A0A087Y3D3_POEFO Loading...

Visinin-like protein 1

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions. Regulates (in vitro) the inhibition of rhodopsin phosphorylation in a calcium-dependent manner.

AlphaFold DB (A0A3Q2FIA2), UniProt , Accession A0A087Y3D3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1M34.3Very low58.5Low250 Ų250132.5 Ų132.5100%1.23270%0.704SS**  0144.60-75.8169.1158.500108
2G39Very low60.7Low72 Ų72126.3 Ų126.374%0.74268%0.675SS**  trans-51.4130.5-149.700000118.5Q4G2-Q4 PolarHBondContact O-N 3.08Å; G2-Q4 VanDerWaalsContact O-N 3.08Å
3K37.4Very low62.7Low210 Ų210117.6 Ų117.691%0.91363%0.628SS**  trans-67.194.2155.2-77.7179.1174.4178.50107.6N5K3-N5 PolarHBondContact O-N 3.35Å
4Q42.8Very low64.5Low183 Ų183119.5 Ų119.586%0.85563%0.631SS**  trans-73.6117170.9-79.5-179.4-22.900109.1G2 S6G2-Q4 PolarHBondContact O-N 3.08Å; G2-Q4 VanDerWaalsContact O-N 3.08Å; Q4-S6 PolarHBondContact O-N 2.8Å
5N44Very low66.1Low126 Ų126115.3 Ų115.367%0.67461%0.609SS**  trans9.290.2167.7-80.7-12.7000118.3K3 K7K3-N5 PolarHBondContact O-N 3.35Å; N5-K7 PolarHBondContact O-N 3.46Å
6S55.7Low67.4Low93 Ų93108.1 Ų108.165%0.6557%0.571SS**  trans-80.720.9167.8-39.40000113.8Q4Q4-S6 PolarHBondContact O-N 2.8Å
7K65.8Low68.7Low172 Ų172105.6 Ų105.675%0.74856%0.561SS**SBendtrans-135.5132.7-176.8-69.8-174.8179.2-178.90110N5 T9N5-K7 PolarHBondContact O-N 3.46Å; K7-T9 PolarHBondContact O-N 3.09Å
8L75.1Confident69.8Low32 Ų32109.6 Ų109.617%0.16857%0.573CS.*  trans-55.1124.2164.3-70165.4000108.6V12 M13 L16 Y31 F82L8-V12 HydrophobicContact CD2-CG1 3.89Å; L8-M13 HydrophobicContact CB-CE 3.8Å; L8-M13 HydrophobicContact CD1-CE 3.51Å; L8-M13 HydrophobicContact CD1-SD 4.24Å; L8-M13 HydrophobicContact CG-CE 4.31Å; L8-L16 HydrophobicContact CD1-CD1 4.44Å; L8-L16 HydrophobicContact CD2-CD1 4.17Å; L8-Y31 HydrophobicContact CD1-CD1 4.09Å; L8-Y31 HydrophobicContact CD1-CD2 4.1Å; L8-Y31 HydrophobicContact CD1-CG 3.73Å; L8-Y31 HydrophobicContact CD2-CD2 3.81Å; L8-Y31 HydrophobicContact CD2-CE1 4.49Å; L8-Y31 HydrophobicContact CD2-CE2 3.76Å; L8-Y31 HydrophobicContact CD2-CG 4.21Å; L8-Y31 HydrophobicContact CG-CD1 3.79Å; L8-Y31 HydrophobicContact CG-CD2 3.88Å; L8-Y31 HydrophobicContact CG-CE1 3.95Å; L8-Y31 HydrophobicContact CG-CE2 4.04Å; L8-Y31 HydrophobicContact CG-CG 3.74Å; L8-F82 HydrophobicContact CD1-CD1 4.49Å; L8-F82 HydrophobicContact CD1-CE1 3.9Å; L8-F82 HydrophobicContact CD2-CD1 3.88Å; L8-F82 HydrophobicContact CD2-CE1 4.11Å
9T82.8Confident70.6Confident58 Ų58108.3 Ų108.336%0.35657%0.566SS.*  trans-64.4150.6173.751.20000109.8K7 E11 V12 M13K7-T9 PolarHBondContact O-N 3.09Å; T9-E11 VanDerWaalsContact C-N 3.25Å; T9-E11 PolarHBondContact O-N 3.33Å; T9-V12 PolarHBondContact O-N 3.31Å; T9-V12 VanDerWaalsContact O-N 3.16Å; T9-V12 WeakPolarHBondContact OG1-CB 3.41Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.32Å; T9-M13 PolarHBondContact O-N 3.5Å
10P82.8Confident71.4Confident102 Ų102103.2 Ų103.266%0.66254%0.54SS*.Hα-helixtrans-52.2-42.1178-26.934.9000113.5M13 E14P10-M13 WeakPolarHBondContact O-CB 3.42Å; P10-M13 PolarHBondContact O-N 2.98Å; P10-M13 VanDerWaalsContact O-N 3.16Å; P10-E14 PolarHBondContact O-N 3.08Å
11E84.4Confident72.1Confident159 Ų159104 Ų10474%0.74354%0.541SS*.Hα-helixtrans-61.1-47178.8-63.9177162.600112.5T9 M13 E14 D15T9-E11 VanDerWaalsContact C-N 3.25Å; T9-E11 PolarHBondContact O-N 3.33Å; E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 3.18Å; E11-E14 PolarHBondContact O-N 2.99Å; E11-D15 PolarHBondContact O-N 3.49Å
12V84.6Confident74.7Confident59 Ų5992.6 Ų92.636%0.35849%0.485SS..Hα-helixtrans-63.7-38.5174.9174.50000110.8L8 T9 D15 L16L8-V12 HydrophobicContact CD2-CG1 3.89Å; T9-V12 PolarHBondContact O-N 3.31Å; T9-V12 VanDerWaalsContact O-N 3.16Å; T9-V12 WeakPolarHBondContact OG1-CB 3.41Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.32Å; V12-D15 PolarHBondContact O-N 2.88Å; V12-L16 HydrophobicContact CG1-CD1 3.94Å; V12-L16 HydrophobicContact CG1-CG 4.18Å; V12-L16 WeakPolarHBondContact O-CB 3.46Å; V12-L16 WeakPolarHBondContact O-CG 3.45Å; V12-L16 PolarHBondContact O-N 3.41Å
13M86.6Confident77.1Confident13 Ų1393.1 Ų93.16%0.06447%0.47CS..Hα-helixtrans-63.4-45.3177.1-170.367.574.300111.6L8 T9 P10 E11 D15 L16 V17 E24 L27 K28L8-M13 HydrophobicContact CB-CE 3.8Å; L8-M13 HydrophobicContact CD1-CE 3.51Å; L8-M13 HydrophobicContact CD1-SD 4.24Å; L8-M13 HydrophobicContact CG-CE 4.31Å; T9-M13 PolarHBondContact O-N 3.5Å; P10-M13 WeakPolarHBondContact O-CB 3.42Å; P10-M13 PolarHBondContact O-N 2.98Å; P10-M13 VanDerWaalsContact O-N 3.16Å; E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 3.18Å; M13-D15 VanDerWaalsContact C-N 3.34Å; M13-L16 PolarHBondContact O-N 3.41Å; M13-V17 HydrophobicContact CG-CG2 4.48Å; M13-V17 VanDerWaalsContact O-CG2 3.31Å; M13-V17 WeakPolarHBondContact O-CG2 3.49Å; M13-V17 PolarHBondContact O-N 3.12Å; M13-E24 HydrophobicContact CE-CG 4.06Å; M13-E24 HydrophobicContact CG-CB 4.41Å; M13-E24 HydrophobicContact CG-CG 3.8Å; M13-E24 HydrophobicContact SD-CB 4.32Å; M13-E24 HydrophobicContact SD-CG 3.81Å; M13-L27 HydrophobicContact SD-CB 3.84Å; M13-L27 HydrophobicContact SD-CD1 3.74Å; M13-L27 HydrophobicContact SD-CG 4.47Å; M13-K28 HydrophobicContact CE-CD 4.43Å; M13-K28 HydrophobicContact CE-CG 3.72Å
14E87.6Confident79.5Confident144 Ų14487.7 Ų87.767%0.67345%0.448SS*.Hα-helixtrans-61.7-42.6176.4-74.8179.8-173.400111.6P10 E11 K18P10-E14 PolarHBondContact O-N 3.08Å; E11-E14 PolarHBondContact O-N 2.99Å; E14-K18 VanDerWaalsContact O-CB 3.31Å; E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 PolarHBondContact O-N 2.92Å
15D88Confident81.7Confident57 Ų5784.9 Ų84.931%0.30544%0.435SS..Hα-helixtrans-60.5-46.2174.1-17568.1000111.5E11 V12 M13 K18 N19 R83E11-D15 PolarHBondContact O-N 3.49Å; V12-D15 PolarHBondContact O-N 2.88Å; M13-D15 VanDerWaalsContact C-N 3.34Å; D15-K18 PolarHBondContact O-N 2.95Å; D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact O-CB 3.37Å; D15-N19 PolarHBondContact O-N 3.21Å; D15-N19 PolarHBondContact O-ND2 3.2Å; D15-N19 PolarHBondContact OD1-ND2 3.36Å; D15-N19 PolarHBondContact OD2-ND2 3.34Å; D15-R83 IonicContact OD1-NH2 2.62Å; D15-R83 IonicContact OD2-CZ 2.7Å; D15-R83 VanDerWaalsContact OD2-CZ 3.3Å; D15-R83 IonicContact OD2-NE 2.8Å; D15-R83 PolarHBondContact OD2-NE 3.45Å; D15-R83 IonicContact OD2-NH2 3.68Å; D15-R83 PolarHBondContact OD2-NH2 3.19Å
16L88.3Confident83.8Confident0 Ų081 Ų810%041%0.413CS..Hα-helixtrans-65.4-42.8-179.8-70.4178.1000112.5L8 V12 M13 K18 N19 T20 L27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 4.44Å; L8-L16 HydrophobicContact CD2-CD1 4.17Å; V12-L16 HydrophobicContact CG1-CD1 3.94Å; V12-L16 HydrophobicContact CG1-CG 4.18Å; V12-L16 WeakPolarHBondContact O-CB 3.46Å; V12-L16 WeakPolarHBondContact O-CG 3.45Å; V12-L16 PolarHBondContact O-N 3.41Å; M13-L16 PolarHBondContact O-N 3.41Å; L16-K18 PolarHBondContact O-N 2.89Å; L16-N19 PolarHBondContact O-N 3.07Å; L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.47Å; L16-T20 PolarHBondContact O-OG1 3.39Å; L16-L27 HydrophobicContact CB-CD1 3.71Å; L16-L27 HydrophobicContact CB-CD2 4.33Å; L16-F82 HydrophobicContact CD1-CD1 4.01Å; L16-F82 HydrophobicContact CD1-CE1 3.73Å; L16-R83 HydrophobicContact CD2-CB 3.99Å; L16-R83 HydrophobicContact CD2-CG 3.72Å; L16-I86 HydrophobicContact CD1-CG2 4.44Å; L16-I86 HydrophobicContact CD2-CG2 3.61Å
17V88.9Confident85.4Confident65 Ų6576.6 Ų76.639%0.39438%0.382SS..Hα-helixtrans-63.4-32.9175.5172.40000111M13 T20 E24 L27M13-V17 HydrophobicContact CG-CG2 4.48Å; M13-V17 VanDerWaalsContact O-CG2 3.31Å; M13-V17 WeakPolarHBondContact O-CG2 3.49Å; M13-V17 PolarHBondContact O-N 3.12Å; V17-T20 VanDerWaalsContact O-O 3.12Å; V17-E24 HydrophobicContact CG2-CB 4.43Å; V17-L27 HydrophobicContact CG2-CD1 3.55Å
18K87.9Confident86.5Confident178 Ų17873.5 Ų73.577%0.77437%0.369SS*.Hα-helixtrans-76.1-33.3178.5-172.2179.7177.8-174.50113.3E14 D15 L16E14-K18 VanDerWaalsContact O-CB 3.31Å; E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 PolarHBondContact O-N 2.92Å; D15-K18 PolarHBondContact O-N 2.95Å; L16-K18 PolarHBondContact O-N 2.89Å
19N84.9Confident87.1Confident84 Ų8477.8 Ų77.845%0.44939%0.388SS..Hα-helixtrans-100.6-1.7-175.2-67.2-76.9000113.7D15 L16D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact O-CB 3.37Å; D15-N19 PolarHBondContact O-N 3.21Å; D15-N19 PolarHBondContact O-ND2 3.2Å; D15-N19 PolarHBondContact OD1-ND2 3.36Å; D15-N19 PolarHBondContact OD2-ND2 3.34Å; L16-N19 PolarHBondContact O-N 3.07Å
20T87.4Confident87.4Confident7 Ų780 Ų804%0.04339%0.39CS..SBendtrans-132.2159.7179.1730000111.6L16 V17 F22 I86 S90L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.47Å; L16-T20 PolarHBondContact O-OG1 3.39Å; V17-T20 VanDerWaalsContact O-O 3.12Å; T20-F22 PolarHBondContact O-N 2.75Å; T20-F22 PolarHBondContact OG1-N 3.36Å; T20-I86 HydrophobicContact CG2-CG2 4.27Å; T20-S90 WeakPolarHBondContact CA-OG 3.43Å
21E86.4Confident87.6Confident121 Ų12177.1 Ų77.157%0.56537%0.366SS*.SBendtrans-86.721.8175.4-61.7-62.5135.400111.8S90 R94E21-S90 PolarHBondContact N-OG 2.99Å; E21-R94 HydrophobicContact CB-CB 3.64Å; E21-R94 HydrophobicContact CB-CG 4.35Å; E21-R94 HydrophobicContact CG-CB 4Å; E21-R94 WeakPolarHBondContact O-CD 3.4Å; E21-R94 PolarHBondContact O-NH1 2.93Å
22F87.6Confident87.8Confident10 Ų1077.3 Ų77.34%0.04436%0.364CS..  trans-107.2140.8179-67.5-70.9000111.1T20 E26 L27 W30 I86 L89 R94T20-F22 PolarHBondContact O-N 2.75Å; T20-F22 PolarHBondContact OG1-N 3.36Å; F22-E26 HydrophobicContact CB-CB 4.29Å; F22-E26 HydrophobicContact CD1-CB 4.08Å; F22-L27 HydrophobicContact CB-CD2 3.72Å; F22-L27 HydrophobicContact CB-CG 3.89Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.42Å; F22-W30 AromaticContact CE1-NE1 3.94Å; F22-I86 HydrophobicContact CD2-CD1 3.75Å; F22-I86 HydrophobicContact CD2-CG1 3.9Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.19Å; F22-I86 HydrophobicContact CG-CD1 4.47Å; F22-I86 HydrophobicContact CZ-CD1 4.35Å; F22-L89 HydrophobicContact CE2-CD2 4.46Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.15Å; F22-L89 HydrophobicContact CZ-CG 4.15Å; F22-R94 VanDerWaalsContact CD1-NH1 3.3Å; F22-R94 VanDerWaalsContact CE1-CZ 3.45Å
23N89.5Confident87.8Confident82 Ų8275.9 Ų75.944%0.43936%0.361SS..  trans-83.2165.5172.666.761.1000111.8H25 E26 L27N23-H25 PolarHBondContact O-N 3.38Å; N23-H25 VanDerWaalsContact O-N 3.12Å; N23-H25 WeakPolarHBondContact OD1-CA 3.38Å; N23-H25 VanDerWaalsContact OD1-CB 3.3Å; N23-H25 WeakPolarHBondContact OD1-CB 3.46Å; N23-H25 PolarHBondContact OD1-N 3.37Å; N23-E26 PolarHBondContact N-OE2 3.34Å; N23-E26 VanDerWaalsContact N-OE2 3.17Å; N23-E26 PolarHBondContact ND2-OE2 3.15Å; N23-E26 VanDerWaalsContact ND2-OE2 3.12Å; N23-E26 PolarHBondContact O-N 2.94Å; N23-E26 VanDerWaalsContact O-N 3.1Å; N23-E26 PolarHBondContact OD1-N 3.29Å; N23-L27 WeakPolarHBondContact O-CG 3.41Å; N23-L27 PolarHBondContact O-N 3.31Å
24E88.9Confident87.7Confident97 Ų9775.9 Ų75.945%0.45336%0.361SS..Hα-helixtrans-55.3-33.6-178.3179.7175.8167.500113.7M13 V17 K28M13-E24 HydrophobicContact CE-CG 4.06Å; M13-E24 HydrophobicContact CG-CB 4.41Å; M13-E24 HydrophobicContact CG-CG 3.8Å; M13-E24 HydrophobicContact SD-CB 4.32Å; M13-E24 HydrophobicContact SD-CG 3.81Å; V17-E24 HydrophobicContact CG2-CB 4.43Å; E24-K28 HydrophobicContact CG-CD 4.37Å; E24-K28 VanDerWaalsContact O-CG 3.3Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.43Å; E24-K28 VanDerWaalsContact O-N 3.13Å; E24-K28 WeakPolarHBondContact OE1-CE 3.41Å; E24-K28 IonicContact OE1-NZ 3.79Å; E24-K28 PolarHBondContact OE1-NZ 2.98Å
25H88.7Confident87.6Confident123 Ų12371.1 Ų71.157%0.56934%0.34SS*.Hα-helixtrans-69-46.1178.4-172.978.7000111.4N23 K28 Q29N23-H25 PolarHBondContact O-N 3.38Å; N23-H25 VanDerWaalsContact O-N 3.12Å; N23-H25 WeakPolarHBondContact OD1-CA 3.38Å; N23-H25 VanDerWaalsContact OD1-CB 3.3Å; N23-H25 WeakPolarHBondContact OD1-CB 3.46Å; N23-H25 PolarHBondContact OD1-N 3.37Å; H25-K28 PolarHBondContact O-N 2.8Å; H25-Q29 PolarHBondContact NE2-NE2 3.07Å; H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.38Å; H25-Q29 VanDerWaalsContact O-N 3.17Å
26E88.9Confident87.5Confident46 Ų4676.6 Ų76.622%0.21536%0.361CS..Hα-helixtrans-62.2-45176.4-66.7178.4125.400111.3F22 N23 K28 Q29 W30 R94F22-E26 HydrophobicContact CB-CB 4.29Å; F22-E26 HydrophobicContact CD1-CB 4.08Å; N23-E26 PolarHBondContact N-OE2 3.34Å; N23-E26 VanDerWaalsContact N-OE2 3.17Å; N23-E26 PolarHBondContact ND2-OE2 3.15Å; N23-E26 VanDerWaalsContact ND2-OE2 3.12Å; N23-E26 PolarHBondContact O-N 2.94Å; N23-E26 VanDerWaalsContact O-N 3.1Å; N23-E26 PolarHBondContact OD1-N 3.29Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.18Å; E26-Q29 WeakPolarHBondContact O-CB 3.18Å; E26-Q29 PolarHBondContact O-N 3.25Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; E26-W30 PolarHBondContact O-N 3.48Å; E26-R94 IonicContact OE1-CZ 3.3Å; E26-R94 IonicContact OE1-NH1 3.5Å; E26-R94 PolarHBondContact OE1-NH1 3.34Å; E26-R94 IonicContact OE1-NH2 3.85Å; E26-R94 PolarHBondContact OE1-NH2 2.65Å; E26-R94 IonicContact OE2-CZ 2.91Å; E26-R94 IonicContact OE2-NH1 3.76Å; E26-R94 PolarHBondContact OE2-NH1 2.94Å; E26-R94 IonicContact OE2-NH2 2.79Å
27L89.1Confident87Confident0 Ų081.8 Ų81.80%039%0.389CS..Hα-helixtrans-58.4-41.8177.7-69.4174.3000111.9M13 L16 V17 F22 N23 Q29 W30 Y31 I86M13-L27 HydrophobicContact SD-CB 3.84Å; M13-L27 HydrophobicContact SD-CD1 3.74Å; M13-L27 HydrophobicContact SD-CG 4.47Å; L16-L27 HydrophobicContact CB-CD1 3.71Å; L16-L27 HydrophobicContact CB-CD2 4.33Å; V17-L27 HydrophobicContact CG2-CD1 3.55Å; F22-L27 HydrophobicContact CB-CD2 3.72Å; F22-L27 HydrophobicContact CB-CG 3.89Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.42Å; N23-L27 WeakPolarHBondContact O-CG 3.41Å; N23-L27 PolarHBondContact O-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.04Å; L27-W30 PolarHBondContact O-N 2.91Å; L27-Y31 VanDerWaalsContact O-CB 3.24Å; L27-Y31 WeakPolarHBondContact O-CB 3.33Å; L27-Y31 PolarHBondContact O-N 2.84Å; L27-I86 HydrophobicContact CD2-CD1 4.28Å; L27-I86 HydrophobicContact CD2-CG1 3.5Å; L27-I86 VanDerWaalsContact CD2-CG1 3.5Å; L27-I86 HydrophobicContact CD2-CG2 4.44Å
28K88.2Confident86.7Confident107 Ų10778.9 Ų78.947%0.46537%0.371SS..Hα-helixtrans-64-38.3175.3-74.7172.6-174.6168.50112.6M13 E24 H25 E26 K32M13-K28 HydrophobicContact CE-CD 4.43Å; M13-K28 HydrophobicContact CE-CG 3.72Å; E24-K28 HydrophobicContact CG-CD 4.37Å; E24-K28 VanDerWaalsContact O-CG 3.3Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.43Å; E24-K28 VanDerWaalsContact O-N 3.13Å; E24-K28 WeakPolarHBondContact OE1-CE 3.41Å; E24-K28 IonicContact OE1-NZ 3.79Å; E24-K28 PolarHBondContact OE1-NZ 2.98Å; H25-K28 PolarHBondContact O-N 2.8Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.18Å; K28-K32 WeakPolarHBondContact O-CB 3.4Å; K28-K32 PolarHBondContact O-N 2.83Å; K28-K32 VanDerWaalsContact O-N 3.07Å
29Q88.5Confident86.3Confident122 Ų12275.7 Ų75.757%0.5737%0.369SS*.Hα-helixtrans-67.6-47.9177.5-69.7-173.6-4.900111.2H25 E26 L27 Y31 K32 G33H25-Q29 PolarHBondContact NE2-NE2 3.07Å; H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.38Å; H25-Q29 VanDerWaalsContact O-N 3.17Å; E26-Q29 WeakPolarHBondContact O-CB 3.18Å; E26-Q29 PolarHBondContact O-N 3.25Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; L27-Q29 PolarHBondContact O-N 3.04Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-Y31 PolarHBondContact O-N 2.59Å; Q29-K32 PolarHBondContact O-N 3.45Å; Q29-G33 PolarHBondContact O-N 2.7Å
