A0A087XJX2_POEFO Loading...

Alkyl transferase

With NUS1, forms the dehydrodolichyl diphosphate synthase (DDS) complex, an essential component of the dolichol monophosphate (Dol-P) biosynthetic machinery. Adds multiple copies of isopentenyl pyrophosphate (IPP) to farnesyl pyrophosphate (FPP) to produce dehydrodolichyl diphosphate (Dedol-PP), a precursor of dolichol which is utilized as a sugar carrier in protein glycosylation in the endoplasmic reticulum (ER).

AlphaFold DB , UniProt , Accession A0A087XJX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M62Low83.6Confident103 Ų10366.7 Ų66.751%0.50734%0.343SS..  0136.30-70.2-58.3-97.600108.8N56 R103M1-N56 WeakPolarHBondContact CB-OD1 3.5Å; M1-N56 WeakPolarHBondContact CG-OD1 3.38Å; M1-R103 VanDerWaalsContact N-CZ 3.26Å; M1-R103 WeakPolarHBondContact O-CD 3.32Å
2S80.6Confident84.7Confident26 Ų2670.7 Ų70.718%0.18236%0.364CS..  trans-66.9156.1179.8172.90000113.2I4 E107S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact OG-N 3.45Å; S2-I4 PolarHBondContact OG-O 3.18Å; S2-I4 VanDerWaalsContact OG-O 3.08Å; S2-E107 WeakPolarHBondContact CA-OE1 3.49Å; S2-E107 VanDerWaalsContact CA-OE2 3.3Å; S2-E107 WeakPolarHBondContact CA-OE2 3.47Å; S2-E107 VanDerWaalsContact CB-CD 3.43Å; S2-E107 WeakPolarHBondContact CB-OE1 3.34Å; S2-E107 WeakPolarHBondContact CB-OE2 3.38Å; S2-E107 PolarHBondContact OG-OE1 3.25Å; S2-E107 PolarHBondContact OG-OE2 3.25Å
3W83.4Confident85.6Confident14 Ų1467 Ų675%0.05335%0.345CS..SBendtrans-70.8-30.8169.3-76.374.1000112.3F55 A59 K100 F101 L104 E107 L150 V152W3-F55 AromaticContact CD1-CZ 3.85Å; W3-F55 HydrophobicContact CD2-CE2 4.04Å; W3-F55 AromaticContact CD2-CZ 3.8Å; W3-F55 HydrophobicContact CD2-CZ 3.8Å; W3-F55 AromaticContact CE2-CE2 3.72Å; W3-F55 AromaticContact CE2-CZ 3.63Å; W3-F55 HydrophobicContact CE3-CE2 4.39Å; W3-F55 HydrophobicContact CE3-CZ 4.49Å; W3-F55 AromaticContact CG-CZ 3.95Å; W3-F55 HydrophobicContact CG-CZ 3.95Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.81Å; W3-F55 HydrophobicContact CZ2-CE2 3.81Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.62Å; W3-A59 WeakPolarHBondContact O-CB 3.43Å; W3-K100 HydrophobicContact CZ2-CB 3.93Å; W3-K100 PolarHBondContact NE1-O 3.19Å; W3-F101 HydrophobicContact CH2-CD1 4.47Å; W3-F101 HydrophobicContact CH2-CE1 4.06Å; W3-F101 HydrophobicContact CH2-CZ 4.33Å; W3-F101 HydrophobicContact CZ2-CD1 4.18Å; W3-F101 HydrophobicContact CZ2-CE1 4.21Å; W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.53Å; W3-L104 HydrophobicContact CE3-CD1 4.15Å; W3-L104 HydrophobicContact CG-CD1 3.37Å; W3-E107 PolarHBondContact N-OE2 2.93Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; W3-L150 HydrophobicContact CE3-CD2 3.67Å; W3-L150 HydrophobicContact CZ3-CD2 3.51Å; W3-V152 HydrophobicContact CH2-CG2 4.27Å; W3-V152 HydrophobicContact CZ3-CG2 4.16Å
4I81.9Confident86.4Confident28 Ų2868.1 Ų68.114%0.14435%0.345CS..SBendtrans-106.5107.8179.7-61170.9000108.4S2 N110 L111 H114 V116S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact OG-N 3.45Å; S2-I4 PolarHBondContact OG-O 3.18Å; S2-I4 VanDerWaalsContact OG-O 3.08Å; I4-N110 HydrophobicContact CD1-CB 4.23Å; I4-N110 WeakPolarHBondContact CD1-O 3.45Å; I4-L111 HydrophobicContact CD1-CD2 3.78Å; I4-L111 HydrophobicContact CD1-CG 4.22Å; I4-L111 HydrophobicContact CG1-CD2 4.4Å; I4-H114 HydrophobicContact CD1-CB 4.19Å; I4-V116 HydrophobicContact CD1-CG2 3.97Å
5R79.9Confident87.1Confident65 Ų6569.2 Ų69.225%0.24535%0.351CS..  trans-88.3115.6168.1-71.4-172.2177.7-163.70.7109.7A59 R63R5-A59 HydrophobicContact CG-CB 4.08Å; R5-R63 WeakPolarHBondContact O-CD 3.48Å; R5-R63 VanDerWaalsContact O-CG 3.27Å; R5-R63 WeakPolarHBondContact O-CG 3.46Å
6E77.3Confident87.8Confident117 Ų11767 Ų6755%0.54734%0.344SS..  trans-76.3147.2165.5-63.8-167.7158.800110K113 H114E6-K113 IonicContact OE1-NZ 2.9Å; E6-K113 PolarHBondContact OE1-NZ 3.17Å; E6-H114 IonicContact OE1-CE1 3.71Å; E6-H114 PolarHBondContact OE1-CE1 2.82Å
7G81.8Confident88.3Confident33 Ų3363.2 Ų63.234%0.3433%0.325SS..  trans152.3139.5175.800000112R63 H67G7-R63 WeakPolarHBondContact O-CD 3.34Å; G7-H67 PolarHBondContact O-NE2 2.72Å
8E89.1Confident88.8Confident131 Ų13165.5 Ų65.561%0.61234%0.338SS*.PPolyproline II helixtrans-76.9151.3179.6-72.1-67.3128.400111.8K14E8-K14 VanDerWaalsContact OE2-CE 3.25Å; E8-K14 WeakPolarHBondContact OE2-CE 3.42Å; E8-K14 IonicContact OE2-NZ 3.64Å; E8-K14 PolarHBondContact OE2-NZ 2.89Å
9L91.8Very high89.3Confident10 Ų1068.4 Ų68.45%0.05235%0.353CS..PPolyproline II helixtrans-64.7144.5164.4-67-174000110E13 K14 A17 H67 F237L9-E13 WeakPolarHBondContact CA-OE2 3.3Å; L9-E13 HydrophobicContact CB-CB 3.8Å; L9-E13 HydrophobicContact CD1-CB 4.3Å; L9-E13 HydrophobicContact CD2-CB 4.14Å; L9-E13 HydrophobicContact CG-CB 4.29Å; L9-K14 HydrophobicContact CB-CD 4.49Å; L9-K14 HydrophobicContact CB-CG 3.58Å; L9-K14 WeakPolarHBondContact O-CD 3.49Å; L9-K14 WeakPolarHBondContact O-CE 3.47Å; L9-A17 HydrophobicContact CD1-CB 3.97Å; L9-H67 HydrophobicContact CD1-CB 3.73Å; L9-H67 HydrophobicContact CD2-CB 4.28Å; L9-H67 HydrophobicContact CG-CB 3.89Å; L9-F237 HydrophobicContact CD1-CE2 4.11Å; L9-F237 HydrophobicContact CD1-CZ 4.31Å; L9-F237 HydrophobicContact CD2-CD2 4.18Å; L9-F237 HydrophobicContact CD2-CE2 3.98Å
10N94.9Very high89.7Confident77 Ų7765.7 Ų65.741%0.41234%0.339SS..PPolyproline II helixtrans-71.3171.3171.273.152.8000111.3L12 E13 K14N10-L12 VanDerWaalsContact C-N 3.34Å; N10-L12 PolarHBondContact O-N 3.29Å; N10-L12 PolarHBondContact OD1-N 3.42Å; N10-E13 PolarHBondContact N-OE2 3.19Å; N10-E13 WeakPolarHBondContact ND2-CG 3.45Å; N10-E13 PolarHBondContact ND2-OE1 2.94Å; N10-E13 PolarHBondContact ND2-OE2 2.92Å; N10-E13 PolarHBondContact O-N 3.04Å; N10-E13 WeakPolarHBondContact OD1-CG 3.49Å; N10-E13 PolarHBondContact OD1-N 2.87Å; N10-K14 WeakPolarHBondContact O-CB 3.37Å; N10-K14 WeakPolarHBondContact O-CG 3.06Å; N10-K14 PolarHBondContact O-N 3.33Å
11L96.5Very high90.1Very high130 Ų13065.2 Ų65.268%0.68134%0.336SS*.Hα-helixtrans-56.5-44.2-174.6179.962.2000113.2K14 I15L11-K14 PolarHBondContact O-N 3.46Å; L11-I15 HydrophobicContact CD1-CD1 3.99Å; L11-I15 HydrophobicContact CD1-CG1 4.34Å; L11-I15 HydrophobicContact CG-CD1 4Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.32Å
12L96.9Very high91.8Very high114 Ų11464.7 Ų64.760%0.59735%0.348SS*.Hα-helixtrans-69.2-40.4-179.6-67.4175.6000111.3N10 K14 S16 W238N10-L12 VanDerWaalsContact C-N 3.34Å; N10-L12 PolarHBondContact O-N 3.29Å; N10-L12 PolarHBondContact OD1-N 3.42Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-S16 VanDerWaalsContact O-CB 3.31Å; L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 2.78Å; L12-S16 PolarHBondContact O-OG 2.75Å; L12-W238 HydrophobicContact CB-CH2 3.94Å; L12-W238 HydrophobicContact CB-CZ2 4.31Å
13E97Very high92.5Very high23 Ų2364.9 Ų64.911%0.10735%0.354CS..Hα-helixtrans-62.2-42.5174.6-67.5172.8163.200111.1L9 N10 S16 A17 F237 W238L9-E13 WeakPolarHBondContact CA-OE2 3.3Å; L9-E13 HydrophobicContact CB-CB 3.8Å; L9-E13 HydrophobicContact CD1-CB 4.3Å; L9-E13 HydrophobicContact CD2-CB 4.14Å; L9-E13 HydrophobicContact CG-CB 4.29Å; N10-E13 PolarHBondContact N-OE2 3.19Å; N10-E13 WeakPolarHBondContact ND2-CG 3.45Å; N10-E13 PolarHBondContact ND2-OE1 2.94Å; N10-E13 PolarHBondContact ND2-OE2 2.92Å; N10-E13 PolarHBondContact O-N 3.04Å; N10-E13 WeakPolarHBondContact OD1-CG 3.49Å; N10-E13 PolarHBondContact OD1-N 2.87Å; E13-S16 PolarHBondContact O-N 3.23Å; E13-A17 WeakPolarHBondContact O-CB 3.36Å; E13-A17 PolarHBondContact O-N 2.79Å; E13-F237 HydrophobicContact CB-CD1 4.02Å; E13-F237 HydrophobicContact CB-CE1 3.71Å; E13-F237 HydrophobicContact CB-CE2 4.46Å; E13-F237 HydrophobicContact CB-CG 4.49Å; E13-F237 HydrophobicContact CB-CZ 3.96Å; E13-F237 HydrophobicContact CG-CB 4.47Å; E13-F237 HydrophobicContact CG-CD1 3.55Å; E13-F237 HydrophobicContact CG-CE1 3.79Å; E13-F237 HydrophobicContact CG-CG 3.94Å; E13-F237 HydrophobicContact CG-CZ 4.4Å; E13-W238 HydrophobicContact CG-CH2 4.24Å; E13-W238 HydrophobicContact CG-CZ2 4.12Å
14K96.4Very high93.2Very high82 Ų8266.7 Ų66.736%0.35737%0.368SS..Hα-helixtrans-62.5-48.6176.9-75.8-178.9168.5176.70112.5E8 L9 N10 L11 L12 S16 A17 N18E8-K14 VanDerWaalsContact OE2-CE 3.25Å; E8-K14 WeakPolarHBondContact OE2-CE 3.42Å; E8-K14 IonicContact OE2-NZ 3.64Å; E8-K14 PolarHBondContact OE2-NZ 2.89Å; L9-K14 HydrophobicContact CB-CD 4.49Å; L9-K14 HydrophobicContact CB-CG 3.58Å; L9-K14 WeakPolarHBondContact O-CD 3.49Å; L9-K14 WeakPolarHBondContact O-CE 3.47Å; N10-K14 WeakPolarHBondContact O-CB 3.37Å; N10-K14 WeakPolarHBondContact O-CG 3.06Å; N10-K14 PolarHBondContact O-N 3.33Å; L11-K14 PolarHBondContact O-N 3.46Å; L12-K14 VanDerWaalsContact C-N 3.35Å; K14-S16 VanDerWaalsContact C-N 3.31Å; K14-S16 PolarHBondContact O-N 3.46Å; K14-A17 PolarHBondContact O-N 3.35Å; K14-N18 WeakPolarHBondContact O-CB 3.35Å; K14-N18 VanDerWaalsContact O-CG 3.25Å; K14-N18 PolarHBondContact O-N 3Å; K14-N18 PolarHBondContact O-ND2 3.43Å
15I97.4Very high94Very high85 Ų8567.1 Ų67.144%0.43637%0.369SS..Hα-helixtrans-60-46.3177.6-68.6167.1000109.9L11 N18 I19L11-I15 HydrophobicContact CD1-CD1 3.99Å; L11-I15 HydrophobicContact CD1-CG1 4.34Å; L11-I15 HydrophobicContact CG-CD1 4Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.32Å; I15-N18 PolarHBondContact O-N 2.61Å; I15-I19 HydrophobicContact CG2-CD1 3.96Å; I15-I19 WeakPolarHBondContact O-CG1 3.25Å; I15-I19 PolarHBondContact O-N 2.79Å; I15-I19 VanDerWaalsContact O-N 3.08Å
16S97.4Very high94.9Very high34 Ų3464 Ų6424%0.23836%0.358CS..Hα-helixtrans-64.9-43.2-179.8-54.70000112L12 E13 K14 N18 I19 L20 W238L12-S16 VanDerWaalsContact O-CB 3.31Å; L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 2.78Å; L12-S16 PolarHBondContact O-OG 2.75Å; E13-S16 PolarHBondContact O-N 3.23Å; K14-S16 VanDerWaalsContact C-N 3.31Å; K14-S16 PolarHBondContact O-N 3.46Å; S16-N18 PolarHBondContact O-N 2.82Å; S16-I19 PolarHBondContact O-N 3.15Å; S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 3.34Å; S16-W238 WeakPolarHBondContact OG-CZ3 3.3Å
17A96.8Very high95.9Very high2 Ų265.6 Ų65.62%0.01736%0.363CS..Hα-helixtrans-58.3-46.517500000111.4L9 E13 K14 I19 L20 M21 L68 F237L9-A17 HydrophobicContact CD1-CB 3.97Å; E13-A17 WeakPolarHBondContact O-CB 3.36Å; E13-A17 PolarHBondContact O-N 2.79Å; K14-A17 PolarHBondContact O-N 3.35Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.31Å; A17-L20 PolarHBondContact O-N 2.85Å; A17-M21 HydrophobicContact CB-CE 4.19Å; A17-M21 WeakPolarHBondContact O-CB 3.16Å; A17-M21 VanDerWaalsContact O-CG 3.27Å; A17-M21 WeakPolarHBondContact O-CG 3.1Å; A17-M21 PolarHBondContact O-N 3.01Å; A17-L68 HydrophobicContact CB-CD2 3.62Å; A17-F237 HydrophobicContact CB-CZ 4.31Å
18N97.3Very high96.7Very high105 Ų10564.2 Ų64.256%0.56135%0.348SS*.Hα-helixtrans-62.2-39.4179-71.5-16.1000112.4K14 I15 S16 M21 A22K14-N18 WeakPolarHBondContact O-CB 3.35Å; K14-N18 VanDerWaalsContact O-CG 3.25Å; K14-N18 PolarHBondContact O-N 3Å; K14-N18 PolarHBondContact O-ND2 3.43Å; I15-N18 PolarHBondContact O-N 2.61Å; S16-N18 PolarHBondContact O-N 2.82Å; N18-M21 WeakPolarHBondContact OD1-CE 3.4Å; N18-A22 PolarHBondContact O-N 3.37Å
19I97.9Very high97.1Very high120 Ų12058 Ų5862%0.61532%0.319SS*.Hα-helixtrans-64.7-46.1175.3-67.1166.2000110.5I15 S16 A17 M21 A22I15-I19 HydrophobicContact CG2-CD1 3.96Å; I15-I19 WeakPolarHBondContact O-CG1 3.25Å; I15-I19 PolarHBondContact O-N 2.79Å; I15-I19 VanDerWaalsContact O-N 3.08Å; S16-I19 PolarHBondContact O-N 3.15Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.31Å; I19-M21 PolarHBondContact O-N 2.99Å; I19-A22 WeakPolarHBondContact O-CB 3.31Å; I19-A22 PolarHBondContact O-N 3.2Å
20L97.6Very high97.5Very high14 Ų1457.5 Ų57.57%0.07332%0.316CS..Hα-helixtrans-62.1-44.6178.1-69.6172.3000111.6S16 A17 A22 G23 M25 C241 I244 V245 Q248S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 3.34Å; A17-L20 PolarHBondContact O-N 2.85Å; L20-A22 PolarHBondContact O-N 3.13Å; L20-A22 VanDerWaalsContact O-N 3.16Å; L20-G23 PolarHBondContact O-N 3.24Å; L20-M25 HydrophobicContact CB-SD 4.28Å; L20-C241 HydrophobicContact CD1-CB 3.86Å; L20-C241 VanDerWaalsContact CD1-SG 3.58Å; L20-I244 HydrophobicContact CD1-CG2 4.49Å; L20-I244 HydrophobicContact CD2-CG2 4.27Å; L20-V245 HydrophobicContact CD2-CG2 3.58Å; L20-Q248 PolarHBondContact O-NE2 3.04Å
21M97.4Very high97.7Very high56 Ų5653.9 Ų53.928%0.27630%0.297SS..Hα-helixtrans-67.5-12.5-178.9-71.6-173.1-65.500113.9A17 N18 I19 G23 M25 N69A17-M21 HydrophobicContact CB-CE 4.19Å; A17-M21 WeakPolarHBondContact O-CB 3.16Å; A17-M21 VanDerWaalsContact O-CG 3.27Å; A17-M21 WeakPolarHBondContact O-CG 3.1Å; A17-M21 PolarHBondContact O-N 3.01Å; N18-M21 WeakPolarHBondContact OD1-CE 3.4Å; I19-M21 PolarHBondContact O-N 2.99Å; M21-G23 PolarHBondContact O-N 3.37Å; M21-M25 HydrophobicContact CG-CE 4.27Å; M21-M25 HydrophobicContact CG-CG 4.32Å; M21-M25 HydrophobicContact CG-SD 4.38Å; M21-N69 PolarHBondContact SD-ND2 2.75Å
22A97.8Very high97.8Very high93 Ų9348.1 Ų48.177%0.76927%0.266SS*.THydrogen-bonded Turntrans-72.2-1917000000112.8N18 I19 L20N18-A22 PolarHBondContact O-N 3.37Å; I19-A22 WeakPolarHBondContact O-CB 3.31Å; I19-A22 PolarHBondContact O-N 3.2Å; L20-A22 PolarHBondContact O-N 3.13Å; L20-A22 VanDerWaalsContact O-N 3.16Å
23G97.1Very high97.8Very high30 Ų3043.9 Ų43.931%0.30924%0.244SC..SBendtrans-97.7-176.8174.700000113.3L20 M21 M25L20-G23 PolarHBondContact O-N 3.24Å; M21-G23 PolarHBondContact O-N 3.37Å; G23-M25 PolarHBondContact O-N 3.4Å
24P97.9Very high97.8Very high51 Ų5144.8 Ų44.833%0.33125%0.249SC..  trans-64.9128.9173.226.6-31.2000110Y247 Q248 H251P24-Y247 HydrophobicContact CB-CE1 4.49Å; P24-Q248 HydrophobicContact CG-CG 4.21Å; P24-Q248 WeakPolarHBondContact O-CG 3.45Å; P24-Q248 PolarHBondContact O-NE2 3.35Å; P24-H251 HydrophobicContact CB-CB 4.47Å; P24-H251 HydrophobicContact CG-CB 3.93Å
25M98.3Very high97.8Very high37 Ų3741 Ų4118%0.18223%0.234CC..  trans-105144.4177.9-70.2-61.9-7100111.1L20 M21 G23 L68 I70 I244L20-M25 HydrophobicContact CB-SD 4.28Å; M21-M25 HydrophobicContact CG-CE 4.27Å; M21-M25 HydrophobicContact CG-CG 4.32Å; M21-M25 HydrophobicContact CG-SD 4.38Å; G23-M25 PolarHBondContact O-N 3.4Å; M25-L68 HydrophobicContact CE-CB 4Å; M25-L68 HydrophobicContact CE-CD2 4.31Å; M25-L68 WeakPolarHBondContact CE-O 3.48Å; M25-I70 HydrophobicContact CE-CG1 4.46Å; M25-I244 HydrophobicContact CE-CD1 4.16Å; M25-I244 HydrophobicContact CE-CG2 4.11Å; M25-I244 HydrophobicContact SD-CG2 3.85Å
26P98.3Very high97.8Very high1 Ų138 Ų381%0.00622%0.219CC..  trans-68.3134.8170.929.7-32.8000109V29 I70 D201 L202 I244 Y247P26-V29 HydrophobicContact CB-CG2 3.94Å; P26-V29 HydrophobicContact CG-CG2 3.83Å; P26-I70 HydrophobicContact CG-CD1 4.12Å; P26-I70 HydrophobicContact CG-CG1 4.43Å; P26-D201 HydrophobicContact CB-CB 3.64Å; P26-L202 HydrophobicContact CB-CB 4.34Å; P26-I244 HydrophobicContact CG-CG1 4.28Å; P26-Y247 HydrophobicContact CB-CD1 4.2Å; P26-Y247 HydrophobicContact CB-CE1 4.14Å; P26-Y247 HydrophobicContact CB-CG 4.42Å; P26-Y247 HydrophobicContact CG-CD1 4.28Å
27K98.1Very high97.7Very high150 Ų15041.5 Ų41.565%0.65223%0.226SC*.SBendtrans-85.9-30.3174.5-63.9-179179.51790111.3P71 E72 D201K27-P71 WeakPolarHBondContact O-CD 3.35Å; K27-P71 WeakPolarHBondContact O-CG 3.27Å; K27-E72 PolarHBondContact O-N 3.04Å; K27-D201 WeakPolarHBondContact CA-OD2 3.31Å; K27-D201 PolarHBondContact N-OD2 3.44Å
28H98.7Very high97.7Very high4 Ų445.6 Ų45.62%0.01924%0.242CC..EExtended strand (participates in β ladder)trans-132.2121.6179.1-178.7-172.2000111.1E72 T74 P198 D201 L202H28-E72 WeakPolarHBondContact CA-O 3.37Å; H28-E72 HydrophobicContact CB-CB 4.2Å; H28-E72 HydrophobicContact CB-CG 4.45Å; H28-E72 PolarHBondContact CD2-O 3.11Å; H28-T74 PolarHBondContact CE1-OG1 3.16Å; H28-T74 VanDerWaalsContact CE1-OG1 3.25Å; H28-T74 WeakPolarHBondContact NE2-CB 3.1Å; H28-T74 PolarHBondContact NE2-OG1 3.3Å; H28-P198 HydrophobicContact CB-CG 4.45Å; H28-P198 PolarHBondContact CE1-O 2.75Å; H28-P198 PolarHBondContact ND1-O 3Å; H28-D201 PolarHBondContact N-OD2 3.42Å; H28-D201 PolarHBondContact O-N 2.85Å; H28-L202 PolarHBondContact O-N 2.82Å
29V98.8Very high97.7Very high0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-114.4130.4175.2-175.40000111P26 F31 I70 E72 V73 T74 L202 I204P26-V29 HydrophobicContact CB-CG2 3.94Å; P26-V29 HydrophobicContact CG-CG2 3.83Å; V29-F31 HydrophobicContact CB-CE2 4.04Å; V29-F31 HydrophobicContact CB-CZ 4.47Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.46Å; V29-F31 VanDerWaalsContact CG1-CE2 3.46Å; V29-F31 HydrophobicContact CG1-CZ 3.58Å; V29-I70 HydrophobicContact CB-CG2 4.42Å; V29-I70 HydrophobicContact CG2-CD1 4.06Å; V29-I70 HydrophobicContact CG2-CG2 3.78Å; V29-E72 PolarHBondContact N-O 2.91Å; V29-V73 CarbonylContact O-C 3.59Å; V29-V73 VanDerWaalsContact O-CA 3.25Å; V29-V73 WeakPolarHBondContact O-CA 3.19Å; V29-T74 PolarHBondContact O-N 3.38Å; V29-L202 CarbonylContact C-O 3.54Å; V29-L202 WeakPolarHBondContact CA-O 3.41Å; V29-L202 HydrophobicContact CG1-CB 4.4Å; V29-L202 HydrophobicContact CG1-CD2 4.26Å; V29-L202 HydrophobicContact CG1-CG 4.22Å; V29-L202 HydrophobicContact CG2-CB 4.29Å; V29-L202 HydrophobicContact CG2-CD2 4.31Å; V29-I204 HydrophobicContact CG1-CD1 3.79Å; V29-I204 HydrophobicContact CG1-CG1 4.23Å
