311F96.1Very high84.4Confident95 Ų95107.6 Ų107.642%0.41751%0.506SS..EExtended strand (participates in β ladder)trans-145.6157.417462.8-83.1000111.3L304 W306 V313L304-F311 HydrophobicContact CB-CE1 4.06Å; L304-F311 HydrophobicContact CB-CE2 4.03Å; L304-F311 HydrophobicContact CB-CZ 3.72Å; L304-F311 HydrophobicContact CD1-CE2 4.24Å; L304-F311 HydrophobicContact CD1-CZ 4.29Å; L304-F311 PolarHBondContact N-O 2.74Å; L304-F311 PolarHBondContact O-N 3.04Å; W306-F311 HydrophobicContact CB-CE1 3.83Å; F311-V313 HydrophobicContact CD2-CG2 3.87Å; F311-V313 HydrophobicContact CE2-CG2 3.57Å
312L96.4Very high81.9Confident95 Ų95114 Ų11450%0.49754%0.54SS..EExtended strand (participates in β ladder)trans-99.3137.9177.7-68174.9000110.8V290 T301 L302 L303V290-L312 HydrophobicContact CG2-CD2 4Å; T301-L312 HydrophobicContact CG2-CD2 4.14Å; L302-L312 CarbonylContact O-C 3.49Å; L302-L312 VanDerWaalsContact O-CA 3.3Å; L302-L312 WeakPolarHBondContact O-CA 3.41Å; L303-L312 HydrophobicContact CB-CD2 4.08Å; L303-L312 HydrophobicContact CD1-CD2 3.95Å
313V94.4Very high78.8Confident59 Ų59120.1 Ų120.136%0.35857%0.573SS.*EExtended strand (participates in β ladder)trans-115.3120.8170.3-179.80000108.5T301 L302 L304 F311T301-V313 WeakPolarHBondContact CA-O 3.36Å; L302-V313 PolarHBondContact N-O 2.87Å; L302-V313 PolarHBondContact O-N 3.47Å; L304-V313 HydrophobicContact CD1-CG2 3.88Å; F311-V313 HydrophobicContact CD2-CG2 3.87Å; F311-V313 HydrophobicContact CE2-CG2 3.57Å
314H92.9Very high75.7Confident110 Ų110122.7 Ų122.751%0.50959%0.587SS.*EExtended strand (participates in β ladder)trans-103.3109.6176.7-58.1-72.3000110.1L300 T301L300-H314 CarbonylContact O-C 3.56Å; L300-H314 WeakPolarHBondContact O-CA 3.19Å; T301-H314 VanDerWaalsContact CG2-CE1 3.47Å; T301-H314 WeakPolarHBondContact CG2-CE1 3.47Å; T301-H314 WeakPolarHBondContact CG2-ND1 3.38Å; T301-H314 PolarHBondContact OG1-ND1 3.4Å
315G86.9Confident72.6Confident30 Ų30125.6 Ų125.631%0.30961%0.61SS.*EExtended strand (participates in β ladder)trans-85.211416800000110.2K299 L300K299-G315 CarbonylContact C-O 3.51Å; K299-G315 WeakPolarHBondContact CA-O 3.02Å; L300-G315 PolarHBondContact N-O 3.31Å; L300-G315 PolarHBondContact O-N 3.35Å
316R84.1Confident69.4Low198 Ų198124.9 Ų124.975%0.74761%0.612SS**EExtended strand (participates in β ladder)trans-116.9118.7168.2-68.6-174.3-177.2-179.43.4109
317R69.4Low66.2Low117 Ų117124 Ų12444%0.44262%0.615SS.*  trans-96.7113.8165.9-138.6-176.6-172.9168.22.2107.1K273 T298 K319K273-R317 PolarHBondContact O-NH1 3.16Å; T298-R317 PolarHBondContact O-N 2.98Å; R317-K319 PolarHBondContact O-N 3.03Å
318L56.5Low63.1Low119 Ų119122.7 Ų122.762%0.62362%0.615SS**  trans-53.9130.2173.4-73.2161.2000108.1H320L318-H320 VanDerWaalsContact C-N 3.31Å; L318-H320 PolarHBondContact O-N 3.36Å
319K54.2Low60Low134 Ų134122.5 Ų122.558%0.58362%0.615SS**  trans-52.2108.8153.5-81.5-176.5175.1-175.40103.2T298 R317 K321T298-K319 HydrophobicContact CG2-CG 4.39Å; R317-K319 PolarHBondContact O-N 3.03Å; K319-K321 VanDerWaalsContact C-N 3.31Å; K319-K321 PolarHBondContact O-N 2.92Å
320H47.7Very low56.7Low128 Ų128123.1 Ų123.159%0.59362%0.617SS**  trans-54.4105.4175.6-106.3-78000106.2L318L318-H320 VanDerWaalsContact C-N 3.31Å; L318-H320 PolarHBondContact O-N 3.36Å
321K39.1Very low53.8Low179 Ų179128.7 Ų128.778%0.77865%0.653SS**  trans-56.5146.9153-84.3-174.9174-178.10105K319 N323K319-K321 VanDerWaalsContact C-N 3.31Å; K319-K321 PolarHBondContact O-N 2.92Å; K321-N323 PolarHBondContact O-N 2.95Å
322L42.9Very low51.7Low144 Ų144130.4 Ų130.475%0.75466%0.664SS**SBendtrans-55.7-0.6-177.4-11596.8000115
323N31.9Very low49.3Very low133 Ų133132.3 Ų132.371%0.71167%0.673SS**SBendtrans-149.6142.5166.8-78.8-41.8000111.3K321K321-N323 PolarHBondContact O-N 2.95Å
324D31.3Very low46.8Very low137 Ų137136.3 Ų136.373%0.73369%0.691SS**  trans82129.8155.1-58-31.8000124.3
325C28.8Very low44.1Very low111 Ų111137.9 Ų137.975%0.7570%0.702SS**  trans35.2126.7153.4-81.30000122.6
326V28.9Very low41.4Very low107 Ų107144.6 Ų144.665%0.64873%0.726SS**  trans-73.9118.9163.7176.80000109.3L328V326-L328 HydrophobicContact CG1-CG 4.14Å
327Q29.2Very low38.6Very low160 Ų160141.1 Ų141.175%0.74873%0.725SS**  trans-99.1121.3159.7-99.1179-45.600108.9
328L29.1Very low36.4Very low135 Ų135142.8 Ų142.871%0.70775%0.745SS**  trans-98104.6165.8-71.9168.1000106.7V326 F330V326-L328 HydrophobicContact CG1-CG 4.14Å; L328-F330 HydrophobicContact CB-CD2 4.49Å; L328-F330 HydrophobicContact CB-CE2 4.19Å
329D27.6Very low34.8Very low143 Ų143144.6 Ų144.677%0.76575%0.754SS**  trans-92.3116.9167.2-71.1-32000108.4
330F26.4Very low33.2Very low171 Ų171145.5 Ų145.575%0.7577%0.769SS**  trans-102.8142.9162.9-71.6-86.1000108.3L328L328-F330 HydrophobicContact CB-CD2 4.49Å; L328-F330 HydrophobicContact CB-CE2 4.19Å
331P35.8Very low31.9Very low198 Ų198147.1 Ų147.1100%1.28678%0.784SS**  trans-67.40164.929.3-32.8000112.4

Retrieved 331 of 331 residues in 477.1 ms (Link to these results)

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