30W88.4Confident86.3Confident105 Ų10576.6 Ų76.640%0.39838%0.377SS..Hα-helixtrans-59.1-44.8175.2-83.2112.8000111.8F22 E26 L27 K32 G33 F34 F82 F85 I86 L89F22-W30 AromaticContact CE1-NE1 3.94Å; E26-W30 PolarHBondContact O-N 3.48Å; L27-W30 PolarHBondContact O-N 2.91Å; W30-K32 VanDerWaalsContact C-N 3.31Å; W30-K32 PolarHBondContact O-N 3.08Å; W30-G33 PolarHBondContact O-N 3.43Å; W30-F34 WeakPolarHBondContact O-CB 3.35Å; W30-F34 PolarHBondContact O-N 2.63Å; W30-F82 HydrophobicContact CB-CE2 4.03Å; W30-F82 HydrophobicContact CB-CZ 4.08Å; W30-F85 AromaticContact CE3-CE1 3.88Å; W30-F85 HydrophobicContact CE3-CE1 3.88Å; W30-F85 HydrophobicContact CE3-CZ 4.32Å; W30-F85 HydrophobicContact CZ3-CE1 4.18Å; W30-F85 HydrophobicContact CZ3-CZ 4.14Å; W30-I86 HydrophobicContact CB-CD1 3.97Å; W30-I86 HydrophobicContact CD2-CD1 4.39Å; W30-I86 HydrophobicContact CG-CD1 3.82Å; W30-L89 HydrophobicContact CD2-CD2 4.01Å; W30-L89 HydrophobicContact CE3-CD2 4.17Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.52Å; W30-L89 HydrophobicContact CZ3-CD2 4.02Å
31Y87.7Confident86.1Confident41 Ų4177.2 Ų77.216%0.16139%0.386CS..Hα-helixtrans-60.7-41.2177.8-172.5-115.5000112.4L8 L27 Q29 F34 L35 F82L8-Y31 HydrophobicContact CD1-CD1 4.09Å; L8-Y31 HydrophobicContact CD1-CD2 4.1Å; L8-Y31 HydrophobicContact CD1-CG 3.73Å; L8-Y31 HydrophobicContact CD2-CD2 3.81Å; L8-Y31 HydrophobicContact CD2-CE1 4.49Å; L8-Y31 HydrophobicContact CD2-CE2 3.76Å; L8-Y31 HydrophobicContact CD2-CG 4.21Å; L8-Y31 HydrophobicContact CG-CD1 3.79Å; L8-Y31 HydrophobicContact CG-CD2 3.88Å; L8-Y31 HydrophobicContact CG-CE1 3.95Å; L8-Y31 HydrophobicContact CG-CE2 4.04Å; L8-Y31 HydrophobicContact CG-CG 3.74Å; L27-Y31 VanDerWaalsContact O-CB 3.24Å; L27-Y31 WeakPolarHBondContact O-CB 3.33Å; L27-Y31 PolarHBondContact O-N 2.84Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-Y31 PolarHBondContact O-N 2.59Å; Y31-F34 PolarHBondContact O-N 3.04Å; Y31-L35 HydrophobicContact CD1-CD1 3.99Å; Y31-L35 HydrophobicContact CE1-CD1 3.43Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.43Å; Y31-L35 HydrophobicContact CE1-CG 4.24Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.27Å; Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.89Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.49Å; Y31-F82 HydrophobicContact CD2-CD1 3.49Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.49Å; Y31-F82 AromaticContact CD2-CD2 3.78Å; Y31-F82 HydrophobicContact CD2-CD2 3.78Å; Y31-F82 AromaticContact CD2-CE1 3.76Å; Y31-F82 HydrophobicContact CD2-CE1 3.76Å; Y31-F82 HydrophobicContact CD2-CE2 4.06Å; Y31-F82 AromaticContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CG 3.48Å; Y31-F82 VanDerWaalsContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CZ 4.05Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.12Å; Y31-F82 HydrophobicContact CE2-CG 4.04Å; Y31-F82 HydrophobicContact CG-CD1 4.4Å; Y31-F82 HydrophobicContact CG-CE1 4.26Å; Y31-F82 HydrophobicContact CG-CZ 4.33Å
32K87Confident86.1Confident163 Ų16376.9 Ų76.971%0.70938%0.379SS*.Hα-helixtrans-66.4-38.9176.7-171.3179.8179-176.80112K28 Q29 W30 K36K28-K32 WeakPolarHBondContact O-CB 3.4Å; K28-K32 PolarHBondContact O-N 2.83Å; K28-K32 VanDerWaalsContact O-N 3.07Å; Q29-K32 PolarHBondContact O-N 3.45Å; W30-K32 VanDerWaalsContact C-N 3.31Å; W30-K32 PolarHBondContact O-N 3.08Å; K32-K36 WeakPolarHBondContact O-CB 3.38Å; K32-K36 PolarHBondContact O-N 2.96Å
33G85.7Confident86.1Confident29 Ų2976.6 Ų76.630%0.29938%0.378SS..Hα-helixtrans-64.1-49.4173.200000111.4Q29 W30 L35 K36 D37Q29-G33 PolarHBondContact O-N 2.7Å; W30-G33 PolarHBondContact O-N 3.43Å; G33-L35 PolarHBondContact O-N 2.79Å; G33-K36 WeakPolarHBondContact O-CA 3.15Å; G33-K36 WeakPolarHBondContact O-CB 3.49Å; G33-K36 PolarHBondContact O-N 3.34Å; G33-D37 PolarHBondContact O-N 3.3Å
34F84.8Confident86.2Confident13 Ų1375.4 Ų75.46%0.05737%0.371CS..Hα-helixtrans-56.6-46.8178.8-171.4-92.9000112.1W30 Y31 K36 D37 C38 L43 F82 F85W30-F34 WeakPolarHBondContact O-CB 3.35Å; W30-F34 PolarHBondContact O-N 2.63Å; Y31-F34 PolarHBondContact O-N 3.04Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.29Å; F34-D37 PolarHBondContact O-N 2.95Å; F34-C38 HydrophobicContact CE1-CB 4.29Å; F34-C38 WeakPolarHBondContact O-CA 3.34Å; F34-C38 VanDerWaalsContact O-CB 3.29Å; F34-C38 WeakPolarHBondContact O-CB 3.48Å; F34-C38 PolarHBondContact O-N 3.44Å; F34-L43 HydrophobicContact CE2-CB 4.39Å; F34-L43 HydrophobicContact CZ-CB 4.16Å; F34-F82 HydrophobicContact CB-CD2 3.81Å; F34-F82 HydrophobicContact CB-CE2 4.14Å; F34-F82 HydrophobicContact CD1-CB 4.16Å; F34-F82 HydrophobicContact CD1-CD2 4.04Å; F34-F82 HydrophobicContact CD2-CD2 4.28Å; F34-F82 HydrophobicContact CE1-CB 4.19Å; F34-F82 AromaticContact CG-CD2 3.79Å; F34-F82 HydrophobicContact CG-CD2 3.79Å; F34-F85 HydrophobicContact CD2-CB 4.39Å; F34-F85 AromaticContact CD2-CD1 3.9Å; F34-F85 HydrophobicContact CD2-CD1 3.9Å; F34-F85 HydrophobicContact CD2-CE1 4.33Å; F34-F85 HydrophobicContact CD2-CG 4Å; F34-F85 HydrophobicContact CE2-CB 3.96Å; F34-F85 HydrophobicContact CE2-CD1 4.29Å; F34-F85 HydrophobicContact CE2-CD2 4.32Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å
35L85.8Confident86Confident44 Ų4473 Ų7323%0.2336%0.362CS..Hα-helixtrans-69-23.9176.1-72.6-178.1000114.2Y31 G33 C38 P39Y31-L35 HydrophobicContact CD1-CD1 3.99Å; Y31-L35 HydrophobicContact CE1-CD1 3.43Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.43Å; Y31-L35 HydrophobicContact CE1-CG 4.24Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.27Å; Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.89Å; G33-L35 PolarHBondContact O-N 2.79Å; L35-C38 CarbonylContact O-C 3.58Å; L35-P39 WeakPolarHBondContact O-CA 3.42Å
36K84.8Confident85.9Confident171 Ų17172.4 Ų72.474%0.74336%0.362SS*.Hα-helixtrans-72.6-41.3176-177-171.6173.2-1650110.6K32 G33 F34K32-K36 WeakPolarHBondContact O-CB 3.38Å; K32-K36 PolarHBondContact O-N 2.96Å; G33-K36 WeakPolarHBondContact O-CA 3.15Å; G33-K36 WeakPolarHBondContact O-CB 3.49Å; G33-K36 PolarHBondContact O-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.29Å
37D78.3Confident85.8Confident110 Ų11073 Ų7359%0.58837%0.365SS*.Hα-helixtrans-84.8-29.2-179.2-61.5-33.5000111.7G33 F34G33-D37 PolarHBondContact O-N 3.3Å; F34-D37 PolarHBondContact O-N 2.95Å
38C81.3Confident85.7Confident4 Ų473.4 Ų73.43%0.02737%0.367CS..  trans-127.882.1-179.7-47.10000110.2F34 L35 T40 G41 L43F34-C38 HydrophobicContact CE1-CB 4.29Å; F34-C38 WeakPolarHBondContact O-CA 3.34Å; F34-C38 VanDerWaalsContact O-CB 3.29Å; F34-C38 WeakPolarHBondContact O-CB 3.48Å; F34-C38 PolarHBondContact O-N 3.44Å; L35-C38 CarbonylContact O-C 3.58Å; C38-T40 PolarHBondContact O-N 2.87Å; C38-T40 VanDerWaalsContact O-N 3.09Å; C38-G41 PolarHBondContact O-N 3.12Å; C38-L43 WeakPolarHBondContact SG-CD1 3.14Å
39P81.5Confident85.4Confident110 Ų11070.3 Ų70.371%0.71435%0.354SS*.THydrogen-bonded Turntrans-61.2-22.4-175.7-23.734.1000114.5L35 G41L35-P39 WeakPolarHBondContact O-CA 3.42Å; P39-G41 VanDerWaalsContact C-N 3.26Å; P39-G41 PolarHBondContact O-N 3.04Å
40T83.7Confident85.1Confident103 Ų10370.3 Ų70.363%0.63235%0.354SS*.THydrogen-bonded Turntrans-70.8-18.4174.749.70000112.9C38 R42C38-T40 PolarHBondContact O-N 2.87Å; C38-T40 VanDerWaalsContact O-N 3.09Å; T40-R42 PolarHBondContact O-N 3.04Å; T40-R42 PolarHBondContact OG1-N 3.44Å; T40-R42 PolarHBondContact OG1-O 2.89Å
41G83.8Confident84.7Confident21 Ų2167.7 Ų67.722%0.21635%0.348CS..SBendtrans71.910.6-172.700000114.2C38 P39C38-G41 PolarHBondContact O-N 3.12Å; P39-G41 VanDerWaalsContact C-N 3.26Å; P39-G41 PolarHBondContact O-N 3.04Å
42R86.9Confident84Confident114 Ų11467.9 Ų67.943%0.4335%0.348SS..EExtended strand (participates in β ladder)trans-139.1140176.1-72.5178.9175.5-101.8-2.1108.3T40 D77 T79T40-R42 PolarHBondContact O-N 3.04Å; T40-R42 PolarHBondContact OG1-N 3.44Å; T40-R42 PolarHBondContact OG1-O 2.89Å; R42-D77 IonicContact CZ-OD2 3.21Å; R42-D77 IonicContact NH1-OD1 2.78Å; R42-D77 IonicContact NH1-OD2 2.75Å; R42-D77 PolarHBondContact NH1-OD2 3.39Å; R42-D77 IonicContact NH2-OD2 2.78Å; R42-T79 PolarHBondContact NH1-OG1 3.12Å
43L87.6Confident83.3Confident4 Ų463.2 Ų63.22%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-111.1117.4179.7-176.9109.6000109.2F34 C38 E47 F48 L51 F69 T79 I80F34-L43 HydrophobicContact CE2-CB 4.39Å; F34-L43 HydrophobicContact CZ-CB 4.16Å; C38-L43 WeakPolarHBondContact SG-CD1 3.14Å; L43-E47 WeakPolarHBondContact CA-OE2 3.38Å; L43-E47 HydrophobicContact CD1-CB 3.81Å; L43-E47 HydrophobicContact CG-CB 3.99Å; L43-F48 HydrophobicContact CD2-CB 3.43Å; L43-F48 VanDerWaalsContact CD2-CB 3.43Å; L43-F48 HydrophobicContact CD2-CD2 3.3Å; L43-F48 HydrophobicContact CD2-CE2 4.35Å; L43-F48 HydrophobicContact CD2-CG 3.76Å; L43-F48 HydrophobicContact CG-CB 4.34Å; L43-L51 HydrophobicContact CD1-CD1 3.65Å; L43-F69 WeakPolarHBondContact O-CE2 3.3Å; L43-T79 CarbonylContact O-C 3.59Å; L43-T79 WeakPolarHBondContact O-CA 3.42Å; L43-I80 HydrophobicContact CB-CB 4.39Å; L43-I80 HydrophobicContact CD2-CB 4.5Å; L43-I80 HydrophobicContact CD2-CD1 4.24Å; L43-I80 PolarHBondContact N-O 2.95Å; L43-I80 PolarHBondContact O-N 3.1Å
44N89.8Confident82.7Confident56 Ų5669.2 Ų69.230%0.29935%0.351SS..EExtended strand (participates in β ladder)trans-83.7172.5175.264.953000111.8D46 E47 F48 F69N44-D46 PolarHBondContact O-N 2.89Å; N44-D46 WeakPolarHBondContact OD1-CB 3.41Å; N44-D46 PolarHBondContact OD1-N 3.49Å; N44-D46 VanDerWaalsContact OD1-N 3.12Å; N44-E47 PolarHBondContact N-OE2 2.9Å; N44-E47 PolarHBondContact ND2-OE2 3.48Å; N44-E47 VanDerWaalsContact ND2-OE2 3.08Å; N44-E47 PolarHBondContact O-N 3.32Å; N44-E47 WeakPolarHBondContact OD1-CG 3.33Å; N44-E47 PolarHBondContact OD1-N 3.46Å; N44-F48 PolarHBondContact O-N 3.35Å; N44-F69 VanDerWaalsContact C-CE2 3.5Å
45L86.3Confident82Confident48 Ų4875.9 Ų75.925%0.25138%0.381SS..Hα-helixtrans-58.6-43.5-178.2178.161.2000112.8E47 F48 Q49 Q66 F69L45-E47 PolarHBondContact O-N 2.86Å; L45-F48 PolarHBondContact O-N 3.36Å; L45-Q49 HydrophobicContact CD1-CG 4.25Å; L45-Q49 WeakPolarHBondContact O-CB 3.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.46Å; L45-Q49 PolarHBondContact O-N 3.44Å; L45-Q66 HydrophobicContact CD1-CB 4.17Å; L45-Q66 HydrophobicContact CD1-CG 4.2Å; L45-Q66 HydrophobicContact CD2-CG 4.16Å; L45-F69 HydrophobicContact CB-CD2 4.38Å; L45-F69 HydrophobicContact CB-CE1 4.5Å; L45-F69 HydrophobicContact CB-CE2 4.32Å; L45-F69 HydrophobicContact CB-CG 4.5Å; L45-F69 HydrophobicContact CB-CZ 4.37Å; L45-F69 HydrophobicContact CD1-CB 3.7Å; L45-F69 HydrophobicContact CD1-CD1 4.19Å; L45-F69 HydrophobicContact CD1-CD2 4.07Å; L45-F69 HydrophobicContact CD1-CG 3.72Å
46D86.5Confident81.1Confident109 Ų10976.7 Ų76.758%0.58338%0.382SS*.Hα-helixtrans-62.7-43.5179.3-69.6-74.2000111.6N44 Q49 Q50N44-D46 PolarHBondContact O-N 2.89Å; N44-D46 WeakPolarHBondContact OD1-CB 3.41Å; N44-D46 PolarHBondContact OD1-N 3.49Å; N44-D46 VanDerWaalsContact OD1-N 3.12Å; D46-Q49 PolarHBondContact O-N 3.43Å; D46-Q50 WeakPolarHBondContact O-CG 3.37Å; D46-Q50 PolarHBondContact O-N 3.1Å
47E86.6Confident80.2Confident59 Ų5972.5 Ų72.528%0.27637%0.373SS..Hα-helixtrans-63.5-42.5176.1-71.3169.3155.200111.2L43 N44 L45 Q50 L51L43-E47 WeakPolarHBondContact CA-OE2 3.38Å; L43-E47 HydrophobicContact CD1-CB 3.81Å; L43-E47 HydrophobicContact CG-CB 3.99Å; N44-E47 PolarHBondContact N-OE2 2.9Å; N44-E47 PolarHBondContact ND2-OE2 3.48Å; N44-E47 VanDerWaalsContact ND2-OE2 3.08Å; N44-E47 PolarHBondContact O-N 3.32Å; N44-E47 WeakPolarHBondContact OD1-CG 3.33Å; N44-E47 PolarHBondContact OD1-N 3.46Å; L45-E47 PolarHBondContact O-N 2.86Å; E47-Q50 PolarHBondContact O-N 3.17Å; E47-L51 WeakPolarHBondContact O-CG 3.44Å; E47-L51 PolarHBondContact O-N 2.93Å; E47-L51 VanDerWaalsContact O-N 3.07Å
48F85.6Confident79.6Confident9 Ų977.7 Ų77.74%0.03939%0.386CS..Hα-helixtrans-62.9-44.3175.8-165.4-114.7000112.3L43 N44 L45 Q50 L51 Y52 A65 A68 F69 F72 I80L43-F48 HydrophobicContact CD2-CB 3.43Å; L43-F48 VanDerWaalsContact CD2-CB 3.43Å; L43-F48 HydrophobicContact CD2-CD2 3.3Å; L43-F48 HydrophobicContact CD2-CE2 4.35Å; L43-F48 HydrophobicContact CD2-CG 3.76Å; L43-F48 HydrophobicContact CG-CB 4.34Å; N44-F48 PolarHBondContact O-N 3.35Å; L45-F48 PolarHBondContact O-N 3.36Å; F48-Q50 VanDerWaalsContact C-N 3.34Å; F48-Q50 PolarHBondContact O-N 3.08Å; F48-L51 WeakPolarHBondContact O-CB 3.08Å; F48-L51 PolarHBondContact O-N 3.5Å; F48-Y52 HydrophobicContact CD1-CD2 4.09Å; F48-Y52 HydrophobicContact CD1-CE2 4.13Å; F48-Y52 HydrophobicContact CD2-CE2 4.38Å; F48-Y52 AromaticContact CE1-CD2 3.87Å; F48-Y52 HydrophobicContact CE1-CD2 3.87Å; F48-Y52 AromaticContact CE1-CE2 3.45Å; F48-Y52 HydrophobicContact CE1-CE2 3.45Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.45Å; F48-Y52 HydrophobicContact CE2-CD2 4.37Å; F48-Y52 AromaticContact CE2-CE2 3.8Å; F48-Y52 HydrophobicContact CE2-CE2 3.8Å; F48-Y52 HydrophobicContact CG-CD2 4.46Å; F48-Y52 HydrophobicContact CZ-CD2 4.08Å; F48-Y52 AromaticContact CZ-CE2 3.31Å; F48-Y52 HydrophobicContact CZ-CE2 3.31Å; F48-Y52 PolarHBondContact O-N 3.22Å; F48-A65 HydrophobicContact CD1-CB 4.18Å; F48-A65 WeakPolarHBondContact CD1-O 3.4Å; F48-A65 HydrophobicContact CE1-CB 4.44Å; F48-A65 VanDerWaalsContact CE1-O 3.26Å; F48-A65 WeakPolarHBondContact CE1-O 3.32Å; F48-A68 HydrophobicContact CE1-CB 3.91Å; F48-A68 HydrophobicContact CZ-CB 4.27Å; F48-F69 HydrophobicContact CB-CD2 3.74Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.84Å; F48-F69 AromaticContact CD1-CD2 3.95Å; F48-F69 HydrophobicContact CD1-CD2 3.95Å; F48-F69 HydrophobicContact CD1-CG 4.42Å; F48-F69 HydrophobicContact CE1-CB 4.04Å; F48-F69 AromaticContact CG-CD2 3.89Å; F48-F69 HydrophobicContact CG-CD2 3.89Å; F48-F72 HydrophobicContact CZ-CE2 4.5Å; F48-I80 HydrophobicContact CD2-CD1 4.15Å; F48-I80 HydrophobicContact CE2-CD1 4.16Å; F48-I80 HydrophobicContact CG-CD1 4.47Å
49Q83.6Confident79.1Confident41 Ų4178.7 Ų78.719%0.19240%0.397CS..Hα-helixtrans-60.8-43.5176.2-77.1-178.9-14.700111.2L45 D46 L51 Y52 V53 S62 A65L45-Q49 HydrophobicContact CD1-CG 4.25Å; L45-Q49 WeakPolarHBondContact O-CB 3.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.46Å; L45-Q49 PolarHBondContact O-N 3.44Å; D46-Q49 PolarHBondContact O-N 3.43Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.85Å; Q49-Y52 PolarHBondContact O-N 3.13Å; Q49-Y52 VanDerWaalsContact O-N 3.12Å; Q49-V53 WeakPolarHBondContact O-CG2 3.3Å; Q49-V53 PolarHBondContact O-N 3.48Å; Q49-S62 PolarHBondContact NE2-O 2.62Å; Q49-A65 HydrophobicContact CG-CB 3.85Å
50Q82.2Confident78.9Confident122 Ų12277 Ų7757%0.5738%0.382SS*.Hα-helixtrans-62-35.1176.4-73.9179.732.500112.9D46 E47 F48 K54D46-Q50 WeakPolarHBondContact O-CG 3.37Å; D46-Q50 PolarHBondContact O-N 3.1Å; E47-Q50 PolarHBondContact O-N 3.17Å; F48-Q50 VanDerWaalsContact C-N 3.34Å; F48-Q50 PolarHBondContact O-N 3.08Å; Q50-K54 WeakPolarHBondContact O-CG 3.48Å; Q50-K54 PolarHBondContact O-N 3.13Å
51L79.1Confident78.6Confident50 Ų5072.1 Ų72.126%0.26235%0.352SS..Hα-helixtrans-63.9-48172.1-68.1175.9000110.7L43 E47 F48 Q49 V53 K54 F55L43-L51 HydrophobicContact CD1-CD1 3.65Å; E47-L51 WeakPolarHBondContact O-CG 3.44Å; E47-L51 PolarHBondContact O-N 2.93Å; E47-L51 VanDerWaalsContact O-N 3.07Å; F48-L51 WeakPolarHBondContact O-CB 3.08Å; F48-L51 PolarHBondContact O-N 3.5Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.85Å; L51-V53 PolarHBondContact O-N 2.8Å; L51-K54 WeakPolarHBondContact O-CB 3.34Å; L51-K54 PolarHBondContact O-N 3.36Å; L51-K54 VanDerWaalsContact O-N 3.15Å; L51-F55 WeakPolarHBondContact O-CD2 3.49Å; L51-F55 PolarHBondContact O-N 3.14Å