30A98.9Very high97.6Very high0 Ų035.7 Ų35.70%019%0.189CC..EExtended strand (participates in β ladder)trans-105.7141.1174.600000111.4T74 P200 L202 L203 I204 F215 L216A30-T74 CarbonylContact C-O 3.59Å; A30-T74 WeakPolarHBondContact CA-O 3.36Å; A30-P200 HydrophobicContact CB-CB 3.99Å; A30-P200 HydrophobicContact CB-CG 3.91Å; A30-L202 PolarHBondContact N-O 3.11Å; A30-L203 HydrophobicContact CB-CD1 3.53Å; A30-L203 WeakPolarHBondContact O-CA 3.36Å; A30-I204 PolarHBondContact O-N 2.92Å; A30-F215 HydrophobicContact CB-CE1 4.17Å; A30-L216 HydrophobicContact CB-CD1 3.72Å
31F98.9Very high97.5Very high1 Ų141.2 Ų41.20%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-124.9127.6-179-65.8-91.7000112.8V29 M33 T61 V73 T74 V75 Y76 I204 W232 Y235 L240V29-F31 HydrophobicContact CB-CE2 4.04Å; V29-F31 HydrophobicContact CB-CZ 4.47Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.46Å; V29-F31 VanDerWaalsContact CG1-CE2 3.46Å; V29-F31 HydrophobicContact CG1-CZ 3.58Å; F31-M33 HydrophobicContact CB-CG 4.13Å; F31-T61 HydrophobicContact CE1-CG2 4.04Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; F31-V73 HydrophobicContact CD2-CG1 3.69Å; F31-V73 HydrophobicContact CE2-CG1 3.77Å; F31-T74 PolarHBondContact N-O 3.48Å; F31-V75 HydrophobicContact CB-CG1 4.22Å; F31-V75 HydrophobicContact CD2-CG1 4.34Å; F31-Y76 PolarHBondContact O-N 3.35Å; F31-I204 CarbonylContact C-O 3.56Å; F31-I204 WeakPolarHBondContact CA-O 3.27Å; F31-I204 HydrophobicContact CD1-CB 3.86Å; F31-I204 HydrophobicContact CD1-CD1 4.2Å; F31-I204 HydrophobicContact CD1-CG2 4.2Å; F31-I204 HydrophobicContact CE1-CB 4.08Å; F31-I204 HydrophobicContact CE1-CD1 3.53Å; F31-I204 HydrophobicContact CE1-CG1 4.31Å; F31-I204 HydrophobicContact CE1-CG2 4.36Å; F31-I204 HydrophobicContact CZ-CD1 3.97Å; F31-W232 HydrophobicContact CB-CZ3 4.44Å; F31-W232 HydrophobicContact CD1-CH2 4.2Å; F31-W232 AromaticContact CD1-CZ3 3.8Å; F31-W232 HydrophobicContact CD1-CZ3 3.8Å; F31-W232 HydrophobicContact CE1-CZ3 4.39Å; F31-W232 HydrophobicContact CG-CH2 4.38Å; F31-W232 HydrophobicContact CG-CZ3 4.33Å; F31-Y235 HydrophobicContact CE1-CE1 4.09Å; F31-L240 HydrophobicContact CE1-CD1 4.41Å; F31-L240 HydrophobicContact CZ-CD1 3.98Å
32I98.7Very high97.5Very high9 Ų944.6 Ų44.65%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-94.3101.4161.4-57174.6000107.6D34 L203 I204 R205 T206 L212 F215I32-D34 VanDerWaalsContact C-N 3.29Å; I32-D34 HydrophobicContact CG2-CB 4.4Å; I32-D34 PolarHBondContact O-N 3.21Å; I32-L203 HydrophobicContact CD1-CD1 4.48Å; I32-L203 HydrophobicContact CD1-CD2 4.46Å; I32-L203 HydrophobicContact CG1-CD1 4.26Å; I32-I204 PolarHBondContact N-O 3.15Å; I32-R205 HydrophobicContact CB-CB 3.97Å; I32-R205 HydrophobicContact CB-CG 3.94Å; I32-R205 HydrophobicContact CD1-CB 4.22Å; I32-R205 HydrophobicContact CD1-CG 4.42Å; I32-R205 HydrophobicContact CG1-CB 4.5Å; I32-R205 HydrophobicContact CG2-CG 4.02Å; I32-T206 PolarHBondContact O-N 3.2Å; I32-T206 PolarHBondContact O-OG1 2.72Å; I32-L212 WeakPolarHBondContact CD1-O 3.4Å; I32-F215 HydrophobicContact CD1-CB 4.07Å; I32-F215 HydrophobicContact CD1-CD1 3.81Å; I32-F215 HydrophobicContact CD1-CG 4.33Å; I32-F215 HydrophobicContact CG1-CB 4.33Å; I32-F215 HydrophobicContact CG1-CD1 3.39Å; I32-F215 HydrophobicContact CG1-CE1 3.9Å; I32-F215 HydrophobicContact CG1-CG 4.08Å
33M97.7Very high97.4Very high25 Ų2545.5 Ų45.512%0.12322%0.218CC..  trans-82.861.3-172.4-59.1-175.5-61.600112.4F31 N36 L58 V75 A77 W232F31-M33 HydrophobicContact CB-CG 4.13Å; M33-N36 PolarHBondContact O-ND2 3.13Å; M33-L58 HydrophobicContact SD-CB 4.21Å; M33-L58 HydrophobicContact SD-CD1 4.06Å; M33-L58 HydrophobicContact SD-CD2 4.36Å; M33-L58 HydrophobicContact SD-CG 4.45Å; M33-V75 HydrophobicContact CE-CB 3.78Å; M33-V75 HydrophobicContact CE-CG2 4Å; M33-V75 HydrophobicContact SD-CB 3.95Å; M33-V75 HydrophobicContact SD-CG1 4.2Å; M33-A77 HydrophobicContact CE-CB 4.33Å; M33-W232 HydrophobicContact CB-CB 4.43Å; M33-W232 HydrophobicContact CB-CD2 3.61Å; M33-W232 HydrophobicContact CB-CE3 4.15Å; M33-W232 HydrophobicContact CB-CG 3.71Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.7Å; M33-W232 VanDerWaalsContact CG-CE2 3.46Å; M33-W232 HydrophobicContact CG-CE3 3.97Å; M33-W232 HydrophobicContact CG-CG 4.33Å; M33-W232 HydrophobicContact CG-CH2 3.81Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 4.03Å; M33-W232 HydrophobicContact SD-CD2 4.39Å; M33-W232 VanDerWaalsContact SD-CE2 3.53Å; M33-W232 HydrophobicContact SD-CH2 4.02Å; M33-W232 HydrophobicContact SD-CZ2 3.31Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.48Å
34D97.1Very high97.4Very high41 Ų4153.6 Ų53.622%0.21925%0.245CC..  trans-88.5156.2-174.5-164.8-5000112.6I32 R38 R205 T206 S207 W232I32-D34 VanDerWaalsContact C-N 3.29Å; I32-D34 HydrophobicContact CG2-CB 4.4Å; I32-D34 PolarHBondContact O-N 3.21Å; D34-R38 VanDerWaalsContact CG-NH2 3.33Å; D34-R38 IonicContact OD1-NH2 2.79Å; D34-R38 PolarHBondContact OD1-NH2 2.86Å; D34-R38 IonicContact OD2-NH2 3.13Å; D34-R38 PolarHBondContact OD2-NH2 3.46Å; D34-R205 IonicContact OD2-CZ 3.62Å; D34-R205 IonicContact OD2-NE 2.82Å; D34-R205 IonicContact OD2-NH2 2.78Å; D34-R205 PolarHBondContact OD2-NH2 2.9Å; D34-T206 PolarHBondContact N-OG1 3.12Å; D34-T206 VanDerWaalsContact N-OG1 3.07Å; D34-T206 PolarHBondContact O-OG1 3.25Å; D34-T206 VanDerWaalsContact O-OG1 3.09Å; D34-S207 WeakPolarHBondContact CB-OG 3.49Å; D34-S207 PolarHBondContact OD2-OG 3.2Å; D34-W232 WeakPolarHBondContact O-CB 3.42Å; D34-W232 PolarHBondContact O-N 3.01Å
35G96.7Very high97.2Very high3 Ų354.4 Ų54.43%0.03125%0.246CC..  trans103.80.3173.800000115.5R37 R38 F39G35-R37 PolarHBondContact O-N 3.01Å; G35-R38 PolarHBondContact O-N 2.81Å; G35-R38 VanDerWaalsContact O-N 3.15Å; G35-F39 WeakPolarHBondContact O-CB 3.19Å; G35-F39 PolarHBondContact O-N 3Å
36N96.6Very high96.9Very high22 Ų2259.3 Ų59.312%0.11827%0.268CS..Hα-helixtrans-53.9-46.7-179.6-62.2-37.5000113.3M33 F39 A40 P233M33-N36 PolarHBondContact O-ND2 3.13Å; N36-F39 WeakPolarHBondContact O-CB 3.38Å; N36-F39 PolarHBondContact O-N 3.45Å; N36-A40 PolarHBondContact O-N 2.81Å; N36-P233 WeakPolarHBondContact OD1-CD 3.38Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.39Å
37R94.6Very high96.5Very high107 Ų10765.5 Ų65.540%0.40429%0.292SS..Hα-helixtrans-67.2-41178.4-61.3-176.9-60.9-175.14112.6G35 F39 A40 L41 E89G35-R37 PolarHBondContact O-N 3.01Å; R37-F39 VanDerWaalsContact C-N 3.28Å; R37-F39 PolarHBondContact O-N 3.33Å; R37-A40 PolarHBondContact O-N 3.24Å; R37-L41 WeakPolarHBondContact O-CG 3.26Å; R37-L41 PolarHBondContact O-N 3.09Å; R37-E89 WeakPolarHBondContact CD-OE1 3.35Å; R37-E89 IonicContact NH1-OE1 3.43Å; R37-E89 PolarHBondContact NH1-OE1 3.48Å
38R96.8Very high96.1Very high89 Ų8962.6 Ų62.634%0.33628%0.28SS..Hα-helixtrans-63.5-37.4176.1-77.5175-82.4-169-8.4111D34 G35 K42 S207 E209 L231D34-R38 VanDerWaalsContact CG-NH2 3.33Å; D34-R38 IonicContact OD1-NH2 2.79Å; D34-R38 PolarHBondContact OD1-NH2 2.86Å; D34-R38 IonicContact OD2-NH2 3.13Å; D34-R38 PolarHBondContact OD2-NH2 3.46Å; G35-R38 PolarHBondContact O-N 2.81Å; G35-R38 VanDerWaalsContact O-N 3.15Å; R38-K42 WeakPolarHBondContact O-CB 3.43Å; R38-K42 PolarHBondContact O-N 3.15Å; R38-S207 PolarHBondContact NH1-O 3.31Å; R38-S207 PolarHBondContact NH2-OG 2.89Å; R38-E209 IonicContact CZ-OE1 3.71Å; R38-E209 IonicContact NH1-OE1 3.36Å; R38-E209 PolarHBondContact NH1-OE1 2.99Å; R38-E209 IonicContact NH2-OE1 2.79Å; R38-L231 HydrophobicContact CB-CD1 4.12Å; R38-L231 HydrophobicContact CB-CD2 3.94Å
39F97.8Very high95.8Very high15 Ų1564.9 Ų64.97%0.06629%0.293CS..Hα-helixtrans-66.1-46.4174.9171.8-96000111.9G35 N36 R37 L41 K42 K43 L45 Q53 L231 P233 E234G35-F39 WeakPolarHBondContact O-CB 3.19Å; G35-F39 PolarHBondContact O-N 3Å; N36-F39 WeakPolarHBondContact O-CB 3.38Å; N36-F39 PolarHBondContact O-N 3.45Å; R37-F39 VanDerWaalsContact C-N 3.28Å; R37-F39 PolarHBondContact O-N 3.33Å; F39-L41 VanDerWaalsContact C-N 3.32Å; F39-L41 PolarHBondContact O-N 3.07Å; F39-K42 WeakPolarHBondContact O-CB 3.45Å; F39-K42 PolarHBondContact O-N 3.01Å; F39-K43 HydrophobicContact CD2-CG 4.11Å; F39-K43 HydrophobicContact CE1-CG 4.15Å; F39-K43 HydrophobicContact CE2-CD 4.36Å; F39-K43 HydrophobicContact CE2-CG 3.68Å; F39-K43 HydrophobicContact CZ-CG 3.71Å; F39-K43 PolarHBondContact O-N 2.76Å; F39-L45 HydrophobicContact CE1-CD1 4.35Å; F39-Q53 HydrophobicContact CE1-CB 4.02Å; F39-Q53 HydrophobicContact CE1-CG 4.13Å; F39-L231 HydrophobicContact CB-CB 4.38Å; F39-L231 HydrophobicContact CB-CD1 3.98Å; F39-P233 HydrophobicContact CB-CB 4.29Å; F39-P233 HydrophobicContact CB-CG 3.83Å; F39-P233 HydrophobicContact CD1-CB 3.59Å; F39-P233 HydrophobicContact CD1-CG 3.67Å; F39-P233 HydrophobicContact CD2-CB 3.9Å; F39-P233 HydrophobicContact CD2-CG 4.38Å; F39-P233 HydrophobicContact CE1-CB 3.76Å; F39-P233 HydrophobicContact CE1-CG 4.31Å; F39-P233 HydrophobicContact CE2-CB 4.04Å; F39-P233 HydrophobicContact CG-CB 3.64Å; F39-P233 HydrophobicContact CG-CG 3.69Å; F39-P233 HydrophobicContact CZ-CB 3.96Å; F39-E234 HydrophobicContact CD2-CG 3.51Å; F39-E234 HydrophobicContact CE2-CG 3.53Å
40A96.4Very high95.5Very high1 Ų164.9 Ų64.91%0.00829%0.293CS..Hα-helixtrans-55.9-48.6175.600000111.2N36 R37 K42 K43 K44 L45 E46N36-A40 PolarHBondContact O-N 2.81Å; R37-A40 PolarHBondContact O-N 3.24Å; A40-K42 PolarHBondContact O-N 2.96Å; A40-K43 CarbonylContact O-C 3.5Å; A40-K43 PolarHBondContact O-N 3.46Å; A40-K44 PolarHBondContact O-N 2.79Å; A40-L45 HydrophobicContact CB-CB 4.41Å; A40-L45 PolarHBondContact O-N 3.15Å; A40-E46 WeakPolarHBondContact CB-O 3.33Å
41L96.1Very high95.3Very high131 Ų13166.1 Ų66.169%0.68630%0.298SS*.Hα-helixtrans-58.7-47.3175.3-69.7171.2000112.2R37 F39 K43 K44R37-L41 WeakPolarHBondContact O-CG 3.26Å; R37-L41 PolarHBondContact O-N 3.09Å; F39-L41 VanDerWaalsContact C-N 3.32Å; F39-L41 PolarHBondContact O-N 3.07Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 3.03Å; L41-K44 PolarHBondContact O-N 2.96Å; L41-K44 VanDerWaalsContact O-N 3.17Å
42K96.7Very high95Very high127 Ų12769 Ų6955%0.55231%0.312SS*.Hα-helixtrans-58.4-36.5177.8-177.7-174-178.9-1700112.3R38 F39 A40 L231 E234R38-K42 WeakPolarHBondContact O-CB 3.43Å; R38-K42 PolarHBondContact O-N 3.15Å; F39-K42 WeakPolarHBondContact O-CB 3.45Å; F39-K42 PolarHBondContact O-N 3.01Å; A40-K42 PolarHBondContact O-N 2.96Å; K42-L231 HydrophobicContact CD-CD1 4.26Å; K42-E234 IonicContact NZ-OE1 2.61Å; K42-E234 PolarHBondContact NZ-OE1 3.01Å; K42-E234 IonicContact NZ-OE2 3.91Å; K42-E234 PolarHBondContact NZ-OE2 3.37Å
43K96.1Very high94.8Very high111 Ų11172.6 Ų72.648%0.48333%0.329SS..Hα-helixtrans-94.22-178.8-64.7-64.3-174.7176.70113.9F39 A40 L41 L45F39-K43 HydrophobicContact CD2-CG 4.11Å; F39-K43 HydrophobicContact CE1-CG 4.15Å; F39-K43 HydrophobicContact CE2-CD 4.36Å; F39-K43 HydrophobicContact CE2-CG 3.68Å; F39-K43 HydrophobicContact CZ-CG 3.71Å; F39-K43 PolarHBondContact O-N 2.76Å; A40-K43 CarbonylContact O-C 3.5Å; A40-K43 PolarHBondContact O-N 3.46Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 3.03Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 HydrophobicContact CB-CD1 3.79Å; K43-L45 HydrophobicContact CB-CG 3.82Å; K43-L45 PolarHBondContact O-N 2.86Å
44K96.3Very high94.7Very high200 Ų20071.5 Ų71.587%0.8733%0.325SS*.THydrogen-bonded Turntrans54.641.4-174-55.1-180178.8-178.80112.6A40 L41A40-K44 PolarHBondContact O-N 2.79Å; L41-K44 PolarHBondContact O-N 2.96Å; L41-K44 VanDerWaalsContact O-N 3.17Å
45L94.1Very high94.6Very high69 Ų6970.7 Ų70.736%0.36132%0.319SS..  trans-105.7161.6176.1-60.3174.2000110.2F39 A40 K43 D49F39-L45 HydrophobicContact CE1-CD1 4.35Å; A40-L45 HydrophobicContact CB-CB 4.41Å; A40-L45 PolarHBondContact O-N 3.15Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 HydrophobicContact CB-CD1 3.79Å; K43-L45 HydrophobicContact CB-CG 3.82Å; K43-L45 PolarHBondContact O-N 2.86Å; L45-D49 HydrophobicContact CB-CB 4.14Å
46E91.9Very high94.5Very high140 Ų14071.7 Ų71.765%0.65432%0.324SS*.  trans-66.2154.2169.9-69.8-58.9144.700111.2A40 H48 D49 G50A40-E46 WeakPolarHBondContact CB-O 3.33Å; E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 2.66Å; E46-D49 PolarHBondContact O-N 3.09Å; E46-D49 VanDerWaalsContact O-N 3.11Å; E46-G50 PolarHBondContact O-N 3.14Å
47R89.8Confident94.5Very high131 Ų13172 Ų7249%0.49432%0.324SS..Hα-helixtrans-58.2-41.5-178.9-67.8-175.3-173.2166.111.4111.9D49 G50 H51 E89R47-D49 VanDerWaalsContact C-N 3.29Å; R47-D49 PolarHBondContact O-N 2.98Å; R47-G50 PolarHBondContact O-N 3.1Å; R47-G50 VanDerWaalsContact O-N 3.13Å; R47-H51 PolarHBondContact O-CD2 2.91Å; R47-H51 PolarHBondContact O-N 3.27Å; R47-H51 VanDerWaalsContact O-N 3.16Å; R47-E89 IonicContact CZ-OE2 2.82Å; R47-E89 IonicContact NH1-OE2 3.88Å; R47-E89 PolarHBondContact NH1-OE2 3.34Å
48H90Very high94.6Very high88 Ų8867.3 Ų67.341%0.40731%0.307SS..Hα-helixtrans-54.7-45.2176.7173.5-90.7000111.6E46 G50 H51 M52E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 2.66Å; H48-G50 VanDerWaalsContact C-N 3.3Å; H48-G50 PolarHBondContact O-N 2.97Å; H48-H51 WeakPolarHBondContact O-CB 3.33Å; H48-H51 PolarHBondContact O-N 3.36Å; H48-H51 VanDerWaalsContact O-N 3.09Å; H48-M52 PolarHBondContact O-N 2.94Å
49D91.3Very high94.4Very high53 Ų5363.2 Ų63.228%0.28329%0.292SS..Hα-helixtrans-65.8-34.3179.4-62.7-32.4000112.2L45 E46 R47 H51 M52 Q53L45-D49 HydrophobicContact CB-CB 4.14Å; E46-D49 PolarHBondContact O-N 3.09Å; E46-D49 VanDerWaalsContact O-N 3.11Å; R47-D49 VanDerWaalsContact C-N 3.29Å; R47-D49 PolarHBondContact O-N 2.98Å; D49-H51 VanDerWaalsContact C-N 3.33Å; D49-H51 PolarHBondContact O-N 2.96Å; D49-M52 PolarHBondContact O-N 3.27Å; D49-Q53 WeakPolarHBondContact O-CB 3.48Å; D49-Q53 VanDerWaalsContact O-CG 3.25Å; D49-Q53 WeakPolarHBondContact O-CG 3.47Å; D49-Q53 PolarHBondContact O-N 3.23Å
50G94.2Very high94.3Very high0 Ų064.4 Ų64.40%030%0.298CS..Hα-helixtrans-59.6-42.5171.100000112.8E46 R47 H48 Q53 G54E46-G50 PolarHBondContact O-N 3.14Å; R47-G50 PolarHBondContact O-N 3.1Å; R47-G50 VanDerWaalsContact O-N 3.13Å; H48-G50 VanDerWaalsContact C-N 3.3Å; H48-G50 PolarHBondContact O-N 2.97Å; G50-Q53 PolarHBondContact O-N 2.87Å; G50-G54 PolarHBondContact O-N 3.03Å
51H93.1Very high94.4Very high26 Ų2664.4 Ų64.412%0.1230%0.298CS..Hα-helixtrans-69.7-40.2176.3-73.4-69.9000112.5R47 H48 D49 Q53 G54 F55 L93 L96R47-H51 PolarHBondContact O-CD2 2.91Å; R47-H51 PolarHBondContact O-N 3.27Å; R47-H51 VanDerWaalsContact O-N 3.16Å; H48-H51 WeakPolarHBondContact O-CB 3.33Å; H48-H51 PolarHBondContact O-N 3.36Å; H48-H51 VanDerWaalsContact O-N 3.09Å; D49-H51 VanDerWaalsContact C-N 3.33Å; D49-H51 PolarHBondContact O-N 2.96Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.42Å; H51-G54 WeakPolarHBondContact O-CA 3.5Å; H51-G54 PolarHBondContact O-N 3.32Å; H51-G54 VanDerWaalsContact O-N 3.09Å; H51-F55 PolarHBondContact O-N 3.04Å; H51-L93 HydrophobicContact CB-CD2 4.17Å; H51-L96 HydrophobicContact CB-CD2 3.87Å
52M93Very high94.3Very high60 Ų6059.8 Ų59.830%0.29627%0.273SS..Hα-helixtrans-61-40.2174.2-179.3155.453.700112H48 D49 G54 F55 N56H48-M52 PolarHBondContact O-N 2.94Å; D49-M52 PolarHBondContact O-N 3.27Å; M52-G54 VanDerWaalsContact C-N 3.34Å; M52-F55 PolarHBondContact O-N 3.42Å; M52-N56 PolarHBondContact O-N 3.09Å
53Q95.3Very high94.2Very high85 Ų8555.9 Ų55.940%0.39726%0.255SS..Hα-helixtrans-68-34.4173-68.2-75.248.500112.5F39 D49 G50 H51 F55 N56 K57 P233F39-Q53 HydrophobicContact CE1-CB 4.02Å; F39-Q53 HydrophobicContact CE1-CG 4.13Å; D49-Q53 WeakPolarHBondContact O-CB 3.48Å; D49-Q53 VanDerWaalsContact O-CG 3.25Å; D49-Q53 WeakPolarHBondContact O-CG 3.47Å; D49-Q53 PolarHBondContact O-N 3.23Å; G50-Q53 PolarHBondContact O-N 2.87Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.42Å; Q53-F55 VanDerWaalsContact C-N 3.35Å; Q53-N56 WeakPolarHBondContact O-CB 3.25Å; Q53-N56 PolarHBondContact O-N 3.49Å; Q53-N56 PolarHBondContact OE1-ND2 3.03Å; Q53-K57 PolarHBondContact O-N 3.01Å; Q53-P233 HydrophobicContact CB-CB 4.09Å
54G96Very high94.2Very high3 Ų350.9 Ų50.93%0.03123%0.233CC..Hα-helixtrans-59.8-43.4170.800000112.5G50 H51 M52 K57 L58 W232G50-G54 PolarHBondContact O-N 3.03Å; H51-G54 WeakPolarHBondContact O-CA 3.5Å; H51-G54 PolarHBondContact O-N 3.32Å; H51-G54 VanDerWaalsContact O-N 3.09Å; M52-G54 VanDerWaalsContact C-N 3.34Å; G54-K57 PolarHBondContact O-N 2.95Å; G54-L58 PolarHBondContact O-N 2.85Å; G54-W232 VanDerWaalsContact CA-CD1 3.45Å; G54-W232 PolarHBondContact O-NE1 2.94Å