52Y72.8Confident78.5Confident45 Ų4573.1 Ų73.118%0.17636%0.355CS..Hα-helixtrans-61-41.3178.9-96.4-102.6000113.2F48 Q49 K54 F55 F56 F64 A65 M131F48-Y52 HydrophobicContact CD1-CD2 4.09Å; F48-Y52 HydrophobicContact CD1-CE2 4.13Å; F48-Y52 HydrophobicContact CD2-CE2 4.38Å; F48-Y52 AromaticContact CE1-CD2 3.87Å; F48-Y52 HydrophobicContact CE1-CD2 3.87Å; F48-Y52 AromaticContact CE1-CE2 3.45Å; F48-Y52 HydrophobicContact CE1-CE2 3.45Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.45Å; F48-Y52 HydrophobicContact CE2-CD2 4.37Å; F48-Y52 AromaticContact CE2-CE2 3.8Å; F48-Y52 HydrophobicContact CE2-CE2 3.8Å; F48-Y52 HydrophobicContact CG-CD2 4.46Å; F48-Y52 HydrophobicContact CZ-CD2 4.08Å; F48-Y52 AromaticContact CZ-CE2 3.31Å; F48-Y52 HydrophobicContact CZ-CE2 3.31Å; F48-Y52 PolarHBondContact O-N 3.22Å; Q49-Y52 PolarHBondContact O-N 3.13Å; Q49-Y52 VanDerWaalsContact O-N 3.12Å; Y52-K54 VanDerWaalsContact C-N 3.27Å; Y52-K54 PolarHBondContact O-N 2.96Å; Y52-F55 PolarHBondContact O-N 2.78Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; Y52-F56 HydrophobicContact CD1-CD2 4.26Å; Y52-F56 HydrophobicContact CD1-CE2 4.35Å; Y52-F56 WeakPolarHBondContact O-CD2 3.24Å; Y52-F56 PolarHBondContact O-N 2.88Å; Y52-F64 HydrophobicContact CD1-CD1 4.29Å; Y52-F64 AromaticContact CE1-CD1 3.78Å; Y52-F64 HydrophobicContact CE1-CD1 3.78Å; Y52-F64 AromaticContact CE1-CE1 3.82Å; Y52-F64 HydrophobicContact CE1-CE1 3.82Å; Y52-A65 HydrophobicContact CD1-CB 4.2Å; Y52-A65 HydrophobicContact CD2-CB 4.12Å; Y52-A65 HydrophobicContact CG-CB 3.78Å; Y52-M131 HydrophobicContact CD1-CE 3.83Å; Y52-M131 HydrophobicContact CE1-CE 3.95Å
53V73.8Confident78.3Confident65 Ų6570.9 Ų70.939%0.39435%0.349SS..Hα-helixtrans-61.9-34.4176.21720000111.7Q49 L51 F55 F56 P57Q49-V53 WeakPolarHBondContact O-CG2 3.3Å; Q49-V53 PolarHBondContact O-N 3.48Å; L51-V53 PolarHBondContact O-N 2.8Å; V53-F55 VanDerWaalsContact C-N 3.33Å; V53-F55 PolarHBondContact O-N 3.3Å; V53-F56 CarbonylContact O-C 3.52Å; V53-F56 VanDerWaalsContact O-C 3.28Å; V53-F56 PolarHBondContact O-N 2.92Å; V53-P57 VanDerWaalsContact O-CA 3.29Å; V53-P57 WeakPolarHBondContact O-CA 3.21Å
54K72.9Confident78.1Confident155 Ų15571.7 Ų71.767%0.67435%0.352SS*.Hα-helixtrans-66.6-34.3175-71.6173-175.3171.50112.6Q50 L51 Y52Q50-K54 WeakPolarHBondContact O-CG 3.48Å; Q50-K54 PolarHBondContact O-N 3.13Å; L51-K54 WeakPolarHBondContact O-CB 3.34Å; L51-K54 PolarHBondContact O-N 3.36Å; L51-K54 VanDerWaalsContact O-N 3.15Å; Y52-K54 VanDerWaalsContact C-N 3.27Å; Y52-K54 PolarHBondContact O-N 2.96Å
55F68.4Low77.8Confident153 Ų15369 Ų6967%0.67134%0.338SS*.Hα-helixtrans-79.4-31176.8-70-70.5000112.7L51 Y52 V53 P57L51-F55 WeakPolarHBondContact O-CD2 3.49Å; L51-F55 PolarHBondContact O-N 3.14Å; Y52-F55 PolarHBondContact O-N 2.78Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; V53-F55 VanDerWaalsContact C-N 3.33Å; V53-F55 PolarHBondContact O-N 3.3Å; F55-P57 WeakPolarHBondContact O-CD 3.25Å
56F66.8Low77.8Confident61 Ų6171.3 Ų71.327%0.26835%0.347SS..  trans-124.165.5-177.8-60.4-78.2000111.4Y52 V53 Y58 A61 M131 L189Y52-F56 HydrophobicContact CD1-CD2 4.26Å; Y52-F56 HydrophobicContact CD1-CE2 4.35Å; Y52-F56 WeakPolarHBondContact O-CD2 3.24Å; Y52-F56 PolarHBondContact O-N 2.88Å; V53-F56 CarbonylContact O-C 3.52Å; V53-F56 VanDerWaalsContact O-C 3.28Å; V53-F56 PolarHBondContact O-N 2.92Å; F56-Y58 PolarHBondContact O-N 3.02Å; F56-Y58 VanDerWaalsContact O-N 3.1Å; F56-A61 HydrophobicContact CB-CB 4.34Å; F56-M131 HydrophobicContact CB-CE 4.44Å; F56-M131 HydrophobicContact CB-CG 4.47Å; F56-M131 HydrophobicContact CD1-CE 3.91Å; F56-M131 HydrophobicContact CD2-CE 3.13Å; F56-M131 HydrophobicContact CE1-CE 3.92Å; F56-M131 HydrophobicContact CE2-CE 3.1Å; F56-M131 HydrophobicContact CG-CE 3.54Å; F56-M131 HydrophobicContact CG-CG 4.34Å; F56-M131 HydrophobicContact CZ-CE 3.52Å; F56-L189 HydrophobicContact CE1-CD1 3.61Å; F56-L189 HydrophobicContact CZ-CD1 4.04Å
57P67.4Low77.8Confident84 Ų8466.8 Ų66.855%0.54532%0.322SS..THydrogen-bonded Turntrans-70.5-9.2-17128-35.6000114.4V53 F55V53-P57 VanDerWaalsContact O-CA 3.29Å; V53-P57 WeakPolarHBondContact O-CA 3.21Å; F55-P57 WeakPolarHBondContact O-CD 3.25Å
58Y66.1Low77.6Confident218 Ų21864 Ų6486%0.85531%0.309SS*.THydrogen-bonded Turntrans-103-4.5-173.4-58.6-72.5000114.3F56F56-Y58 PolarHBondContact O-N 3.02Å; F56-Y58 VanDerWaalsContact O-N 3.1Å
59G69.2Low77.7Confident25 Ų2564.1 Ų64.126%0.25831%0.31SS..SBendtrans-134.6177.5179.300000113A61 K130 M131G59-A61 PolarHBondContact O-N 3.02Å; G59-K130 CarbonylContact C-O 3.28Å; G59-K130 WeakPolarHBondContact CA-O 3.49Å; G59-M131 WeakPolarHBondContact CA-O 3.49Å
60D78.6Confident77.9Confident76 Ų7666.1 Ų66.141%0.40632%0.316SS..  trans-94.190.1174.5-179.68.3000109.5S62 K130 M131D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.38Å; D60-S62 PolarHBondContact OD1-N 3.13Å; D60-S62 PolarHBondContact OD1-OG 3.2Å; D60-K130 HydrophobicContact CB-CB 4.32Å; D60-K130 PolarHBondContact N-O 3.34Å; D60-K130 CarbonylContact O-C 3.55Å; D60-M131 WeakPolarHBondContact O-CA 3.38Å; D60-M131 PolarHBondContact O-N 2.96Å
61A76.4Confident77.9Confident0 Ų060.6 Ų60.60%029%0.29CS..  trans-78.5-2.4177.600000113.3F56 G59 K63 F64 A65 M131F56-A61 HydrophobicContact CB-CB 4.34Å; G59-A61 PolarHBondContact O-N 3.02Å; A61-K63 PolarHBondContact O-N 3.3Å; A61-F64 PolarHBondContact O-N 3.34Å; A61-A65 WeakPolarHBondContact O-CB 3.17Å; A61-A65 PolarHBondContact O-N 2.86Å; A61-M131 HydrophobicContact CB-CB 4.43Å; A61-M131 HydrophobicContact CB-CG 3.82Å; A61-M131 HydrophobicContact CB-SD 4.46Å
62S81.9Confident78.2Confident41 Ų4159 Ų5929%0.28728%0.281SS..Hα-helixtrans-62.7-46.5-167.1-43.70000112.4Q49 D60 Q66Q49-S62 PolarHBondContact NE2-O 2.62Å; D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.38Å; D60-S62 PolarHBondContact OD1-N 3.13Å; D60-S62 PolarHBondContact OD1-OG 3.2Å; S62-Q66 PolarHBondContact O-N 3.01Å
63K82.8Confident78.9Confident67 Ų6757.8 Ų57.829%0.29128%0.278SS..Hα-helixtrans-64.3-47.7176.4-85.7-161164.2-147.20111.9A61 A65 Q66 H67 E123 A127A61-K63 PolarHBondContact O-N 3.3Å; K63-A65 VanDerWaalsContact C-N 3.34Å; K63-A65 PolarHBondContact O-N 3.04Å; K63-Q66 WeakPolarHBondContact O-CB 3.43Å; K63-Q66 PolarHBondContact O-N 3.24Å; K63-Q66 VanDerWaalsContact O-N 3.13Å; K63-H67 PolarHBondContact O-CD2 3.09Å; K63-H67 PolarHBondContact O-N 3.45Å; K63-H67 VanDerWaalsContact O-N 3.09Å; K63-E123 IonicContact NZ-OE1 3.99Å; K63-E123 PolarHBondContact NZ-OE1 3.42Å; K63-A127 HydrophobicContact CB-CB 3.82Å
64F82.9Confident79.4Confident22 Ų2261.2 Ų61.210%0.09629%0.287CS..Hα-helixtrans-62.5-43.9179.6-177.1-92.1000111.5Y52 A61 Q66 H67 A68 M107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.29Å; Y52-F64 AromaticContact CE1-CD1 3.78Å; Y52-F64 HydrophobicContact CE1-CD1 3.78Å; Y52-F64 AromaticContact CE1-CE1 3.82Å; Y52-F64 HydrophobicContact CE1-CE1 3.82Å; A61-F64 PolarHBondContact O-N 3.34Å; F64-Q66 VanDerWaalsContact C-N 3.25Å; F64-Q66 PolarHBondContact O-N 3.14Å; F64-H67 PolarHBondContact O-N 2.79Å; F64-A68 HydrophobicContact CE1-CB 4.32Å; F64-A68 WeakPolarHBondContact O-CB 3.43Å; F64-A68 PolarHBondContact O-N 3.45Å; F64-M107 HydrophobicContact CE2-CE 4.48Å; F64-M107 HydrophobicContact CE2-SD 3.79Å; F64-M107 HydrophobicContact CZ-CE 4.02Å; F64-M107 HydrophobicContact CZ-SD 3.82Å; F64-A127 HydrophobicContact CB-CB 4.29Å; F64-I128 HydrophobicContact CD2-CG1 3.61Å; F64-I128 HydrophobicContact CE2-CD1 4.18Å; F64-I128 HydrophobicContact CE2-CG1 3.69Å; F64-M131 HydrophobicContact CB-CB 4.34Å; F64-M131 HydrophobicContact CB-SD 3.65Å; F64-M131 HydrophobicContact CD1-CE 3.93Å; F64-M131 HydrophobicContact CD1-SD 3.27Å; F64-M131 WeakPolarHBondContact CD1-SD 3.26Å; F64-M131 HydrophobicContact CD2-SD 4.2Å; F64-M131 HydrophobicContact CE1-CE 4.25Å; F64-M131 HydrophobicContact CE1-SD 3.95Å; F64-M131 HydrophobicContact CG-SD 3.41Å; F64-M131 WeakPolarHBondContact CG-SD 3.2Å
65A84.2Confident80Confident0 Ų058 Ų580%028%0.277CS..Hα-helixtrans-60.5-35.2175.300000111.7F48 Q49 Y52 A61 K63 F69F48-A65 HydrophobicContact CD1-CB 4.18Å; F48-A65 WeakPolarHBondContact CD1-O 3.4Å; F48-A65 HydrophobicContact CE1-CB 4.44Å; F48-A65 VanDerWaalsContact CE1-O 3.26Å; F48-A65 WeakPolarHBondContact CE1-O 3.32Å; Q49-A65 HydrophobicContact CG-CB 3.85Å; Y52-A65 HydrophobicContact CD1-CB 4.2Å; Y52-A65 HydrophobicContact CD2-CB 4.12Å; Y52-A65 HydrophobicContact CG-CB 3.78Å; A61-A65 WeakPolarHBondContact O-CB 3.17Å; A61-A65 PolarHBondContact O-N 2.86Å; K63-A65 VanDerWaalsContact C-N 3.34Å; K63-A65 PolarHBondContact O-N 3.04Å; A65-F69 WeakPolarHBondContact O-CB 3.48Å; A65-F69 PolarHBondContact O-N 2.83Å
66Q86.8Confident80.7Confident96 Ų9653.5 Ų53.545%0.44928%0.275SS..Hα-helixtrans-65.4-44.9174.1-173.4178.119.200112.6L45 S62 K63 F64 F69 R70L45-Q66 HydrophobicContact CD1-CB 4.17Å; L45-Q66 HydrophobicContact CD1-CG 4.2Å; L45-Q66 HydrophobicContact CD2-CG 4.16Å; S62-Q66 PolarHBondContact O-N 3.01Å; K63-Q66 WeakPolarHBondContact O-CB 3.43Å; K63-Q66 PolarHBondContact O-N 3.24Å; K63-Q66 VanDerWaalsContact O-N 3.13Å; F64-Q66 VanDerWaalsContact C-N 3.25Å; F64-Q66 PolarHBondContact O-N 3.14Å; Q66-F69 WeakPolarHBondContact O-CB 3.23Å; Q66-F69 PolarHBondContact O-N 3.19Å; Q66-R70 PolarHBondContact O-N 3.16Å; Q66-R70 VanDerWaalsContact O-N 3.13Å
67H84.9Confident81.8Confident13 Ų1354 Ų546%0.0628%0.28CS..Hα-helixtrans-66.1-43175.9-62.6-61.3000111.7K63 F64 F69 R70 T71 I124K63-H67 PolarHBondContact O-CD2 3.09Å; K63-H67 PolarHBondContact O-N 3.45Å; K63-H67 VanDerWaalsContact O-N 3.09Å; F64-H67 PolarHBondContact O-N 2.79Å; H67-F69 VanDerWaalsContact C-N 3.32Å; H67-F69 PolarHBondContact O-N 2.96Å; H67-R70 WeakPolarHBondContact O-CB 3.42Å; H67-R70 PolarHBondContact O-N 2.97Å; H67-T71 PolarHBondContact O-N 2.66Å; H67-I124 HydrophobicContact CB-CD1 3.65Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.43Å
68A83.9Confident82.8Confident0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-60.3-42.8173.600000111.2F48 F64 R70 T71 F72 M107F48-A68 HydrophobicContact CE1-CB 3.91Å; F48-A68 HydrophobicContact CZ-CB 4.27Å; F64-A68 HydrophobicContact CE1-CB 4.32Å; F64-A68 WeakPolarHBondContact O-CB 3.43Å; F64-A68 PolarHBondContact O-N 3.45Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.36Å; A68-T71 PolarHBondContact O-N 3.03Å; A68-T71 PolarHBondContact O-OG1 2.99Å; A68-F72 WeakPolarHBondContact O-CD2 3.2Å; A68-F72 PolarHBondContact O-N 3.48Å; A68-F72 VanDerWaalsContact O-N 3.14Å; A68-M107 HydrophobicContact CB-CE 4.01Å
69F87.3Confident83.9Confident13 Ų1342.9 Ų42.96%0.05724%0.241CC..Hα-helixtrans-55.3-47.8176.5-174.4-85.6000111.6L43 N44 L45 F48 A65 Q66 H67 T71 F72 D73 G78 I80L43-F69 WeakPolarHBondContact O-CE2 3.3Å; N44-F69 VanDerWaalsContact C-CE2 3.5Å; L45-F69 HydrophobicContact CB-CD2 4.38Å; L45-F69 HydrophobicContact CB-CE1 4.5Å; L45-F69 HydrophobicContact CB-CE2 4.32Å; L45-F69 HydrophobicContact CB-CG 4.5Å; L45-F69 HydrophobicContact CB-CZ 4.37Å; L45-F69 HydrophobicContact CD1-CB 3.7Å; L45-F69 HydrophobicContact CD1-CD1 4.19Å; L45-F69 HydrophobicContact CD1-CD2 4.07Å; L45-F69 HydrophobicContact CD1-CG 3.72Å; F48-F69 HydrophobicContact CB-CD2 3.74Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.84Å; F48-F69 AromaticContact CD1-CD2 3.95Å; F48-F69 HydrophobicContact CD1-CD2 3.95Å; F48-F69 HydrophobicContact CD1-CG 4.42Å; F48-F69 HydrophobicContact CE1-CB 4.04Å; F48-F69 AromaticContact CG-CD2 3.89Å; F48-F69 HydrophobicContact CG-CD2 3.89Å; A65-F69 WeakPolarHBondContact O-CB 3.48Å; A65-F69 PolarHBondContact O-N 2.83Å; Q66-F69 WeakPolarHBondContact O-CB 3.23Å; Q66-F69 PolarHBondContact O-N 3.19Å; H67-F69 VanDerWaalsContact C-N 3.32Å; H67-F69 PolarHBondContact O-N 2.96Å; F69-T71 PolarHBondContact O-N 3.47Å; F69-F72 PolarHBondContact O-N 2.78Å; F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.97Å; F69-D73 WeakPolarHBondContact O-CB 3.38Å; F69-D73 PolarHBondContact O-N 3.16Å; F69-G78 WeakPolarHBondContact CZ-O 3.27Å; F69-I80 HydrophobicContact CD2-CD1 3.28Å; F69-I80 HydrophobicContact CD2-CG1 3.91Å; F69-I80 HydrophobicContact CE2-CB 4.42Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.96Å; F69-I80 HydrophobicContact CZ-CD1 4.22Å; F69-I80 HydrophobicContact CZ-CG1 3.91Å
70R86.8Confident84.9Confident83 Ų8341.7 Ų41.731%0.31323%0.229SC..Hα-helixtrans-56.8-37.5176.3-172.7-170.868.1-142.1-7.8112.5Q66 H67 A68 F72 N106 M107 D109 L110Q66-R70 PolarHBondContact O-N 3.16Å; Q66-R70 VanDerWaalsContact O-N 3.13Å; H67-R70 WeakPolarHBondContact O-CB 3.42Å; H67-R70 PolarHBondContact O-N 2.97Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.36Å; R70-F72 VanDerWaalsContact C-N 3.3Å; R70-F72 PolarHBondContact O-N 3.46Å; R70-N106 PolarHBondContact NH2-O 3.23Å; R70-M107 PolarHBondContact NH2-O 3.31Å; R70-D109 PolarHBondContact NH2-O 2.96Å; R70-L110 VanDerWaalsContact NH1-CD2 3.34Å; R70-L110 PolarHBondContact NH1-O 3.36Å
71T83.4Confident85.5Confident5 Ų540 Ų403%0.03122%0.22CC..Hα-helixtrans-73.2-23.9178.864.80000114H67 A68 F69 K74 N106 M107H67-T71 PolarHBondContact O-N 2.66Å; A68-T71 PolarHBondContact O-N 3.03Å; A68-T71 PolarHBondContact O-OG1 2.99Å; F69-T71 PolarHBondContact O-N 3.47Å; T71-K74 WeakPolarHBondContact O-CE 3.31Å; T71-K74 PolarHBondContact O-NZ 2.92Å; T71-N106 HydrophobicContact CG2-CB 4.48Å; T71-N106 WeakPolarHBondContact CG2-O 3.46Å; T71-M107 HydrophobicContact CG2-CB 3.97Å
72F85.7Confident86Confident16 Ų1640.5 Ų40.57%0.0722%0.222CC..Hα-helixtrans-84.6-43.4176.9-82.5-123.8000111.2F48 A68 F69 R70 K74 I80 E84 F85 A88 W103F48-F72 HydrophobicContact CZ-CE2 4.5Å; A68-F72 WeakPolarHBondContact O-CD2 3.2Å; A68-F72 PolarHBondContact O-N 3.48Å; A68-F72 VanDerWaalsContact O-N 3.14Å; F69-F72 PolarHBondContact O-N 2.78Å; R70-F72 VanDerWaalsContact C-N 3.3Å; R70-F72 PolarHBondContact O-N 3.46Å; F72-K74 PolarHBondContact O-N 2.81Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.86Å; F72-I80 HydrophobicContact CB-CG2 4.44Å; F72-I80 HydrophobicContact CD1-CD1 4.27Å; F72-I80 HydrophobicContact CG-CD1 4.14Å; F72-E84 WeakPolarHBondContact O-CB 3.38Å; F72-F85 HydrophobicContact CE1-CD2 4.36Å; F72-A88 HydrophobicContact CD1-CB 3.38Å; F72-A88 HydrophobicContact CD2-CB 3.92Å; F72-A88 HydrophobicContact CE1-CB 3.35Å; F72-A88 HydrophobicContact CE2-CB 3.92Å; F72-A88 HydrophobicContact CG-CB 3.68Å; F72-A88 HydrophobicContact CZ-CB 3.63Å; F72-W103 HydrophobicContact CD2-CZ2 4.49Å; F72-W103 AromaticContact CE2-CZ2 3.84Å; F72-W103 HydrophobicContact CE2-CZ2 3.84Å
73D87.9Confident86.3Confident21 Ų2143.5 Ų43.511%0.11223%0.227CC..  trans-7189.9176.1-179.85.2000110.1F69 N75 G76 D77 G78 I80F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.97Å; F69-D73 WeakPolarHBondContact O-CB 3.38Å; F69-D73 PolarHBondContact O-N 3.16Å; D73-N75 PolarHBondContact OD1-OD1 3.47Å; D73-G76 VanDerWaalsContact OD1-CA 3.25Å; D73-G76 WeakPolarHBondContact OD1-CA 3.18Å; D73-G76 PolarHBondContact OD1-N 2.96Å; D73-D77 PolarHBondContact OD1-N 2.9Å; D73-G78 WeakPolarHBondContact OD2-CA 3.35Å; D73-G78 PolarHBondContact OD2-N 2.97Å; D73-I80 HydrophobicContact CB-CG1 4.35Å
74K82.5Confident86.7Confident136 Ų13641 Ų4159%0.59122%0.216SC*.SBendtrans-82.8-28-175.5-73.2-62.5-179.5-163.60112.1T71 F72 E84T71-K74 WeakPolarHBondContact O-CE 3.31Å; T71-K74 PolarHBondContact O-NZ 2.92Å; F72-K74 PolarHBondContact O-N 2.81Å; K74-E84 PolarHBondContact N-OE1 2.91Å
75N85.4Confident86.9Confident87 Ų8741.8 Ų41.847%0.46522%0.22SC..SBendtrans-88.3-11.9-179.370.619.4000112.5D73 D77 E84D73-N75 PolarHBondContact OD1-OD1 3.47Å; N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact ND2-OD2 2.89Å; N75-D77 VanDerWaalsContact ND2-OD2 3.08Å; N75-D77 PolarHBondContact O-N 2.9Å; N75-D77 WeakPolarHBondContact OD1-CB 3.27Å; N75-D77 PolarHBondContact OD1-N 3.28Å; N75-D77 PolarHBondContact OD1-OD1 3.16Å; N75-D77 PolarHBondContact OD1-OD2 3.37Å; N75-E84 PolarHBondContact N-OE1 2.79Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å
76G84.7Confident87Confident60 Ų6041.8 Ų41.862%0.61922%0.22SC*.  trans70.124.2178.400000113.1D73 G78D73-G76 VanDerWaalsContact OD1-CA 3.25Å; D73-G76 WeakPolarHBondContact OD1-CA 3.18Å; D73-G76 PolarHBondContact OD1-N 2.96Å; G76-G78 PolarHBondContact O-N 2.96Å
77D89.2Confident87Confident70 Ų7038.4 Ų38.437%0.37421%0.207SC..SBendtrans-83.9-1-177.281.615.5000113.2R42 D73 N75 T79R42-D77 IonicContact CZ-OD2 3.21Å; R42-D77 IonicContact NH1-OD1 2.78Å; R42-D77 IonicContact NH1-OD2 2.75Å; R42-D77 PolarHBondContact NH1-OD2 3.39Å; R42-D77 IonicContact NH2-OD2 2.78Å; D73-D77 PolarHBondContact OD1-N 2.9Å; N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact ND2-OD2 2.89Å; N75-D77 VanDerWaalsContact ND2-OD2 3.08Å; N75-D77 PolarHBondContact O-N 2.9Å; N75-D77 WeakPolarHBondContact OD1-CB 3.27Å; N75-D77 PolarHBondContact OD1-N 3.28Å; N75-D77 PolarHBondContact OD1-OD1 3.16Å; N75-D77 PolarHBondContact OD1-OD2 3.37Å; D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 WeakPolarHBondContact OD1-CA 3.19Å; D77-T79 WeakPolarHBondContact OD1-CB 3.42Å; D77-T79 PolarHBondContact OD1-N 3.1Å; D77-T79 PolarHBondContact OD1-OG1 3.01Å
78G87.9Confident87Confident39 Ų3938.1 Ų38.140%0.40221%0.206SC..SBendtrans799.1179.900000113.2F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.27Å; D73-G78 WeakPolarHBondContact OD2-CA 3.35Å; D73-G78 PolarHBondContact OD2-N 2.97Å; G76-G78 PolarHBondContact O-N 2.96Å
79T90.3Very high87Confident30 Ų3039.9 Ų39.918%0.18422%0.216CC..EExtended strand (participates in β ladder)trans-136145.8174.967.20000110.8R42 L43 D77R42-T79 PolarHBondContact NH1-OG1 3.12Å; L43-T79 CarbonylContact O-C 3.59Å; L43-T79 WeakPolarHBondContact O-CA 3.42Å; D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 WeakPolarHBondContact OD1-CA 3.19Å; D77-T79 WeakPolarHBondContact OD1-CB 3.42Å; D77-T79 PolarHBondContact OD1-N 3.1Å; D77-T79 PolarHBondContact OD1-OG1 3.01Å
80I89.9Confident86.9Confident0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-96.2116.8172.1-64.4166.5000107.8L43 F48 F69 F72 D73 E84 F85L43-I80 HydrophobicContact CB-CB 4.39Å; L43-I80 HydrophobicContact CD2-CB 4.5Å; L43-I80 HydrophobicContact CD2-CD1 4.24Å; L43-I80 PolarHBondContact N-O 2.95Å; L43-I80 PolarHBondContact O-N 3.1Å; F48-I80 HydrophobicContact CD2-CD1 4.15Å; F48-I80 HydrophobicContact CE2-CD1 4.16Å; F48-I80 HydrophobicContact CG-CD1 4.47Å; F69-I80 HydrophobicContact CD2-CD1 3.28Å; F69-I80 HydrophobicContact CD2-CG1 3.91Å; F69-I80 HydrophobicContact CE2-CB 4.42Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.96Å; F69-I80 HydrophobicContact CZ-CD1 4.22Å; F69-I80 HydrophobicContact CZ-CG1 3.91Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.86Å; F72-I80 HydrophobicContact CB-CG2 4.44Å; F72-I80 HydrophobicContact CD1-CD1 4.27Å; F72-I80 HydrophobicContact CG-CD1 4.14Å; D73-I80 HydrophobicContact CB-CG1 4.35Å; I80-E84 WeakPolarHBondContact CA-OE2 3.37Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; I80-F85 HydrophobicContact CG2-CB 3.87Å
81D89.8Confident86.7Confident40 Ų4037.8 Ų37.821%0.21421%0.211CC..EExtended strand (participates in β ladder)trans-81.5171.7170.577.631.6000112.1R83 E84 F85D81-R83 PolarHBondContact O-N 3Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.42Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.39Å; D81-R83 PolarHBondContact OD1-N 3.38Å; D81-E84 PolarHBondContact N-OE2 3.47Å; D81-E84 PolarHBondContact O-N 2.86Å; D81-E84 PolarHBondContact OD1-N 2.84Å; D81-F85 WeakPolarHBondContact O-CB 3.31Å; D81-F85 PolarHBondContact O-N 2.89Å
82F88.1Confident86.5Confident12 Ų1239.7 Ų39.75%0.05322%0.223CC..Hα-helixtrans-60.8-34.7-179.5178.6-108.8000113.3L8 L16 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CD1 4.49Å; L8-F82 HydrophobicContact CD1-CE1 3.9Å; L8-F82 HydrophobicContact CD2-CD1 3.88Å; L8-F82 HydrophobicContact CD2-CE1 4.11Å; L16-F82 HydrophobicContact CD1-CD1 4.01Å; L16-F82 HydrophobicContact CD1-CE1 3.73Å; W30-F82 HydrophobicContact CB-CE2 4.03Å; W30-F82 HydrophobicContact CB-CZ 4.08Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.49Å; Y31-F82 HydrophobicContact CD2-CD1 3.49Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.49Å; Y31-F82 AromaticContact CD2-CD2 3.78Å; Y31-F82 HydrophobicContact CD2-CD2 3.78Å; Y31-F82 AromaticContact CD2-CE1 3.76Å; Y31-F82 HydrophobicContact CD2-CE1 3.76Å; Y31-F82 HydrophobicContact CD2-CE2 4.06Å; Y31-F82 AromaticContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CG 3.48Å; Y31-F82 VanDerWaalsContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CZ 4.05Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.12Å; Y31-F82 HydrophobicContact CE2-CG 4.04Å; Y31-F82 HydrophobicContact CG-CD1 4.4Å; Y31-F82 HydrophobicContact CG-CE1 4.26Å; Y31-F82 HydrophobicContact CG-CZ 4.33Å; F34-F82 HydrophobicContact CB-CD2 3.81Å; F34-F82 HydrophobicContact CB-CE2 4.14Å; F34-F82 HydrophobicContact CD1-CB 4.16Å; F34-F82 HydrophobicContact CD1-CD2 4.04Å; F34-F82 HydrophobicContact CD2-CD2 4.28Å; F34-F82 HydrophobicContact CE1-CB 4.19Å; F34-F82 AromaticContact CG-CD2 3.79Å; F34-F82 HydrophobicContact CG-CD2 3.79Å; F82-F85 HydrophobicContact CD2-CD1 4.49Å; F82-I86 HydrophobicContact CE1-CB 4.48Å; F82-I86 HydrophobicContact CE1-CG2 4.29Å; F82-I86 HydrophobicContact CE2-CB 4.42Å; F82-I86 HydrophobicContact CZ-CB 4.22Å; F82-I86 HydrophobicContact CZ-CG1 4.3Å; F82-I86 WeakPolarHBondContact O-CB 3.35Å; F82-I86 VanDerWaalsContact O-CG2 3.27Å; F82-I86 WeakPolarHBondContact O-CG2 3.38Å; F82-I86 PolarHBondContact O-N 3.34Å
83R88.6Confident86Confident103 Ų10341.6 Ų41.639%0.38924%0.239SC..Hα-helixtrans-68-45.7-179.9174.3176.7-166.4-74.9-3.2110D15 L16 D81 I86 C87D15-R83 IonicContact OD1-NH2 2.62Å; D15-R83 IonicContact OD2-CZ 2.7Å; D15-R83 VanDerWaalsContact OD2-CZ 3.3Å; D15-R83 IonicContact OD2-NE 2.8Å; D15-R83 PolarHBondContact OD2-NE 3.45Å; D15-R83 IonicContact OD2-NH2 3.68Å; D15-R83 PolarHBondContact OD2-NH2 3.19Å; L16-R83 HydrophobicContact CD2-CB 3.99Å; L16-R83 HydrophobicContact CD2-CG 3.72Å; D81-R83 PolarHBondContact O-N 3Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.42Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.39Å; D81-R83 PolarHBondContact OD1-N 3.38Å; R83-I86 WeakPolarHBondContact O-CG2 3.3Å; R83-I86 PolarHBondContact O-N 3.31Å; R83-C87 WeakPolarHBondContact O-CB 3.46Å; R83-C87 PolarHBondContact O-N 3.49Å; R83-C87 PolarHBondContact O-SG 2.95Å
84E89.5Confident85.7Confident14 Ų1445.9 Ų45.97%0.06525%0.253CS..Hα-helixtrans-60.9-46.8175.6-73.1174.1140.100111.6F72 K74 N75 I80 D81 I86 A88F72-E84 WeakPolarHBondContact O-CB 3.38Å; K74-E84 PolarHBondContact N-OE1 2.91Å; N75-E84 PolarHBondContact N-OE1 2.79Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å; I80-E84 WeakPolarHBondContact CA-OE2 3.37Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; D81-E84 PolarHBondContact N-OE2 3.47Å; D81-E84 PolarHBondContact O-N 2.86Å; D81-E84 PolarHBondContact OD1-N 2.84Å; E84-I86 PolarHBondContact O-N 3.45Å; E84-A88 WeakPolarHBondContact O-CB 3.49Å; E84-A88 PolarHBondContact O-N 3.25Å
85F87.6Confident85.5Confident40 Ų4039.8 Ų39.818%0.17523%0.229CC..Hα-helixtrans-56.7-51.9176.1175.4-100.6000112.4W30 F34 F72 I80 D81 F82 A88 L89W30-F85 AromaticContact CE3-CE1 3.88Å; W30-F85 HydrophobicContact CE3-CE1 3.88Å; W30-F85 HydrophobicContact CE3-CZ 4.32Å; W30-F85 HydrophobicContact CZ3-CE1 4.18Å; W30-F85 HydrophobicContact CZ3-CZ 4.14Å; F34-F85 HydrophobicContact CD2-CB 4.39Å; F34-F85 AromaticContact CD2-CD1 3.9Å; F34-F85 HydrophobicContact CD2-CD1 3.9Å; F34-F85 HydrophobicContact CD2-CE1 4.33Å; F34-F85 HydrophobicContact CD2-CG 4Å; F34-F85 HydrophobicContact CE2-CB 3.96Å; F34-F85 HydrophobicContact CE2-CD1 4.29Å; F34-F85 HydrophobicContact CE2-CD2 4.32Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å; F72-F85 HydrophobicContact CE1-CD2 4.36Å; I80-F85 HydrophobicContact CG2-CB 3.87Å; D81-F85 WeakPolarHBondContact O-CB 3.31Å; D81-F85 PolarHBondContact O-N 2.89Å; F82-F85 HydrophobicContact CD2-CD1 4.49Å; F85-A88 PolarHBondContact O-N 2.75Å; F85-L89 HydrophobicContact CE1-CD2 4.28Å; F85-L89 HydrophobicContact CZ-CD2 4.42Å; F85-L89 WeakPolarHBondContact O-CB 3.45Å; F85-L89 PolarHBondContact O-N 2.84Å
86I87.4Confident85.4Confident0 Ų038.5 Ų38.50%023%0.226CC..Hα-helixtrans-74.8-32.5-173.7-160.558.8000112.4L16 T20 F22 L27 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.44Å; L16-I86 HydrophobicContact CD2-CG2 3.61Å; T20-I86 HydrophobicContact CG2-CG2 4.27Å; F22-I86 HydrophobicContact CD2-CD1 3.75Å; F22-I86 HydrophobicContact CD2-CG1 3.9Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.19Å; F22-I86 HydrophobicContact CG-CD1 4.47Å; F22-I86 HydrophobicContact CZ-CD1 4.35Å; L27-I86 HydrophobicContact CD2-CD1 4.28Å; L27-I86 HydrophobicContact CD2-CG1 3.5Å; L27-I86 VanDerWaalsContact CD2-CG1 3.5Å; L27-I86 HydrophobicContact CD2-CG2 4.44Å; W30-I86 HydrophobicContact CB-CD1 3.97Å; W30-I86 HydrophobicContact CD2-CD1 4.39Å; W30-I86 HydrophobicContact CG-CD1 3.82Å; F82-I86 HydrophobicContact CE1-CB 4.48Å; F82-I86 HydrophobicContact CE1-CG2 4.29Å; F82-I86 HydrophobicContact CE2-CB 4.42Å; F82-I86 HydrophobicContact CZ-CB 4.22Å; F82-I86 HydrophobicContact CZ-CG1 4.3Å; F82-I86 WeakPolarHBondContact O-CB 3.35Å; F82-I86 VanDerWaalsContact O-CG2 3.27Å; F82-I86 WeakPolarHBondContact O-CG2 3.38Å; F82-I86 PolarHBondContact O-N 3.34Å; R83-I86 WeakPolarHBondContact O-CG2 3.3Å; R83-I86 PolarHBondContact O-N 3.31Å; E84-I86 PolarHBondContact O-N 3.45Å; I86-L89 HydrophobicContact CD1-CD2 4.08Å; I86-L89 PolarHBondContact O-N 3.46Å; I86-S90 VanDerWaalsContact O-CB 3.3Å; I86-S90 WeakPolarHBondContact O-CB 3.48Å; I86-S90 PolarHBondContact O-N 3.4Å
87C86.7Confident85.2Confident25 Ų2540.4 Ų40.417%0.16922%0.218CC..Hα-helixtrans-64.6-46.6172.5-75.30000111.3R83 L89 S90 I91R83-C87 WeakPolarHBondContact O-CB 3.46Å; R83-C87 PolarHBondContact O-N 3.49Å; R83-C87 PolarHBondContact O-SG 2.95Å; C87-L89 VanDerWaalsContact C-N 3.35Å; C87-L89 PolarHBondContact O-N 3.33Å; C87-S90 WeakPolarHBondContact O-CB 3.43Å; C87-S90 PolarHBondContact O-N 2.96Å; C87-I91 WeakPolarHBondContact O-CG1 3.33Å; C87-I91 PolarHBondContact O-N 3.26Å
88A84.5Confident84.9Confident6 Ų641.7 Ų41.75%0.0522%0.222CC..Hα-helixtrans-63.7-41.3175.900000111.6F72 E84 F85 S90 I91 T92F72-A88 HydrophobicContact CD1-CB 3.38Å; F72-A88 HydrophobicContact CD2-CB 3.92Å; F72-A88 HydrophobicContact CE1-CB 3.35Å; F72-A88 HydrophobicContact CE2-CB 3.92Å; F72-A88 HydrophobicContact CG-CB 3.68Å; F72-A88 HydrophobicContact CZ-CB 3.63Å; E84-A88 WeakPolarHBondContact O-CB 3.49Å; E84-A88 PolarHBondContact O-N 3.25Å; F85-A88 PolarHBondContact O-N 2.75Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.88Å; A88-I91 PolarHBondContact O-N 3.31Å; A88-T92 WeakPolarHBondContact O-CG2 3.31Å; A88-T92 PolarHBondContact O-N 2.91Å; A88-T92 PolarHBondContact O-OG1 3.5Å
89L84.2Confident84.7Confident37 Ų3743.9 Ų43.919%0.19422%0.222CC..Hα-helixtrans-62.7-39.8174.6-172.863.8000111.8F22 W30 F85 I86 C87 T92 S93F22-L89 HydrophobicContact CE2-CD2 4.46Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.15Å; F22-L89 HydrophobicContact CZ-CG 4.15Å; W30-L89 HydrophobicContact CD2-CD2 4.01Å; W30-L89 HydrophobicContact CE3-CD2 4.17Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.52Å; W30-L89 HydrophobicContact CZ3-CD2 4.02Å; F85-L89 HydrophobicContact CE1-CD2 4.28Å; F85-L89 HydrophobicContact CZ-CD2 4.42Å; F85-L89 WeakPolarHBondContact O-CB 3.45Å; F85-L89 PolarHBondContact O-N 2.84Å; I86-L89 HydrophobicContact CD1-CD2 4.08Å; I86-L89 PolarHBondContact O-N 3.46Å; C87-L89 VanDerWaalsContact C-N 3.35Å; C87-L89 PolarHBondContact O-N 3.33Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-OG1 2.83Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.46Å; L89-S93 PolarHBondContact O-N 3.04Å; L89-S93 PolarHBondContact O-OG 3.25Å
90S85.1Confident84.3Confident6 Ų645.3 Ų45.34%0.04223%0.225CC..Hα-helixtrans-61.1-46.5176.6-175.90000111.3T20 E21 I86 C87 A88 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.43Å; E21-S90 PolarHBondContact N-OG 2.99Å; I86-S90 VanDerWaalsContact O-CB 3.3Å; I86-S90 WeakPolarHBondContact O-CB 3.48Å; I86-S90 PolarHBondContact O-N 3.4Å; C87-S90 WeakPolarHBondContact O-CB 3.43Å; C87-S90 PolarHBondContact O-N 2.96Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.88Å; S90-R94 CarbonylContact O-C 3.42Å; S90-R94 WeakPolarHBondContact O-CA 3.4Å; S90-R94 PolarHBondContact O-N 2.83Å; S90-G95 PolarHBondContact O-N 3.36Å
91I83Confident84Confident46 Ų4645.5 Ų45.524%0.23623%0.226CC..Hα-helixtrans-63.8-49.2179.3-67.8164.5000111.1C87 A88 G95 Q99 K100 W103C87-I91 WeakPolarHBondContact O-CG1 3.33Å; C87-I91 PolarHBondContact O-N 3.26Å; A88-I91 PolarHBondContact O-N 3.31Å; I91-G95 VanDerWaalsContact O-CA 3.25Å; I91-G95 WeakPolarHBondContact O-CA 3.42Å; I91-G95 PolarHBondContact O-N 3.2Å; I91-G95 VanDerWaalsContact O-N 3.08Å; I91-Q99 HydrophobicContact CG2-CB 4.06Å; I91-K100 WeakPolarHBondContact O-CE 3.4Å; I91-K100 WeakPolarHBondContact O-CG 3.49Å; I91-W103 HydrophobicContact CG2-CB 3.84Å; I91-W103 HydrophobicContact CG2-CG 4.24Å
92T78.1Confident83.8Confident45 Ų4545.9 Ų45.928%0.27623%0.228SC..Hα-helixtrans-68.3-38.3-176.150.60000112.6A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CG2 3.31Å; A88-T92 PolarHBondContact O-N 2.91Å; A88-T92 PolarHBondContact O-OG1 3.5Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-OG1 2.83Å; T92-K100 VanDerWaalsContact O-CE 3.23Å; T92-K100 WeakPolarHBondContact O-CE 3.04Å; T92-K100 PolarHBondContact O-NZ 3.45Å; T92-W103 HydrophobicContact CG2-CD2 3.87Å; T92-W103 HydrophobicContact CG2-CE3 3.93Å; T92-W103 HydrophobicContact CG2-CH2 3.86Å; T92-W103 HydrophobicContact CG2-CZ2 3.86Å; T92-W103 HydrophobicContact CG2-CZ3 3.91Å
93S75.8Confident83.6Confident57 Ų5747.5 Ų47.540%0.39923%0.234SC..Hα-helixtrans-84.8-56.5-179.763.80000113L89 K100L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.46Å; L89-S93 PolarHBondContact O-N 3.04Å; L89-S93 PolarHBondContact O-OG 3.25Å; S93-K100 PolarHBondContact O-NZ 2.87Å
94R81.3Confident83.3Confident111 Ų11143.3 Ų43.342%0.41922%0.221SC..Hα-helixtrans-113.6-5-167.9-64.4178.4-175.3-177.32.9114.1E21 F22 E26 S90E21-R94 HydrophobicContact CB-CB 3.64Å; E21-R94 HydrophobicContact CB-CG 4.35Å; E21-R94 HydrophobicContact CG-CB 4Å; E21-R94 WeakPolarHBondContact O-CD 3.4Å; E21-R94 PolarHBondContact O-NH1 2.93Å; F22-R94 VanDerWaalsContact CD1-NH1 3.3Å; F22-R94 VanDerWaalsContact CE1-CZ 3.45Å; E26-R94 IonicContact OE1-CZ 3.3Å; E26-R94 IonicContact OE1-NH1 3.5Å; E26-R94 PolarHBondContact OE1-NH1 3.34Å; E26-R94 IonicContact OE1-NH2 3.85Å; E26-R94 PolarHBondContact OE1-NH2 2.65Å; E26-R94 IonicContact OE2-CZ 2.91Å; E26-R94 IonicContact OE2-NH1 3.76Å; E26-R94 PolarHBondContact OE2-NH1 2.94Å; E26-R94 IonicContact OE2-NH2 2.79Å; S90-R94 CarbonylContact O-C 3.42Å; S90-R94 WeakPolarHBondContact O-CA 3.4Å; S90-R94 PolarHBondContact O-N 2.83Å
95G77.9Confident83.2Confident8 Ų842.8 Ų42.88%0.08222%0.219CC..  trans-62155.5-178.400000112.9S90 I91 K100S90-G95 PolarHBondContact O-N 3.36Å; I91-G95 VanDerWaalsContact O-CA 3.25Å; I91-G95 WeakPolarHBondContact O-CA 3.42Å; I91-G95 PolarHBondContact O-N 3.2Å; I91-G95 VanDerWaalsContact O-N 3.08Å; G95-K100 WeakPolarHBondContact O-CE 3.31Å
96S83.8Confident83.1Confident59 Ų5943.9 Ų43.941%0.41323%0.226SC..  trans-62.4160.7173.174.80000111.2E98 Q99 K100S96-E98 PolarHBondContact O-N 3.3Å; S96-Q99 PolarHBondContact O-N 2.94Å; S96-Q99 VanDerWaalsContact O-N 3.1Å; S96-Q99 WeakPolarHBondContact OG-CG 3.38Å; S96-Q99 PolarHBondContact OG-N 3.16Å; S96-Q99 PolarHBondContact OG-OE1 3.02Å; S96-K100 WeakPolarHBondContact O-CG 3.29Å; S96-K100 PolarHBondContact O-N 2.61Å