55F94.4Very high94.3Very high24 Ų2441.4 Ų41.411%0.10519%0.192CC..Hα-helixtrans-64.1-42.3174179.6-90.6000112.2W3 H51 M52 Q53 K57 L58 A59 K100W3-F55 AromaticContact CD1-CZ 3.85Å; W3-F55 HydrophobicContact CD2-CE2 4.04Å; W3-F55 AromaticContact CD2-CZ 3.8Å; W3-F55 HydrophobicContact CD2-CZ 3.8Å; W3-F55 AromaticContact CE2-CE2 3.72Å; W3-F55 AromaticContact CE2-CZ 3.63Å; W3-F55 HydrophobicContact CE3-CE2 4.39Å; W3-F55 HydrophobicContact CE3-CZ 4.49Å; W3-F55 AromaticContact CG-CZ 3.95Å; W3-F55 HydrophobicContact CG-CZ 3.95Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.81Å; W3-F55 HydrophobicContact CZ2-CE2 3.81Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.62Å; H51-F55 PolarHBondContact O-N 3.04Å; M52-F55 PolarHBondContact O-N 3.42Å; Q53-F55 VanDerWaalsContact C-N 3.35Å; F55-K57 PolarHBondContact O-N 2.97Å; F55-L58 WeakPolarHBondContact O-CB 3.47Å; F55-L58 PolarHBondContact O-N 3.18Å; F55-L58 VanDerWaalsContact O-N 3.1Å; F55-A59 PolarHBondContact O-N 3.36Å; F55-K100 HydrophobicContact CD1-CD 3.73Å; F55-K100 HydrophobicContact CD1-CG 4.13Å; F55-K100 HydrophobicContact CD2-CB 4.39Å; F55-K100 HydrophobicContact CD2-CD 4.23Å; F55-K100 HydrophobicContact CD2-CG 3.7Å; F55-K100 HydrophobicContact CE1-CD 3.53Å; F55-K100 HydrophobicContact CE1-CG 4.02Å; F55-K100 HydrophobicContact CE2-CB 3.82Å; F55-K100 HydrophobicContact CE2-CD 4.06Å; F55-K100 HydrophobicContact CE2-CG 3.56Å; F55-K100 HydrophobicContact CG-CD 4.07Å; F55-K100 HydrophobicContact CG-CG 3.98Å; F55-K100 HydrophobicContact CZ-CB 3.98Å; F55-K100 HydrophobicContact CZ-CD 3.7Å; F55-K100 HydrophobicContact CZ-CG 3.72Å
56N94.2Very high94.2Very high23 Ų2342.5 Ų42.512%0.12319%0.194CC..Hα-helixtrans-57.7-38.2175.4-75.3-24.4000112M1 M52 Q53 E60M1-N56 WeakPolarHBondContact CB-OD1 3.5Å; M1-N56 WeakPolarHBondContact CG-OD1 3.38Å; M52-N56 PolarHBondContact O-N 3.09Å; Q53-N56 WeakPolarHBondContact O-CB 3.25Å; Q53-N56 PolarHBondContact O-N 3.49Å; Q53-N56 PolarHBondContact OE1-ND2 3.03Å; N56-E60 PolarHBondContact O-N 3.37Å
57K97.3Very high94.4Very high28 Ų2838.3 Ų38.312%0.12217%0.174CC..Hα-helixtrans-69.7-34.8176.7-173.459.259.4177.90112.9Q53 G54 F55 E60 T61 W64 W232 P233 Y235Q53-K57 PolarHBondContact O-N 3.01Å; G54-K57 PolarHBondContact O-N 2.95Å; F55-K57 PolarHBondContact O-N 2.97Å; K57-E60 WeakPolarHBondContact CE-OE2 3.48Å; K57-E60 IonicContact NZ-OE2 2.75Å; K57-E60 PolarHBondContact NZ-OE2 3.09Å; K57-E60 PolarHBondContact O-N 3.49Å; K57-T61 WeakPolarHBondContact O-CB 3.38Å; K57-T61 PolarHBondContact O-N 3.28Å; K57-T61 PolarHBondContact O-OG1 2.86Å; K57-W64 HydrophobicContact CD-CH2 4.26Å; K57-W64 HydrophobicContact CD-CZ3 4.34Å; K57-W232 HydrophobicContact CB-CZ2 4.41Å; K57-W232 HydrophobicContact CG-CD2 4.41Å; K57-W232 HydrophobicContact CG-CZ2 4.18Å; K57-W232 WeakPolarHBondContact CG-O 3.48Å; K57-P233 WeakPolarHBondContact CE-O 3.4Å; K57-Y235 VanDerWaalsContact CD-O 3.23Å; K57-Y235 WeakPolarHBondContact CD-O 3.44Å; K57-Y235 WeakPolarHBondContact CE-O 3.44Å; K57-Y235 PolarHBondContact NZ-O 3.34Å
58L96.5Very high94.7Very high10 Ų1032.1 Ų32.15%0.05215%0.151CC..Hα-helixtrans-56.8-54.6172.4173.159000110.9M33 G54 F55 E60 T61 L62 V75 W232M33-L58 HydrophobicContact SD-CB 4.21Å; M33-L58 HydrophobicContact SD-CD1 4.06Å; M33-L58 HydrophobicContact SD-CD2 4.36Å; M33-L58 HydrophobicContact SD-CG 4.45Å; G54-L58 PolarHBondContact O-N 2.85Å; F55-L58 WeakPolarHBondContact O-CB 3.47Å; F55-L58 PolarHBondContact O-N 3.18Å; F55-L58 VanDerWaalsContact O-N 3.1Å; L58-E60 PolarHBondContact O-N 2.76Å; L58-T61 PolarHBondContact O-N 2.81Å; L58-L62 HydrophobicContact CD1-CD1 4.09Å; L58-L62 HydrophobicContact CD1-CD2 4.25Å; L58-L62 HydrophobicContact CD1-CG 3.96Å; L58-L62 HydrophobicContact CG-CD1 4.14Å; L58-L62 HydrophobicContact CG-CG 4.43Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-V75 HydrophobicContact CD1-CB 4.41Å; L58-V75 HydrophobicContact CD1-CG1 3.6Å; L58-V75 HydrophobicContact CD1-CG2 4.36Å; L58-V75 HydrophobicContact CD2-CG2 4.2Å; L58-W232 HydrophobicContact CB-CZ2 4.1Å
59A93.1Very high95Very high2 Ų233.7 Ų33.72%0.01716%0.162CC..Hα-helixtrans-57.8-37.1179.600000112.6W3 R5 F55 R63W3-A59 WeakPolarHBondContact O-CB 3.43Å; R5-A59 HydrophobicContact CG-CB 4.08Å; F55-A59 PolarHBondContact O-N 3.36Å; A59-R63 PolarHBondContact O-N 3.05Å
60E95.3Very high95.3Very high41 Ų4131.4 Ų31.419%0.19215%0.15CC..Hα-helixtrans-69.1-39.2175-170.9177.2-155.800112.9N56 K57 L58 R63 W64N56-E60 PolarHBondContact O-N 3.37Å; K57-E60 WeakPolarHBondContact CE-OE2 3.48Å; K57-E60 IonicContact NZ-OE2 2.75Å; K57-E60 PolarHBondContact NZ-OE2 3.09Å; K57-E60 PolarHBondContact O-N 3.49Å; L58-E60 PolarHBondContact O-N 2.76Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.41Å; E60-R63 IonicContact OE1-NH2 3.55Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.44Å; E60-W64 HydrophobicContact CG-CH2 3.84Å; E60-W64 HydrophobicContact CG-CZ2 3.5Å; E60-W64 HydrophobicContact CG-CZ3 4.48Å; E60-W64 PolarHBondContact O-N 2.93Å; E60-W64 WeakPolarHBondContact OE1-CZ2 3.48Å
61T97.3Very high95.4Very high1 Ų133.8 Ų33.81%0.00617%0.165CC..Hα-helixtrans-68.6-40.3178.7-55.80000111.4F31 K57 L58 R63 W64 C65 W232F31-T61 HydrophobicContact CE1-CG2 4.04Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; K57-T61 WeakPolarHBondContact O-CB 3.38Å; K57-T61 PolarHBondContact O-N 3.28Å; K57-T61 PolarHBondContact O-OG1 2.86Å; L58-T61 PolarHBondContact O-N 2.81Å; T61-R63 VanDerWaalsContact C-N 3.27Å; T61-R63 PolarHBondContact O-N 2.66Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 WeakPolarHBondContact O-CB 3.3Å; T61-W64 PolarHBondContact O-N 2.7Å; T61-C65 PolarHBondContact O-N 3.21Å; T61-C65 PolarHBondContact O-SG 3.32Å; T61-W232 HydrophobicContact CG2-CH2 4.28Å
62L95Very high95.7Very high33 Ų3333 Ų3317%0.17316%0.162CC..Hα-helixtrans-59.8-38.9174.6-65.9175000111.9L58 C65 K66 V73 L150L58-L62 HydrophobicContact CD1-CD1 4.09Å; L58-L62 HydrophobicContact CD1-CD2 4.25Å; L58-L62 HydrophobicContact CD1-CG 3.96Å; L58-L62 HydrophobicContact CG-CD1 4.14Å; L58-L62 HydrophobicContact CG-CG 4.43Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.41Å; L62-C65 PolarHBondContact O-N 3.26Å; L62-K66 WeakPolarHBondContact O-CB 3.34Å; L62-K66 PolarHBondContact O-N 3.45Å; L62-V73 HydrophobicContact CD2-CB 3.69Å; L62-V73 HydrophobicContact CD2-CG1 3.72Å; L62-V73 HydrophobicContact CD2-CG2 3.86Å; L62-L150 HydrophobicContact CD1-CD1 4.22Å; L62-L150 HydrophobicContact CD1-CD2 3.63Å; L62-L150 HydrophobicContact CD2-CD1 3.82Å
63R93.9Very high95.9Very high45 Ų4530.4 Ų30.417%0.1715%0.15CC..Hα-helixtrans-61.1-43.6173-179-169.669.6149.3-2111.7R5 G7 A59 E60 T61 K66 H67R5-R63 WeakPolarHBondContact O-CD 3.48Å; R5-R63 VanDerWaalsContact O-CG 3.27Å; R5-R63 WeakPolarHBondContact O-CG 3.46Å; G7-R63 WeakPolarHBondContact O-CD 3.34Å; A59-R63 PolarHBondContact O-N 3.05Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.41Å; E60-R63 IonicContact OE1-NH2 3.55Å; T61-R63 VanDerWaalsContact C-N 3.27Å; T61-R63 PolarHBondContact O-N 2.66Å; R63-K66 PolarHBondContact O-N 3.29Å; R63-H67 PolarHBondContact O-CD2 3.43Å; R63-H67 PolarHBondContact O-N 3.09Å; R63-H67 VanDerWaalsContact O-N 3.1Å
64W97.1Very high96.1Very high6 Ų626.5 Ų26.52%0.02313%0.131CC..Hα-helixtrans-64.4-44.6175.9-61.5-37.9000112.2K57 E60 T61 K66 H67 L68 Y235 S236 F237 L240K57-W64 HydrophobicContact CD-CH2 4.26Å; K57-W64 HydrophobicContact CD-CZ3 4.34Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.44Å; E60-W64 HydrophobicContact CG-CH2 3.84Å; E60-W64 HydrophobicContact CG-CZ2 3.5Å; E60-W64 HydrophobicContact CG-CZ3 4.48Å; E60-W64 PolarHBondContact O-N 2.93Å; E60-W64 WeakPolarHBondContact OE1-CZ2 3.48Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 WeakPolarHBondContact O-CB 3.3Å; T61-W64 PolarHBondContact O-N 2.7Å; W64-K66 VanDerWaalsContact C-N 3.29Å; W64-K66 PolarHBondContact O-N 2.98Å; W64-H67 PolarHBondContact O-N 3.43Å; W64-L68 WeakPolarHBondContact O-CB 3.37Å; W64-L68 WeakPolarHBondContact O-CG 3.12Å; W64-L68 PolarHBondContact O-N 2.85Å; W64-Y235 HydrophobicContact CZ3-CD1 4.26Å; W64-S236 VanDerWaalsContact CZ3-C 3.48Å; W64-F237 HydrophobicContact CB-CD2 4.09Å; W64-F237 AromaticContact CD1-CD2 3.73Å; W64-F237 HydrophobicContact CD2-CB 4.13Å; W64-F237 HydrophobicContact CD2-CD2 4.26Å; W64-F237 AromaticContact CG-CD2 3.8Å; W64-F237 HydrophobicContact CG-CD2 3.8Å; W64-F237 VanDerWaalsContact CH2-N 3.35Å; W64-F237 HydrophobicContact CZ2-CB 4.14Å; W64-L240 HydrophobicContact CB-CD2 3.82Å
65C96.8Very high96.2Very high1 Ų126.3 Ų26.31%0.00713%0.13CC..Hα-helixtrans-55.7-44.9175.1-71.30000111.5T61 L62 H67 L68 N69 I70 V73T61-C65 PolarHBondContact O-N 3.21Å; T61-C65 PolarHBondContact O-SG 3.32Å; L62-C65 PolarHBondContact O-N 3.26Å; C65-H67 PolarHBondContact O-N 2.76Å; C65-L68 CarbonylContact O-C 3.5Å; C65-L68 PolarHBondContact O-N 3.02Å; C65-L68 VanDerWaalsContact O-N 3.15Å; C65-N69 PolarHBondContact O-N 3.21Å; C65-I70 HydrophobicContact CB-CB 4Å; C65-I70 HydrophobicContact CB-CD1 4.5Å; C65-I70 HydrophobicContact CB-CG2 4.37Å; C65-I70 WeakPolarHBondContact O-CB 3.46Å; C65-I70 PolarHBondContact O-N 2.81Å; C65-V73 HydrophobicContact CB-CG2 3.91Å
66K93.6Very high96.4Very high92 Ų9226.1 Ų26.140%0.413%0.129SC..Hα-helixtrans-59-47.3175.5-176.6-174.4172.8-156.80112.5L62 R63 W64 L68 N69 H114L62-K66 WeakPolarHBondContact O-CB 3.34Å; L62-K66 PolarHBondContact O-N 3.45Å; R63-K66 PolarHBondContact O-N 3.29Å; W64-K66 VanDerWaalsContact C-N 3.29Å; W64-K66 PolarHBondContact O-N 2.98Å; K66-L68 PolarHBondContact O-N 2.81Å; K66-N69 PolarHBondContact O-N 2.64Å; K66-N69 VanDerWaalsContact O-N 3.12Å; K66-H114 PolarHBondContact NZ-CD2 3.34Å; K66-H114 PolarHBondContact NZ-NE2 2.81Å
67H94.9Very high96.5Very high53 Ų5327 Ų2725%0.24514%0.139CC..Hα-helixtrans-65.7-23.2177.3-78.2-65.2000113.7G7 L9 R63 W64 C65 N69G7-H67 PolarHBondContact O-NE2 2.72Å; L9-H67 HydrophobicContact CD1-CB 3.73Å; L9-H67 HydrophobicContact CD2-CB 4.28Å; L9-H67 HydrophobicContact CG-CB 3.89Å; R63-H67 PolarHBondContact O-CD2 3.43Å; R63-H67 PolarHBondContact O-N 3.09Å; R63-H67 VanDerWaalsContact O-N 3.1Å; W64-H67 PolarHBondContact O-N 3.43Å; C65-H67 PolarHBondContact O-N 2.76Å; H67-N69 VanDerWaalsContact C-N 3.32Å
68L96.7Very high96.4Very high0 Ų025.8 Ų25.80%013%0.134CC..THydrogen-bonded Turntrans-91.910.1176.1-70.1164.9000112.9A17 M25 W64 C65 K66 I70 F237 L240 I244A17-L68 HydrophobicContact CB-CD2 3.62Å; M25-L68 HydrophobicContact CE-CB 4Å; M25-L68 HydrophobicContact CE-CD2 4.31Å; M25-L68 WeakPolarHBondContact CE-O 3.48Å; W64-L68 WeakPolarHBondContact O-CB 3.37Å; W64-L68 WeakPolarHBondContact O-CG 3.12Å; W64-L68 PolarHBondContact O-N 2.85Å; C65-L68 CarbonylContact O-C 3.5Å; C65-L68 PolarHBondContact O-N 3.02Å; C65-L68 VanDerWaalsContact O-N 3.15Å; K66-L68 PolarHBondContact O-N 2.81Å; L68-I70 VanDerWaalsContact C-N 3.25Å; L68-I70 HydrophobicContact CB-CD1 4.05Å; L68-I70 HydrophobicContact CB-CG1 4.09Å; L68-I70 PolarHBondContact O-N 2.82Å; L68-F237 HydrophobicContact CD1-CE2 4.03Å; L68-F237 HydrophobicContact CD2-CE2 4.48Å; L68-F237 HydrophobicContact CG-CE2 4.36Å; L68-L240 HydrophobicContact CD1-CD2 3.72Å; L68-L240 HydrophobicContact CD1-CG 4.18Å; L68-I244 HydrophobicContact CD1-CD1 3.7Å
69N95.6Very high96.4Very high121 Ų12125.8 Ų25.865%0.64714%0.135SC*.THydrogen-bonded Turntrans55.437.4-176.8-63.2-36.1000113.6M21 C65 K66 H67 P71M21-N69 PolarHBondContact SD-ND2 2.75Å; C65-N69 PolarHBondContact O-N 3.21Å; K66-N69 PolarHBondContact O-N 2.64Å; K66-N69 VanDerWaalsContact O-N 3.12Å; H67-N69 VanDerWaalsContact C-N 3.32Å; N69-P71 WeakPolarHBondContact O-CD 3.23Å
70I97.8Very high96.6Very high5 Ų527 Ų273%0.02614%0.14CC..  trans-95.2100.4172.5-56.8174000107.2M25 P26 V29 C65 L68 E72 I244M25-I70 HydrophobicContact CE-CG1 4.46Å; P26-I70 HydrophobicContact CG-CD1 4.12Å; P26-I70 HydrophobicContact CG-CG1 4.43Å; V29-I70 HydrophobicContact CB-CG2 4.42Å; V29-I70 HydrophobicContact CG2-CD1 4.06Å; V29-I70 HydrophobicContact CG2-CG2 3.78Å; C65-I70 HydrophobicContact CB-CB 4Å; C65-I70 HydrophobicContact CB-CD1 4.5Å; C65-I70 HydrophobicContact CB-CG2 4.37Å; C65-I70 WeakPolarHBondContact O-CB 3.46Å; C65-I70 PolarHBondContact O-N 2.81Å; L68-I70 VanDerWaalsContact C-N 3.25Å; L68-I70 HydrophobicContact CB-CD1 4.05Å; L68-I70 HydrophobicContact CB-CG1 4.09Å; L68-I70 PolarHBondContact O-N 2.82Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.1Å; I70-I244 HydrophobicContact CD1-CD1 4.06Å
71P96.7Very high96.5Very high50 Ų5029.5 Ų29.533%0.32515%0.152SC..  trans-73.2-23.5-171.529.1-37.5000113.6K27 N69 C148 F149K27-P71 WeakPolarHBondContact O-CD 3.35Å; K27-P71 WeakPolarHBondContact O-CG 3.27Å; N69-P71 WeakPolarHBondContact O-CD 3.23Å; P71-C148 CarbonylContact O-C 3.54Å; P71-C148 VanDerWaalsContact O-CA 3.27Å; P71-C148 WeakPolarHBondContact O-CA 3.38Å; P71-F149 PolarHBondContact O-N 3.47Å
72E98.6Very high96.3Very high11 Ų1130.9 Ų30.95%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-130.3133.6-172.5-173.7157.8-162.700113.4K27 H28 V29 I70 R119 F149 N151 S197 P198K27-E72 PolarHBondContact O-N 3.04Å; H28-E72 WeakPolarHBondContact CA-O 3.37Å; H28-E72 HydrophobicContact CB-CB 4.2Å; H28-E72 HydrophobicContact CB-CG 4.45Å; H28-E72 PolarHBondContact CD2-O 3.11Å; V29-E72 PolarHBondContact N-O 2.91Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.1Å; E72-R119 IonicContact OE1-NH1 2.79Å; E72-F149 WeakPolarHBondContact CA-O 3.43Å; E72-F149 HydrophobicContact CB-CB 4.06Å; E72-F149 HydrophobicContact CG-CB 3.71Å; E72-N151 PolarHBondContact OE1-ND2 3Å; E72-S197 WeakPolarHBondContact OE1-CB 3.34Å; E72-S197 PolarHBondContact OE1-OG 3.29Å; E72-P198 VanDerWaalsContact OE2-CD 3.29Å; E72-P198 WeakPolarHBondContact OE2-CD 3.46Å
73V98.7Very high96.2Very high5 Ų532.2 Ų32.23%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-131.9130178.5-1790000110.5V29 F31 L62 C65 V75 F149 L150 N151V29-V73 CarbonylContact O-C 3.59Å; V29-V73 VanDerWaalsContact O-CA 3.25Å; V29-V73 WeakPolarHBondContact O-CA 3.19Å; F31-V73 HydrophobicContact CD2-CG1 3.69Å; F31-V73 HydrophobicContact CE2-CG1 3.77Å; L62-V73 HydrophobicContact CD2-CB 3.69Å; L62-V73 HydrophobicContact CD2-CG1 3.72Å; L62-V73 HydrophobicContact CD2-CG2 3.86Å; C65-V73 HydrophobicContact CB-CG2 3.91Å; V73-V75 HydrophobicContact CG1-CG1 3.81Å; V73-F149 PolarHBondContact N-O 3.25Å; V73-L150 HydrophobicContact CB-CD1 4.37Å; V73-L150 HydrophobicContact CG1-CD1 4.43Å; V73-L150 WeakPolarHBondContact O-CA 3.39Å; V73-N151 PolarHBondContact O-N 2.98Å
74T98.9Very high96.2Very high2 Ų237.4 Ų37.41%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-112134.9170.8-60.60000110.3H28 V29 A30 F31 N151 F215 L216H28-T74 PolarHBondContact CE1-OG1 3.16Å; H28-T74 VanDerWaalsContact CE1-OG1 3.25Å; H28-T74 WeakPolarHBondContact NE2-CB 3.1Å; H28-T74 PolarHBondContact NE2-OG1 3.3Å; V29-T74 PolarHBondContact O-N 3.38Å; A30-T74 CarbonylContact C-O 3.59Å; A30-T74 WeakPolarHBondContact CA-O 3.36Å; F31-T74 PolarHBondContact N-O 3.48Å; T74-N151 CarbonylContact C-O 3.54Å; T74-N151 VanDerWaalsContact CA-O 3.3Å; T74-N151 WeakPolarHBondContact CA-O 3.32Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.31Å; T74-N151 PolarHBondContact OG1-ND2 2.85Å; T74-F215 HydrophobicContact CG2-CZ 4.05Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å
75V98.7Very high96Very high0 Ų040.2 Ų40.20%020%0.198CC..EExtended strand (participates in β ladder)trans-129.7138.2-177.8-58.60000112.5F31 M33 L58 V73 A77 L150 N151 V152 C153F31-V75 HydrophobicContact CB-CG1 4.22Å; F31-V75 HydrophobicContact CD2-CG1 4.34Å; M33-V75 HydrophobicContact CE-CB 3.78Å; M33-V75 HydrophobicContact CE-CG2 4Å; M33-V75 HydrophobicContact SD-CB 3.95Å; M33-V75 HydrophobicContact SD-CG1 4.2Å; L58-V75 HydrophobicContact CD1-CB 4.41Å; L58-V75 HydrophobicContact CD1-CG1 3.6Å; L58-V75 HydrophobicContact CD1-CG2 4.36Å; L58-V75 HydrophobicContact CD2-CG2 4.2Å; V73-V75 HydrophobicContact CG1-CG1 3.81Å; V75-A77 PolarHBondContact O-N 3.28Å; V75-L150 HydrophobicContact CG1-CD1 4.46Å; V75-L150 HydrophobicContact CG2-CD1 4.36Å; V75-N151 PolarHBondContact N-O 3.32Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.32Å; V75-C153 WeakPolarHBondContact O-CB 3.38Å; V75-C153 PolarHBondContact O-N 3.23Å
76Y98.3Very high95.8Very high20 Ų2042.9 Ų42.98%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-86.894.2175-156.4-178.3000110.5F31 S79 C153 Y156 F215F31-Y76 PolarHBondContact O-N 3.35Å; Y76-S79 WeakPolarHBondContact OH-CB 3.43Å; Y76-S79 PolarHBondContact OH-OG 3.15Å; Y76-C153 HydrophobicContact CD2-CB 4.07Å; Y76-Y156 HydrophobicContact CD2-CD1 4.37Å; Y76-Y156 AromaticContact CE2-CD1 3.77Å; Y76-Y156 HydrophobicContact CE2-CD1 3.77Å; Y76-Y156 HydrophobicContact CE2-CG 4.48Å; Y76-Y156 VanDerWaalsContact CE2-O 3.3Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.29Å; Y76-Y156 PolarHBondContact OH-O 3.32Å; Y76-F215 VanDerWaalsContact CB-CE2 3.47Å; Y76-F215 HydrophobicContact CD1-CB 3.61Å; Y76-F215 HydrophobicContact CD1-CD1 4.33Å; Y76-F215 AromaticContact CD1-CD2 3.39Å; Y76-F215 HydrophobicContact CD1-CD2 3.39Å; Y76-F215 HydrophobicContact CD1-CE2 4.11Å; Y76-F215 AromaticContact CD1-CG 3.52Å; Y76-F215 HydrophobicContact CD1-CG 3.52Å; Y76-F215 AromaticContact CD2-CD2 3.8Å; Y76-F215 HydrophobicContact CD2-CD2 3.8Å; Y76-F215 AromaticContact CD2-CE2 3.97Å; Y76-F215 HydrophobicContact CD2-CE2 3.97Å; Y76-F215 HydrophobicContact CE1-CB 3.65Å; Y76-F215 AromaticContact CE1-CD2 3.83Å; Y76-F215 HydrophobicContact CE1-CD2 3.83Å; Y76-F215 HydrophobicContact CE1-CG 4Å; Y76-F215 HydrophobicContact CE2-CD2 4.18Å; Y76-F215 HydrophobicContact CG-CB 4.46Å; Y76-F215 AromaticContact CG-CD2 3.35Å; Y76-F215 HydrophobicContact CG-CD2 3.35Å; Y76-F215 AromaticContact CG-CE2 3.61Å; Y76-F215 HydrophobicContact CG-CE2 3.61Å; Y76-F215 AromaticContact CG-CG 3.91Å; Y76-F215 HydrophobicContact CG-CG 3.91Å; Y76-F215 HydrophobicContact CG-CZ 4.32Å