97F80.1Confident83Confident100 Ų10044.3 Ų44.344%0.43923%0.229SC..Hα-helixtrans-51.9-41.5175.1-179.4-106.7000111.9K100 L101 K176 V182F97-K100 PolarHBondContact O-N 3.49Å; F97-L101 HydrophobicContact CD1-CD1 3.83Å; F97-L101 HydrophobicContact CD1-CG 4.44Å; F97-L101 HydrophobicContact CE1-CD1 3.34Å; F97-L101 HydrophobicContact CE1-CG 4.15Å; F97-L101 HydrophobicContact CE2-CD1 4.5Å; F97-L101 HydrophobicContact CZ-CD1 3.73Å; F97-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.3Å; F97-L101 PolarHBondContact O-N 3.46Å; F97-K176 HydrophobicContact CE1-CG 4.09Å; F97-V182 HydrophobicContact CE2-CG1 4.31Å; F97-V182 HydrophobicContact CE2-CG2 4.26Å; F97-V182 HydrophobicContact CZ-CG2 4.1Å
98E83.3Confident83Confident98 Ų9843.3 Ų43.346%0.45822%0.221SC..Hα-helixtrans-68.2-40.9178.5-174.6171179.500113.1S96 K100 L101 N102 K172S96-E98 PolarHBondContact O-N 3.3Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 2.93Å; E98-L101 PolarHBondContact O-N 3.3Å; E98-N102 PolarHBondContact O-N 3.14Å; E98-N102 PolarHBondContact O-ND2 2.95Å; E98-K172 IonicContact OE1-NZ 3.72Å; E98-K172 PolarHBondContact OE1-NZ 2.95Å
99Q83.4Confident83.2Confident85 Ų8543.4 Ų43.440%0.39722%0.221SC..Hα-helixtrans-63-40.6175.8-72.4171.7-50.700111.3I91 S96 N102 W103I91-Q99 HydrophobicContact CG2-CB 4.06Å; S96-Q99 PolarHBondContact O-N 2.94Å; S96-Q99 VanDerWaalsContact O-N 3.1Å; S96-Q99 WeakPolarHBondContact OG-CG 3.38Å; S96-Q99 PolarHBondContact OG-N 3.16Å; S96-Q99 PolarHBondContact OG-OE1 3.02Å; Q99-N102 PolarHBondContact O-N 2.84Å; Q99-W103 WeakPolarHBondContact O-CB 3.43Å; Q99-W103 PolarHBondContact O-N 3.35Å
100K82.8Confident83.3Confident59 Ų5943.1 Ų43.126%0.25722%0.219SC..Hα-helixtrans-63.5-40.4175.3-69.6-179.3179-171.90111.8I91 T92 S93 G95 S96 F97 E98 W103 A104I91-K100 WeakPolarHBondContact O-CE 3.4Å; I91-K100 WeakPolarHBondContact O-CG 3.49Å; T92-K100 VanDerWaalsContact O-CE 3.23Å; T92-K100 WeakPolarHBondContact O-CE 3.04Å; T92-K100 PolarHBondContact O-NZ 3.45Å; S93-K100 PolarHBondContact O-NZ 2.87Å; G95-K100 WeakPolarHBondContact O-CE 3.31Å; S96-K100 WeakPolarHBondContact O-CG 3.29Å; S96-K100 PolarHBondContact O-N 2.61Å; F97-K100 PolarHBondContact O-N 3.49Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 2.93Å; K100-W103 PolarHBondContact O-N 2.88Å; K100-A104 WeakPolarHBondContact O-CB 3.4Å; K100-A104 PolarHBondContact O-N 3.12Å
101L82.7Confident83.5Confident5 Ų548 Ų483%0.02625%0.245CC..Hα-helixtrans-66.3-44.9175.3-73179.2000112.8F97 E98 W103 A104 F105 F171 K172 A175 V182F97-L101 HydrophobicContact CD1-CD1 3.83Å; F97-L101 HydrophobicContact CD1-CG 4.44Å; F97-L101 HydrophobicContact CE1-CD1 3.34Å; F97-L101 HydrophobicContact CE1-CG 4.15Å; F97-L101 HydrophobicContact CE2-CD1 4.5Å; F97-L101 HydrophobicContact CZ-CD1 3.73Å; F97-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.3Å; F97-L101 PolarHBondContact O-N 3.46Å; E98-L101 PolarHBondContact O-N 3.3Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 2.79Å; L101-A104 PolarHBondContact O-N 3.39Å; L101-F105 WeakPolarHBondContact O-CB 3.27Å; L101-F105 PolarHBondContact O-N 3.17Å; L101-F171 HydrophobicContact CB-CE1 4.39Å; L101-F171 HydrophobicContact CD2-CE1 3.97Å; L101-F171 WeakPolarHBondContact O-CE1 3.49Å; L101-K172 HydrophobicContact CD1-CG 4.41Å; L101-A175 HydrophobicContact CD1-CB 3.72Å; L101-A175 HydrophobicContact CD2-CB 3.48Å; L101-A175 VanDerWaalsContact CD2-CB 3.48Å; L101-A175 HydrophobicContact CG-CB 4.26Å; L101-V182 HydrophobicContact CD2-CG2 4.05Å
102N85.9Confident83.6Confident47 Ų4748.6 Ų48.625%0.25126%0.262SS..Hα-helixtrans-60.6-41175.5-70.5-30.7000111.3E98 Q99 F105 N106 K172E98-N102 PolarHBondContact O-N 3.14Å; E98-N102 PolarHBondContact O-ND2 2.95Å; Q99-N102 PolarHBondContact O-N 2.84Å; N102-F105 PolarHBondContact O-N 3.16Å; N102-N106 VanDerWaalsContact O-CG 3.22Å; N102-N106 PolarHBondContact O-N 2.82Å; N102-N106 VanDerWaalsContact O-N 3.12Å; N102-N106 PolarHBondContact O-ND2 2.98Å; N102-N106 VanDerWaalsContact O-ND2 3.15Å; N102-K172 WeakPolarHBondContact OD1-CE 3.27Å; N102-K172 PolarHBondContact OD1-NZ 2.72Å
103W83.4Confident84.1Confident47 Ų4750.5 Ų50.518%0.17827%0.271CS..Hα-helixtrans-66.6-43.2177.3-178.283.2000111.9F72 I91 T92 Q99 K100 L101 N106 M107F72-W103 HydrophobicContact CD2-CZ2 4.49Å; F72-W103 AromaticContact CE2-CZ2 3.84Å; F72-W103 HydrophobicContact CE2-CZ2 3.84Å; I91-W103 HydrophobicContact CG2-CB 3.84Å; I91-W103 HydrophobicContact CG2-CG 4.24Å; T92-W103 HydrophobicContact CG2-CD2 3.87Å; T92-W103 HydrophobicContact CG2-CE3 3.93Å; T92-W103 HydrophobicContact CG2-CH2 3.86Å; T92-W103 HydrophobicContact CG2-CZ2 3.86Å; T92-W103 HydrophobicContact CG2-CZ3 3.91Å; Q99-W103 WeakPolarHBondContact O-CB 3.43Å; Q99-W103 PolarHBondContact O-N 3.35Å; K100-W103 PolarHBondContact O-N 2.88Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 2.79Å; W103-N106 PolarHBondContact O-N 3.28Å; W103-M107 HydrophobicContact CH2-CE 3.15Å; W103-M107 HydrophobicContact CH2-SD 4.28Å; W103-M107 HydrophobicContact CZ2-CE 3.46Å; W103-M107 VanDerWaalsContact CZ2-CE 3.46Å; W103-M107 HydrophobicContact CZ3-CE 3.86Å; W103-M107 HydrophobicContact CZ3-SD 4.48Å; W103-M107 PolarHBondContact O-N 3.3Å
104A83.3Confident84.8Confident14 Ų1449.5 Ų49.512%0.11627%0.269CS..Hα-helixtrans-60-46.1173.700000111.1K100 L101 N106 M107 Y108 F171K100-A104 WeakPolarHBondContact O-CB 3.4Å; K100-A104 PolarHBondContact O-N 3.12Å; L101-A104 PolarHBondContact O-N 3.39Å; A104-N106 VanDerWaalsContact C-N 3.33Å; A104-N106 PolarHBondContact O-N 2.74Å; A104-M107 WeakPolarHBondContact O-CA 3.46Å; A104-M107 VanDerWaalsContact O-CB 3.25Å; A104-M107 WeakPolarHBondContact O-CB 3.49Å; A104-M107 PolarHBondContact O-N 3.34Å; A104-Y108 WeakPolarHBondContact O-CD2 3.46Å; A104-Y108 PolarHBondContact O-N 3.2Å; A104-F171 HydrophobicContact CB-CE1 4.34Å; A104-F171 HydrophobicContact CB-CZ 4.14Å
105F87Confident85.3Confident4 Ų447.6 Ų47.62%0.01826%0.264CS..Hα-helixtrans-53.4-49.9176.6-175.8-88.2000111.8L101 N102 M107 Y108 D109 G114 I116 L168 F171L101-F105 WeakPolarHBondContact O-CB 3.27Å; L101-F105 PolarHBondContact O-N 3.17Å; N102-F105 PolarHBondContact O-N 3.16Å; F105-M107 PolarHBondContact O-N 3.01Å; F105-M107 VanDerWaalsContact O-N 3.15Å; F105-Y108 PolarHBondContact O-N 3.28Å; F105-D109 HydrophobicContact CD1-CB 4.29Å; F105-D109 HydrophobicContact CE1-CB 3.95Å; F105-D109 PolarHBondContact O-N 3.44Å; F105-G114 VanDerWaalsContact CZ-O 3.29Å; F105-G114 WeakPolarHBondContact CZ-O 3.48Å; F105-I116 HydrophobicContact CD2-CD1 3.39Å; F105-I116 HydrophobicContact CD2-CG1 4.11Å; F105-I116 HydrophobicContact CE2-CD1 3.38Å; F105-I116 HydrophobicContact CE2-CG1 3.67Å; F105-I116 HydrophobicContact CG-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CD1 4.11Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; F105-L168 HydrophobicContact CB-CD1 3.65Å; F105-L168 HydrophobicContact CD1-CB 4.47Å; F105-L168 HydrophobicContact CD1-CD1 3.93Å; F105-L168 HydrophobicContact CD2-CB 4.28Å; F105-L168 HydrophobicContact CD2-CD1 3.79Å; F105-L168 HydrophobicContact CE1-CB 4.32Å; F105-L168 HydrophobicContact CE2-CB 4.11Å; F105-L168 HydrophobicContact CE2-CD1 4.46Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.49Å; F105-L168 VanDerWaalsContact CG-CD1 3.49Å; F105-L168 HydrophobicContact CZ-CB 4.14Å; F105-F171 HydrophobicContact CB-CD1 4.18Å; F105-F171 HydrophobicContact CB-CE1 4.18Å; F105-F171 HydrophobicContact CD2-CB 3.78Å; F105-F171 HydrophobicContact CD2-CD1 4.1Å; F105-F171 HydrophobicContact CD2-CD2 4.18Å; F105-F171 AromaticContact CD2-CG 3.78Å; F105-F171 HydrophobicContact CD2-CG 3.78Å; F105-F171 HydrophobicContact CE2-CB 4.18Å
106N86.3Confident86Confident62 Ų6247.2 Ų47.233%0.33226%0.26SS..Hα-helixtrans-63.9-19.9178-64.2-25.3000114R70 T71 N102 W103 A104R70-N106 PolarHBondContact NH2-O 3.23Å; T71-N106 HydrophobicContact CG2-CB 4.48Å; T71-N106 WeakPolarHBondContact CG2-O 3.46Å; N102-N106 VanDerWaalsContact O-CG 3.22Å; N102-N106 PolarHBondContact O-N 2.82Å; N102-N106 VanDerWaalsContact O-N 3.12Å; N102-N106 PolarHBondContact O-ND2 2.98Å; N102-N106 VanDerWaalsContact O-ND2 3.15Å; W103-N106 PolarHBondContact O-N 3.28Å; A104-N106 VanDerWaalsContact C-N 3.33Å; A104-N106 PolarHBondContact O-N 2.74Å
107M85.4Confident86.4Confident10 Ų1046.3 Ų46.35%0.04925%0.252CS..Hα-helixtrans-75-37.2172.6-179.3172.2-78.500111.3F64 A68 R70 T71 W103 A104 F105 I124F64-M107 HydrophobicContact CE2-CE 4.48Å; F64-M107 HydrophobicContact CE2-SD 3.79Å; F64-M107 HydrophobicContact CZ-CE 4.02Å; F64-M107 HydrophobicContact CZ-SD 3.82Å; A68-M107 HydrophobicContact CB-CE 4.01Å; R70-M107 PolarHBondContact NH2-O 3.31Å; T71-M107 HydrophobicContact CG2-CB 3.97Å; W103-M107 HydrophobicContact CH2-CE 3.15Å; W103-M107 HydrophobicContact CH2-SD 4.28Å; W103-M107 HydrophobicContact CZ2-CE 3.46Å; W103-M107 VanDerWaalsContact CZ2-CE 3.46Å; W103-M107 HydrophobicContact CZ3-CE 3.86Å; W103-M107 HydrophobicContact CZ3-SD 4.48Å; W103-M107 PolarHBondContact O-N 3.3Å; A104-M107 WeakPolarHBondContact O-CA 3.46Å; A104-M107 VanDerWaalsContact O-CB 3.25Å; A104-M107 WeakPolarHBondContact O-CB 3.49Å; A104-M107 PolarHBondContact O-N 3.34Å; F105-M107 PolarHBondContact O-N 3.01Å; F105-M107 VanDerWaalsContact O-N 3.15Å; M107-I124 WeakPolarHBondContact O-CD1 3.38Å
108Y86.3Confident86.9Confident3 Ų345.5 Ų45.51%0.01225%0.246CC..Hα-helixtrans-80-39.6178-72.8-82.5000113.1A104 F105 L110 I116 E120 M121 I124 L185A104-Y108 WeakPolarHBondContact O-CD2 3.46Å; A104-Y108 PolarHBondContact O-N 3.2Å; F105-Y108 PolarHBondContact O-N 3.28Å; Y108-L110 PolarHBondContact O-N 3Å; Y108-L110 VanDerWaalsContact O-N 3.16Å; Y108-I116 HydrophobicContact CG-CD1 4.42Å; Y108-E120 WeakPolarHBondContact O-CB 3.47Å; Y108-M121 HydrophobicContact CD1-CG 4.23Å; Y108-M121 HydrophobicContact CE1-CG 4.41Å; Y108-I124 HydrophobicContact CD1-CB 3.8Å; Y108-I124 HydrophobicContact CD1-CG1 4.05Å; Y108-I124 HydrophobicContact CD1-CG2 3.81Å; Y108-I124 HydrophobicContact CE1-CB 3.77Å; Y108-I124 HydrophobicContact CE1-CG1 4.48Å; Y108-I124 HydrophobicContact CE1-CG2 3.39Å; Y108-L185 HydrophobicContact CD2-CD2 4.08Å; Y108-L185 HydrophobicContact CE1-CD2 3.98Å; Y108-L185 HydrophobicContact CE2-CB 4.21Å; Y108-L185 HydrophobicContact CE2-CD2 3.36Å; Y108-L185 HydrophobicContact CE2-CG 4.34Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.45Å
109D89.1Confident87.2Confident8 Ų846 Ų464%0.04326%0.256CS..  trans-68.4105.4174.1177.2-2.2000109.1R70 F105 G112 D113 G114 I116R70-D109 PolarHBondContact NH2-O 2.96Å; F105-D109 HydrophobicContact CD1-CB 4.29Å; F105-D109 HydrophobicContact CE1-CB 3.95Å; F105-D109 PolarHBondContact O-N 3.44Å; D109-G112 WeakPolarHBondContact OD1-CA 3.46Å; D109-G112 PolarHBondContact OD1-N 2.88Å; D109-G112 WeakPolarHBondContact OD2-CA 3.26Å; D109-D113 PolarHBondContact OD1-N 3.26Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.39Å; D109-G114 PolarHBondContact OD2-N 3.24Å; D109-I116 HydrophobicContact CB-CG1 4.22Å
110L86.4Confident87.6Confident31 Ų3142.5 Ų42.516%0.16224%0.239CC..SBendtrans-86.5-36.8-170.1-60.2-173.6000113.2R70 Y108 E120 E123 I124R70-L110 VanDerWaalsContact NH1-CD2 3.34Å; R70-L110 PolarHBondContact NH1-O 3.36Å; Y108-L110 PolarHBondContact O-N 3Å; Y108-L110 VanDerWaalsContact O-N 3.16Å; L110-E120 WeakPolarHBondContact CA-OE1 3.38Å; L110-E120 HydrophobicContact CB-CB 4.48Å; L110-E120 HydrophobicContact CB-CG 3.9Å; L110-E120 WeakPolarHBondContact CB-OE1 3.38Å; L110-E120 HydrophobicContact CD1-CB 4.11Å; L110-E120 HydrophobicContact CD1-CG 3.98Å; L110-E120 HydrophobicContact CG-CB 3.87Å; L110-E120 HydrophobicContact CG-CG 3.78Å; L110-E120 PolarHBondContact N-OE1 2.88Å; L110-E123 HydrophobicContact CD1-CB 3.97Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.2Å; L110-I124 HydrophobicContact CD2-CD1 3.67Å; L110-I124 HydrophobicContact CD2-CG1 3.99Å
111D87.4Confident87.9Confident110 Ų11039.7 Ų39.759%0.58823%0.227SC*.SBendtrans-93.9-10.4-178.967.612.1000113.4D113 E120D111-D113 VanDerWaalsContact OD1-CB 3.26Å; D111-D113 WeakPolarHBondContact OD1-CB 3.12Å; D111-D113 VanDerWaalsContact OD1-CG 3.31Å; D111-D113 PolarHBondContact OD1-N 3.16Å; D111-E120 PolarHBondContact N-OE1 2.82Å
112G85.9Confident88.1Confident58 Ų5841.5 Ų41.560%0.59824%0.237SC*.  trans7721.4177.400000113.1D109 G114D109-G112 WeakPolarHBondContact OD1-CA 3.46Å; D109-G112 PolarHBondContact OD1-N 2.88Å; D109-G112 WeakPolarHBondContact OD2-CA 3.26Å; G112-G114 PolarHBondContact O-N 3.34Å
113D89.2Confident88.2Confident85 Ų8542.5 Ų42.546%0.45524%0.24SC..SBendtrans-76.2-4.2-179.885.8-13.5000113.4D109 D111 K115D109-D113 PolarHBondContact OD1-N 3.26Å; D111-D113 VanDerWaalsContact OD1-CB 3.26Å; D111-D113 WeakPolarHBondContact OD1-CB 3.12Å; D111-D113 VanDerWaalsContact OD1-CG 3.31Å; D111-D113 PolarHBondContact OD1-N 3.16Å; D113-K115 WeakPolarHBondContact OD1-CA 3.39Å; D113-K115 VanDerWaalsContact OD1-CB 3.26Å; D113-K115 WeakPolarHBondContact OD1-CB 3.49Å; D113-K115 PolarHBondContact OD1-N 3.03Å
114G89.6Confident88.3Confident35 Ų3540.2 Ų40.236%0.36123%0.231SC..SBendtrans85.114.6-179.500000113.4F105 D109 G112F105-G114 VanDerWaalsContact CZ-O 3.29Å; F105-G114 WeakPolarHBondContact CZ-O 3.48Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.39Å; D109-G114 PolarHBondContact OD2-N 3.24Å; G112-G114 PolarHBondContact O-N 3.34Å
115K92.4Very high88.2Confident72 Ų7240 Ų4031%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-136.7157.8179-51.3-175.6-178.5178.60109.9D113 Q165 I166D113-K115 WeakPolarHBondContact OD1-CA 3.39Å; D113-K115 VanDerWaalsContact OD1-CB 3.26Å; D113-K115 WeakPolarHBondContact OD1-CB 3.49Å; D113-K115 PolarHBondContact OD1-N 3.03Å; K115-Q165 HydrophobicContact CB-CB 4.43Å; K115-Q165 HydrophobicContact CD-CB 4.27Å; K115-I166 WeakPolarHBondContact CA-O 3.3Å
116I91.4Very high88Confident0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-117.6117.2175.4-58.2162.4000108F105 Y108 D109 M121 I166 F171F105-I116 HydrophobicContact CD2-CD1 3.39Å; F105-I116 HydrophobicContact CD2-CG1 4.11Å; F105-I116 HydrophobicContact CE2-CD1 3.38Å; F105-I116 HydrophobicContact CE2-CG1 3.67Å; F105-I116 HydrophobicContact CG-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CD1 4.11Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; Y108-I116 HydrophobicContact CG-CD1 4.42Å; D109-I116 HydrophobicContact CB-CG1 4.22Å; I116-M121 HydrophobicContact CG2-CB 4.05Å; I116-M121 HydrophobicContact CG2-CE 3.98Å; I116-I166 HydrophobicContact CB-CB 4.27Å; I116-I166 PolarHBondContact N-O 3.38Å; I116-I166 PolarHBondContact O-N 3.32Å; I116-F171 HydrophobicContact CD1-CD2 4.05Å; I116-F171 HydrophobicContact CD1-CE2 4.27Å
117T92.7Very high87.8Confident39 Ų3939.8 Ų39.824%0.23923%0.225CC..EExtended strand (participates in β ladder)trans-87.2162.4173.266.70000111.4V119 E120 M121 F155T117-V119 PolarHBondContact O-N 3.15Å; T117-E120 WeakPolarHBondContact CB-OE2 3.5Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.29Å; T117-E120 PolarHBondContact N-OE2 3.28Å; T117-E120 PolarHBondContact O-N 3.12Å; T117-E120 WeakPolarHBondContact OG1-CG 3.18Å; T117-E120 PolarHBondContact OG1-N 3.46Å; T117-E120 PolarHBondContact OG1-OE2 3.23Å; T117-M121 PolarHBondContact O-N 3.2Å; T117-F155 VanDerWaalsContact C-CZ 3.47Å
118R90.4Very high87.4Confident83 Ų8340.3 Ų40.331%0.31323%0.228SC..Hα-helixtrans-57-37175.8-67.8-177.8-178.3-99.6-4.3112.8L122 V151 D152 F155 D164R118-L122 VanDerWaalsContact O-CB 3.3Å; R118-L122 WeakPolarHBondContact O-CB 3.25Å; R118-L122 PolarHBondContact O-N 2.98Å; R118-V151 HydrophobicContact CB-CG1 4.22Å; R118-V151 HydrophobicContact CG-CG1 4.36Å; R118-D152 IonicContact NH1-OD1 2.72Å; R118-D152 PolarHBondContact NH1-OD1 2.96Å; R118-F155 HydrophobicContact CB-CE2 4.27Å; R118-F155 HydrophobicContact CB-CZ 4.23Å; R118-F155 HydrophobicContact CG-CD1 3.83Å; R118-F155 HydrophobicContact CG-CD2 3.95Å; R118-F155 HydrophobicContact CG-CE1 3.65Å; R118-F155 HydrophobicContact CG-CE2 3.77Å; R118-F155 HydrophobicContact CG-CG 3.98Å; R118-F155 HydrophobicContact CG-CZ 3.64Å; R118-F155 VanDerWaalsContact N-CZ 3.3Å; R118-D164 IonicContact CZ-OD1 2.82Å; R118-D164 IonicContact NE-OD1 2.77Å; R118-D164 PolarHBondContact NE-OD1 3.27Å; R118-D164 IonicContact NH2-OD1 2.95Å; R118-D164 PolarHBondContact NH2-OD1 2.94Å
119V91.1Very high86.9Confident109 Ų10942.1 Ų42.166%0.66124%0.235SC*.Hα-helixtrans-66.4-45.3-178.8179.80000110.2T117 L122 E123T117-V119 PolarHBondContact O-N 3.15Å; V119-L122 PolarHBondContact O-N 3.18Å; V119-E123 PolarHBondContact O-N 3.35Å
120E90.9Very high86.3Confident12 Ų1246.5 Ų46.56%0.05625%0.253CS..Hα-helixtrans-65.7-43.7178.6-70.1173.3120.700112.3Y108 L110 D111 T117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 3.47Å; L110-E120 WeakPolarHBondContact CA-OE1 3.38Å; L110-E120 HydrophobicContact CB-CB 4.48Å; L110-E120 HydrophobicContact CB-CG 3.9Å; L110-E120 WeakPolarHBondContact CB-OE1 3.38Å; L110-E120 HydrophobicContact CD1-CB 4.11Å; L110-E120 HydrophobicContact CD1-CG 3.98Å; L110-E120 HydrophobicContact CG-CB 3.87Å; L110-E120 HydrophobicContact CG-CG 3.78Å; L110-E120 PolarHBondContact N-OE1 2.88Å; D111-E120 PolarHBondContact N-OE1 2.82Å; T117-E120 WeakPolarHBondContact CB-OE2 3.5Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.29Å; T117-E120 PolarHBondContact N-OE2 3.28Å; T117-E120 PolarHBondContact O-N 3.12Å; T117-E120 WeakPolarHBondContact OG1-CG 3.18Å; T117-E120 PolarHBondContact OG1-N 3.46Å; T117-E120 PolarHBondContact OG1-OE2 3.23Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.35Å; E120-E123 PolarHBondContact O-N 3.15Å; E120-I124 PolarHBondContact O-N 3.24Å
121M88.4Confident85.6Confident0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-62.1-42175.8-171.1172.9-72.300111.8Y108 I116 T117 I124 I125 V151 I154 F155 I166Y108-M121 HydrophobicContact CD1-CG 4.23Å; Y108-M121 HydrophobicContact CE1-CG 4.41Å; I116-M121 HydrophobicContact CG2-CB 4.05Å; I116-M121 HydrophobicContact CG2-CE 3.98Å; T117-M121 PolarHBondContact O-N 3.2Å; M121-I124 PolarHBondContact O-N 2.65Å; M121-I125 HydrophobicContact CG-CD1 3.88Å; M121-I125 HydrophobicContact CG-CG1 4.48Å; M121-I125 WeakPolarHBondContact O-CB 3.23Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 3.08Å; M121-V151 HydrophobicContact CB-CG1 4.37Å; M121-V151 HydrophobicContact CB-CG2 4.45Å; M121-V151 HydrophobicContact CG-CG1 4.47Å; M121-V151 HydrophobicContact CG-CG2 4.15Å; M121-V151 HydrophobicContact SD-CG1 4.3Å; M121-I154 HydrophobicContact CE-CG2 3.76Å; M121-I154 HydrophobicContact SD-CB 3.88Å; M121-I154 HydrophobicContact SD-CD1 3.98Å; M121-I154 HydrophobicContact SD-CG2 3.56Å; M121-I154 VanDerWaalsContact SD-CG2 3.56Å; M121-F155 HydrophobicContact CB-CE2 3.97Å; M121-F155 HydrophobicContact CE-CD2 4.36Å; M121-F155 HydrophobicContact CE-CE2 3.78Å; M121-F155 HydrophobicContact CE-CZ 4.49Å; M121-F155 HydrophobicContact CG-CE2 4.39Å; M121-F155 HydrophobicContact SD-CD2 3.87Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; M121-I166 HydrophobicContact CE-CD1 3.61Å
122L87.6Confident84.6Confident43 Ų4341.1 Ų41.123%0.22523%0.225CC..Hα-helixtrans-61.6-44.7176.6-175.762000111.3R118 V119 E120 I124 I125 E126 P147 E148 V151R118-L122 VanDerWaalsContact O-CB 3.3Å; R118-L122 WeakPolarHBondContact O-CB 3.25Å; R118-L122 PolarHBondContact O-N 2.98Å; V119-L122 PolarHBondContact O-N 3.18Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.35Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.36Å; L122-I125 PolarHBondContact O-N 2.87Å; L122-E126 HydrophobicContact CD1-CG 4.24Å; L122-E126 HydrophobicContact CG-CG 4.34Å; L122-E126 WeakPolarHBondContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CG 3.21Å; L122-E126 PolarHBondContact O-N 2.87Å; L122-P147 HydrophobicContact CD1-CB 3.71Å; L122-E148 HydrophobicContact CD1-CG 4.02Å; L122-E148 HydrophobicContact CD2-CG 4.24Å; L122-V151 HydrophobicContact CB-CG2 4.03Å; L122-V151 HydrophobicContact CD1-CG2 4Å
123E88.3Confident83.5Confident67 Ų6739.1 Ų39.131%0.31320%0.204SC..Hα-helixtrans-58.8-44179.6-109.9-139.3110.200112.5K63 L110 V119 E120 A127K63-E123 IonicContact NZ-OE1 3.99Å; K63-E123 PolarHBondContact NZ-OE1 3.42Å; L110-E123 HydrophobicContact CD1-CB 3.97Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.2Å; V119-E123 PolarHBondContact O-N 3.35Å; E120-E123 PolarHBondContact O-N 3.15Å; E123-A127 WeakPolarHBondContact O-CB 3.39Å; E123-A127 PolarHBondContact O-N 3.33Å
124I85.2Confident81.8Confident0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-66.9-44.3177.4-64.5-54.9000111.4H67 M107 Y108 L110 E120 M121 L122 E126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.65Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.43Å; M107-I124 WeakPolarHBondContact O-CD1 3.38Å; Y108-I124 HydrophobicContact CD1-CB 3.8Å; Y108-I124 HydrophobicContact CD1-CG1 4.05Å; Y108-I124 HydrophobicContact CD1-CG2 3.81Å; Y108-I124 HydrophobicContact CE1-CB 3.77Å; Y108-I124 HydrophobicContact CE1-CG1 4.48Å; Y108-I124 HydrophobicContact CE1-CG2 3.39Å; L110-I124 HydrophobicContact CD2-CD1 3.67Å; L110-I124 HydrophobicContact CD2-CG1 3.99Å; E120-I124 PolarHBondContact O-N 3.24Å; M121-I124 PolarHBondContact O-N 2.65Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.36Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 2.9Å; I124-A127 WeakPolarHBondContact O-CB 3.44Å; I124-A127 PolarHBondContact O-N 3.21Å; I124-I128 HydrophobicContact CG2-CD1 3.84Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 3.26Å
125I81Confident79.9Confident10 Ų1043.6 Ų43.65%0.05123%0.228CC..Hα-helixtrans-61.8-44178.7-70.6175.6000110.3M121 L122 A127 I128 Y129 P147 R150 V151 I154M121-I125 HydrophobicContact CG-CD1 3.88Å; M121-I125 HydrophobicContact CG-CG1 4.48Å; M121-I125 WeakPolarHBondContact O-CB 3.23Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 3.08Å; L122-I125 PolarHBondContact O-N 2.87Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 2.81Å; I125-I128 PolarHBondContact O-N 3.22Å; I125-Y129 HydrophobicContact CG2-CD2 3.8Å; I125-Y129 HydrophobicContact CG2-CE2 3.5Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.5Å; I125-Y129 WeakPolarHBondContact O-CB 3.46Å; I125-Y129 WeakPolarHBondContact O-CD2 3.08Å; I125-Y129 PolarHBondContact O-N 3.37Å; I125-P147 HydrophobicContact CG2-CB 4.03Å; I125-R150 HydrophobicContact CD1-CG 4.46Å; I125-V151 HydrophobicContact CD1-CG2 3.71Å; I125-I154 HydrophobicContact CD1-CD1 4.01Å
126E82.6Confident78.1Confident61 Ų6143.2 Ų43.229%0.28523%0.228SC..Hα-helixtrans-61.5-40.8174.5-74.5-168.8154.300112.6L122 I124 Y129 K130 P147L122-E126 HydrophobicContact CD1-CG 4.24Å; L122-E126 HydrophobicContact CG-CG 4.34Å; L122-E126 WeakPolarHBondContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CG 3.21Å; L122-E126 PolarHBondContact O-N 2.87Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 2.9Å; E126-Y129 PolarHBondContact O-N 2.76Å; E126-K130 WeakPolarHBondContact O-CG 3.3Å; E126-K130 PolarHBondContact O-N 2.79Å; E126-P147 HydrophobicContact CG-CB 4.43Å
127A82.4Confident76.3Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-62.9-42.3177.100000111.5K63 F64 E123 I124 I125 K130 M131K63-A127 HydrophobicContact CB-CB 3.82Å; F64-A127 HydrophobicContact CB-CB 4.29Å; E123-A127 WeakPolarHBondContact O-CB 3.39Å; E123-A127 PolarHBondContact O-N 3.33Å; I124-A127 WeakPolarHBondContact O-CB 3.44Å; I124-A127 PolarHBondContact O-N 3.21Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 2.81Å; A127-K130 PolarHBondContact O-N 2.96Å; A127-M131 VanDerWaalsContact O-CB 3.31Å; A127-M131 WeakPolarHBondContact O-CB 3.26Å; A127-M131 PolarHBondContact O-N 2.89Å
128I77.3Confident74.2Confident20 Ų2051.8 Ų51.810%0.10327%0.268CS..Hα-helixtrans-62.9-44.7173.6-67.2167.6000110.2F64 I124 I125 K130 M131 V132 C187F64-I128 HydrophobicContact CD2-CG1 3.61Å; F64-I128 HydrophobicContact CE2-CD1 4.18Å; F64-I128 HydrophobicContact CE2-CG1 3.69Å; I124-I128 HydrophobicContact CG2-CD1 3.84Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 3.26Å; I125-I128 PolarHBondContact O-N 3.22Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 3.26Å; I128-M131 PolarHBondContact O-N 2.88Å; I128-M131 VanDerWaalsContact O-N 3.16Å; I128-V132 HydrophobicContact CG2-CG2 3.99Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 3.14Å; I128-C187 WeakPolarHBondContact CG2-SG 3.36Å
129Y74.7Confident72.3Confident42 Ų4256 Ų5617%0.16529%0.289CS..Hα-helixtrans-59.5-41179.1-87.2-134.3000111.8I125 E126 G133 M137 P147 R150I125-Y129 HydrophobicContact CG2-CD2 3.8Å; I125-Y129 HydrophobicContact CG2-CE2 3.5Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.5Å; I125-Y129 WeakPolarHBondContact O-CB 3.46Å; I125-Y129 WeakPolarHBondContact O-CD2 3.08Å; I125-Y129 PolarHBondContact O-N 3.37Å; E126-Y129 PolarHBondContact O-N 2.76Å; Y129-G133 PolarHBondContact O-N 3.27Å; Y129-M137 HydrophobicContact CD1-CE 3.77Å; Y129-M137 HydrophobicContact CD1-CG 4.36Å; Y129-M137 HydrophobicContact CD1-SD 3.65Å; Y129-M137 HydrophobicContact CE1-CE 3.25Å; Y129-M137 HydrophobicContact CE1-CG 4.21Å; Y129-M137 HydrophobicContact CE1-SD 3.72Å; Y129-P147 HydrophobicContact CD1-CG 3.82Å; Y129-P147 HydrophobicContact CE1-CG 3.63Å; Y129-R150 PolarHBondContact OH-NE 2.78Å
130K77.6Confident70.5Confident100 Ų10054.9 Ų54.944%0.43528%0.278SS..Hα-helixtrans-68.3-39.9175.4-74.4176.9-178.9172.40112.6G59 D60 E126 A127 I128G59-K130 CarbonylContact C-O 3.28Å; G59-K130 WeakPolarHBondContact CA-O 3.49Å; D60-K130 HydrophobicContact CB-CB 4.32Å; D60-K130 PolarHBondContact N-O 3.34Å; D60-K130 CarbonylContact O-C 3.55Å; E126-K130 WeakPolarHBondContact O-CG 3.3Å; E126-K130 PolarHBondContact O-N 2.79Å; A127-K130 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 3.26Å
131M72.2Confident68.9Low9 Ų955.4 Ų55.44%0.04428%0.281CS..Hα-helixtrans-66.9-45.1-178.3174.9-178177.700113.1Y52 F56 G59 D60 A61 F64 A127 I128 G133Y52-M131 HydrophobicContact CD1-CE 3.83Å; Y52-M131 HydrophobicContact CE1-CE 3.95Å; F56-M131 HydrophobicContact CB-CE 4.44Å; F56-M131 HydrophobicContact CB-CG 4.47Å; F56-M131 HydrophobicContact CD1-CE 3.91Å; F56-M131 HydrophobicContact CD2-CE 3.13Å; F56-M131 HydrophobicContact CE1-CE 3.92Å; F56-M131 HydrophobicContact CE2-CE 3.1Å; F56-M131 HydrophobicContact CG-CE 3.54Å; F56-M131 HydrophobicContact CG-CG 4.34Å; F56-M131 HydrophobicContact CZ-CE 3.52Å; G59-M131 WeakPolarHBondContact CA-O 3.49Å; D60-M131 WeakPolarHBondContact O-CA 3.38Å; D60-M131 PolarHBondContact O-N 2.96Å; A61-M131 HydrophobicContact CB-CB 4.43Å; A61-M131 HydrophobicContact CB-CG 3.82Å; A61-M131 HydrophobicContact CB-SD 4.46Å; F64-M131 HydrophobicContact CB-CB 4.34Å; F64-M131 HydrophobicContact CB-SD 3.65Å; F64-M131 HydrophobicContact CD1-CE 3.93Å; F64-M131 HydrophobicContact CD1-SD 3.27Å; F64-M131 WeakPolarHBondContact CD1-SD 3.26Å; F64-M131 HydrophobicContact CD2-SD 4.2Å; F64-M131 HydrophobicContact CE1-CE 4.25Å; F64-M131 HydrophobicContact CE1-SD 3.95Å; F64-M131 HydrophobicContact CG-SD 3.41Å; F64-M131 WeakPolarHBondContact CG-SD 3.2Å; A127-M131 VanDerWaalsContact O-CB 3.31Å; A127-M131 WeakPolarHBondContact O-CB 3.26Å; A127-M131 PolarHBondContact O-N 2.89Å; I128-M131 PolarHBondContact O-N 2.88Å; I128-M131 VanDerWaalsContact O-N 3.16Å; M131-G133 VanDerWaalsContact C-N 3.33Å
132V66Low67.2Low19 Ų1964.4 Ų64.412%0.11532%0.323CS..Hα-helixtrans-84.2-16.7-172-169.10000111.3I128 I136 L189I128-V132 HydrophobicContact CG2-CG2 3.99Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 3.14Å; V132-I136 HydrophobicContact CG1-CB 3.4Å; V132-I136 HydrophobicContact CG1-CD1 3.33Å; V132-I136 HydrophobicContact CG1-CG1 3.82Å; V132-I136 HydrophobicContact CG1-CG2 3.45Å; V132-I136 VanDerWaalsContact CG1-CG2 3.45Å; V132-L189 HydrophobicContact CB-CD2 4.38Å; V132-L189 HydrophobicContact CG1-CD2 3.33Å; V132-L189 HydrophobicContact CG2-CD1 4.29Å; V132-L189 HydrophobicContact CG2-CD2 3.97Å
133G62.8Low65.9Low15 Ų1567.6 Ų67.616%0.15534%0.34CS..Hα-helixtrans74.9154.3178.400000112.7Y129 M131 V135 I136 M137Y129-G133 PolarHBondContact O-N 3.27Å; M131-G133 VanDerWaalsContact C-N 3.33Å; G133-V135 PolarHBondContact O-N 3.29Å; G133-I136 PolarHBondContact O-N 3.45Å; G133-M137 PolarHBondContact O-N 2.83Å
134T53.6Low64.8Low105 Ų10567 Ų6764%0.64435%0.353SS*.Hα-helixtrans-55.1-22.3-1741.80000114.3M137 M138T134-M137 WeakPolarHBondContact O-CB 3.39Å; T134-M138 WeakPolarHBondContact O-CG 3.42Å; T134-M138 PolarHBondContact O-N 2.95Å; T134-M138 VanDerWaalsContact O-N 3.14Å
135V49.6Very low64.1Low109 Ų10968.9 Ų68.966%0.66136%0.362SS*.Hα-helixtrans-76.3-38.8-174.9179.60000113G133G133-V135 PolarHBondContact O-N 3.29Å
136I54.5Low64Low64 Ų6471.2 Ų71.233%0.32838%0.377SS..Hα-helixtrans-78-30.1174.4-62.6178000109.7V132 G133 M138 K139 M140 L189V132-I136 HydrophobicContact CG1-CB 3.4Å; V132-I136 HydrophobicContact CG1-CD1 3.33Å; V132-I136 HydrophobicContact CG1-CG1 3.82Å; V132-I136 HydrophobicContact CG1-CG2 3.45Å; V132-I136 VanDerWaalsContact CG1-CG2 3.45Å; G133-I136 PolarHBondContact O-N 3.45Å; I136-M138 VanDerWaalsContact C-N 3.31Å; I136-M138 PolarHBondContact O-N 2.98Å; I136-K139 CarbonylContact O-C 3.53Å; I136-K139 WeakPolarHBondContact O-CA 3.29Å; I136-K139 PolarHBondContact O-N 3.41Å; I136-M140 HydrophobicContact CG2-CE 4.19Å; I136-M140 HydrophobicContact CG2-CG 3.91Å; I136-M140 HydrophobicContact CG2-SD 3.67Å; I136-M140 PolarHBondContact O-N 3.44Å; I136-L189 HydrophobicContact CD1-CD2 4.09Å; I136-L189 HydrophobicContact CG2-CD2 4.18Å
137M53.4Low63.8Low57 Ų5769.3 Ų69.328%0.28137%0.37SS..Hα-helixtrans-57.7-42171.5-169.3-169.7168.700111.8Y129 G133 T134 K139 M140 N141Y129-M137 HydrophobicContact CD1-CE 3.77Å; Y129-M137 HydrophobicContact CD1-CG 4.36Å; Y129-M137 HydrophobicContact CD1-SD 3.65Å; Y129-M137 HydrophobicContact CE1-CE 3.25Å; Y129-M137 HydrophobicContact CE1-CG 4.21Å; Y129-M137 HydrophobicContact CE1-SD 3.72Å; G133-M137 PolarHBondContact O-N 2.83Å; T134-M137 WeakPolarHBondContact O-CB 3.39Å; M137-K139 PolarHBondContact O-N 3.29Å; M137-M140 PolarHBondContact O-N 3.33Å; M137-N141 HydrophobicContact CG-CB 4.43Å; M137-N141 WeakPolarHBondContact O-CB 2.82Å; M137-N141 PolarHBondContact O-N 2.87Å
138M49.5Very low63.8Low163 Ų16373.6 Ų73.680%0.80339%0.39SS*.Hα-helixtrans-62.1-22.9173.8-75-178.4168.300113.8T134 I136T134-M138 WeakPolarHBondContact O-CG 3.42Å; T134-M138 PolarHBondContact O-N 2.95Å; T134-M138 VanDerWaalsContact O-N 3.14Å; I136-M138 VanDerWaalsContact C-N 3.31Å; I136-M138 PolarHBondContact O-N 2.98Å
139K50.6Low64.1Low170 Ų17077.2 Ų77.274%0.73941%0.406SS*.Hα-helixtrans-93.8-29.6177.1-70.1-175.7176.1-179.70113.7I136 M137I136-K139 CarbonylContact O-C 3.53Å; I136-K139 WeakPolarHBondContact O-CA 3.29Å; I136-K139 PolarHBondContact O-N 3.41Å; M137-K139 PolarHBondContact O-N 3.29Å
140M52.3Low64.4Low87 Ų8777.1 Ų77.143%0.42941%0.406SS..Hα-helixtrans-92.4-16.2-179-75.8-175157.300113.5I136 M137 D188 L189I136-M140 HydrophobicContact CG2-CE 4.19Å; I136-M140 HydrophobicContact CG2-CG 3.91Å; I136-M140 HydrophobicContact CG2-SD 3.67Å; I136-M140 PolarHBondContact O-N 3.44Å; M137-M140 PolarHBondContact O-N 3.33Å; M140-D188 VanDerWaalsContact CE-O 3.26Å; M140-D188 WeakPolarHBondContact CE-O 3.42Å; M140-L189 HydrophobicContact CE-CD2 4.23Å