77A95.7Very high95.8Very high42 Ų4245.5 Ų45.535%0.34723%0.228SC..EExtended strand (participates in β ladder)trans-88.7-44.8-174.900000112.7M33 V75 V152 C153 F154M33-A77 HydrophobicContact CE-CB 4.33Å; V75-A77 PolarHBondContact O-N 3.28Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; A77-C153 PolarHBondContact N-O 3.14Å; A77-F154 HydrophobicContact CB-CD2 3.84Å; A77-F154 HydrophobicContact CB-CE2 4.37Å
78F96Very high95.6Very high2 Ų249.9 Ų49.91%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-148.7121.2-178.7-166.1-93.3000111.6N82 F83 V90 L93 C153 F154 A155 Y156F78-N82 HydrophobicContact CD1-CB 4.47Å; F78-N82 HydrophobicContact CD2-CB 4.13Å; F78-N82 HydrophobicContact CE1-CB 4.1Å; F78-N82 HydrophobicContact CE2-CB 3.73Å; F78-N82 HydrophobicContact CG-CB 4.49Å; F78-N82 HydrophobicContact CZ-CB 3.71Å; F78-F83 HydrophobicContact CD1-CE2 4.48Å; F78-F83 HydrophobicContact CE1-CD1 4.1Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.91Å; F78-F83 HydrophobicContact CE1-CE1 3.91Å; F78-F83 AromaticContact CE1-CE2 3.78Å; F78-F83 HydrophobicContact CE1-CE2 3.78Å; F78-F83 HydrophobicContact CE1-CG 4.14Å; F78-F83 AromaticContact CE1-CZ 3.75Å; F78-F83 HydrophobicContact CE1-CZ 3.75Å; F78-F83 HydrophobicContact CZ-CD1 4.27Å; F78-F83 HydrophobicContact CZ-CE1 4.3Å; F78-V90 HydrophobicContact CZ-CG1 4.31Å; F78-L93 HydrophobicContact CD2-CB 4.26Å; F78-L93 HydrophobicContact CD2-CD1 4.08Å; F78-L93 HydrophobicContact CE2-CB 4Å; F78-L93 HydrophobicContact CE2-CD1 3.71Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; F78-C153 PolarHBondContact N-O 3.39Å; F78-C153 VanDerWaalsContact N-O 3.15Å; F78-F154 HydrophobicContact CB-CD1 3.89Å; F78-F154 HydrophobicContact CB-CD2 3.77Å; F78-F154 HydrophobicContact CB-CE1 3.8Å; F78-F154 HydrophobicContact CB-CE2 3.69Å; F78-F154 HydrophobicContact CB-CG 3.87Å; F78-F154 HydrophobicContact CB-CZ 3.7Å; F78-F154 HydrophobicContact CD1-CD1 4.43Å; F78-F154 HydrophobicContact CD1-CE1 4.14Å; F78-F154 HydrophobicContact CD2-CZ 4.38Å; F78-F154 HydrophobicContact CG-CD1 4.4Å; F78-F154 AromaticContact CG-CE1 3.98Å; F78-F154 HydrophobicContact CG-CE1 3.98Å; F78-F154 HydrophobicContact CG-CE2 4.48Å; F78-F154 HydrophobicContact CG-CZ 4.02Å; F78-F154 CarbonylContact O-C 3.52Å; F78-A155 PolarHBondContact O-N 2.89Å; F78-Y156 PolarHBondContact O-N 3.31Å; F78-Y156 VanDerWaalsContact O-N 3.14Å
79S96.6Very high95.3Very high10 Ų1050.8 Ų50.87%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-86.5150.1177.8-178.50000111.7Y76 E81 N82 Y156Y76-S79 WeakPolarHBondContact OH-CB 3.43Å; Y76-S79 PolarHBondContact OH-OG 3.15Å; S79-E81 PolarHBondContact O-N 3.01Å; S79-E81 PolarHBondContact OG-N 2.96Å; S79-N82 PolarHBondContact N-OD1 2.87Å; S79-N82 WeakPolarHBondContact O-CA 3.15Å; S79-N82 VanDerWaalsContact O-CB 3.25Å; S79-N82 WeakPolarHBondContact O-CB 3.27Å; S79-N82 PolarHBondContact O-N 3Å; S79-Y156 WeakPolarHBondContact CA-O 3.48Å
80I95.9Very high95.2Very high27 Ų2745.6 Ų45.614%0.13823%0.226CC..G310 helixtrans-55.1-36.3167.8-59.9179.4000110.4N82 F83 M126 A155 Y156 T157 Y160I80-N82 PolarHBondContact O-N 3.23Å; I80-N82 VanDerWaalsContact O-N 3.1Å; I80-F83 HydrophobicContact CG2-CD2 4.44Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 WeakPolarHBondContact O-CD2 3.15Å; I80-F83 PolarHBondContact O-N 3.49Å; I80-F83 VanDerWaalsContact O-N 3.14Å; I80-M126 HydrophobicContact CD1-SD 4.18Å; I80-M126 HydrophobicContact CG1-SD 4.16Å; I80-M126 HydrophobicContact CG2-CE 4Å; I80-M126 HydrophobicContact CG2-SD 4.01Å; I80-A155 VanDerWaalsContact CG1-C 3.47Å; I80-A155 VanDerWaalsContact CG1-O 3.27Å; I80-A155 WeakPolarHBondContact CG1-O 3.3Å; I80-Y156 PolarHBondContact N-O 2.9Å; I80-T157 HydrophobicContact CB-CG2 3.86Å; I80-T157 HydrophobicContact CD1-CG2 4.38Å; I80-T157 HydrophobicContact CG1-CG2 4.16Å; I80-Y160 HydrophobicContact CD1-CD1 4.22Å; I80-Y160 HydrophobicContact CD1-CD2 4.08Å; I80-Y160 HydrophobicContact CD1-CG 3.75Å
81E93.4Very high95Very high94 Ų9448.6 Ų48.644%0.43924%0.242SC..G310 helixtrans-63.4-17.7176.2-66.5-65.2130.100113.2S79 F83 K84 T157S79-E81 PolarHBondContact O-N 3.01Å; S79-E81 PolarHBondContact OG-N 2.96Å; E81-F83 VanDerWaalsContact C-N 3.31Å; E81-K84 WeakPolarHBondContact O-CB 3.34Å; E81-K84 PolarHBondContact O-N 3.4Å; E81-K84 IonicContact OE1-NZ 3.6Å; E81-K84 PolarHBondContact OE1-NZ 2.91Å; E81-K84 WeakPolarHBondContact OE2-CE 3.31Å; E81-K84 IonicContact OE2-NZ 3.58Å; E81-K84 PolarHBondContact OE2-NZ 2.76Å; E81-T157 HydrophobicContact CG-CG2 4.46Å
82N92.9Very high94.8Very high30 Ų3047.3 Ų47.316%0.1624%0.238CC..G310 helixtrans-77-16.3178.3-58.6161.9000113.1F78 S79 I80 K84 R85 V90F78-N82 HydrophobicContact CD1-CB 4.47Å; F78-N82 HydrophobicContact CD2-CB 4.13Å; F78-N82 HydrophobicContact CE1-CB 4.1Å; F78-N82 HydrophobicContact CE2-CB 3.73Å; F78-N82 HydrophobicContact CG-CB 4.49Å; F78-N82 HydrophobicContact CZ-CB 3.71Å; S79-N82 PolarHBondContact N-OD1 2.87Å; S79-N82 WeakPolarHBondContact O-CA 3.15Å; S79-N82 VanDerWaalsContact O-CB 3.25Å; S79-N82 WeakPolarHBondContact O-CB 3.27Å; S79-N82 PolarHBondContact O-N 3Å; I80-N82 PolarHBondContact O-N 3.23Å; I80-N82 VanDerWaalsContact O-N 3.1Å; N82-K84 PolarHBondContact O-N 3.38Å; N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NH2 3.48Å; N82-R85 WeakPolarHBondContact O-CB 3.36Å; N82-R85 VanDerWaalsContact O-CG 3.3Å; N82-R85 WeakPolarHBondContact O-CG 3.33Å; N82-R85 PolarHBondContact O-N 3.15Å; N82-R85 VanDerWaalsContact O-N 3.15Å; N82-R85 PolarHBondContact OD1-NH2 3.19Å; N82-V90 WeakPolarHBondContact O-CG2 3.16Å
83F94.2Very high94.5Very high61 Ų6147.8 Ų47.827%0.26824%0.241SC..G310 helixtrans-63.4-19169.3-72.4-68000113.1F78 I80 E81 R85 V90 M126 L127 A155F78-F83 HydrophobicContact CD1-CE2 4.48Å; F78-F83 HydrophobicContact CE1-CD1 4.1Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.91Å; F78-F83 HydrophobicContact CE1-CE1 3.91Å; F78-F83 AromaticContact CE1-CE2 3.78Å; F78-F83 HydrophobicContact CE1-CE2 3.78Å; F78-F83 HydrophobicContact CE1-CG 4.14Å; F78-F83 AromaticContact CE1-CZ 3.75Å; F78-F83 HydrophobicContact CE1-CZ 3.75Å; F78-F83 HydrophobicContact CZ-CD1 4.27Å; F78-F83 HydrophobicContact CZ-CE1 4.3Å; I80-F83 HydrophobicContact CG2-CD2 4.44Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 WeakPolarHBondContact O-CD2 3.15Å; I80-F83 PolarHBondContact O-N 3.49Å; I80-F83 VanDerWaalsContact O-N 3.14Å; E81-F83 VanDerWaalsContact C-N 3.31Å; F83-R85 PolarHBondContact O-N 3.49Å; F83-V90 HydrophobicContact CD1-CG1 4.08Å; F83-V90 HydrophobicContact CE1-CG1 4.43Å; F83-M126 HydrophobicContact CD2-CE 3.87Å; F83-M126 HydrophobicContact CE2-CB 4.01Å; F83-M126 HydrophobicContact CE2-CE 3.84Å; F83-M126 HydrophobicContact CE2-SD 4.17Å; F83-M126 HydrophobicContact CZ-CB 4.03Å; F83-L127 HydrophobicContact CZ-CD2 4.17Å; F83-A155 HydrophobicContact CE2-CB 4.07Å; F83-A155 HydrophobicContact CZ-CB 4.38Å
84K93.1Very high94.3Very high154 Ų15448.2 Ų48.267%0.6724%0.243SC*.G310 helixtrans-77.1-2.5176.3-59.5176-175.9168.80113.5E81 N82E81-K84 WeakPolarHBondContact O-CB 3.34Å; E81-K84 PolarHBondContact O-N 3.4Å; E81-K84 IonicContact OE1-NZ 3.6Å; E81-K84 PolarHBondContact OE1-NZ 2.91Å; E81-K84 WeakPolarHBondContact OE2-CE 3.31Å; E81-K84 IonicContact OE2-NZ 3.58Å; E81-K84 PolarHBondContact OE2-NZ 2.76Å; N82-K84 PolarHBondContact O-N 3.38Å
85R93Very high94.1Very high65 Ų6552.7 Ų52.725%0.24527%0.267CS..SBendtrans-77.7175.4176.7-60.3-171.6-168.3171.211.6110.6N82 F83 E89 V90N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NH2 3.48Å; N82-R85 WeakPolarHBondContact O-CB 3.36Å; N82-R85 VanDerWaalsContact O-CG 3.3Å; N82-R85 WeakPolarHBondContact O-CG 3.33Å; N82-R85 PolarHBondContact O-N 3.15Å; N82-R85 VanDerWaalsContact O-N 3.15Å; N82-R85 PolarHBondContact OD1-NH2 3.19Å; F83-R85 PolarHBondContact O-N 3.49Å; R85-E89 WeakPolarHBondContact CD-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 3.14Å; R85-E89 IonicContact NE-OE1 3.52Å; R85-E89 IonicContact NH1-OE1 3.6Å; R85-E89 PolarHBondContact NH1-OE1 2.83Å; R85-V90 HydrophobicContact CB-CG2 4.12Å
86S93Very high93.9Very high56 Ų5653.4 Ų53.439%0.39227%0.271SS..  trans-62.7147.5177.473.40000110.5E88 E89 V90S86-E88 WeakPolarHBondContact CB-OE2 3.4Å; S86-E88 PolarHBondContact O-N 2.95Å; S86-E88 PolarHBondContact OG-OE2 2.82Å; S86-E89 PolarHBondContact O-N 2.96Å; S86-V90 PolarHBondContact O-N 3.46Å
87K93.2Very high93.7Very high147 Ų14753 Ų5364%0.63927%0.271SS*.Hα-helixtrans-55.6-41.5-177.1-177.5176.1177.9-176.90111.4E89 V90 D91K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.79Å; K87-V90 PolarHBondContact O-N 3Å; K87-D91 VanDerWaalsContact CE-OD2 3.31Å; K87-D91 WeakPolarHBondContact CE-OD2 3.46Å; K87-D91 WeakPolarHBondContact CG-OD2 3.49Å; K87-D91 WeakPolarHBondContact O-CB 3.33Å; K87-D91 PolarHBondContact O-N 3.44Å
88E91.5Very high93.7Very high145 Ų14552.6 Ų52.668%0.67826%0.26SS*.Hα-helixtrans-62.1-36.4179.1-55.173.6-158.800112.3S86 G92S86-E88 WeakPolarHBondContact CB-OE2 3.4Å; S86-E88 PolarHBondContact O-N 2.95Å; S86-E88 PolarHBondContact OG-OE2 2.82Å; E88-G92 PolarHBondContact O-N 3.19Å; E88-G92 VanDerWaalsContact O-N 3.15Å
89E89Confident93.6Very high19 Ų1957 Ų579%0.08928%0.281CS..Hα-helixtrans-75.4-38177.4-173.6173.514800111.3R37 R47 R85 S86 K87 L93R37-E89 WeakPolarHBondContact CD-OE1 3.35Å; R37-E89 IonicContact NH1-OE1 3.43Å; R37-E89 PolarHBondContact NH1-OE1 3.48Å; R47-E89 IonicContact CZ-OE2 2.82Å; R47-E89 IonicContact NH1-OE2 3.88Å; R47-E89 PolarHBondContact NH1-OE2 3.34Å; R85-E89 WeakPolarHBondContact CD-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 3.14Å; R85-E89 IonicContact NE-OE1 3.52Å; R85-E89 IonicContact NH1-OE1 3.6Å; R85-E89 PolarHBondContact NH1-OE1 2.83Å; S86-E89 PolarHBondContact O-N 2.96Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.79Å; E89-L93 HydrophobicContact CG-CD1 4.35Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.3Å; E89-L93 PolarHBondContact O-N 3.14Å; E89-L93 VanDerWaalsContact O-N 3.13Å
90V93.7Very high93.4Very high12 Ų1257 Ų577%0.07328%0.28CS..Hα-helixtrans-66.1-51.5176.41750000110.3F78 N82 F83 R85 S86 K87 G92 L93 L94F78-V90 HydrophobicContact CZ-CG1 4.31Å; N82-V90 WeakPolarHBondContact O-CG2 3.16Å; F83-V90 HydrophobicContact CD1-CG1 4.08Å; F83-V90 HydrophobicContact CE1-CG1 4.43Å; R85-V90 HydrophobicContact CB-CG2 4.12Å; S86-V90 PolarHBondContact O-N 3.46Å; K87-V90 PolarHBondContact O-N 3Å; V90-G92 VanDerWaalsContact C-N 3.31Å; V90-G92 PolarHBondContact O-N 2.87Å; V90-L93 WeakPolarHBondContact O-CB 3.49Å; V90-L93 PolarHBondContact O-N 3.45Å; V90-L94 HydrophobicContact CG1-CD1 3.94Å; V90-L94 HydrophobicContact CG1-CG 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.82Å
91D93.3Very high93.4Very high68 Ų6855.9 Ų55.936%0.36427%0.274SS..Hα-helixtrans-57-46.5179.3-68.2-9.4000110.1K87 L93 L94 D95K87-D91 VanDerWaalsContact CE-OD2 3.31Å; K87-D91 WeakPolarHBondContact CE-OD2 3.46Å; K87-D91 WeakPolarHBondContact CG-OD2 3.49Å; K87-D91 WeakPolarHBondContact O-CB 3.33Å; K87-D91 PolarHBondContact O-N 3.44Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact O-N 3.49Å; D91-D95 WeakPolarHBondContact O-CB 3.42Å; D91-D95 PolarHBondContact O-N 3.42Å
92G92.4Very high93.4Very high24 Ų2455.5 Ų55.525%0.24727%0.272CS..Hα-helixtrans-62.5-30.8176.300000114.7E88 V90 L96E88-G92 PolarHBondContact O-N 3.19Å; E88-G92 VanDerWaalsContact O-N 3.15Å; V90-G92 VanDerWaalsContact C-N 3.31Å; V90-G92 PolarHBondContact O-N 2.87Å; G92-L96 WeakPolarHBondContact O-CB 3.46Å; G92-L96 PolarHBondContact O-N 2.96Å; G92-L96 VanDerWaalsContact O-N 3.09Å
93L93.1Very high93.3Very high21 Ų2158.6 Ų58.611%0.1128%0.282CS..Hα-helixtrans-75-38.7174.5-75.4168.8000112.2H51 F78 E89 V90 D91 L96 A97H51-L93 HydrophobicContact CB-CD2 4.17Å; F78-L93 HydrophobicContact CD2-CB 4.26Å; F78-L93 HydrophobicContact CD2-CD1 4.08Å; F78-L93 HydrophobicContact CE2-CB 4Å; F78-L93 HydrophobicContact CE2-CD1 3.71Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; E89-L93 HydrophobicContact CG-CD1 4.35Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.3Å; E89-L93 PolarHBondContact O-N 3.14Å; E89-L93 VanDerWaalsContact O-N 3.13Å; V90-L93 WeakPolarHBondContact O-CB 3.49Å; V90-L93 PolarHBondContact O-N 3.45Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.4Å; L93-L96 PolarHBondContact O-N 3.24Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.06Å
94L95.1Very high93.1Very high13 Ų1355.7 Ų55.77%0.06827%0.269CS..Hα-helixtrans-68.2-40.9176.5-63.6178.3000111V90 D91 A97 R98 L127 P128 L131 F154V90-L94 HydrophobicContact CG1-CD1 3.94Å; V90-L94 HydrophobicContact CG1-CG 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.82Å; D91-L94 PolarHBondContact O-N 3.49Å; L94-A97 WeakPolarHBondContact O-CB 3.32Å; L94-A97 PolarHBondContact O-N 2.89Å; L94-R98 WeakPolarHBondContact O-CB 3.19Å; L94-R98 PolarHBondContact O-N 3.05Å; L94-L127 HydrophobicContact CD2-CD2 3.97Å; L94-P128 HydrophobicContact CD1-CG 3.96Å; L94-L131 HydrophobicContact CB-CD2 4.41Å; L94-L131 HydrophobicContact CD2-CD2 3.88Å; L94-F154 HydrophobicContact CD2-CE1 3.89Å; L94-F154 HydrophobicContact CD2-CZ 4.22Å
95D94.5Very high93Very high96 Ų9650.6 Ų50.651%0.51325%0.249SC..Hα-helixtrans-64.3-41.3174.2-73.2-19.9000111.9D91 A97 R98 Q99D91-D95 WeakPolarHBondContact O-CB 3.42Å; D91-D95 PolarHBondContact O-N 3.42Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 2.72Å; D95-R98 PolarHBondContact O-N 2.64Å; D95-Q99 WeakPolarHBondContact O-CB 3.39Å; D95-Q99 PolarHBondContact O-N 3.12Å
96L93.1Very high92.9Very high16 Ų1654.9 Ų54.98%0.08427%0.272CS..Hα-helixtrans-60.2-46.2173-178.564.6000110.6H51 G92 L93 Q99 K100H51-L96 HydrophobicContact CB-CD2 3.87Å; G92-L96 WeakPolarHBondContact O-CB 3.46Å; G92-L96 PolarHBondContact O-N 2.96Å; G92-L96 VanDerWaalsContact O-N 3.09Å; L93-L96 PolarHBondContact O-N 3.24Å; L96-Q99 PolarHBondContact O-N 3.42Å; L96-K100 HydrophobicContact CD1-CG 4.46Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.37Å; L96-K100 PolarHBondContact O-N 3.38Å
97A94.8Very high92.7Very high10 Ų1053.8 Ų53.88%0.08326%0.26CS..Hα-helixtrans-59.9-46.817800000111.5L93 L94 D95 Q99 K100 F101 L131 F154L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.06Å; L94-A97 WeakPolarHBondContact O-CB 3.32Å; L94-A97 PolarHBondContact O-N 2.89Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 2.72Å; A97-Q99 PolarHBondContact O-N 3.21Å; A97-K100 PolarHBondContact O-N 2.98Å; A97-K100 VanDerWaalsContact O-N 3.15Å; A97-F101 VanDerWaalsContact O-CD2 3.23Å; A97-F101 WeakPolarHBondContact O-CD2 3.39Å; A97-F101 PolarHBondContact O-N 3.3Å; A97-L131 HydrophobicContact CB-CD1 4.28Å; A97-L131 HydrophobicContact CB-CD2 4.38Å; A97-F154 HydrophobicContact CB-CE2 3.65Å; A97-F154 HydrophobicContact CB-CZ 3.53Å
98R95.1Very high92.4Very high35 Ų3551.7 Ų51.713%0.13225%0.252CS..Hα-helixtrans-53.2-55.9174.9-176.9-174.6-46.9-65.80.2111.3L94 D95 K100 F101 E102 D130 L131L94-R98 WeakPolarHBondContact O-CB 3.19Å; L94-R98 PolarHBondContact O-N 3.05Å; D95-R98 PolarHBondContact O-N 2.64Å; R98-K100 PolarHBondContact O-N 3.24Å; R98-F101 PolarHBondContact O-N 3.12Å; R98-F101 VanDerWaalsContact O-N 3.17Å; R98-E102 HydrophobicContact CG-CG 4.37Å; R98-E102 WeakPolarHBondContact CG-OE1 3.45Å; R98-E102 WeakPolarHBondContact O-CB 3.47Å; R98-E102 WeakPolarHBondContact O-CG 3.35Å; R98-E102 PolarHBondContact O-N 3.33Å; R98-D130 IonicContact CZ-OD1 3.46Å; R98-D130 IonicContact CZ-OD2 3.42Å; R98-D130 IonicContact NE-OD2 2.75Å; R98-D130 PolarHBondContact NH1-O 2.81Å; R98-D130 IonicContact NH1-OD1 2.73Å; R98-D130 PolarHBondContact NH1-OD1 3.43Å; R98-D130 VanDerWaalsContact NH1-OD1 3.14Å; R98-D130 IonicContact NH1-OD2 2.82Å; R98-D130 PolarHBondContact NH1-OD2 3.05Å; R98-D130 IonicContact NH2-OD1 3.73Å; R98-D130 PolarHBondContact NH2-OD1 3.09Å; R98-D130 IonicContact NH2-OD2 2.75Å; R98-D130 PolarHBondContact NH2-OD2 3.29Å; R98-L131 HydrophobicContact CB-CD1 4.15Å
99Q94.2Very high92.2Very high95 Ų9552.9 Ų52.944%0.44426%0.258SS..Hα-helixtrans-56.6-38.4179.3-174-167.670.800112D95 L96 A97 R103D95-Q99 WeakPolarHBondContact O-CB 3.39Å; D95-Q99 PolarHBondContact O-N 3.12Å; L96-Q99 PolarHBondContact O-N 3.42Å; A97-Q99 PolarHBondContact O-N 3.21Å; Q99-R103 VanDerWaalsContact O-CB 3.3Å; Q99-R103 WeakPolarHBondContact O-CB 3.43Å; Q99-R103 PolarHBondContact O-N 2.78Å; Q99-R103 VanDerWaalsContact O-N 3.09Å
100K93.3Very high92.1Very high8 Ų853.6 Ų53.64%0.03526%0.262CS..Hα-helixtrans-71.6-43.4179.2-64.1-41.6177.3-161.70112.2W3 F55 L96 A97 R98 R103 L104W3-K100 HydrophobicContact CZ2-CB 3.93Å; W3-K100 PolarHBondContact NE1-O 3.19Å; F55-K100 HydrophobicContact CD1-CD 3.73Å; F55-K100 HydrophobicContact CD1-CG 4.13Å; F55-K100 HydrophobicContact CD2-CB 4.39Å; F55-K100 HydrophobicContact CD2-CD 4.23Å; F55-K100 HydrophobicContact CD2-CG 3.7Å; F55-K100 HydrophobicContact CE1-CD 3.53Å; F55-K100 HydrophobicContact CE1-CG 4.02Å; F55-K100 HydrophobicContact CE2-CB 3.82Å; F55-K100 HydrophobicContact CE2-CD 4.06Å; F55-K100 HydrophobicContact CE2-CG 3.56Å; F55-K100 HydrophobicContact CG-CD 4.07Å; F55-K100 HydrophobicContact CG-CG 3.98Å; F55-K100 HydrophobicContact CZ-CB 3.98Å; F55-K100 HydrophobicContact CZ-CD 3.7Å; F55-K100 HydrophobicContact CZ-CG 3.72Å; L96-K100 HydrophobicContact CD1-CG 4.46Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.37Å; L96-K100 PolarHBondContact O-N 3.38Å; A97-K100 PolarHBondContact O-N 2.98Å; A97-K100 VanDerWaalsContact O-N 3.15Å; R98-K100 PolarHBondContact O-N 3.24Å; K100-R103 PolarHBondContact O-N 2.84Å; K100-L104 PolarHBondContact O-N 2.91Å
101F94.4Very high91.8Very high4 Ų453 Ų532%0.01826%0.259CS..Hα-helixtrans-70.7-34.4177.5-73.5-72.2000112.3W3 A97 R98 L104 L105 V120 L131 V134 I135 A138W3-F101 HydrophobicContact CH2-CD1 4.47Å; W3-F101 HydrophobicContact CH2-CE1 4.06Å; W3-F101 HydrophobicContact CH2-CZ 4.33Å; W3-F101 HydrophobicContact CZ2-CD1 4.18Å; W3-F101 HydrophobicContact CZ2-CE1 4.21Å; A97-F101 VanDerWaalsContact O-CD2 3.23Å; A97-F101 WeakPolarHBondContact O-CD2 3.39Å; A97-F101 PolarHBondContact O-N 3.3Å; R98-F101 PolarHBondContact O-N 3.12Å; R98-F101 VanDerWaalsContact O-N 3.17Å; F101-L104 HydrophobicContact CD1-CD2 4.36Å; F101-L104 VanDerWaalsContact O-CB 3.25Å; F101-L104 WeakPolarHBondContact O-CB 3.18Å; F101-L104 PolarHBondContact O-N 2.79Å; F101-L105 WeakPolarHBondContact O-CG 3.39Å; F101-L105 PolarHBondContact O-N 3.17Å; F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.74Å; F101-L131 HydrophobicContact CD2-CD1 4.36Å; F101-V134 HydrophobicContact CB-CG1 3.48Å; F101-V134 VanDerWaalsContact CB-CG1 3.48Å; F101-I135 HydrophobicContact CD1-CG1 4.44Å; F101-I135 HydrophobicContact CD2-CD1 4.42Å; F101-I135 HydrophobicContact CD2-CG1 3.75Å; F101-I135 HydrophobicContact CE1-CG1 4.35Å; F101-I135 HydrophobicContact CE2-CD1 4.04Å; F101-I135 HydrophobicContact CE2-CG1 3.65Å; F101-I135 HydrophobicContact CG-CG1 4.17Å; F101-I135 HydrophobicContact CZ-CG1 3.97Å; F101-A138 HydrophobicContact CD1-CB 4.06Å
102E94.1Very high91.6Very high86 Ų8655.8 Ų55.840%0.40227%0.27SS..Hα-helixtrans-60.2-48.3171.6-73.9170.5171.600110.9R98 L104 L105 E106 V134R98-E102 HydrophobicContact CG-CG 4.37Å; R98-E102 WeakPolarHBondContact CG-OE1 3.45Å; R98-E102 WeakPolarHBondContact O-CB 3.47Å; R98-E102 WeakPolarHBondContact O-CG 3.35Å; R98-E102 PolarHBondContact O-N 3.33Å; E102-L104 PolarHBondContact O-N 3.35Å; E102-L105 WeakPolarHBondContact O-CB 3.32Å; E102-L105 PolarHBondContact O-N 3.42Å; E102-E106 PolarHBondContact O-N 2.88Å; E102-V134 HydrophobicContact CG-CG1 3.96Å; E102-V134 HydrophobicContact CG-CG2 4.28Å
103R91.4Very high91.5Very high96 Ų9660.5 Ų60.536%0.36228%0.284SS..Hα-helixtrans-62.9-31.6176.4-168.2176.4-163.6124.914.5113.3M1 Q99 K100 L105 E106 E107M1-R103 VanDerWaalsContact N-CZ 3.26Å; M1-R103 WeakPolarHBondContact O-CD 3.32Å; Q99-R103 VanDerWaalsContact O-CB 3.3Å; Q99-R103 WeakPolarHBondContact O-CB 3.43Å; Q99-R103 PolarHBondContact O-N 2.78Å; Q99-R103 VanDerWaalsContact O-N 3.09Å; K100-R103 PolarHBondContact O-N 2.84Å; R103-L105 VanDerWaalsContact C-N 3.29Å; R103-E106 WeakPolarHBondContact O-CB 3.38Å; R103-E106 PolarHBondContact O-N 3.34Å; R103-E107 IonicContact NE-OE1 2.65Å; R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 2.98Å
104L90.7Very high91.2Very high0 Ų060.6 Ų60.60%028%0.283CS..Hα-helixtrans-60.4-43.2173.9-176.189.9000110.7W3 K100 F101 E102 E106 E107 L111 I118 A138W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.53Å; W3-L104 HydrophobicContact CE3-CD1 4.15Å; W3-L104 HydrophobicContact CG-CD1 3.37Å; K100-L104 PolarHBondContact O-N 2.91Å; F101-L104 HydrophobicContact CD1-CD2 4.36Å; F101-L104 VanDerWaalsContact O-CB 3.25Å; F101-L104 WeakPolarHBondContact O-CB 3.18Å; F101-L104 PolarHBondContact O-N 2.79Å; E102-L104 PolarHBondContact O-N 3.35Å; L104-E106 VanDerWaalsContact C-N 3.27Å; L104-E106 PolarHBondContact O-N 2.72Å; L104-E107 PolarHBondContact O-N 3.47Å; L104-L111 HydrophobicContact CD1-CD1 3.9Å; L104-L111 HydrophobicContact CD1-CD2 3.92Å; L104-L111 HydrophobicContact CD2-CD1 4.44Å; L104-L111 HydrophobicContact CG-CD1 3.77Å; L104-L111 WeakPolarHBondContact O-CD1 3.42Å; L104-I118 HydrophobicContact CD1-CD1 3.21Å; L104-I118 HydrophobicContact CD2-CD1 3.44Å; L104-I118 VanDerWaalsContact CD2-CD1 3.44Å; L104-I118 HydrophobicContact CG-CD1 3.86Å; L104-A138 HydrophobicContact CD2-CB 3.44Å; L104-A138 VanDerWaalsContact CD2-CB 3.44Å
105L89.9Confident91Very high47 Ų4760.2 Ų60.225%0.24628%0.282CS..Hα-helixtrans-64.5-33.1179-62.6172.8000111.8F101 E102 R103 E107 V134 K137 A138 M141F101-L105 WeakPolarHBondContact O-CG 3.39Å; F101-L105 PolarHBondContact O-N 3.17Å; E102-L105 WeakPolarHBondContact O-CB 3.32Å; E102-L105 PolarHBondContact O-N 3.42Å; R103-L105 VanDerWaalsContact C-N 3.29Å; L105-E107 PolarHBondContact O-N 3.26Å; L105-V134 HydrophobicContact CD1-CG1 4.09Å; L105-K137 HydrophobicContact CD1-CB 4Å; L105-K137 HydrophobicContact CD1-CD 4.45Å; L105-K137 HydrophobicContact CD2-CB 3.98Å; L105-A138 HydrophobicContact CD2-CB 4.21Å; L105-M141 HydrophobicContact CD2-CE 3.99Å; L105-M141 HydrophobicContact CD2-SD 4Å
106E91.4Very high91Very high155 Ų15556.5 Ų56.572%0.72426%0.263SS*.Hα-helixtrans-67.5-18.6173-61.6172.9171.600113.2E102 R103 L104E102-E106 PolarHBondContact O-N 2.88Å; R103-E106 WeakPolarHBondContact O-CB 3.38Å; R103-E106 PolarHBondContact O-N 3.34Å; L104-E106 VanDerWaalsContact C-N 3.27Å; L104-E106 PolarHBondContact O-N 2.72Å
107E88.8Confident91.1Very high32 Ų3256 Ų5615%0.1526%0.261CS..THydrogen-bonded Turntrans-104.526-173.8-67.9174.7-178.200112.9S2 W3 R103 L104 L105 E109 N110 L111S2-E107 WeakPolarHBondContact CA-OE1 3.49Å; S2-E107 VanDerWaalsContact CA-OE2 3.3Å; S2-E107 WeakPolarHBondContact CA-OE2 3.47Å; S2-E107 VanDerWaalsContact CB-CD 3.43Å; S2-E107 WeakPolarHBondContact CB-OE1 3.34Å; S2-E107 WeakPolarHBondContact CB-OE2 3.38Å; S2-E107 PolarHBondContact OG-OE1 3.25Å; S2-E107 PolarHBondContact OG-OE2 3.25Å; W3-E107 PolarHBondContact N-OE2 2.93Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; R103-E107 IonicContact NE-OE1 2.65Å; R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 2.98Å; L104-E107 PolarHBondContact O-N 3.47Å; L105-E107 PolarHBondContact O-N 3.26Å; E107-E109 PolarHBondContact O-N 3.41Å; E107-N110 WeakPolarHBondContact O-CB 3.39Å; E107-N110 PolarHBondContact O-N 3.38Å; E107-L111 PolarHBondContact O-N 2.55Å; E107-L111 VanDerWaalsContact O-N 3.11Å
108Q85.8Confident91.2Very high103 Ų10355.6 Ų55.648%0.48126%0.257SS..Hα-helixtrans-52.4-47.4-175.3-175.6175.4-6.700113.6N110 L111 E112 M141Q108-N110 PolarHBondContact O-N 2.88Å; Q108-L111 PolarHBondContact O-N 2.86Å; Q108-L111 VanDerWaalsContact O-N 3.16Å; Q108-E112 PolarHBondContact O-N 2.99Å; Q108-M141 HydrophobicContact CB-SD 3.94Å; Q108-M141 HydrophobicContact CG-CG 4.27Å; Q108-M141 HydrophobicContact CG-SD 3.69Å
109E87.5Confident91.3Very high171 Ų17156 Ų5680%0.79926%0.259SS*.Hα-helixtrans-58.7-37.3179.5-65-177.3176.600112.2E107 K113E107-E109 PolarHBondContact O-N 3.41Å; E109-K113 VanDerWaalsContact O-CB 3.25Å; E109-K113 WeakPolarHBondContact O-CB 3.35Å; E109-K113 PolarHBondContact O-N 3.28Å
110N86.7Confident91.5Very high33 Ų3351.9 Ų51.918%0.17624%0.24CC..Hα-helixtrans-73.1-37.8-179.4-162.51.6000111.3I4 E107 Q108 H114I4-N110 HydrophobicContact CD1-CB 4.23Å; I4-N110 WeakPolarHBondContact CD1-O 3.45Å; E107-N110 WeakPolarHBondContact O-CB 3.39Å; E107-N110 PolarHBondContact O-N 3.38Å; Q108-N110 PolarHBondContact O-N 2.88Å; N110-H114 WeakPolarHBondContact O-CB 3.34Å; N110-H114 PolarHBondContact O-N 2.91Å; N110-H114 VanDerWaalsContact O-N 3.16Å; N110-H114 PolarHBondContact O-ND1 3.32Å; N110-H114 PolarHBondContact OD1-CE1 2.95Å; N110-H114 PolarHBondContact OD1-ND1 3.18Å
111L88.3Confident91.8Very high1 Ų152 Ų521%0.00524%0.241CC..Hα-helixtrans-65.1-41.3174.8-66.2162.9000111.5I4 L104 E107 Q108 H114 G115 V116 I118 M141 T142I4-L111 HydrophobicContact CD1-CD2 3.78Å; I4-L111 HydrophobicContact CD1-CG 4.22Å; I4-L111 HydrophobicContact CG1-CD2 4.4Å; L104-L111 HydrophobicContact CD1-CD1 3.9Å; L104-L111 HydrophobicContact CD1-CD2 3.92Å; L104-L111 HydrophobicContact CD2-CD1 4.44Å; L104-L111 HydrophobicContact CG-CD1 3.77Å; L104-L111 WeakPolarHBondContact O-CD1 3.42Å; E107-L111 PolarHBondContact O-N 2.55Å; E107-L111 VanDerWaalsContact O-N 3.11Å; Q108-L111 PolarHBondContact O-N 2.86Å; Q108-L111 VanDerWaalsContact O-N 3.16Å; L111-H114 CarbonylContact O-C 3.54Å; L111-H114 PolarHBondContact O-N 3.02Å; L111-G115 WeakPolarHBondContact O-CA 3.4Å; L111-G115 PolarHBondContact O-N 2.93Å; L111-V116 HydrophobicContact CD2-CB 3.92Å; L111-V116 HydrophobicContact CD2-CG1 4.18Å; L111-V116 HydrophobicContact CD2-CG2 4.48Å; L111-V116 PolarHBondContact O-N 2.91Å; L111-I118 HydrophobicContact CD2-CD1 4.05Å; L111-M141 HydrophobicContact CD1-CE 3.53Å; L111-T142 HydrophobicContact CD1-CG2 4.24Å
112E89.7Confident91.9Very high125 Ų12552.3 Ų52.358%0.58425%0.245SC*.Hα-helixtrans-68.3-48.7177.7-175.8172.3-168.800111.6Q108 H114 G115Q108-E112 PolarHBondContact O-N 2.99Å; E112-H114 PolarHBondContact O-N 3.23Å; E112-H114 VanDerWaalsContact O-N 3.14Å; E112-G115 PolarHBondContact O-N 3.29Å
113K89.3Confident92Very high124 Ų12449.1 Ų49.154%0.53923%0.231SC..Hα-helixtrans-48.8-44.7174.1177.7-175.2176.2-170.50111.2E6 E109 K147E6-K113 IonicContact OE1-NZ 2.9Å; E6-K113 PolarHBondContact OE1-NZ 3.17Å; E109-K113 VanDerWaalsContact O-CB 3.25Å; E109-K113 WeakPolarHBondContact O-CB 3.35Å; E109-K113 PolarHBondContact O-N 3.28Å; K113-K147 PolarHBondContact O-NZ 2.84Å
114H87.4Confident92.2Very high23 Ų2345 Ų4511%0.10622%0.216CC..Hα-helixtrans-90.2-6.4-177.9-69.1109.1000115I4 E6 K66 N110 L111 E112 V116 K147I4-H114 HydrophobicContact CD1-CB 4.19Å; E6-H114 IonicContact OE1-CE1 3.71Å; E6-H114 PolarHBondContact OE1-CE1 2.82Å; K66-H114 PolarHBondContact NZ-CD2 3.34Å; K66-H114 PolarHBondContact NZ-NE2 2.81Å; N110-H114 WeakPolarHBondContact O-CB 3.34Å; N110-H114 PolarHBondContact O-N 2.91Å; N110-H114 VanDerWaalsContact O-N 3.16Å; N110-H114 PolarHBondContact O-ND1 3.32Å; N110-H114 PolarHBondContact OD1-CE1 2.95Å; N110-H114 PolarHBondContact OD1-ND1 3.18Å; L111-H114 CarbonylContact O-C 3.54Å; L111-H114 PolarHBondContact O-N 3.02Å; E112-H114 PolarHBondContact O-N 3.23Å; E112-H114 VanDerWaalsContact O-N 3.14Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.75Å; H114-V116 PolarHBondContact O-N 2.58Å; H114-K147 WeakPolarHBondContact O-CB 3.41Å
115G91.4Very high92.4Very high4 Ų450.1 Ų50.14%0.04124%0.243CC..THydrogen-bonded Turntrans54.444.6-177.400000113L111 E112 K147 C148L111-G115 WeakPolarHBondContact O-CA 3.4Å; L111-G115 PolarHBondContact O-N 2.93Å; E112-G115 PolarHBondContact O-N 3.29Å; G115-K147 WeakPolarHBondContact O-CB 3.15Å; G115-K147 PolarHBondContact O-N 2.9Å; G115-C148 PolarHBondContact O-N 2.8Å
116V93.5Very high92.6Very high18 Ų1851.6 Ų51.611%0.10925%0.25CC..EExtended strand (participates in β ladder)trans-85.6115.6-179.8-176.10000110.4I4 L111 H114 I118 T142 H145 C148I4-V116 HydrophobicContact CD1-CG2 3.97Å; L111-V116 HydrophobicContact CD2-CB 3.92Å; L111-V116 HydrophobicContact CD2-CG1 4.18Å; L111-V116 HydrophobicContact CD2-CG2 4.48Å; L111-V116 PolarHBondContact O-N 2.91Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.75Å; H114-V116 PolarHBondContact O-N 2.58Å; V116-I118 HydrophobicContact CG1-CD1 4.47Å; V116-I118 HydrophobicContact CG1-CG1 4.09Å; V116-T142 WeakPolarHBondContact O-CB 3.43Å; V116-H145 PolarHBondContact O-ND1 3.18Å; V116-C148 CarbonylContact C-O 3.57Å; V116-C148 WeakPolarHBondContact CA-O 3.35Å; V116-C148 HydrophobicContact CG2-CB 4.36Å
117C96.3Very high92.9Very high5 Ų544.5 Ų44.53%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-92122.6171.4-178.10000109.8H145 C148 F149 L150C117-H145 HydrophobicContact CB-CB 4.06Å; C117-H145 WeakPolarHBondContact CB-O 3.44Å; C117-C148 PolarHBondContact N-O 3.4Å; C117-F149 HydrophobicContact CB-CD1 3.56Å; C117-F149 HydrophobicContact CB-CE1 3.84Å; C117-F149 WeakPolarHBondContact O-CA 3.29Å; C117-L150 PolarHBondContact O-N 3.41Å
118I96.6Very high93.2Very high2 Ų245.3 Ų45.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-106.8129.1178.7-67.1168.8000109.2L104 L111 V116 V120 T142 L150L104-I118 HydrophobicContact CD1-CD1 3.21Å; L104-I118 HydrophobicContact CD2-CD1 3.44Å; L104-I118 VanDerWaalsContact CD2-CD1 3.44Å; L104-I118 HydrophobicContact CG-CD1 3.86Å; L111-I118 HydrophobicContact CD2-CD1 4.05Å; V116-I118 HydrophobicContact CG1-CD1 4.47Å; V116-I118 HydrophobicContact CG1-CG1 4.09Å; I118-V120 HydrophobicContact CG2-CG2 4.48Å; I118-T142 PolarHBondContact N-OG1 3.46Å; I118-T142 PolarHBondContact O-OG1 3.19Å; I118-L150 WeakPolarHBondContact CA-O 3.34Å; I118-L150 HydrophobicContact CG1-CB 4.36Å
119R97.6Very high93.7Very high43 Ų4344.9 Ų44.916%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-123.9138175.8-50.8-176.5-170.3157.2-8.1108.1E72 L121 L150 N151 V152 N196 S197E72-R119 IonicContact OE1-NH1 2.79Å; R119-L121 HydrophobicContact CB-CD2 4.21Å; R119-L150 PolarHBondContact N-O 3.46Å; R119-N151 WeakPolarHBondContact CB-OD1 3.27Å; R119-N151 WeakPolarHBondContact CD-OD1 3.45Å; R119-N151 CarbonylContact O-C 3.55Å; R119-N151 WeakPolarHBondContact O-CA 3.21Å; R119-V152 PolarHBondContact O-N 3.4Å; R119-N196 VanDerWaalsContact NH1-C 3.26Å; R119-N196 VanDerWaalsContact NH1-CB 3.33Å; R119-N196 PolarHBondContact NH1-O 3.13Å; R119-N196 PolarHBondContact NH2-O 2.96Å; R119-S197 PolarHBondContact NH1-OG 3.41Å
120V97.8Very high94Very high9 Ų940.4 Ų40.46%0.05521%0.207CC..EExtended strand (participates in β ladder)trans-115.7121.1175.4-171.70000108.3F101 I118 L124 I135 V139 V152 F154F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.74Å; I118-V120 HydrophobicContact CG2-CG2 4.48Å; V120-L124 HydrophobicContact CG1-CD2 3.88Å; V120-I135 HydrophobicContact CB-CG2 3.73Å; V120-I135 HydrophobicContact CG1-CD1 4.42Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.66Å; V120-V139 HydrophobicContact CB-CG2 4.42Å; V120-V139 HydrophobicContact CG2-CG2 4.03Å; V120-V152 CarbonylContact C-O 3.51Å; V120-V152 WeakPolarHBondContact CA-O 3.32Å; V120-V152 WeakPolarHBondContact CG1-O 3.39Å; V120-V152 HydrophobicContact CG2-CB 4.43Å; V120-F154 HydrophobicContact CG1-CB 3.82Å
121L98.2Very high94.5Very high11 Ų1138.8 Ų38.86%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-112.9126.3-171.2-47.9-175.3000109.8R119 N151 V152 C153 F154 Y193R119-L121 HydrophobicContact CB-CD2 4.21Å; L121-N151 HydrophobicContact CD1-CB 3.9Å; L121-N151 HydrophobicContact CG-CB 4.31Å; L121-V152 PolarHBondContact N-O 2.84Å; L121-C153 CarbonylContact O-C 3.41Å; L121-C153 VanDerWaalsContact O-CA 3.25Å; L121-C153 WeakPolarHBondContact O-CA 3.25Å; L121-F154 PolarHBondContact O-N 3.12Å; L121-Y193 WeakPolarHBondContact CD2-O 3.33Å
122G97.4Very high94.9Very high10 Ų1039.7 Ų39.710%0.10320%0.203CC..SBendtrans150.2-173.6177.500000112.7L124 F154G122-L124 PolarHBondContact O-N 3.26Å; G122-L124 VanDerWaalsContact O-N 3.13Å; G122-F154 WeakPolarHBondContact CA-O 3.42Å
123D96.5Very high95.2Very high19 Ų1935.5 Ų35.510%0.10218%0.183CC..  trans-84.583.5175.3-167.22000110.6N125 M126 A155 Y160D123-N125 PolarHBondContact O-N 3.22Å; D123-N125 PolarHBondContact OD1-N 2.95Å; D123-N125 PolarHBondContact OD1-ND2 3.45Å; D123-M126 HydrophobicContact CB-CG 4Å; D123-M126 HydrophobicContact CB-SD 4.14Å; D123-M126 WeakPolarHBondContact O-CB 3.42Å; D123-M126 PolarHBondContact O-N 2.77Å; D123-M126 VanDerWaalsContact O-N 3.12Å; D123-A155 PolarHBondContact N-O 3.49Å; D123-A155 WeakPolarHBondContact O-CB 3.4Å; D123-Y160 HydrophobicContact CB-CD1 4.05Å; D123-Y160 HydrophobicContact CB-CE1 3.49Å; D123-Y160 VanDerWaalsContact CB-CE1 3.49Å; D123-Y160 WeakPolarHBondContact OD2-CE1 3.46Å; D123-Y160 PolarHBondContact OD2-OH 3.42Å
124L95.4Very high95.5Very high9 Ų930.3 Ų30.35%0.04716%0.162CC..G310 helixtrans-65.9-21.1-175.5-54.9-175000112.7V120 G122 M126 L127 Q132 I135 F324 F325V120-L124 HydrophobicContact CG1-CD2 3.88Å; G122-L124 PolarHBondContact O-N 3.26Å; G122-L124 VanDerWaalsContact O-N 3.13Å; L124-M126 PolarHBondContact O-N 3.15Å; L124-M126 VanDerWaalsContact O-N 3.15Å; L124-L127 HydrophobicContact CD2-CD1 3.88Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 3.33Å; L124-Q132 VanDerWaalsContact O-CG 3.26Å; L124-Q132 WeakPolarHBondContact O-CG 3.48Å; L124-Q132 PolarHBondContact O-NE2 3.16Å; L124-I135 HydrophobicContact CD1-CG2 4.15Å; L124-F324 HydrophobicContact CB-CE1 4.31Å; L124-F324 HydrophobicContact CB-CZ 4.24Å; L124-F324 HydrophobicContact CD1-CE1 4.19Å; L124-F325 HydrophobicContact CD1-CE1 3.67Å; L124-F325 HydrophobicContact CD1-CZ 3.9Å
125N95Very high95.9Very high108 Ų10829.3 Ų29.358%0.57816%0.157SC*.G310 helixtrans-63.5-19.6175.3-57.2-65.8000112.6D123 L127 F324D123-N125 PolarHBondContact O-N 3.22Å; D123-N125 PolarHBondContact OD1-N 2.95Å; D123-N125 PolarHBondContact OD1-ND2 3.45Å; N125-L127 PolarHBondContact O-N 3.04Å; N125-F324 WeakPolarHBondContact OD1-CE2 3.49Å
126M95.1Very high96.2Very high78 Ų7829.1 Ų29.138%0.38416%0.155SC..G310 helixtrans-76.2-11.4175.2-60-17073.200113.4I80 F83 D123 L124 A155I80-M126 HydrophobicContact CD1-SD 4.18Å; I80-M126 HydrophobicContact CG1-SD 4.16Å; I80-M126 HydrophobicContact CG2-CE 4Å; I80-M126 HydrophobicContact CG2-SD 4.01Å; F83-M126 HydrophobicContact CD2-CE 3.87Å; F83-M126 HydrophobicContact CE2-CB 4.01Å; F83-M126 HydrophobicContact CE2-CE 3.84Å; F83-M126 HydrophobicContact CE2-SD 4.17Å; F83-M126 HydrophobicContact CZ-CB 4.03Å; D123-M126 HydrophobicContact CB-CG 4Å; D123-M126 HydrophobicContact CB-SD 4.14Å; D123-M126 WeakPolarHBondContact O-CB 3.42Å; D123-M126 PolarHBondContact O-N 2.77Å; D123-M126 VanDerWaalsContact O-N 3.12Å; L124-M126 PolarHBondContact O-N 3.15Å; L124-M126 VanDerWaalsContact O-N 3.15Å; M126-A155 HydrophobicContact CB-CB 4.47Å