141N56.5Low64.7Low22 Ų2272.6 Ų72.612%0.11839%0.386CS..  trans-103.461.2-177.9-149.118.9000110.9M137 D143 G144 L145 R150M137-N141 HydrophobicContact CG-CB 4.43Å; M137-N141 WeakPolarHBondContact O-CB 2.82Å; M137-N141 PolarHBondContact O-N 2.87Å; N141-D143 PolarHBondContact O-N 2.94Å; N141-G144 PolarHBondContact O-N 3.19Å; N141-G144 VanDerWaalsContact O-N 3.11Å; N141-L145 PolarHBondContact ND2-N 3.33Å; N141-L145 PolarHBondContact ND2-O 3.26Å; N141-L145 PolarHBondContact OD1-N 2.97Å; N141-L145 VanDerWaalsContact OD1-N 3.16Å; N141-R150 PolarHBondContact OD1-NH2 3.16Å
142E54.2Low65.4Low190 Ų19076 Ų7689%0.88841%0.405SS*.THydrogen-bonded Turntrans-56.8-30.9172.1-69.5-172.8130.400111.5
143D60.2Low66.2Low109 Ų10979.3 Ų79.358%0.58342%0.418SS*.THydrogen-bonded Turntrans-84.1-10.1179.3-66.5-20.9000114.1N141 L145 K153N141-D143 PolarHBondContact O-N 2.94Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 HydrophobicContact CB-CD1 4.05Å; D143-L145 HydrophobicContact CB-CG 3.88Å; D143-L145 PolarHBondContact O-N 3.43Å; D143-K153 IonicContact OD2-NZ 3.35Å; D143-K153 PolarHBondContact OD2-NZ 3.11Å
144G65.2Low67.2Low56 Ų5678.9 Ų78.958%0.57741%0.412SS*.  trans64.918.7179.800000116.2N141N141-G144 PolarHBondContact O-N 3.19Å; N141-G144 VanDerWaalsContact O-N 3.11Å
145L69.3Low68.8Low39 Ų3974 Ų7420%0.20438%0.382CS..  trans-76142.3-174.3-61.7174.6000112.8N141 D143 Q149 K153N141-L145 PolarHBondContact ND2-N 3.33Å; N141-L145 PolarHBondContact ND2-O 3.26Å; N141-L145 PolarHBondContact OD1-N 2.97Å; N141-L145 VanDerWaalsContact OD1-N 3.16Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 HydrophobicContact CB-CD1 4.05Å; D143-L145 HydrophobicContact CB-CG 3.88Å; D143-L145 PolarHBondContact O-N 3.43Å; L145-Q149 HydrophobicContact CB-CB 4.16Å; L145-Q149 HydrophobicContact CD2-CB 4.09Å; L145-K153 HydrophobicContact CD1-CD 3.9Å
146T79.3Confident70.6Confident59 Ų5973.1 Ų73.136%0.36238%0.381SS..  trans-68.5158.916855.30000111.3E148 Q149 R150T146-E148 WeakPolarHBondContact CB-OE2 3.49Å; T146-E148 PolarHBondContact O-N 2.91Å; T146-Q149 PolarHBondContact O-N 3.46Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.16Å; T146-Q149 VanDerWaalsContact OG1-CD 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.41Å; T146-Q149 PolarHBondContact OG1-N 2.97Å; T146-Q149 PolarHBondContact OG1-OE1 3.22Å; T146-R150 PolarHBondContact O-N 3.1Å
147P77.8Confident72Confident21 Ų2174.5 Ų74.514%0.13638%0.384CS..Hα-helixtrans-48.7-44.6172.7-27.734.9000113L122 I125 E126 Y129 R150 V151L122-P147 HydrophobicContact CD1-CB 3.71Å; I125-P147 HydrophobicContact CG2-CB 4.03Å; E126-P147 HydrophobicContact CG-CB 4.43Å; Y129-P147 HydrophobicContact CD1-CG 3.82Å; Y129-P147 HydrophobicContact CE1-CG 3.63Å; P147-R150 WeakPolarHBondContact O-CB 3.41Å; P147-R150 PolarHBondContact O-N 3.37Å; P147-V151 WeakPolarHBondContact O-CG2 3.36Å; P147-V151 PolarHBondContact O-N 3.35Å
148E84.4Confident73.5Confident90 Ų9071.9 Ų71.942%0.42137%0.371SS..Hα-helixtrans-64.5-47.5-179-59.982.2174.700111.3L122 T146 R150 V151 D152L122-E148 HydrophobicContact CD1-CG 4.02Å; L122-E148 HydrophobicContact CD2-CG 4.24Å; T146-E148 WeakPolarHBondContact CB-OE2 3.49Å; T146-E148 PolarHBondContact O-N 2.91Å; E148-R150 PolarHBondContact O-N 2.98Å; E148-V151 WeakPolarHBondContact O-CB 3.16Å; E148-V151 PolarHBondContact O-N 3.26Å; E148-V151 VanDerWaalsContact O-N 3.14Å; E148-D152 PolarHBondContact O-N 3.41Å
149Q83.3Confident75.4Confident95 Ų9564.6 Ų64.644%0.44434%0.335SS..Hα-helixtrans-63.6-30176.2-72.3169.6-40.300112.5L145 T146 K153L145-Q149 HydrophobicContact CB-CB 4.16Å; L145-Q149 HydrophobicContact CD2-CB 4.09Å; T146-Q149 PolarHBondContact O-N 3.46Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.16Å; T146-Q149 VanDerWaalsContact OG1-CD 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.41Å; T146-Q149 PolarHBondContact OG1-N 2.97Å; T146-Q149 PolarHBondContact OG1-OE1 3.22Å; Q149-K153 WeakPolarHBondContact O-CB 3.42Å; Q149-K153 PolarHBondContact O-N 3.37Å
150R80Confident77.1Confident40 Ų4062.2 Ų62.215%0.15133%0.325CS..Hα-helixtrans-70.3-43.5174.3-174.4176.5-73-144.4-2.2110.8I125 Y129 N141 T146 P147 E148 D152 K153 I154I125-R150 HydrophobicContact CD1-CG 4.46Å; Y129-R150 PolarHBondContact OH-NE 2.78Å; N141-R150 PolarHBondContact OD1-NH2 3.16Å; T146-R150 PolarHBondContact O-N 3.1Å; P147-R150 WeakPolarHBondContact O-CB 3.41Å; P147-R150 PolarHBondContact O-N 3.37Å; E148-R150 PolarHBondContact O-N 2.98Å; R150-D152 VanDerWaalsContact C-N 3.35Å; R150-K153 PolarHBondContact O-N 3.24Å; R150-I154 HydrophobicContact CG-CD1 4.11Å; R150-I154 VanDerWaalsContact O-CG1 3.28Å; R150-I154 WeakPolarHBondContact O-CG1 3.33Å; R150-I154 PolarHBondContact O-N 3.24Å
151V84.6Confident78.8Confident5 Ų562 Ų623%0.0333%0.326CS..Hα-helixtrans-57-49.9172.1174.80000110R118 M121 L122 I125 P147 E148 K153 I154 F155R118-V151 HydrophobicContact CB-CG1 4.22Å; R118-V151 HydrophobicContact CG-CG1 4.36Å; M121-V151 HydrophobicContact CB-CG1 4.37Å; M121-V151 HydrophobicContact CB-CG2 4.45Å; M121-V151 HydrophobicContact CG-CG1 4.47Å; M121-V151 HydrophobicContact CG-CG2 4.15Å; M121-V151 HydrophobicContact SD-CG1 4.3Å; L122-V151 HydrophobicContact CB-CG2 4.03Å; L122-V151 HydrophobicContact CD1-CG2 4Å; I125-V151 HydrophobicContact CD1-CG2 3.71Å; P147-V151 WeakPolarHBondContact O-CG2 3.36Å; P147-V151 PolarHBondContact O-N 3.35Å; E148-V151 WeakPolarHBondContact O-CB 3.16Å; E148-V151 PolarHBondContact O-N 3.26Å; E148-V151 VanDerWaalsContact O-N 3.14Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.74Å; V151-I154 PolarHBondContact O-N 3.11Å; V151-F155 HydrophobicContact CG1-CD2 3.62Å; V151-F155 HydrophobicContact CG1-CE2 3.81Å; V151-F155 WeakPolarHBondContact O-CD2 3.47Å; V151-F155 PolarHBondContact O-N 2.78Å
152D86.6Confident80.3Confident82 Ų8267.2 Ų67.244%0.43935%0.353SS..Hα-helixtrans-58.2-42.7179.7-70.2-25000112.2R118 E148 R150 I154 F155 S156R118-D152 IonicContact NH1-OD1 2.72Å; R118-D152 PolarHBondContact NH1-OD1 2.96Å; E148-D152 PolarHBondContact O-N 3.41Å; R150-D152 VanDerWaalsContact C-N 3.35Å; D152-I154 VanDerWaalsContact C-N 3.35Å; D152-I154 PolarHBondContact O-N 3.19Å; D152-F155 PolarHBondContact O-N 3.09Å; D152-S156 WeakPolarHBondContact O-CB 3.37Å; D152-S156 PolarHBondContact O-N 2.91Å; D152-S156 PolarHBondContact O-OG 3.46Å
153K83.4Confident82.1Confident87 Ų8761.2 Ų61.238%0.37833%0.327SS..Hα-helixtrans-63.8-39.2176.2-173.5173.7178.9179.90111.7D143 L145 Q149 R150 V151 S156 K157D143-K153 IonicContact OD2-NZ 3.35Å; D143-K153 PolarHBondContact OD2-NZ 3.11Å; L145-K153 HydrophobicContact CD1-CD 3.9Å; Q149-K153 WeakPolarHBondContact O-CB 3.42Å; Q149-K153 PolarHBondContact O-N 3.37Å; R150-K153 PolarHBondContact O-N 3.24Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.74Å; K153-S156 PolarHBondContact O-OG 3.03Å; K153-K157 WeakPolarHBondContact O-CG 3.29Å
154I83.3Confident83.4Confident7 Ų760 Ų604%0.03632%0.321CS..Hα-helixtrans-67.6-50.4176.7-67.3164.2000110.2M121 I125 R150 V151 D152 S156 K157 M158M121-I154 HydrophobicContact CE-CG2 3.76Å; M121-I154 HydrophobicContact SD-CB 3.88Å; M121-I154 HydrophobicContact SD-CD1 3.98Å; M121-I154 HydrophobicContact SD-CG2 3.56Å; M121-I154 VanDerWaalsContact SD-CG2 3.56Å; I125-I154 HydrophobicContact CD1-CD1 4.01Å; R150-I154 HydrophobicContact CG-CD1 4.11Å; R150-I154 VanDerWaalsContact O-CG1 3.28Å; R150-I154 WeakPolarHBondContact O-CG1 3.33Å; R150-I154 PolarHBondContact O-N 3.24Å; V151-I154 PolarHBondContact O-N 3.11Å; D152-I154 VanDerWaalsContact C-N 3.35Å; D152-I154 PolarHBondContact O-N 3.19Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 3.24Å; I154-K157 PolarHBondContact O-N 2.87Å; I154-M158 HydrophobicContact CG2-CE 3.8Å; I154-M158 HydrophobicContact CG2-CG 3.92Å; I154-M158 HydrophobicContact CG2-SD 3.58Å; I154-M158 VanDerWaalsContact CG2-SD 3.58Å; I154-M158 WeakPolarHBondContact O-CB 3.44Å; I154-M158 WeakPolarHBondContact O-CG 3.42Å; I154-M158 PolarHBondContact O-N 3.25Å
155F87.8Confident84.7Confident2 Ų260.2 Ų60.21%0.00931%0.307CS..Hα-helixtrans-58.5-44.8178.6-91-99.6000111.5T117 R118 M121 V151 D152 K157 M158 D159 D164 I166T117-F155 VanDerWaalsContact C-CZ 3.47Å; R118-F155 HydrophobicContact CB-CE2 4.27Å; R118-F155 HydrophobicContact CB-CZ 4.23Å; R118-F155 HydrophobicContact CG-CD1 3.83Å; R118-F155 HydrophobicContact CG-CD2 3.95Å; R118-F155 HydrophobicContact CG-CE1 3.65Å; R118-F155 HydrophobicContact CG-CE2 3.77Å; R118-F155 HydrophobicContact CG-CG 3.98Å; R118-F155 HydrophobicContact CG-CZ 3.64Å; R118-F155 VanDerWaalsContact N-CZ 3.3Å; M121-F155 HydrophobicContact CB-CE2 3.97Å; M121-F155 HydrophobicContact CE-CD2 4.36Å; M121-F155 HydrophobicContact CE-CE2 3.78Å; M121-F155 HydrophobicContact CE-CZ 4.49Å; M121-F155 HydrophobicContact CG-CE2 4.39Å; M121-F155 HydrophobicContact SD-CD2 3.87Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; V151-F155 HydrophobicContact CG1-CD2 3.62Å; V151-F155 HydrophobicContact CG1-CE2 3.81Å; V151-F155 WeakPolarHBondContact O-CD2 3.47Å; V151-F155 PolarHBondContact O-N 2.78Å; D152-F155 PolarHBondContact O-N 3.09Å; F155-K157 PolarHBondContact O-N 2.89Å; F155-M158 PolarHBondContact O-N 2.75Å; F155-M158 VanDerWaalsContact O-N 3.17Å; F155-D159 HydrophobicContact CD1-CB 4.21Å; F155-D159 VanDerWaalsContact O-CB 3.29Å; F155-D159 WeakPolarHBondContact O-CB 3.47Å; F155-D159 PolarHBondContact O-N 2.78Å; F155-D164 WeakPolarHBondContact CE1-O 3.49Å; F155-I166 HydrophobicContact CD1-CD1 3.87Å; F155-I166 HydrophobicContact CD1-CG1 4.07Å; F155-I166 HydrophobicContact CD2-CD1 3.85Å; F155-I166 HydrophobicContact CE1-CD1 3.64Å; F155-I166 HydrophobicContact CE1-CG1 3.73Å; F155-I166 HydrophobicContact CE2-CD1 3.63Å; F155-I166 HydrophobicContact CG-CD1 3.96Å; F155-I166 HydrophobicContact CZ-CD1 3.5Å; F155-I166 HydrophobicContact CZ-CG1 4Å
156S86.5Confident85.7Confident91 Ų9158.4 Ų58.464%0.63630%0.298SS*.Hα-helixtrans-59.9-19.7177.971.30000114.6D152 K153 I154D152-S156 WeakPolarHBondContact O-CB 3.37Å; D152-S156 PolarHBondContact O-N 2.91Å; D152-S156 PolarHBondContact O-OG 3.46Å; K153-S156 PolarHBondContact O-OG 3.03Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 3.24Å
157K83.7Confident86.3Confident93 Ų9357.4 Ų57.440%0.40429%0.291SS..Hα-helixtrans-98.8-33.2177.4-72.2-176.9167.2-162.60113.4K153 I154 F155 D178 I181K153-K157 WeakPolarHBondContact O-CG 3.29Å; I154-K157 PolarHBondContact O-N 2.87Å; F155-K157 PolarHBondContact O-N 2.89Å; K157-D178 IonicContact NZ-OD2 2.88Å; K157-D178 PolarHBondContact NZ-OD2 3.22Å; K157-I181 HydrophobicContact CB-CD1 4.1Å; K157-I181 HydrophobicContact CD-CD1 4.13Å; K157-I181 HydrophobicContact CD-CG1 4.48Å
158M85.8Confident86.9Confident1 Ų159.1 Ų59.11%0.00530%0.299CS..Hα-helixtrans-94-42.7-173.3-69.7-165170.300113.1I154 F155 K160 I166 F171 A174 I181 L185I154-M158 HydrophobicContact CG2-CE 3.8Å; I154-M158 HydrophobicContact CG2-CG 3.92Å; I154-M158 HydrophobicContact CG2-SD 3.58Å; I154-M158 VanDerWaalsContact CG2-SD 3.58Å; I154-M158 WeakPolarHBondContact O-CB 3.44Å; I154-M158 WeakPolarHBondContact O-CG 3.42Å; I154-M158 PolarHBondContact O-N 3.25Å; F155-M158 PolarHBondContact O-N 2.75Å; F155-M158 VanDerWaalsContact O-N 3.17Å; M158-K160 PolarHBondContact O-N 2.9Å; M158-I166 HydrophobicContact CB-CD1 3.83Å; M158-I166 HydrophobicContact CB-CG1 4.04Å; M158-I166 HydrophobicContact CB-CG2 4.32Å; M158-I166 HydrophobicContact CG-CD1 4.4Å; M158-I166 HydrophobicContact SD-CD1 3.72Å; M158-I166 HydrophobicContact SD-CG2 3.99Å; M158-F171 HydrophobicContact CE-CD2 3.77Å; M158-F171 HydrophobicContact CE-CE2 3.93Å; M158-F171 HydrophobicContact SD-CD2 3.98Å; M158-A174 HydrophobicContact CB-CB 4.16Å; M158-A174 HydrophobicContact CE-CB 4.48Å; M158-A174 HydrophobicContact CG-CB 3.57Å; M158-I181 HydrophobicContact CE-CB 4.46Å; M158-I181 HydrophobicContact CE-CG2 3.02Å; M158-I181 HydrophobicContact CG-CD1 4.37Å; M158-L185 HydrophobicContact CE-CD1 3.97Å
159D88.6Confident87.1Confident10 Ų1062.4 Ų62.45%0.05331%0.314CS..  trans-77.694.1-176.3179.52.6000109.3F155 N161 N162 D163 D164 I166F155-D159 HydrophobicContact CD1-CB 4.21Å; F155-D159 VanDerWaalsContact O-CB 3.29Å; F155-D159 WeakPolarHBondContact O-CB 3.47Å; F155-D159 PolarHBondContact O-N 2.78Å; D159-N161 PolarHBondContact OD1-N 2.87Å; D159-N161 PolarHBondContact OD1-OD1 2.89Å; D159-N161 VanDerWaalsContact OD1-OD1 3.04Å; D159-N162 WeakPolarHBondContact OD1-CA 3.31Å; D159-N162 PolarHBondContact OD1-N 3.19Å; D159-N162 WeakPolarHBondContact OD2-CA 3.37Å; D159-D163 PolarHBondContact OD1-N 3.47Å; D159-D163 PolarHBondContact OD2-N 2.84Å; D159-D164 WeakPolarHBondContact OD2-CA 3.45Å; D159-D164 PolarHBondContact OD2-N 3.31Å; D159-I166 HydrophobicContact CB-CG1 4.44Å
160K86.3Confident87.5Confident120 Ų12058.8 Ų58.852%0.52230%0.298SS..SBendtrans-81.6-32.1-177-71.3-162.7175.9-176.20112.6M158 N162 E173M158-K160 PolarHBondContact O-N 2.9Å; K160-N162 PolarHBondContact O-ND2 3.49Å; K160-E173 WeakPolarHBondContact CE-OE2 3.36Å; K160-E173 IonicContact NZ-OE1 2.63Å; K160-E173 PolarHBondContact NZ-OE1 3.32Å; K160-E173 IonicContact NZ-OE2 2.88Å; K160-E173 PolarHBondContact NZ-OE2 2.85Å
161N88.4Confident87.8Confident84 Ų8456.9 Ų56.945%0.44929%0.29SS..SBendtrans-88.1-10.8-175.87128.9000111.7D159 D163 E170D159-N161 PolarHBondContact OD1-N 2.87Å; D159-N161 PolarHBondContact OD1-OD1 2.89Å; D159-N161 VanDerWaalsContact OD1-OD1 3.04Å; N161-D163 PolarHBondContact ND2-OD2 2.92Å; N161-D163 VanDerWaalsContact ND2-OD2 3.15Å; N161-D163 WeakPolarHBondContact OD1-CB 3.42Å; N161-D163 PolarHBondContact OD1-N 3.04Å; N161-D163 PolarHBondContact OD1-OD1 3.39Å; N161-D163 PolarHBondContact OD1-OD2 3.05Å; N161-E170 VanDerWaalsContact CG-OE1 3.28Å; N161-E170 PolarHBondContact ND2-OE1 3.31Å
162N88Confident87.9Confident130 Ų13058.3 Ų58.370%0.69530%0.296SS*.  trans58.440.3-177.9-57.9-89.9000113D159 K160D159-N162 WeakPolarHBondContact OD1-CA 3.31Å; D159-N162 PolarHBondContact OD1-N 3.19Å; D159-N162 WeakPolarHBondContact OD2-CA 3.37Å; K160-N162 PolarHBondContact O-ND2 3.49Å
163D90.8Very high88Confident64 Ų6458.9 Ų58.934%0.34230%0.296SS..SBendtrans-93.76.9176743.5000113.4D159 N161 Q165D159-D163 PolarHBondContact OD1-N 3.47Å; D159-D163 PolarHBondContact OD2-N 2.84Å; N161-D163 PolarHBondContact ND2-OD2 2.92Å; N161-D163 VanDerWaalsContact ND2-OD2 3.15Å; N161-D163 WeakPolarHBondContact OD1-CB 3.42Å; N161-D163 PolarHBondContact OD1-N 3.04Å; N161-D163 PolarHBondContact OD1-OD1 3.39Å; N161-D163 PolarHBondContact OD1-OD2 3.05Å; D163-Q165 PolarHBondContact O-N 3.46Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.34Å; D163-Q165 VanDerWaalsContact OD1-CB 3.31Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.45Å; D163-Q165 PolarHBondContact OD1-N 2.82Å
164D88.6Confident88.1Confident85 Ų8555.1 Ų55.146%0.45528%0.281SS..SBendtrans59.920.8-176.4-76-55.7000113.5R118 F155 D159R118-D164 IonicContact CZ-OD1 2.82Å; R118-D164 IonicContact NE-OD1 2.77Å; R118-D164 PolarHBondContact NE-OD1 3.27Å; R118-D164 IonicContact NH2-OD1 2.95Å; R118-D164 PolarHBondContact NH2-OD1 2.94Å; F155-D164 WeakPolarHBondContact CE1-O 3.49Å; D159-D164 WeakPolarHBondContact OD2-CA 3.45Å; D159-D164 PolarHBondContact OD2-N 3.31Å
165Q91.9Very high88Confident60 Ų6054.8 Ų54.828%0.2828%0.28SS..EExtended strand (participates in β ladder)trans-130.2142.2176.5-60.4167.527.100109.2K115 D163K115-Q165 HydrophobicContact CB-CB 4.43Å; K115-Q165 HydrophobicContact CD-CB 4.27Å; D163-Q165 PolarHBondContact O-N 3.46Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.34Å; D163-Q165 VanDerWaalsContact OD1-CB 3.31Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.45Å; D163-Q165 PolarHBondContact OD1-N 2.82Å