127L96.4Very high96.3Very high7 Ų731.6 Ų31.64%0.03717%0.165CC..SBendtrans-88.7155.3-176.8-58.2177.2000111.1F83 L94 L124 N125 L131 Q132 I135 F154 A155F83-L127 HydrophobicContact CZ-CD2 4.17Å; L94-L127 HydrophobicContact CD2-CD2 3.97Å; L124-L127 HydrophobicContact CD2-CD1 3.88Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 3.33Å; N125-L127 PolarHBondContact O-N 3.04Å; L127-L131 HydrophobicContact CB-CD2 4.43Å; L127-L131 HydrophobicContact CD1-CD2 4.31Å; L127-L131 HydrophobicContact CD2-CD2 4.32Å; L127-Q132 HydrophobicContact CB-CG 3.91Å; L127-Q132 PolarHBondContact O-NE2 3.03Å; L127-I135 HydrophobicContact CD1-CD1 3.72Å; L127-F154 HydrophobicContact CD1-CD1 3.87Å; L127-F154 HydrophobicContact CD1-CE1 4.31Å; L127-F154 HydrophobicContact CD2-CD1 3.78Å; L127-F154 HydrophobicContact CD2-CE1 3.67Å; L127-F154 HydrophobicContact CG-CD1 4.47Å; L127-A155 HydrophobicContact CD2-CB 4Å; L127-A155 HydrophobicContact CG-CB 4.31Å
128P96.2Very high96.2Very high48 Ų4831.4 Ų31.431%0.31216%0.163SC..  trans-54.3139.7167.3-27.237.4000111.8L94 D130 L131 Q132L94-P128 HydrophobicContact CD1-CG 3.96Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.3Å; P128-D130 PolarHBondContact O-N 3.48Å; P128-L131 WeakPolarHBondContact O-CA 3.38Å; P128-L131 WeakPolarHBondContact O-CB 3.18Å; P128-L131 PolarHBondContact O-N 3.26Å; P128-Q132 PolarHBondContact O-N 2.96Å
129L95.1Very high96.2Very high95 Ų9532.2 Ų32.250%0.49717%0.168SC..Hα-helixtrans-55.1-44.8-173.4-179.463.5000112.4L131 Q132 E133 L328L129-L131 VanDerWaalsContact C-N 3.25Å; L129-L131 PolarHBondContact O-N 2.85Å; L129-Q132 WeakPolarHBondContact O-CA 3.26Å; L129-Q132 WeakPolarHBondContact O-CB 3.32Å; L129-Q132 PolarHBondContact O-N 3.33Å; L129-E133 WeakPolarHBondContact O-CG 3.06Å; L129-E133 PolarHBondContact O-N 3.43Å; L129-L328 HydrophobicContact CD1-CD2 3.95Å
130D94.4Very high96.1Very high76 Ų7632.3 Ų32.341%0.40617%0.173SC..Hα-helixtrans-59.3-34.1177.260.4-11.2000112.8R98 P128 V134R98-D130 IonicContact CZ-OD1 3.46Å; R98-D130 IonicContact CZ-OD2 3.42Å; R98-D130 IonicContact NE-OD2 2.75Å; R98-D130 PolarHBondContact NH1-O 2.81Å; R98-D130 IonicContact NH1-OD1 2.73Å; R98-D130 PolarHBondContact NH1-OD1 3.43Å; R98-D130 VanDerWaalsContact NH1-OD1 3.14Å; R98-D130 IonicContact NH1-OD2 2.82Å; R98-D130 PolarHBondContact NH1-OD2 3.05Å; R98-D130 IonicContact NH2-OD1 3.73Å; R98-D130 PolarHBondContact NH2-OD1 3.09Å; R98-D130 IonicContact NH2-OD2 2.75Å; R98-D130 PolarHBondContact NH2-OD2 3.29Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.3Å; P128-D130 PolarHBondContact O-N 3.48Å; D130-V134 VanDerWaalsContact O-CG2 3.31Å; D130-V134 WeakPolarHBondContact O-CG2 3.02Å; D130-V134 PolarHBondContact O-N 3.01Å
131L96.1Very high95.9Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-74.9-37.4173.918058.9000111.4L94 A97 R98 F101 L127 P128 L129 E133 V134 I135 F154L94-L131 HydrophobicContact CB-CD2 4.41Å; L94-L131 HydrophobicContact CD2-CD2 3.88Å; A97-L131 HydrophobicContact CB-CD1 4.28Å; A97-L131 HydrophobicContact CB-CD2 4.38Å; R98-L131 HydrophobicContact CB-CD1 4.15Å; F101-L131 HydrophobicContact CD2-CD1 4.36Å; L127-L131 HydrophobicContact CB-CD2 4.43Å; L127-L131 HydrophobicContact CD1-CD2 4.31Å; L127-L131 HydrophobicContact CD2-CD2 4.32Å; P128-L131 WeakPolarHBondContact O-CA 3.38Å; P128-L131 WeakPolarHBondContact O-CB 3.18Å; P128-L131 PolarHBondContact O-N 3.26Å; L129-L131 VanDerWaalsContact C-N 3.25Å; L129-L131 PolarHBondContact O-N 2.85Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.17Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-I135 HydrophobicContact CD1-CD1 4.09Å; L131-I135 HydrophobicContact CD1-CG1 4.3Å; L131-I135 HydrophobicContact CG-CD1 3.91Å; L131-I135 WeakPolarHBondContact O-CB 3.46Å; L131-I135 VanDerWaalsContact O-CG1 3.32Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 3.27Å; L131-F154 HydrophobicContact CD2-CE1 4.35Å
132Q96.9Very high95.8Very high20 Ų2033.6 Ų33.69%0.09318%0.179CC..Hα-helixtrans-59-44.7174.2-62.1-177.544.300111.1L124 L127 P128 L129 I135 A136 L328L124-Q132 VanDerWaalsContact O-CG 3.26Å; L124-Q132 WeakPolarHBondContact O-CG 3.48Å; L124-Q132 PolarHBondContact O-NE2 3.16Å; L127-Q132 HydrophobicContact CB-CG 3.91Å; L127-Q132 PolarHBondContact O-NE2 3.03Å; P128-Q132 PolarHBondContact O-N 2.96Å; L129-Q132 WeakPolarHBondContact O-CA 3.26Å; L129-Q132 WeakPolarHBondContact O-CB 3.32Å; L129-Q132 PolarHBondContact O-N 3.33Å; Q132-I135 PolarHBondContact O-N 3.28Å; Q132-A136 WeakPolarHBondContact O-CB 3.3Å; Q132-A136 PolarHBondContact O-N 2.99Å; Q132-L328 HydrophobicContact CB-CD1 4.15Å; Q132-L328 HydrophobicContact CB-CD2 4.49Å
133E95.9Very high95.6Very high37 Ų3738.9 Ų38.917%0.17320%0.199CC..Hα-helixtrans-62.2-45.5178.7-70.4178.5-162.200112.6L129 L131 I135 A136 K137 T332L129-E133 WeakPolarHBondContact O-CG 3.06Å; L129-E133 PolarHBondContact O-N 3.43Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.17Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 2.81Å; E133-A136 PolarHBondContact O-N 3.45Å; E133-K137 WeakPolarHBondContact O-CG 3.45Å; E133-K137 PolarHBondContact O-N 3.4Å; E133-T332 PolarHBondContact OE2-OG1 3.08Å
134V96.1Very high95.5Very high15 Ų1544.5 Ų44.59%0.09123%0.229CC..Hα-helixtrans-65.2-40.3178.8178.10000110.6F101 E102 L105 D130 L131 K137 A138F101-V134 HydrophobicContact CB-CG1 3.48Å; F101-V134 VanDerWaalsContact CB-CG1 3.48Å; E102-V134 HydrophobicContact CG-CG1 3.96Å; E102-V134 HydrophobicContact CG-CG2 4.28Å; L105-V134 HydrophobicContact CD1-CG1 4.09Å; D130-V134 VanDerWaalsContact O-CG2 3.31Å; D130-V134 WeakPolarHBondContact O-CG2 3.02Å; D130-V134 PolarHBondContact O-N 3.01Å; L131-V134 PolarHBondContact O-N 2.93Å; V134-K137 PolarHBondContact O-N 3.49Å; V134-A138 PolarHBondContact O-N 2.85Å; V134-A138 VanDerWaalsContact O-N 3.12Å
135I96.6Very high95.5Very high1 Ų145.7 Ų45.71%0.00523%0.234CC..Hα-helixtrans-61.2-46173-74.1167.3000110.8F101 V120 L124 L127 L131 Q132 E133 K137 A138 V139F101-I135 HydrophobicContact CD1-CG1 4.44Å; F101-I135 HydrophobicContact CD2-CD1 4.42Å; F101-I135 HydrophobicContact CD2-CG1 3.75Å; F101-I135 HydrophobicContact CE1-CG1 4.35Å; F101-I135 HydrophobicContact CE2-CD1 4.04Å; F101-I135 HydrophobicContact CE2-CG1 3.65Å; F101-I135 HydrophobicContact CG-CG1 4.17Å; F101-I135 HydrophobicContact CZ-CG1 3.97Å; V120-I135 HydrophobicContact CB-CG2 3.73Å; V120-I135 HydrophobicContact CG1-CD1 4.42Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.66Å; L124-I135 HydrophobicContact CD1-CG2 4.15Å; L127-I135 HydrophobicContact CD1-CD1 3.72Å; L131-I135 HydrophobicContact CD1-CD1 4.09Å; L131-I135 HydrophobicContact CD1-CG1 4.3Å; L131-I135 HydrophobicContact CG-CD1 3.91Å; L131-I135 WeakPolarHBondContact O-CB 3.46Å; L131-I135 VanDerWaalsContact O-CG1 3.32Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 3.27Å; Q132-I135 PolarHBondContact O-N 3.28Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 2.81Å; I135-K137 PolarHBondContact O-N 2.92Å; I135-A138 WeakPolarHBondContact O-CB 3.34Å; I135-A138 PolarHBondContact O-N 3.14Å; I135-V139 HydrophobicContact CG2-CG2 4.31Å; I135-V139 WeakPolarHBondContact O-CG2 3.45Å; I135-V139 PolarHBondContact O-N 3.23Å
136A96.5Very high95.4Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-60.6-44.4-179.700000111.7Q132 E133 A138 V139 V140 F325 L328 C329Q132-A136 WeakPolarHBondContact O-CB 3.3Å; Q132-A136 PolarHBondContact O-N 2.99Å; E133-A136 PolarHBondContact O-N 3.45Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.02Å; A136-V139 PolarHBondContact O-N 3.15Å; A136-V140 WeakPolarHBondContact O-CB 3.36Å; A136-V140 VanDerWaalsContact O-CG2 3.29Å; A136-V140 WeakPolarHBondContact O-CG2 3.31Å; A136-V140 PolarHBondContact O-N 3.18Å; A136-F325 HydrophobicContact CB-CB 4.44Å; A136-F325 HydrophobicContact CB-CD1 3.89Å; A136-L328 HydrophobicContact CB-CB 3.86Å; A136-L328 HydrophobicContact CB-CD1 4.27Å; A136-C329 VanDerWaalsContact C-SG 3.58Å
137K95.8Very high95.2Very high71 Ų7148.5 Ų48.531%0.30925%0.245SC..Hα-helixtrans-57.6-45.7174.7-71.2169.9-172.4167.20111.4L105 E133 V134 I135 M141L105-K137 HydrophobicContact CD1-CB 4Å; L105-K137 HydrophobicContact CD1-CD 4.45Å; L105-K137 HydrophobicContact CD2-CB 3.98Å; E133-K137 WeakPolarHBondContact O-CG 3.45Å; E133-K137 PolarHBondContact O-N 3.4Å; V134-K137 PolarHBondContact O-N 3.49Å; I135-K137 PolarHBondContact O-N 2.92Å; K137-M141 WeakPolarHBondContact O-CB 3.48Å; K137-M141 PolarHBondContact O-N 3.24Å
138A94.8Very high95.1Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-62.6-44.8179.200000112.9F101 L104 L105 V134 I135 A136 T142F101-A138 HydrophobicContact CD1-CB 4.06Å; L104-A138 HydrophobicContact CD2-CB 3.44Å; L104-A138 VanDerWaalsContact CD2-CB 3.44Å; L105-A138 HydrophobicContact CD2-CB 4.21Å; V134-A138 PolarHBondContact O-N 2.85Å; V134-A138 VanDerWaalsContact O-N 3.12Å; I135-A138 WeakPolarHBondContact O-CB 3.34Å; I135-A138 PolarHBondContact O-N 3.14Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.02Å; A138-T142 WeakPolarHBondContact O-CG2 3.49Å; A138-T142 PolarHBondContact O-N 2.88Å; A138-T142 PolarHBondContact O-OG1 2.94Å
139V96.1Very high95.1Very high20 Ų2049.5 Ų49.512%0.12125%0.248CC..Hα-helixtrans-65.9-48.5178.4172.50000110.6V120 I135 A136 M141 T142 K143 F325V120-V139 HydrophobicContact CB-CG2 4.42Å; V120-V139 HydrophobicContact CG2-CG2 4.03Å; I135-V139 HydrophobicContact CG2-CG2 4.31Å; I135-V139 WeakPolarHBondContact O-CG2 3.45Å; I135-V139 PolarHBondContact O-N 3.23Å; A136-V139 PolarHBondContact O-N 3.15Å; V139-M141 PolarHBondContact O-N 3.18Å; V139-T142 PolarHBondContact O-N 3.08Å; V139-K143 WeakPolarHBondContact O-CB 3.31Å; V139-K143 PolarHBondContact O-N 3.4Å; V139-F325 HydrophobicContact CB-CD1 4.48Å; V139-F325 HydrophobicContact CB-CE1 4.49Å; V139-F325 HydrophobicContact CG1-CD2 4.44Å; V139-F325 HydrophobicContact CG1-CE1 4.48Å; V139-F325 HydrophobicContact CG1-CE2 4.42Å; V139-F325 HydrophobicContact CG1-CG 4.47Å; V139-F325 HydrophobicContact CG1-CZ 4.44Å; V139-F325 HydrophobicContact CG2-CE1 4.36Å
140V95.3Very high95.2Very high44 Ų4445.2 Ų45.227%0.26723%0.225SC..Hα-helixtrans-64.1-42-179.2171.90000111.6A136 T142 K143 F325A136-V140 WeakPolarHBondContact O-CB 3.36Å; A136-V140 VanDerWaalsContact O-CG2 3.29Å; A136-V140 WeakPolarHBondContact O-CG2 3.31Å; A136-V140 PolarHBondContact O-N 3.18Å; V140-T142 VanDerWaalsContact C-N 3.27Å; V140-T142 PolarHBondContact O-N 3.33Å; V140-K143 VanDerWaalsContact O-CG 3.31Å; V140-K143 WeakPolarHBondContact O-CG 3.43Å; V140-F325 HydrophobicContact CG2-CB 3.92Å
141M94.4Very high95.4Very high48 Ų4841.7 Ų41.724%0.23621%0.206CC..Hα-helixtrans-60.8-36.4178.9-179.2-175.973.500112.3L105 Q108 L111 K137 V139L105-M141 HydrophobicContact CD2-CE 3.99Å; L105-M141 HydrophobicContact CD2-SD 4Å; Q108-M141 HydrophobicContact CB-SD 3.94Å; Q108-M141 HydrophobicContact CG-CG 4.27Å; Q108-M141 HydrophobicContact CG-SD 3.69Å; L111-M141 HydrophobicContact CD1-CE 3.53Å; K137-M141 WeakPolarHBondContact O-CB 3.48Å; K137-M141 PolarHBondContact O-N 3.24Å; V139-M141 PolarHBondContact O-N 3.18Å
142T95.3Very high95.6Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-103.12.2-173.163.30000114.3L111 V116 I118 A138 V139 V140 N144 H145L111-T142 HydrophobicContact CD1-CG2 4.24Å; V116-T142 WeakPolarHBondContact O-CB 3.43Å; I118-T142 PolarHBondContact N-OG1 3.46Å; I118-T142 PolarHBondContact O-OG1 3.19Å; A138-T142 WeakPolarHBondContact O-CG2 3.49Å; A138-T142 PolarHBondContact O-N 2.88Å; A138-T142 PolarHBondContact O-OG1 2.94Å; V139-T142 PolarHBondContact O-N 3.08Å; V140-T142 VanDerWaalsContact C-N 3.27Å; V140-T142 PolarHBondContact O-N 3.33Å; T142-N144 VanDerWaalsContact C-N 3.27Å; T142-N144 PolarHBondContact O-N 2.93Å; T142-N144 VanDerWaalsContact O-N 3.17Å; T142-H145 VanDerWaalsContact O-CB 3.32Å; T142-H145 WeakPolarHBondContact O-CB 3.49Å; T142-H145 PolarHBondContact O-N 3.15Å; T142-H145 VanDerWaalsContact O-N 3.09Å
143K94.6Very high95.6Very high121 Ų12141 Ų4153%0.52620%0.203SC..THydrogen-bonded Turntrans-59.7-30.5-171.974.7-175.1-178.9175.20115.1V139 V140V139-K143 WeakPolarHBondContact O-CB 3.31Å; V139-K143 PolarHBondContact O-N 3.4Å; V140-K143 VanDerWaalsContact O-CG 3.31Å; V140-K143 WeakPolarHBondContact O-CG 3.43Å
144N94.5Very high95.7Very high137 Ų13739.8 Ų39.873%0.73320%0.198SC*.THydrogen-bonded Turntrans-91.7-2.4-177.2-67.2-26.3000112.9T142T142-N144 VanDerWaalsContact C-N 3.27Å; T142-N144 PolarHBondContact O-N 2.93Å; T142-N144 VanDerWaalsContact O-N 3.17Å
145H94.3Very high95.8Very high33 Ų3339 Ų3915%0.15319%0.193CC..  trans-74147.7176.2-63.6170.1000110.9V116 C117 T142V116-H145 PolarHBondContact O-ND1 3.18Å; C117-H145 HydrophobicContact CB-CB 4.06Å; C117-H145 WeakPolarHBondContact CB-O 3.44Å; T142-H145 VanDerWaalsContact O-CB 3.32Å; T142-H145 WeakPolarHBondContact O-CB 3.49Å; T142-H145 PolarHBondContact O-N 3.15Å; T142-H145 VanDerWaalsContact O-N 3.09Å
146N92.6Very high95.9Very high122 Ų12239 Ų3965%0.65219%0.193SC*.  trans-142.28.1-167.567.8-7.1000115.7
147K91.3Very high96Very high123 Ų12339.6 Ų39.654%0.53520%0.196SC..SBendtrans-94.7-43.3-176.8-64.2-178.9-174.6168.40112.5K113 H114 G115K113-K147 PolarHBondContact O-NZ 2.84Å; H114-K147 WeakPolarHBondContact O-CB 3.41Å; G115-K147 WeakPolarHBondContact O-CB 3.15Å; G115-K147 PolarHBondContact O-N 2.9Å
148C93.6Very high96.1Very high29 Ų2936.2 Ų36.220%0.19618%0.182CC..EExtended strand (participates in β ladder)trans-135.9143178.4-58.30000109.9P71 G115 V116 C117P71-C148 CarbonylContact O-C 3.54Å; P71-C148 VanDerWaalsContact O-CA 3.27Å; P71-C148 WeakPolarHBondContact O-CA 3.38Å; G115-C148 PolarHBondContact O-N 2.8Å; V116-C148 CarbonylContact C-O 3.57Å; V116-C148 WeakPolarHBondContact CA-O 3.35Å; V116-C148 HydrophobicContact CG2-CB 4.36Å; C117-C148 PolarHBondContact N-O 3.4Å
149F97.4Very high96.3Very high48 Ų4844.6 Ų44.621%0.21121%0.213CC..EExtended strand (participates in β ladder)trans-120.3129.5-178.2-59.1-84000109.8P71 E72 V73 C117P71-F149 PolarHBondContact O-N 3.47Å; E72-F149 WeakPolarHBondContact CA-O 3.43Å; E72-F149 HydrophobicContact CB-CB 4.06Å; E72-F149 HydrophobicContact CG-CB 3.71Å; V73-F149 PolarHBondContact N-O 3.25Å; C117-F149 HydrophobicContact CB-CD1 3.56Å; C117-F149 HydrophobicContact CB-CE1 3.84Å; C117-F149 WeakPolarHBondContact O-CA 3.29Å
150L97.8Very high96.4Very high5 Ų546.7 Ų46.73%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-122.8111.7174.4177.557.6000109.6W3 L62 V73 V75 C117 I118 R119 V152W3-L150 HydrophobicContact CE3-CD2 3.67Å; W3-L150 HydrophobicContact CZ3-CD2 3.51Å; L62-L150 HydrophobicContact CD1-CD1 4.22Å; L62-L150 HydrophobicContact CD1-CD2 3.63Å; L62-L150 HydrophobicContact CD2-CD1 3.82Å; V73-L150 HydrophobicContact CB-CD1 4.37Å; V73-L150 HydrophobicContact CG1-CD1 4.43Å; V73-L150 WeakPolarHBondContact O-CA 3.39Å; V75-L150 HydrophobicContact CG1-CD1 4.46Å; V75-L150 HydrophobicContact CG2-CD1 4.36Å; C117-L150 PolarHBondContact O-N 3.41Å; I118-L150 WeakPolarHBondContact CA-O 3.34Å; I118-L150 HydrophobicContact CG1-CB 4.36Å; R119-L150 PolarHBondContact N-O 3.46Å; L150-V152 HydrophobicContact CD1-CG2 4.5Å; L150-V152 HydrophobicContact CD2-CG2 4.32Å; L150-V152 HydrophobicContact CG-CG2 4Å
151N98.6Very high96.6Very high1 Ų144.6 Ų44.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-97.6116.3173.7-50.4-58.7000109.2E72 V73 T74 V75 R119 L121 S197E72-N151 PolarHBondContact OE1-ND2 3Å; V73-N151 PolarHBondContact O-N 2.98Å; T74-N151 CarbonylContact C-O 3.54Å; T74-N151 VanDerWaalsContact CA-O 3.3Å; T74-N151 WeakPolarHBondContact CA-O 3.32Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.31Å; T74-N151 PolarHBondContact OG1-ND2 2.85Å; V75-N151 PolarHBondContact N-O 3.32Å; R119-N151 WeakPolarHBondContact CB-OD1 3.27Å; R119-N151 WeakPolarHBondContact CD-OD1 3.45Å; R119-N151 CarbonylContact O-C 3.55Å; R119-N151 WeakPolarHBondContact O-CA 3.21Å; L121-N151 HydrophobicContact CD1-CB 3.9Å; L121-N151 HydrophobicContact CG-CB 4.31Å; N151-S197 PolarHBondContact ND2-OG 3.43Å
152V98.3Very high96.8Very high5 Ų544.4 Ų44.43%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-101.8106.5177.4-174.80000108.4W3 V75 A77 R119 V120 L121 L150 F154W3-V152 HydrophobicContact CH2-CG2 4.27Å; W3-V152 HydrophobicContact CZ3-CG2 4.16Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.32Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; R119-V152 PolarHBondContact O-N 3.4Å; V120-V152 CarbonylContact C-O 3.51Å; V120-V152 WeakPolarHBondContact CA-O 3.32Å; V120-V152 WeakPolarHBondContact CG1-O 3.39Å; V120-V152 HydrophobicContact CG2-CB 4.43Å; L121-V152 PolarHBondContact N-O 2.84Å; L150-V152 HydrophobicContact CD1-CG2 4.5Å; L150-V152 HydrophobicContact CD2-CG2 4.32Å; L150-V152 HydrophobicContact CG-CG2 4Å; V152-F154 HydrophobicContact CG1-CD2 4.4Å; V152-F154 PolarHBondContact O-N 3.16Å
153C98.6Very high96.9Very high0 Ų047.4 Ų47.40%023%0.225CC..EExtended strand (participates in β ladder)trans-78109.8174.6-68.90000109.8V75 Y76 A77 F78 L121 Y156 F215V75-C153 WeakPolarHBondContact O-CB 3.38Å; V75-C153 PolarHBondContact O-N 3.23Å; Y76-C153 HydrophobicContact CD2-CB 4.07Å; A77-C153 PolarHBondContact N-O 3.14Å; F78-C153 PolarHBondContact N-O 3.39Å; F78-C153 VanDerWaalsContact N-O 3.15Å; L121-C153 CarbonylContact O-C 3.41Å; L121-C153 VanDerWaalsContact O-CA 3.25Å; L121-C153 WeakPolarHBondContact O-CA 3.25Å; C153-Y156 HydrophobicContact CB-CD1 3.91Å; C153-Y156 HydrophobicContact CB-CD2 4.3Å; C153-Y156 HydrophobicContact CB-CG 3.73Å; C153-F215 HydrophobicContact CB-CE2 3.79Å
154F97.8Very high97.1Very high12 Ų1243 Ų435%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-135.3131.2-172.5-151.5-77000110.2A77 F78 L94 A97 V120 L121 G122 L127 L131 V152 Y156A77-F154 HydrophobicContact CB-CD2 3.84Å; A77-F154 HydrophobicContact CB-CE2 4.37Å; F78-F154 HydrophobicContact CB-CD1 3.89Å; F78-F154 HydrophobicContact CB-CD2 3.77Å; F78-F154 HydrophobicContact CB-CE1 3.8Å; F78-F154 HydrophobicContact CB-CE2 3.69Å; F78-F154 HydrophobicContact CB-CG 3.87Å; F78-F154 HydrophobicContact CB-CZ 3.7Å; F78-F154 HydrophobicContact CD1-CD1 4.43Å; F78-F154 HydrophobicContact CD1-CE1 4.14Å; F78-F154 HydrophobicContact CD2-CZ 4.38Å; F78-F154 HydrophobicContact CG-CD1 4.4Å; F78-F154 AromaticContact CG-CE1 3.98Å; F78-F154 HydrophobicContact CG-CE1 3.98Å; F78-F154 HydrophobicContact CG-CE2 4.48Å; F78-F154 HydrophobicContact CG-CZ 4.02Å; F78-F154 CarbonylContact O-C 3.52Å; L94-F154 HydrophobicContact CD2-CE1 3.89Å; L94-F154 HydrophobicContact CD2-CZ 4.22Å; A97-F154 HydrophobicContact CB-CE2 3.65Å; A97-F154 HydrophobicContact CB-CZ 3.53Å; V120-F154 HydrophobicContact CG1-CB 3.82Å; L121-F154 PolarHBondContact O-N 3.12Å; G122-F154 WeakPolarHBondContact CA-O 3.42Å; L127-F154 HydrophobicContact CD1-CD1 3.87Å; L127-F154 HydrophobicContact CD1-CE1 4.31Å; L127-F154 HydrophobicContact CD2-CD1 3.78Å; L127-F154 HydrophobicContact CD2-CE1 3.67Å; L127-F154 HydrophobicContact CG-CD1 4.47Å; L131-F154 HydrophobicContact CD2-CE1 4.35Å; V152-F154 HydrophobicContact CG1-CD2 4.4Å; V152-F154 PolarHBondContact O-N 3.16Å; F154-Y156 PolarHBondContact O-N 2.57Å
155A97.5Very high97.3Very high0 Ų036.4 Ų36.40%017%0.172CC..EExtended strand (participates in β ladder)trans49.546.2-162.700000111.4F78 I80 F83 D123 M126 L127F78-A155 PolarHBondContact O-N 2.89Å; I80-A155 VanDerWaalsContact CG1-C 3.47Å; I80-A155 VanDerWaalsContact CG1-O 3.27Å; I80-A155 WeakPolarHBondContact CG1-O 3.3Å; F83-A155 HydrophobicContact CE2-CB 4.07Å; F83-A155 HydrophobicContact CZ-CB 4.38Å; D123-A155 PolarHBondContact N-O 3.49Å; D123-A155 WeakPolarHBondContact O-CB 3.4Å; M126-A155 HydrophobicContact CB-CB 4.47Å; L127-A155 HydrophobicContact CD2-CB 4Å; L127-A155 HydrophobicContact CG-CB 4.31Å
156Y98.6Very high97.5Very high1 Ų138.3 Ų38.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-115.8141.5-170.5174.6-85.6000112.5Y76 F78 S79 I80 C153 F154 S158 E161 Y193 F215 L216Y76-Y156 HydrophobicContact CD2-CD1 4.37Å; Y76-Y156 AromaticContact CE2-CD1 3.77Å; Y76-Y156 HydrophobicContact CE2-CD1 3.77Å; Y76-Y156 HydrophobicContact CE2-CG 4.48Å; Y76-Y156 VanDerWaalsContact CE2-O 3.3Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.29Å; Y76-Y156 PolarHBondContact OH-O 3.32Å; F78-Y156 PolarHBondContact O-N 3.31Å; F78-Y156 VanDerWaalsContact O-N 3.14Å; S79-Y156 WeakPolarHBondContact CA-O 3.48Å; I80-Y156 PolarHBondContact N-O 2.9Å; C153-Y156 HydrophobicContact CB-CD1 3.91Å; C153-Y156 HydrophobicContact CB-CD2 4.3Å; C153-Y156 HydrophobicContact CB-CG 3.73Å; F154-Y156 PolarHBondContact O-N 2.57Å; Y156-S158 WeakPolarHBondContact OH-CA 3.47Å; Y156-E161 HydrophobicContact CE2-CB 3.88Å; Y156-E161 HydrophobicContact CE2-CG 4.26Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.37Å; Y156-E161 PolarHBondContact OH-OE2 2.82Å; Y156-Y193 HydrophobicContact CD2-CD2 4.06Å; Y156-Y193 HydrophobicContact CD2-CE2 4.46Å; Y156-Y193 HydrophobicContact CE2-CD2 4.04Å; Y156-F215 AromaticContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CE2 4.39Å; Y156-F215 AromaticContact CE1-CD2 3.72Å; Y156-F215 HydrophobicContact CE1-CD2 3.72Å; Y156-F215 HydrophobicContact CE1-CE2 4.25Å; Y156-L216 PolarHBondContact OH-N 2.75Å
157T98.6Very high97.8Very high11 Ų1138.3 Ų38.37%0.06718%0.176CC..  trans-144149.3157.456.10000108.4I80 E81 Y160 E161 D214I80-T157 HydrophobicContact CB-CG2 3.86Å; I80-T157 HydrophobicContact CD1-CG2 4.38Å; I80-T157 HydrophobicContact CG1-CG2 4.16Å; E81-T157 HydrophobicContact CG-CG2 4.46Å; T157-Y160 PolarHBondContact O-N 2.65Å; T157-Y160 WeakPolarHBondContact OG1-CB 3.08Å; T157-Y160 PolarHBondContact OG1-N 3.48Å; T157-E161 PolarHBondContact O-N 3.45Å; T157-D214 CarbonylContact C-O 3.6Å; T157-D214 WeakPolarHBondContact CA-O 3.48Å; T157-D214 HydrophobicContact CG2-CB 4.49Å
158S98.7Very high98.1Very high0 Ų033.4 Ų33.40%016%0.155CC..Hα-helixtrans-67.5-39.1-177.4-173.40000111.9Y156 Y160 E161 I162 D214 L217Y156-S158 WeakPolarHBondContact OH-CA 3.47Å; S158-Y160 VanDerWaalsContact C-N 3.29Å; S158-Y160 PolarHBondContact O-N 2.96Å; S158-E161 PolarHBondContact O-N 3.46Å; S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.81Å; S158-D214 WeakPolarHBondContact CA-OD1 3.29Å; S158-D214 VanDerWaalsContact CB-OD1 3.29Å; S158-D214 WeakPolarHBondContact CB-OD1 3.35Å; S158-D214 PolarHBondContact N-O 3.41Å; S158-D214 PolarHBondContact N-OD1 3.48Å; S158-L217 WeakPolarHBondContact OG-CB 3.36Å; S158-L217 PolarHBondContact OG-N 3.45Å
159R98.6Very high98.3Very high177 Ų17732.3 Ų32.367%0.66815%0.148SC*.Hα-helixtrans-58.8-40.7173-73.5-179.9175.1-174-2.4112.5T163 D214R159-T163 WeakPolarHBondContact O-CB 3.41Å; R159-T163 PolarHBondContact O-N 3.36Å; R159-T163 PolarHBondContact O-OG1 3.4Å; R159-D214 WeakPolarHBondContact CD-OD2 3.42Å; R159-D214 WeakPolarHBondContact CG-OD2 3.4Å; R159-D214 PolarHBondContact N-OD1 2.92Å
160Y98.3Very high98.4Very high63 Ų6332.2 Ų32.225%0.24716%0.156CC..Hα-helixtrans-67.8-43.6176.7-167.2-88.8000111.6I80 D123 T157 S158 I162 T163 N164 Y193I80-Y160 HydrophobicContact CD1-CD1 4.22Å; I80-Y160 HydrophobicContact CD1-CD2 4.08Å; I80-Y160 HydrophobicContact CD1-CG 3.75Å; D123-Y160 HydrophobicContact CB-CD1 4.05Å; D123-Y160 HydrophobicContact CB-CE1 3.49Å; D123-Y160 VanDerWaalsContact CB-CE1 3.49Å; D123-Y160 WeakPolarHBondContact OD2-CE1 3.46Å; D123-Y160 PolarHBondContact OD2-OH 3.42Å; T157-Y160 PolarHBondContact O-N 2.65Å; T157-Y160 WeakPolarHBondContact OG1-CB 3.08Å; T157-Y160 PolarHBondContact OG1-N 3.48Å; S158-Y160 VanDerWaalsContact C-N 3.29Å; S158-Y160 PolarHBondContact O-N 2.96Å; Y160-I162 PolarHBondContact O-N 3.07Å; Y160-T163 PolarHBondContact O-N 2.83Å; Y160-N164 WeakPolarHBondContact O-CB 3.25Å; Y160-N164 PolarHBondContact O-N 3.04Å; Y160-Y193 WeakPolarHBondContact CE1-OH 3.36Å
161E98.7Very high98.4Very high0 Ų035.1 Ų35.10%017%0.166CC..Hα-helixtrans-57.5-47.9175179.3-178.3-142.700112Y156 T157 S158 T163 N164 A165 L192 Y193 S194 Q219Y156-E161 HydrophobicContact CE2-CB 3.88Å; Y156-E161 HydrophobicContact CE2-CG 4.26Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.37Å; Y156-E161 PolarHBondContact OH-OE2 2.82Å; T157-E161 PolarHBondContact O-N 3.45Å; S158-E161 PolarHBondContact O-N 3.46Å; E161-T163 VanDerWaalsContact C-N 3.34Å; E161-T163 PolarHBondContact O-N 3.03Å; E161-N164 WeakPolarHBondContact O-CB 3.48Å; E161-N164 PolarHBondContact O-N 3.47Å; E161-A165 PolarHBondContact O-N 2.85Å; E161-L192 HydrophobicContact CG-CB 4.29Å; E161-L192 HydrophobicContact CG-CD2 3.69Å; E161-Y193 HydrophobicContact CB-CD2 3.75Å; E161-Y193 HydrophobicContact CB-CE2 3.71Å; E161-Y193 HydrophobicContact CG-CD2 3.49Å; E161-Y193 VanDerWaalsContact CG-CD2 3.49Å; E161-Y193 HydrophobicContact CG-CE2 3.9Å; E161-Y193 HydrophobicContact CG-CG 3.97Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.5Å; E161-Y193 VanDerWaalsContact OE1-CB 3.31Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.42Å; E161-Y193 PolarHBondContact OE1-N 2.89Å; E161-S194 PolarHBondContact OE1-N 3.38Å; E161-Q219 VanDerWaalsContact CD-NE2 3.35Å; E161-Q219 PolarHBondContact OE1-NE2 3.17Å; E161-Q219 PolarHBondContact OE2-NE2 3.37Å
162I98.8Very high98.4Very high45 Ų4535 Ų3523%0.23117%0.166CC..Hα-helixtrans-62-44.3177.8-66.9163.2000110.3S158 Y160 N164 A165 V166 L192 W218S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.81Å; Y160-I162 PolarHBondContact O-N 3.07Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 3.1Å; I162-A165 PolarHBondContact O-N 3.41Å; I162-V166 WeakPolarHBondContact O-CG2 3.38Å; I162-V166 PolarHBondContact O-N 3.21Å; I162-L192 HydrophobicContact CG1-CD2 4.35Å; I162-W218 HydrophobicContact CD1-CB 4.37Å; I162-W218 HydrophobicContact CG1-CB 4.5Å
163T98.6Very high98.4Very high63 Ų6337.5 Ų37.539%0.38718%0.181SC..Hα-helixtrans-61.4-41176.9-54.40000110.9R159 Y160 E161 V166 R167R159-T163 WeakPolarHBondContact O-CB 3.41Å; R159-T163 PolarHBondContact O-N 3.36Å; R159-T163 PolarHBondContact O-OG1 3.4Å; Y160-T163 PolarHBondContact O-N 2.83Å; E161-T163 VanDerWaalsContact C-N 3.34Å; E161-T163 PolarHBondContact O-N 3.03Å; T163-V166 PolarHBondContact O-N 3.27Å; T163-R167 WeakPolarHBondContact O-CG 3.39Å; T163-R167 PolarHBondContact O-N 3.28Å
164N98.4Very high98.4Very high27 Ų2745 Ų4514%0.14422%0.215CC..Hα-helixtrans-64.1-45.4175.9-171.579.6000111.7Y160 E161 I162 V166 R167 E168 Y193Y160-N164 WeakPolarHBondContact O-CB 3.25Å; Y160-N164 PolarHBondContact O-N 3.04Å; E161-N164 WeakPolarHBondContact O-CB 3.48Å; E161-N164 PolarHBondContact O-N 3.47Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 3.1Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.3Å; N164-R167 WeakPolarHBondContact O-CA 3.13Å; N164-R167 WeakPolarHBondContact O-CB 3.27Å; N164-R167 PolarHBondContact O-N 2.89Å; N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 2.83Å; N164-Y193 HydrophobicContact CB-CE1 4.32Å; N164-Y193 WeakPolarHBondContact CB-OH 3.31Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.37Å
165A98.6Very high98.3Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-56.6-42.6176.600000111.9E161 I162 E168 M169 L188 C191 L192E161-A165 PolarHBondContact O-N 2.85Å; I162-A165 PolarHBondContact O-N 3.41Å; A165-E168 PolarHBondContact O-N 2.96Å; A165-M169 PolarHBondContact O-N 3.05Å; A165-M169 VanDerWaalsContact O-N 3.11Å; A165-L188 HydrophobicContact CB-CD2 4.22Å; A165-L188 HydrophobicContact CB-CG 4.29Å; A165-C191 HydrophobicContact CB-CB 3.73Å; A165-C191 WeakPolarHBondContact CB-O 3.3Å; A165-L192 HydrophobicContact CB-CD2 4.01Å
166V98.6Very high98.3Very high72 Ų7252.9 Ų52.944%0.43627%0.27SS..Hα-helixtrans-64.3-41.2174.21750000111.9I162 T163 N164 E168 M169 A170 L188I162-V166 WeakPolarHBondContact O-CG2 3.38Å; I162-V166 PolarHBondContact O-N 3.21Å; T163-V166 PolarHBondContact O-N 3.27Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.3Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 2.86Å; V166-M169 HydrophobicContact CG2-CE 4.17Å; V166-M169 PolarHBondContact O-N 3.42Å; V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.2Å; V166-L188 HydrophobicContact CG2-CD1 4.18Å
167R98.4Very high98.2Very high122 Ų12255.3 Ų55.346%0.4628%0.282SS..Hα-helixtrans-62.9-38.4174.9-70.9178.6-160.5137.1-0.2112.5T163 N164 A170 W171T163-R167 WeakPolarHBondContact O-CG 3.39Å; T163-R167 PolarHBondContact O-N 3.28Å; N164-R167 WeakPolarHBondContact O-CA 3.13Å; N164-R167 WeakPolarHBondContact O-CB 3.27Å; N164-R167 PolarHBondContact O-N 2.89Å; R167-A170 PolarHBondContact O-N 2.79Å; R167-W171 WeakPolarHBondContact O-CB 3.49Å; R167-W171 PolarHBondContact O-N 3.08Å
168E98.2Very high98.2Very high20 Ų2055 Ų559%0.09328%0.28CS..Hα-helixtrans-64.9-41.3176.8-67-61.3168.600111.4N164 A165 V166 W171 G172 F313 L317 K320N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 2.83Å; A165-E168 PolarHBondContact O-N 2.96Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 2.86Å; E168-W171 WeakPolarHBondContact O-CB 3.43Å; E168-W171 PolarHBondContact O-N 2.91Å; E168-G172 PolarHBondContact O-N 3.01Å; E168-F313 WeakPolarHBondContact O-CE2 3.5Å; E168-F313 WeakPolarHBondContact O-CZ 3.44Å; E168-L317 HydrophobicContact CB-CD1 4.03Å; E168-L317 HydrophobicContact CB-CD2 4.37Å; E168-L317 HydrophobicContact CG-CD1 3.84Å; E168-L317 VanDerWaalsContact OE2-CD1 3.3Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.37Å; E168-K320 IonicContact OE1-NZ 2.72Å; E168-K320 PolarHBondContact OE1-NZ 3.29Å; E168-K320 IonicContact OE2-NZ 2.66Å; E168-K320 PolarHBondContact OE2-NZ 3.21Å
169M98.4Very high98.1Very high7 Ų759.9 Ų59.93%0.03430%0.302CS..Hα-helixtrans-65-42.3172.6-66.7-174.3-67.400111.9A165 V166 W171 G172 V173 I178 V183 L187 L188 C191 F313A165-M169 PolarHBondContact O-N 3.05Å; A165-M169 VanDerWaalsContact O-N 3.11Å; V166-M169 HydrophobicContact CG2-CE 4.17Å; V166-M169 PolarHBondContact O-N 3.42Å; M169-W171 VanDerWaalsContact C-N 3.32Å; M169-W171 PolarHBondContact O-N 3.34Å; M169-G172 WeakPolarHBondContact O-CA 3.42Å; M169-G172 PolarHBondContact O-N 2.85Å; M169-V173 WeakPolarHBondContact O-CG2 3.46Å; M169-V173 PolarHBondContact O-N 2.88Å; M169-I178 HydrophobicContact CB-CD1 4.31Å; M169-V183 HydrophobicContact CE-CG1 4.08Å; M169-V183 HydrophobicContact SD-CG1 3.95Å; M169-V183 HydrophobicContact SD-CG2 4.42Å; M169-L187 HydrophobicContact CG-CD2 4.31Å; M169-L187 HydrophobicContact CG-CG 4.25Å; M169-L187 HydrophobicContact SD-CB 4.23Å; M169-L187 HydrophobicContact SD-CD2 4.01Å; M169-L187 HydrophobicContact SD-CG 3.8Å; M169-L188 HydrophobicContact CE-CB 3.97Å; M169-L188 HydrophobicContact CE-CD1 4.09Å; M169-L188 HydrophobicContact CE-CG 3.96Å; M169-L188 HydrophobicContact SD-CB 4.39Å; M169-C191 HydrophobicContact CG-CB 4.43Å; M169-F313 HydrophobicContact CG-CZ 4.41Å
170A98.5Very high97.9Very high46 Ų4655.1 Ų55.138%0.3830%0.3SS..Hα-helixtrans-60.2-42.917600000111.7V166 R167 G172 V173 E174V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.2Å; R167-A170 PolarHBondContact O-N 2.79Å; A170-G172 VanDerWaalsContact C-N 3.33Å; A170-G172 PolarHBondContact O-N 2.89Å; A170-V173 PolarHBondContact O-N 3.25Å; A170-E174 WeakPolarHBondContact O-CG 3.47Å; A170-E174 PolarHBondContact O-N 3.03Å
171W98.3Very high97.6Very high65 Ų6554.4 Ų54.425%0.24630%0.304CS..Hα-helixtrans-58-45170.8166.576.7000111.4R167 E168 M169 V173 E174 Q175 L177 F313 A316R167-W171 WeakPolarHBondContact O-CB 3.49Å; R167-W171 PolarHBondContact O-N 3.08Å; E168-W171 WeakPolarHBondContact O-CB 3.43Å; E168-W171 PolarHBondContact O-N 2.91Å; M169-W171 VanDerWaalsContact C-N 3.32Å; M169-W171 PolarHBondContact O-N 3.34Å; W171-V173 VanDerWaalsContact C-N 3.28Å; W171-V173 PolarHBondContact O-N 3.36Å; W171-E174 PolarHBondContact O-N 3.12Å; W171-Q175 HydrophobicContact CD2-CG 4.24Å; W171-Q175 HydrophobicContact CG-CG 4.35Å; W171-Q175 HydrophobicContact CZ2-CG 4.03Å; W171-Q175 VanDerWaalsContact NE1-CG 3.34Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.49Å; W171-Q175 PolarHBondContact O-N 3.44Å; W171-L177 HydrophobicContact CH2-CD1 3.86Å; W171-L177 HydrophobicContact CZ2-CD1 4.41Å; W171-L177 HydrophobicContact CZ3-CD1 4.14Å; W171-F313 HydrophobicContact CE3-CD2 4.48Å; W171-F313 AromaticContact CE3-CE2 3.83Å; W171-F313 HydrophobicContact CE3-CE2 3.83Å; W171-F313 HydrophobicContact CZ3-CD2 4.12Å; W171-F313 AromaticContact CZ3-CE2 3.81Å; W171-F313 HydrophobicContact CZ3-CE2 3.81Å; W171-A316 HydrophobicContact CH2-CB 4.11Å
172G98.2Very high97.5Very high0 Ų054.5 Ų54.50%030%0.304CS..Hα-helixtrans-57.5-38.4175.200000113.5E168 M169 A170 G176 L177 I178E168-G172 PolarHBondContact O-N 3.01Å; M169-G172 WeakPolarHBondContact O-CA 3.42Å; M169-G172 PolarHBondContact O-N 2.85Å; A170-G172 VanDerWaalsContact C-N 3.33Å; A170-G172 PolarHBondContact O-N 2.89Å; G172-G176 PolarHBondContact O-N 2.51Å; G172-L177 PolarHBondContact O-N 2.84Å; G172-I178 PolarHBondContact O-N 2.96Å
173V98.1Very high97.3Very high56 Ų5655.8 Ų55.834%0.33931%0.314SS..Hα-helixtrans-68.6-45.7174.5175.60000111.4M169 A170 W171 Q175 G176 I178M169-V173 WeakPolarHBondContact O-CG2 3.46Å; M169-V173 PolarHBondContact O-N 2.88Å; A170-V173 PolarHBondContact O-N 3.25Å; W171-V173 VanDerWaalsContact C-N 3.28Å; W171-V173 PolarHBondContact O-N 3.36Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.48Å; V173-G176 PolarHBondContact O-N 3.19Å; V173-I178 WeakPolarHBondContact CA-O 3.36Å; V173-I178 HydrophobicContact CG2-CD1 4.17Å; V173-I178 HydrophobicContact CG2-CG1 3.95Å
174E97.8Very high97.2Very high157 Ų15754.2 Ų54.273%0.73431%0.306SS*.Hα-helixtrans-62.2-35.5178.3-73.3177.317800112.7A170 W171 G176A170-E174 WeakPolarHBondContact O-CG 3.47Å; A170-E174 PolarHBondContact O-N 3.03Å; W171-E174 PolarHBondContact O-N 3.12Å; E174-G176 PolarHBondContact O-N 3.41Å
175Q96.9Very high97.1Very high116 Ų11656 Ų5654%0.54231%0.313SS..THydrogen-bonded Turntrans-79.3-4.7175.1-62.5-52.5-6500113.4W171 V173 L177W171-Q175 HydrophobicContact CD2-CG 4.24Å; W171-Q175 HydrophobicContact CG-CG 4.35Å; W171-Q175 HydrophobicContact CZ2-CG 4.03Å; W171-Q175 VanDerWaalsContact NE1-CG 3.34Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.49Å; W171-Q175 PolarHBondContact O-N 3.44Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.48Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.05Å; Q175-L177 HydrophobicContact CB-CG 3.93Å; Q175-L177 PolarHBondContact O-N 2.96Å
176G96.9Very high96.9Very high63 Ų6358.6 Ų58.665%0.64934%0.335SS*.THydrogen-bonded Turntrans70.117.1-177.400000114.7G172 V173 E174G172-G176 PolarHBondContact O-N 2.51Å; V173-G176 PolarHBondContact O-N 3.19Å; E174-G176 PolarHBondContact O-N 3.41Å