166I91Very high87.7Confident0 Ų061.1 Ų61.10%031%0.308CS..EExtended strand (participates in β ladder)trans-110.6113.3175.9-63.5161.7000108K115 I116 M121 F155 M158 D159 E170 F171K115-I166 WeakPolarHBondContact CA-O 3.3Å; I116-I166 HydrophobicContact CB-CB 4.27Å; I116-I166 PolarHBondContact N-O 3.38Å; I116-I166 PolarHBondContact O-N 3.32Å; M121-I166 HydrophobicContact CE-CD1 3.61Å; F155-I166 HydrophobicContact CD1-CD1 3.87Å; F155-I166 HydrophobicContact CD1-CG1 4.07Å; F155-I166 HydrophobicContact CD2-CD1 3.85Å; F155-I166 HydrophobicContact CE1-CD1 3.64Å; F155-I166 HydrophobicContact CE1-CG1 3.73Å; F155-I166 HydrophobicContact CE2-CD1 3.63Å; F155-I166 HydrophobicContact CG-CD1 3.96Å; F155-I166 HydrophobicContact CZ-CD1 3.5Å; F155-I166 HydrophobicContact CZ-CG1 4Å; M158-I166 HydrophobicContact CB-CD1 3.83Å; M158-I166 HydrophobicContact CB-CG1 4.04Å; M158-I166 HydrophobicContact CB-CG2 4.32Å; M158-I166 HydrophobicContact CG-CD1 4.4Å; M158-I166 HydrophobicContact SD-CD1 3.72Å; M158-I166 HydrophobicContact SD-CG2 3.99Å; D159-I166 HydrophobicContact CB-CG1 4.44Å; I166-E170 HydrophobicContact CG2-CB 4.24Å; I166-F171 HydrophobicContact CG2-CB 3.94Å; I166-F171 HydrophobicContact CG2-CD2 4.38Å
167T92.6Very high87.5Confident38 Ų3861.8 Ų61.823%0.23331%0.312CS..EExtended strand (participates in β ladder)trans-77.3161.6173.961.80000111.5E169 E170 F171T167-E169 PolarHBondContact O-N 2.97Å; T167-E170 WeakPolarHBondContact CB-OE2 3.25Å; T167-E170 WeakPolarHBondContact CG2-OE2 3.49Å; T167-E170 PolarHBondContact N-OE2 3.03Å; T167-E170 PolarHBondContact O-N 2.86Å; T167-E170 WeakPolarHBondContact OG1-CG 3.28Å; T167-E170 PolarHBondContact OG1-N 3.2Å; T167-E170 PolarHBondContact OG1-OE2 2.99Å; T167-F171 WeakPolarHBondContact O-CB 3.34Å; T167-F171 PolarHBondContact O-N 2.92Å
168L89.1Confident86.9Confident58 Ų5859.2 Ų59.230%0.30430%0.303SS..Hα-helixtrans-56.5-33.6174.9-178.864000112.4F105 K172F105-L168 HydrophobicContact CB-CD1 3.65Å; F105-L168 HydrophobicContact CD1-CB 4.47Å; F105-L168 HydrophobicContact CD1-CD1 3.93Å; F105-L168 HydrophobicContact CD2-CB 4.28Å; F105-L168 HydrophobicContact CD2-CD1 3.79Å; F105-L168 HydrophobicContact CE1-CB 4.32Å; F105-L168 HydrophobicContact CE2-CB 4.11Å; F105-L168 HydrophobicContact CE2-CD1 4.46Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.49Å; F105-L168 VanDerWaalsContact CG-CD1 3.49Å; F105-L168 HydrophobicContact CZ-CB 4.14Å; L168-K172 HydrophobicContact CD1-CD 4.5Å; L168-K172 HydrophobicContact CD1-CG 4.38Å; L168-K172 HydrophobicContact CG-CD 4.28Å; L168-K172 WeakPolarHBondContact O-CB 3.17Å; L168-K172 VanDerWaalsContact O-CG 3.25Å; L168-K172 WeakPolarHBondContact O-CG 3.27Å; L168-K172 PolarHBondContact O-N 3.07Å
169E89.8Confident86.2Confident158 Ų15863.6 Ų63.674%0.73833%0.331SS*.Hα-helixtrans-68.6-48.6178.2-63.5-171.3172.100111.5T167 F171 K172 E173T167-E169 PolarHBondContact O-N 2.97Å; E169-F171 VanDerWaalsContact C-N 3.32Å; E169-F171 PolarHBondContact O-N 3.2Å; E169-K172 PolarHBondContact O-N 2.99Å; E169-E173 WeakPolarHBondContact O-CB 3.4Å; E169-E173 PolarHBondContact O-N 2.95Å
170E90Very high85Confident19 Ų1965.7 Ų65.79%0.08935%0.347CS..Hα-helixtrans-61.2-42.2175.3-75.4160.5148.800111.4N161 I166 T167 E173 A174N161-E170 VanDerWaalsContact CG-OE1 3.28Å; N161-E170 PolarHBondContact ND2-OE1 3.31Å; I166-E170 HydrophobicContact CG2-CB 4.24Å; T167-E170 WeakPolarHBondContact CB-OE2 3.25Å; T167-E170 WeakPolarHBondContact CG2-OE2 3.49Å; T167-E170 PolarHBondContact N-OE2 3.03Å; T167-E170 PolarHBondContact O-N 2.86Å; T167-E170 WeakPolarHBondContact OG1-CG 3.28Å; T167-E170 PolarHBondContact OG1-N 3.2Å; T167-E170 PolarHBondContact OG1-OE2 2.99Å; E170-E173 PolarHBondContact O-N 3.2Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.37Å; E170-A174 PolarHBondContact O-N 3.39Å
171F87.9Confident84Confident0 Ų060.1 Ų60.10%032%0.323CS..Hα-helixtrans-60.4-47.6175.5-172.7-94.3000111.8L101 A104 F105 I116 M158 I166 T167 E169 A175 L185L101-F171 HydrophobicContact CB-CE1 4.39Å; L101-F171 HydrophobicContact CD2-CE1 3.97Å; L101-F171 WeakPolarHBondContact O-CE1 3.49Å; A104-F171 HydrophobicContact CB-CE1 4.34Å; A104-F171 HydrophobicContact CB-CZ 4.14Å; F105-F171 HydrophobicContact CB-CD1 4.18Å; F105-F171 HydrophobicContact CB-CE1 4.18Å; F105-F171 HydrophobicContact CD2-CB 3.78Å; F105-F171 HydrophobicContact CD2-CD1 4.1Å; F105-F171 HydrophobicContact CD2-CD2 4.18Å; F105-F171 AromaticContact CD2-CG 3.78Å; F105-F171 HydrophobicContact CD2-CG 3.78Å; F105-F171 HydrophobicContact CE2-CB 4.18Å; I116-F171 HydrophobicContact CD1-CD2 4.05Å; I116-F171 HydrophobicContact CD1-CE2 4.27Å; M158-F171 HydrophobicContact CE-CD2 3.77Å; M158-F171 HydrophobicContact CE-CE2 3.93Å; M158-F171 HydrophobicContact SD-CD2 3.98Å; I166-F171 HydrophobicContact CG2-CB 3.94Å; I166-F171 HydrophobicContact CG2-CD2 4.38Å; T167-F171 WeakPolarHBondContact O-CB 3.34Å; T167-F171 PolarHBondContact O-N 2.92Å; E169-F171 VanDerWaalsContact C-N 3.32Å; E169-F171 PolarHBondContact O-N 3.2Å; F171-A175 WeakPolarHBondContact O-CB 3.35Å; F171-A175 PolarHBondContact O-N 2.53Å; F171-L185 HydrophobicContact CE1-CD1 4.41Å; F171-L185 HydrophobicContact CE2-CD1 3.55Å; F171-L185 HydrophobicContact CE2-CD2 4.11Å; F171-L185 HydrophobicContact CE2-CG 4.49Å; F171-L185 HydrophobicContact CZ-CD1 3.45Å; F171-L185 VanDerWaalsContact CZ-CD1 3.45Å; F171-L185 HydrophobicContact CZ-CD2 4.42Å; F171-L185 HydrophobicContact CZ-CG 4.48Å
172K86.8Confident82.9Confident35 Ų3556.6 Ų56.615%0.15230%0.304CS..Hα-helixtrans-65.1-40.3177.4-78.5178.8-178.9-176.80112E98 L101 N102 L168 E169 K176E98-K172 IonicContact OE1-NZ 3.72Å; E98-K172 PolarHBondContact OE1-NZ 2.95Å; L101-K172 HydrophobicContact CD1-CG 4.41Å; N102-K172 WeakPolarHBondContact OD1-CE 3.27Å; N102-K172 PolarHBondContact OD1-NZ 2.72Å; L168-K172 HydrophobicContact CD1-CD 4.5Å; L168-K172 HydrophobicContact CD1-CG 4.38Å; L168-K172 HydrophobicContact CG-CD 4.28Å; L168-K172 WeakPolarHBondContact O-CB 3.17Å; L168-K172 VanDerWaalsContact O-CG 3.25Å; L168-K172 WeakPolarHBondContact O-CG 3.27Å; L168-K172 PolarHBondContact O-N 3.07Å; E169-K172 PolarHBondContact O-N 2.99Å; K172-K176 WeakPolarHBondContact O-CB 3.15Å; K172-K176 VanDerWaalsContact O-CG 3.25Å; K172-K176 WeakPolarHBondContact O-CG 3.35Å; K172-K176 PolarHBondContact O-N 3.04Å
173E88.3Confident81.6Confident94 Ų9455.6 Ų55.644%0.43930%0.298SS..Hα-helixtrans-66.7-47179.4-164.8-174.2178.600110.8K160 E169 E170 A175 K176 S177K160-E173 WeakPolarHBondContact CE-OE2 3.36Å; K160-E173 IonicContact NZ-OE1 2.63Å; K160-E173 PolarHBondContact NZ-OE1 3.32Å; K160-E173 IonicContact NZ-OE2 2.88Å; K160-E173 PolarHBondContact NZ-OE2 2.85Å; E169-E173 WeakPolarHBondContact O-CB 3.4Å; E169-E173 PolarHBondContact O-N 2.95Å; E170-E173 PolarHBondContact O-N 3.2Å; E173-A175 PolarHBondContact O-N 2.98Å; E173-K176 PolarHBondContact O-N 2.88Å; E173-S177 WeakPolarHBondContact O-CB 3.5Å; E173-S177 PolarHBondContact O-N 3.41Å
174A84.6Confident80Confident8 Ų855.7 Ų55.77%0.06630%0.298CS..Hα-helixtrans-62.8-42.7177.300000112M158 E170 K176 S177 D178 I181M158-A174 HydrophobicContact CB-CB 4.16Å; M158-A174 HydrophobicContact CE-CB 4.48Å; M158-A174 HydrophobicContact CG-CB 3.57Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.37Å; E170-A174 PolarHBondContact O-N 3.39Å; A174-K176 VanDerWaalsContact C-N 3.3Å; A174-K176 PolarHBondContact O-N 3.07Å; A174-S177 PolarHBondContact O-N 3.31Å; A174-D178 PolarHBondContact O-N 3.15Å; A174-I181 HydrophobicContact CB-CD1 4.06Å
175A82.4Confident78.5Confident1 Ų152.4 Ų52.41%0.00828%0.281CS..Hα-helixtrans-62-34.7175.200000113.6L101 F171 E173 V182L101-A175 HydrophobicContact CD1-CB 3.72Å; L101-A175 HydrophobicContact CD2-CB 3.48Å; L101-A175 VanDerWaalsContact CD2-CB 3.48Å; L101-A175 HydrophobicContact CG-CB 4.26Å; F171-A175 WeakPolarHBondContact O-CB 3.35Å; F171-A175 PolarHBondContact O-N 2.53Å; E173-A175 PolarHBondContact O-N 2.98Å; A175-V182 HydrophobicContact CB-CG2 3.46Å; A175-V182 VanDerWaalsContact CB-CG2 3.46Å; A175-V182 WeakPolarHBondContact O-CG2 3.44Å
176K81.6Confident76.8Confident135 Ų13553.2 Ų53.259%0.58728%0.284SS*.Hα-helixtrans-75.6-36.9174.7-74.7173.1-177.2177.80112.1F97 K172 E173 A174F97-K176 HydrophobicContact CE1-CG 4.09Å; K172-K176 WeakPolarHBondContact O-CB 3.15Å; K172-K176 VanDerWaalsContact O-CG 3.25Å; K172-K176 WeakPolarHBondContact O-CG 3.35Å; K172-K176 PolarHBondContact O-N 3.04Å; E173-K176 PolarHBondContact O-N 2.88Å; A174-K176 VanDerWaalsContact C-N 3.3Å; A174-K176 PolarHBondContact O-N 3.07Å
177S80.8Confident74.7Confident105 Ų10555.3 Ų55.373%0.73430%0.299SS*.Hα-helixtrans-77.5-32.6-177.3-171.60000112.9E173 A174E173-S177 WeakPolarHBondContact O-CB 3.5Å; E173-S177 PolarHBondContact O-N 3.41Å; A174-S177 PolarHBondContact O-N 3.31Å
178D72.8Confident72.1Confident39 Ų3957 Ų5721%0.20931%0.306CS..  trans-13795-177.9-171.9-10.1000110K157 A174 S180 I181K157-D178 IonicContact NZ-OD2 2.88Å; K157-D178 PolarHBondContact NZ-OD2 3.22Å; A174-D178 PolarHBondContact O-N 3.15Å; D178-S180 PolarHBondContact O-N 3.45Å; D178-S180 VanDerWaalsContact O-N 3.07Å; D178-S180 WeakPolarHBondContact OD1-CB 3.17Å; D178-S180 PolarHBondContact OD1-N 2.74Å; D178-S180 PolarHBondContact OD1-OG 2.7Å; D178-S180 PolarHBondContact OD2-OG 3.32Å; D178-I181 HydrophobicContact CB-CD1 3.81Å; D178-I181 HydrophobicContact CB-CG1 3.94Å; D178-I181 VanDerWaalsContact O-CB 3.27Å; D178-I181 WeakPolarHBondContact O-CB 3.49Å; D178-I181 PolarHBondContact O-N 2.99Å
179P69.4Low69.7Low93 Ų9357 Ų5760%0.60431%0.306SS*.Hα-helixtrans-58.7-20.6177-25.334.6000113.9I181 V182 L183P179-I181 PolarHBondContact O-N 2.87Å; P179-V182 PolarHBondContact O-N 3.17Å; P179-L183 PolarHBondContact O-N 2.84Å
180S64.6Low66.8Low53 Ų5357.6 Ų57.637%0.37131%0.309SS..Hα-helixtrans-66.6-28.1175.776.70000112D178 L183 L184D178-S180 PolarHBondContact O-N 3.45Å; D178-S180 VanDerWaalsContact O-N 3.07Å; D178-S180 WeakPolarHBondContact OD1-CB 3.17Å; D178-S180 PolarHBondContact OD1-N 2.74Å; D178-S180 PolarHBondContact OD1-OG 2.7Å; D178-S180 PolarHBondContact OD2-OG 3.32Å; S180-L183 CarbonylContact O-C 3.56Å; S180-L183 WeakPolarHBondContact O-CB 3.29Å; S180-L183 PolarHBondContact O-N 3.34Å; S180-L184 VanDerWaalsContact O-CG 3.29Å; S180-L184 WeakPolarHBondContact O-CG 3.23Å; S180-L184 PolarHBondContact O-N 3.39Å
181I65.4Low63.9Low4 Ų470 Ų702%0.02136%0.362CS..Hα-helixtrans-65.4-44.2173.3-68179.9000110K157 M158 A174 D178 P179 L183 L184 L185K157-I181 HydrophobicContact CB-CD1 4.1Å; K157-I181 HydrophobicContact CD-CD1 4.13Å; K157-I181 HydrophobicContact CD-CG1 4.48Å; M158-I181 HydrophobicContact CE-CB 4.46Å; M158-I181 HydrophobicContact CE-CG2 3.02Å; M158-I181 HydrophobicContact CG-CD1 4.37Å; A174-I181 HydrophobicContact CB-CD1 4.06Å; D178-I181 HydrophobicContact CB-CD1 3.81Å; D178-I181 HydrophobicContact CB-CG1 3.94Å; D178-I181 VanDerWaalsContact O-CB 3.27Å; D178-I181 WeakPolarHBondContact O-CB 3.49Å; D178-I181 PolarHBondContact O-N 2.99Å; P179-I181 PolarHBondContact O-N 2.87Å; I181-L183 PolarHBondContact O-N 2.84Å; I181-L184 WeakPolarHBondContact O-CB 3.37Å; I181-L184 PolarHBondContact O-N 3.21Å; I181-L184 VanDerWaalsContact O-N 3.09Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 WeakPolarHBondContact O-CD1 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.48Å; I181-L185 VanDerWaalsContact O-N 3.11Å
182V63.8Low62.7Low9 Ų973.5 Ų73.56%0.05538%0.381CS..Hα-helixtrans-62-37.1174.4-176.10000110.8F97 L101 A175 P179 L184 L185 Q186F97-V182 HydrophobicContact CE2-CG1 4.31Å; F97-V182 HydrophobicContact CE2-CG2 4.26Å; F97-V182 HydrophobicContact CZ-CG2 4.1Å; L101-V182 HydrophobicContact CD2-CG2 4.05Å; A175-V182 HydrophobicContact CB-CG2 3.46Å; A175-V182 VanDerWaalsContact CB-CG2 3.46Å; A175-V182 WeakPolarHBondContact O-CG2 3.44Å; P179-V182 PolarHBondContact O-N 3.17Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.05Å; V182-L185 PolarHBondContact O-N 2.85Å; V182-Q186 HydrophobicContact CG1-CG 3.96Å; V182-Q186 VanDerWaalsContact O-CB 3.29Å; V182-Q186 WeakPolarHBondContact O-CB 3.44Å; V182-Q186 WeakPolarHBondContact O-CG 3.21Å; V182-Q186 PolarHBondContact O-N 2.86Å
183L61.3Low61.4Low109 Ų10975.5 Ų75.557%0.57139%0.393SS*.Hα-helixtrans-69.6-24.9175.8-143.686000113.6P179 S180 I181P179-L183 PolarHBondContact O-N 2.84Å; S180-L183 CarbonylContact O-C 3.56Å; S180-L183 WeakPolarHBondContact O-CB 3.29Å; S180-L183 PolarHBondContact O-N 3.34Å; I181-L183 PolarHBondContact O-N 2.84Å
184L56.9Low59.9Low66 Ų6674.4 Ų74.435%0.34639%0.39SS..Hα-helixtrans-77.2-26.8172.4-72.6167.1000111.6S180 I181 V182S180-L184 VanDerWaalsContact O-CG 3.29Å; S180-L184 WeakPolarHBondContact O-CG 3.23Å; S180-L184 PolarHBondContact O-N 3.39Å; I181-L184 WeakPolarHBondContact O-CB 3.37Å; I181-L184 PolarHBondContact O-N 3.21Å; I181-L184 VanDerWaalsContact O-N 3.09Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.05Å
185L56.9Low58.5Low17 Ų1778.4 Ų78.49%0.08941%0.409CS..Hα-helixtrans-93.6-40.4-176.4-62.5162000112.6Y108 M158 F171 I181 V182 C187Y108-L185 HydrophobicContact CD2-CD2 4.08Å; Y108-L185 HydrophobicContact CE1-CD2 3.98Å; Y108-L185 HydrophobicContact CE2-CB 4.21Å; Y108-L185 HydrophobicContact CE2-CD2 3.36Å; Y108-L185 HydrophobicContact CE2-CG 4.34Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.45Å; M158-L185 HydrophobicContact CE-CD1 3.97Å; F171-L185 HydrophobicContact CE1-CD1 4.41Å; F171-L185 HydrophobicContact CE2-CD1 3.55Å; F171-L185 HydrophobicContact CE2-CD2 4.11Å; F171-L185 HydrophobicContact CE2-CG 4.49Å; F171-L185 HydrophobicContact CZ-CD1 3.45Å; F171-L185 VanDerWaalsContact CZ-CD1 3.45Å; F171-L185 HydrophobicContact CZ-CD2 4.42Å; F171-L185 HydrophobicContact CZ-CG 4.48Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 WeakPolarHBondContact O-CD1 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.48Å; I181-L185 VanDerWaalsContact O-N 3.11Å; V182-L185 PolarHBondContact O-N 2.85Å; L185-C187 PolarHBondContact O-N 3.23Å
186Q56.8Low57Low76 Ų7683.2 Ų83.236%0.35543%0.434SS..THydrogen-bonded Turntrans-74.3105.3165.3-67.4179.3-7.300104.7V182 D188V182-Q186 HydrophobicContact CG1-CG 3.96Å; V182-Q186 VanDerWaalsContact O-CB 3.29Å; V182-Q186 WeakPolarHBondContact O-CB 3.44Å; V182-Q186 WeakPolarHBondContact O-CG 3.21Å; V182-Q186 PolarHBondContact O-N 2.86Å; Q186-D188 PolarHBondContact O-N 2.77Å
187C46.9Very low55.4Low45 Ų4579.7 Ų79.730%0.30442%0.424SS..THydrogen-bonded Turntrans-65.376.5170.1-1500000107.5I128 L185 L189I128-C187 WeakPolarHBondContact CG2-SG 3.36Å; L185-C187 PolarHBondContact O-N 3.23Å; C187-L189 WeakPolarHBondContact O-CG 3.35Å; C187-L189 PolarHBondContact O-N 2.88Å
188D38.5Very low53.5Low72 Ų7277.9 Ų77.939%0.38540%0.402SS..  trans-75.582.9-176.9-151.7-11.4000106.4M140 Q186 Q190M140-D188 VanDerWaalsContact CE-O 3.26Å; M140-D188 WeakPolarHBondContact CE-O 3.42Å; Q186-D188 PolarHBondContact O-N 2.77Å; D188-Q190 PolarHBondContact O-N 3.4Å
189L38.1Very low52.1Low58 Ų5880.9 Ų80.930%0.30442%0.417SS..  trans-76.87.3178.9-68.2164.7000111.4F56 V132 I136 M140 C187 K191F56-L189 HydrophobicContact CE1-CD1 3.61Å; F56-L189 HydrophobicContact CZ-CD1 4.04Å; V132-L189 HydrophobicContact CB-CD2 4.38Å; V132-L189 HydrophobicContact CG1-CD2 3.33Å; V132-L189 HydrophobicContact CG2-CD1 4.29Å; V132-L189 HydrophobicContact CG2-CD2 3.97Å; I136-L189 HydrophobicContact CD1-CD2 4.09Å; I136-L189 HydrophobicContact CG2-CD2 4.18Å; M140-L189 HydrophobicContact CE-CD2 4.23Å; C187-L189 WeakPolarHBondContact O-CG 3.35Å; C187-L189 PolarHBondContact O-N 2.88Å; L189-K191 PolarHBondContact O-N 2.63Å; L189-K191 VanDerWaalsContact O-N 3.16Å
190Q29.4Very low50.6Low171 Ų17179.9 Ų79.980%0.79940%0.401SS*.  trans-85.681.3175.6-64.6-163.5-2400111.2D188D188-Q190 PolarHBondContact O-N 3.4Å
191K28.8Very low49.3Very low279 Ų27982.4 Ų82.4100%1.21340%0.404SS*.  trans-135.10138-81.2-166.8-178.71750110.4L189L189-K191 PolarHBondContact O-N 2.63Å; L189-K191 VanDerWaalsContact O-N 3.16Å

Retrieved 191 of 191 residues in 431.6 ms (Link to these results)

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