177L97.4Very high96.9Very high51 Ų5155.4 Ų55.427%0.26732%0.315SS..SBendtrans-75.9-36.6178.2-61.7172.1000111.4W171 G172 Q175 F313 A316W171-L177 HydrophobicContact CH2-CD1 3.86Å; W171-L177 HydrophobicContact CZ2-CD1 4.41Å; W171-L177 HydrophobicContact CZ3-CD1 4.14Å; G172-L177 PolarHBondContact O-N 2.84Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.05Å; Q175-L177 HydrophobicContact CB-CG 3.93Å; Q175-L177 PolarHBondContact O-N 2.96Å; L177-F313 HydrophobicContact CB-CB 4.04Å; L177-F313 HydrophobicContact CB-CD2 4.29Å; L177-F313 HydrophobicContact CD1-CD2 4.21Å; L177-A316 HydrophobicContact CD1-CB 3.88Å
178I97.8Very high96.8Very high5 Ų550.6 Ų50.63%0.02630%0.298CS..SBendtrans-131.2162.8175.252.3169.3000110.5M169 G172 V173 D182 L187 R309 F313M169-I178 HydrophobicContact CB-CD1 4.31Å; G172-I178 PolarHBondContact O-N 2.96Å; V173-I178 WeakPolarHBondContact CA-O 3.36Å; V173-I178 HydrophobicContact CG2-CD1 4.17Å; V173-I178 HydrophobicContact CG2-CG1 3.95Å; I178-D182 HydrophobicContact CB-CB 4.26Å; I178-L187 HydrophobicContact CD1-CD2 3.88Å; I178-R309 HydrophobicContact CG2-CB 4.46Å; I178-F313 HydrophobicContact CD1-CD1 4.32Å; I178-F313 HydrophobicContact CD1-CD2 4.42Å; I178-F313 HydrophobicContact CD1-CE1 4.36Å; I178-F313 HydrophobicContact CD1-CE2 4.47Å; I178-F313 HydrophobicContact CD1-CG 4.34Å; I178-F313 HydrophobicContact CD1-CZ 4.43Å; I178-F313 HydrophobicContact CG1-CD2 4.44Å; I178-F313 HydrophobicContact CG1-CG 4.44Å; I178-F313 HydrophobicContact CG2-CB 3.55Å; I178-F313 HydrophobicContact CG2-CD1 4.25Å; I178-F313 HydrophobicContact CG2-CG 3.91Å
179K96Very high96.8Very high103 Ų10351 Ų5145%0.44830%0.304SS..  trans-96.4157.6171.1-60.2176.1-176.5173.70110.1S181 D182K179-S181 WeakPolarHBondContact CB-OG 3.38Å; K179-S181 PolarHBondContact O-N 3.19Å; K179-D182 WeakPolarHBondContact CB-OD2 3.37Å; K179-D182 PolarHBondContact N-OD2 3.38Å; K179-D182 WeakPolarHBondContact O-CB 3.38Å; K179-D182 PolarHBondContact O-N 3.22Å
180A95.3Very high96.8Very high76 Ų7655 Ų5563%0.62832%0.323SS*.G310 helixtrans-56.9-31.8171.900000112.5D182 V183A180-D182 PolarHBondContact O-N 3.33Å; A180-V183 WeakPolarHBondContact O-CB 3.25Å; A180-V183 PolarHBondContact O-N 3.49Å
181S93Very high96.8Very high48 Ų4852.9 Ų52.934%0.33631%0.305SS..G310 helixtrans-69.1-15.8174.456.50000114.5K179 V183 Y302K179-S181 WeakPolarHBondContact CB-OG 3.38Å; K179-S181 PolarHBondContact O-N 3.19Å; S181-V183 VanDerWaalsContact C-N 3.32Å; S181-Y302 PolarHBondContact OG-OH 3.01Å
182D95.3Very high96.8Very high2 Ų249.9 Ų49.91%0.01129%0.294CS..G310 helixtrans-86.3-9179.8-54.7-25000111.5I178 K179 A180 S184 L187 R306 R309 V310I178-D182 HydrophobicContact CB-CB 4.26Å; K179-D182 WeakPolarHBondContact CB-OD2 3.37Å; K179-D182 PolarHBondContact N-OD2 3.38Å; K179-D182 WeakPolarHBondContact O-CB 3.38Å; K179-D182 PolarHBondContact O-N 3.22Å; A180-D182 PolarHBondContact O-N 3.33Å; D182-S184 PolarHBondContact O-N 3.43Å; D182-L187 WeakPolarHBondContact O-CD2 3.45Å; D182-R306 HydrophobicContact CB-CG 4.29Å; D182-R309 IonicContact OD1-CZ 3.67Å; D182-R309 IonicContact OD1-NE 3.73Å; D182-R309 IonicContact OD1-NH2 2.77Å; D182-R309 PolarHBondContact OD1-NH2 3.04Å; D182-R309 IonicContact OD2-CZ 3.49Å; D182-R309 IonicContact OD2-NE 2.78Å; D182-R309 PolarHBondContact OD2-NE 3.42Å; D182-R309 IonicContact OD2-NH2 3.36Å; D182-R309 PolarHBondContact OD2-NH2 3.32Å; D182-V310 HydrophobicContact CB-CG2 4.4Å
183V95.9Very high96.8Very high72 Ų7251.7 Ų51.744%0.43630%0.301SS..  trans-69.6123.4178.3177.10000110.2M169 A180 S181M169-V183 HydrophobicContact CE-CG1 4.08Å; M169-V183 HydrophobicContact SD-CG1 3.95Å; M169-V183 HydrophobicContact SD-CG2 4.42Å; A180-V183 WeakPolarHBondContact O-CB 3.25Å; A180-V183 PolarHBondContact O-N 3.49Å; S181-V183 VanDerWaalsContact C-N 3.32Å
184S95.7Very high96.7Very high31 Ų3149.5 Ų49.522%0.21729%0.288CS..  trans-145.5169.5179.670.10000111.5D182 A186 L187 L188D182-S184 PolarHBondContact O-N 3.43Å; S184-A186 PolarHBondContact O-N 3.37Å; S184-A186 PolarHBondContact OG-N 3.15Å; S184-L187 PolarHBondContact O-N 3.33Å; S184-L187 PolarHBondContact OG-N 3.42Å; S184-L188 PolarHBondContact O-N 3.23Å
185E95.7Very high96.6Very high64 Ų6443.3 Ų43.330%0.29926%0.262SS..Hα-helixtrans-58.4-38173.2-166.2-173.8154.900111.7L188 S189 W218 H261 Q265E185-L188 PolarHBondContact O-N 3.11Å; E185-S189 PolarHBondContact O-N 3.47Å; E185-S189 VanDerWaalsContact O-N 3.07Å; E185-S189 PolarHBondContact O-OG 3.08Å; E185-W218 HydrophobicContact CB-CH2 4.47Å; E185-W218 HydrophobicContact CB-CZ2 4.36Å; E185-W218 HydrophobicContact CG-CH2 3.53Å; E185-W218 HydrophobicContact CG-CZ2 3.28Å; E185-H261 IonicContact OE1-CE1 3Å; E185-H261 PolarHBondContact OE1-CE1 3.37Å; E185-H261 IonicContact OE1-NE2 3.37Å; E185-H261 PolarHBondContact OE1-NE2 3.03Å; E185-H261 IonicContact OE2-CE1 3.35Å; E185-H261 IonicContact OE2-NE2 3.69Å; E185-H261 PolarHBondContact OE2-NE2 3.18Å; E185-Q265 PolarHBondContact OE1-NE2 3.41Å; E185-Q265 PolarHBondContact OE2-NE2 2.96Å
186A95Very high96.6Very high54 Ų5443 Ų4345%0.44626%0.263SS..Hα-helixtrans-63.7-48.3176.100000111.1S184 L188 S189 E190S184-A186 PolarHBondContact O-N 3.37Å; S184-A186 PolarHBondContact OG-N 3.15Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 3.45Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.9Å; A186-E190 PolarHBondContact O-N 2.95Å
187L97.3Very high96.5Very high6 Ų640.6 Ų40.63%0.03124%0.237CC..Hα-helixtrans-63.8-39.4178.5-174.457.4000112.3M169 I178 D182 S184 S189 E190 C191 V310 F313 L314M169-L187 HydrophobicContact CG-CD2 4.31Å; M169-L187 HydrophobicContact CG-CG 4.25Å; M169-L187 HydrophobicContact SD-CB 4.23Å; M169-L187 HydrophobicContact SD-CD2 4.01Å; M169-L187 HydrophobicContact SD-CG 3.8Å; I178-L187 HydrophobicContact CD1-CD2 3.88Å; D182-L187 WeakPolarHBondContact O-CD2 3.45Å; S184-L187 PolarHBondContact O-N 3.33Å; S184-L187 PolarHBondContact OG-N 3.42Å; L187-S189 VanDerWaalsContact C-N 3.29Å; L187-S189 PolarHBondContact O-N 3.32Å; L187-E190 PolarHBondContact O-N 3.22Å; L187-C191 PolarHBondContact O-N 2.99Å; L187-C191 VanDerWaalsContact O-N 3.16Å; L187-C191 PolarHBondContact O-SG 3.27Å; L187-V310 HydrophobicContact CD1-CG1 3.86Å; L187-V310 HydrophobicContact CD2-CG2 4.5Å; L187-F313 HydrophobicContact CD1-CD1 3.97Å; L187-F313 HydrophobicContact CD1-CE1 3.94Å; L187-F313 HydrophobicContact CG-CE1 4.48Å; L187-L314 HydrophobicContact CD1-CD2 4.05Å; L187-L314 HydrophobicContact CD1-CG 4.43Å
188L98.3Very high96.5Very high20 Ų2041.9 Ų41.911%0.10525%0.248CC..Hα-helixtrans-58.6-44.3175-166.5156.3000110.8A165 V166 M169 S184 E185 A186 E190 C191 L192 W218A165-L188 HydrophobicContact CB-CD2 4.22Å; A165-L188 HydrophobicContact CB-CG 4.29Å; V166-L188 HydrophobicContact CG2-CD1 4.18Å; M169-L188 HydrophobicContact CE-CB 3.97Å; M169-L188 HydrophobicContact CE-CD1 4.09Å; M169-L188 HydrophobicContact CE-CG 3.96Å; M169-L188 HydrophobicContact SD-CB 4.39Å; S184-L188 PolarHBondContact O-N 3.23Å; E185-L188 PolarHBondContact O-N 3.11Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 3.45Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.02Å; L188-C191 CarbonylContact O-C 3.51Å; L188-C191 WeakPolarHBondContact O-CA 3.5Å; L188-C191 WeakPolarHBondContact O-CB 3.48Å; L188-C191 PolarHBondContact O-N 3.41Å; L188-L192 HydrophobicContact CD2-CD2 3.88Å; L188-L192 HydrophobicContact CD2-CG 4.2Å; L188-L192 PolarHBondContact O-N 3.46Å; L188-W218 HydrophobicContact CB-CH2 4.16Å; L188-W218 HydrophobicContact CB-CZ2 4.11Å; L188-W218 HydrophobicContact CD1-CH2 3.79Å; L188-W218 HydrophobicContact CD1-CZ2 4.47Å; L188-W218 HydrophobicContact CD1-CZ3 3.98Å; L188-W218 HydrophobicContact CD2-CD2 3.96Å; L188-W218 HydrophobicContact CD2-CE3 3.97Å; L188-W218 HydrophobicContact CD2-CH2 3.69Å; L188-W218 HydrophobicContact CD2-CZ2 3.65Å; L188-W218 HydrophobicContact CD2-CZ3 3.86Å; L188-W218 HydrophobicContact CG-CH2 4.08Å; L188-W218 HydrophobicContact CG-CZ2 4.27Å; L188-W218 HydrophobicContact CG-CZ3 4.49Å
189S97.6Very high96.5Very high30 Ų3045 Ų4521%0.2127%0.265CS..Hα-helixtrans-58.7-39.3178.8-59.10000112.2E185 A186 L187 C191 L192 W218E185-S189 PolarHBondContact O-N 3.47Å; E185-S189 VanDerWaalsContact O-N 3.07Å; E185-S189 PolarHBondContact O-OG 3.08Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.9Å; L187-S189 VanDerWaalsContact C-N 3.29Å; L187-S189 PolarHBondContact O-N 3.32Å; S189-C191 PolarHBondContact O-N 3.03Å; S189-L192 PolarHBondContact O-N 2.78Å; S189-W218 PolarHBondContact OG-NE1 2.95Å
190E97.8Very high96.6Very high91 Ų9140.1 Ų40.143%0.42524%0.244SC..Hα-helixtrans-70-20.4175-63.9-59.5144.200113.3A186 L187 L188 S195 L314A186-E190 PolarHBondContact O-N 2.95Å; L187-E190 PolarHBondContact O-N 3.22Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.02Å; E190-S195 WeakPolarHBondContact O-CB 3.4Å; E190-S195 PolarHBondContact O-OG 3.43Å; E190-L314 HydrophobicContact CB-CD1 4.1Å; E190-L314 HydrophobicContact CB-CD2 3.57Å; E190-L314 HydrophobicContact CG-CD1 4.09Å; E190-L314 HydrophobicContact CG-CD2 4.46Å
191C98.4Very high96.8Very high0 Ų037.1 Ų37.10%022%0.218CC..Hα-helixtrans-92-5.4177.9-63.80000113.9A165 M169 L187 L188 S189 F313 L317 R321A165-C191 HydrophobicContact CB-CB 3.73Å; A165-C191 WeakPolarHBondContact CB-O 3.3Å; M169-C191 HydrophobicContact CG-CB 4.43Å; L187-C191 PolarHBondContact O-N 2.99Å; L187-C191 VanDerWaalsContact O-N 3.16Å; L187-C191 PolarHBondContact O-SG 3.27Å; L188-C191 CarbonylContact O-C 3.51Å; L188-C191 WeakPolarHBondContact O-CA 3.5Å; L188-C191 WeakPolarHBondContact O-CB 3.48Å; L188-C191 PolarHBondContact O-N 3.41Å; S189-C191 PolarHBondContact O-N 3.03Å; C191-F313 VanDerWaalsContact SG-CE1 3.58Å; C191-L317 HydrophobicContact CB-CD2 4.39Å; C191-R321 VanDerWaalsContact C-NH2 3.32Å; C191-R321 PolarHBondContact O-NH2 3.24Å
192L98.5Very high97Very high3 Ų334.9 Ų34.92%0.01620%0.202CC..SBendtrans-67.3163.9172.8-63.6172.7000111E161 I162 A165 L188 S189 S194 S195 W218 Q219 R321E161-L192 HydrophobicContact CG-CB 4.29Å; E161-L192 HydrophobicContact CG-CD2 3.69Å; I162-L192 HydrophobicContact CG1-CD2 4.35Å; A165-L192 HydrophobicContact CB-CD2 4.01Å; L188-L192 HydrophobicContact CD2-CD2 3.88Å; L188-L192 HydrophobicContact CD2-CG 4.2Å; L188-L192 PolarHBondContact O-N 3.46Å; S189-L192 PolarHBondContact O-N 2.78Å; L192-S194 PolarHBondContact O-N 3.5Å; L192-S195 PolarHBondContact O-N 3.31Å; L192-S195 PolarHBondContact O-OG 2.98Å; L192-W218 HydrophobicContact CD1-CB 4.25Å; L192-W218 HydrophobicContact CD1-CG 3.82Å; L192-Q219 HydrophobicContact CD1-CG 4.33Å; L192-R321 PolarHBondContact O-NH1 2.92Å; L192-R321 VanDerWaalsContact O-NH1 3.17Å; L192-R321 PolarHBondContact O-NH2 3.45Å
193Y97.8Very high97.2Very high38 Ų3835 Ų3515%0.14920%0.202CC..THydrogen-bonded Turntrans-66.7-32.6172.6-56.5-44000110.5L121 Y156 Y160 E161 N164 S195L121-Y193 WeakPolarHBondContact CD2-O 3.33Å; Y156-Y193 HydrophobicContact CD2-CD2 4.06Å; Y156-Y193 HydrophobicContact CD2-CE2 4.46Å; Y156-Y193 HydrophobicContact CE2-CD2 4.04Å; Y160-Y193 WeakPolarHBondContact CE1-OH 3.36Å; E161-Y193 HydrophobicContact CB-CD2 3.75Å; E161-Y193 HydrophobicContact CB-CE2 3.71Å; E161-Y193 HydrophobicContact CG-CD2 3.49Å; E161-Y193 VanDerWaalsContact CG-CD2 3.49Å; E161-Y193 HydrophobicContact CG-CE2 3.9Å; E161-Y193 HydrophobicContact CG-CG 3.97Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.5Å; E161-Y193 VanDerWaalsContact OE1-CB 3.31Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.42Å; E161-Y193 PolarHBondContact OE1-N 2.89Å; N164-Y193 HydrophobicContact CB-CE1 4.32Å; N164-Y193 WeakPolarHBondContact CB-OH 3.31Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.37Å; Y193-S195 VanDerWaalsContact C-N 3.26Å; Y193-S195 PolarHBondContact O-N 3.23Å
194S96.9Very high97.3Very high10 Ų1031.5 Ų31.57%0.0718%0.181CC..THydrogen-bonded Turntrans-81.814.7179.369.30000114.9E161 L192 N196 S197 Q219E161-S194 PolarHBondContact OE1-N 3.38Å; L192-S194 PolarHBondContact O-N 3.5Å; S194-N196 PolarHBondContact O-N 3.16Å; S194-N196 VanDerWaalsContact O-N 3.13Å; S194-S197 WeakPolarHBondContact O-CB 3.5Å; S194-S197 PolarHBondContact O-N 3.29Å; S194-Q219 WeakPolarHBondContact OG-CG 3.43Å; S194-Q219 PolarHBondContact OG-NE2 3.35Å
195S96.3Very high97.5Very high26 Ų2630.3 Ų30.318%0.18217%0.172CC..THydrogen-bonded Turntrans-61.5-24.6-173.162.80000114.3E190 L192 Y193 S197 R321E190-S195 WeakPolarHBondContact O-CB 3.4Å; E190-S195 PolarHBondContact O-OG 3.43Å; L192-S195 PolarHBondContact O-N 3.31Å; L192-S195 PolarHBondContact O-OG 2.98Å; Y193-S195 VanDerWaalsContact C-N 3.26Å; Y193-S195 PolarHBondContact O-N 3.23Å; S195-S197 PolarHBondContact O-N 3.5Å; S195-R321 PolarHBondContact OG-NH1 3.11Å; S195-R321 VanDerWaalsContact OG-NH1 3.14Å
196N95Very high97.6Very high109 Ų10927.3 Ų27.358%0.58316%0.158SC*.THydrogen-bonded Turntrans-807.6174.8-65.7-44.6000113.8R119 S194R119-N196 VanDerWaalsContact NH1-C 3.26Å; R119-N196 VanDerWaalsContact NH1-CB 3.33Å; R119-N196 PolarHBondContact NH1-O 3.13Å; R119-N196 PolarHBondContact NH2-O 2.96Å; S194-N196 PolarHBondContact O-N 3.16Å; S194-N196 VanDerWaalsContact O-N 3.13Å
197S96.6Very high97.7Very high14 Ų1425.2 Ų25.210%0.09814%0.14CC..SBendtrans-130.1137.9-174-61.80000110.3E72 R119 N151 S194 S195E72-S197 WeakPolarHBondContact OE1-CB 3.34Å; E72-S197 PolarHBondContact OE1-OG 3.29Å; R119-S197 PolarHBondContact NH1-OG 3.41Å; N151-S197 PolarHBondContact ND2-OG 3.43Å; S194-S197 WeakPolarHBondContact O-CB 3.5Å; S194-S197 PolarHBondContact O-N 3.29Å; S195-S197 PolarHBondContact O-N 3.5Å
198P96.1Very high97.7Very high77 Ų7726.8 Ų26.850%0.516%0.158SC..PPolyproline II helixtrans-61.9153.916529.9-34.6000110.1H28 E72H28-P198 HydrophobicContact CB-CG 4.45Å; H28-P198 PolarHBondContact CE1-O 2.75Å; H28-P198 PolarHBondContact ND1-O 3Å; E72-P198 VanDerWaalsContact OE2-CD 3.29Å; E72-P198 WeakPolarHBondContact OE2-CD 3.46Å
199N97.8Very high97.6Very high70 Ų7028.2 Ų28.237%0.37416%0.164SC..PPolyproline II helixtrans-55.5140.1171.9-75.7-20.4000111.1D201 Q219N199-D201 PolarHBondContact O-N 2.97Å; N199-Q219 WeakPolarHBondContact CB-O 3.47Å; N199-Q219 WeakPolarHBondContact OD1-CA 3.19Å; N199-Q219 WeakPolarHBondContact OD1-CB 3.42Å
200P98.5Very high97.7Very high2 Ų232.3 Ų32.31%0.01319%0.187CC..PPolyproline II helixtrans-54.5140.4178.6-24.432.2000112.3A30 L216 T220 S223 R258A30-P200 HydrophobicContact CB-CB 3.99Å; A30-P200 HydrophobicContact CB-CG 3.91Å; P200-L216 HydrophobicContact CG-CD1 4.01Å; P200-T220 HydrophobicContact CB-CG2 4.27Å; P200-T220 HydrophobicContact CG-CG2 3.97Å; P200-S223 WeakPolarHBondContact O-CB 3.35Å; P200-S223 PolarHBondContact O-OG 3.13Å; P200-R258 PolarHBondContact O-NH2 3.36Å
201D98.6Very high97.7Very high13 Ų1333.9 Ų33.97%0.0719%0.189CC..SBendtrans-78.7-33.1170.3-67.1-51.5000111.3P26 K27 H28 N199 C224 Y247 R258P26-D201 HydrophobicContact CB-CB 3.64Å; K27-D201 WeakPolarHBondContact CA-OD2 3.31Å; K27-D201 PolarHBondContact N-OD2 3.44Å; H28-D201 PolarHBondContact N-OD2 3.42Å; H28-D201 PolarHBondContact O-N 2.85Å; N199-D201 PolarHBondContact O-N 2.97Å; D201-C224 PolarHBondContact O-N 3.48Å; D201-Y247 HydrophobicContact CB-CD2 4.26Å; D201-Y247 HydrophobicContact CB-CE2 3.69Å; D201-R258 IonicContact OD1-CZ 3.01Å; D201-R258 IonicContact OD1-NH1 2.75Å; D201-R258 PolarHBondContact OD1-NH1 3.01Å; D201-R258 IonicContact OD1-NH2 3.6Å
202L98.8Very high97.6Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-141.2125.2-172.8173.760.5000109.6P26 H28 V29 A30 I204 C224 V226 A243 I244P26-L202 HydrophobicContact CB-CB 4.34Å; H28-L202 PolarHBondContact O-N 2.82Å; V29-L202 CarbonylContact C-O 3.54Å; V29-L202 WeakPolarHBondContact CA-O 3.41Å; V29-L202 HydrophobicContact CG1-CB 4.4Å; V29-L202 HydrophobicContact CG1-CD2 4.26Å; V29-L202 HydrophobicContact CG1-CG 4.22Å; V29-L202 HydrophobicContact CG2-CB 4.29Å; V29-L202 HydrophobicContact CG2-CD2 4.31Å; A30-L202 PolarHBondContact N-O 3.11Å; L202-I204 HydrophobicContact CD1-CG1 4.09Å; L202-I204 HydrophobicContact CD2-CD1 3.86Å; L202-I204 HydrophobicContact CD2-CG1 4.12Å; L202-I204 HydrophobicContact CG-CD1 4.09Å; L202-I204 HydrophobicContact CG-CG1 3.8Å; L202-C224 CarbonylContact C-O 3.59Å; L202-C224 WeakPolarHBondContact CA-O 3.46Å; L202-C224 HydrophobicContact CD1-CB 3.91Å; L202-V226 HydrophobicContact CD1-CB 4.13Å; L202-V226 HydrophobicContact CD1-CG2 3.53Å; L202-A243 HydrophobicContact CD2-CB 4.01Å; L202-I244 HydrophobicContact CD2-CG1 4.44Å
203L98.9Very high97.6Very high4 Ų438.2 Ų38.22%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-108.8121.2170177.968.4000109.2A30 I32 L212 F215 T220 C224 L225 V226A30-L203 HydrophobicContact CB-CD1 3.53Å; A30-L203 WeakPolarHBondContact O-CA 3.36Å; I32-L203 HydrophobicContact CD1-CD1 4.48Å; I32-L203 HydrophobicContact CD1-CD2 4.46Å; I32-L203 HydrophobicContact CG1-CD1 4.26Å; L203-L212 HydrophobicContact CD2-CD2 3.51Å; L203-F215 HydrophobicContact CD1-CD1 3.74Å; L203-F215 HydrophobicContact CD1-CE1 3.67Å; L203-T220 HydrophobicContact CB-CG2 4.14Å; L203-T220 HydrophobicContact CD2-CG2 4.11Å; L203-T220 HydrophobicContact CG-CG2 4.49Å; L203-C224 PolarHBondContact N-O 3.4Å; L203-L225 HydrophobicContact CB-CD2 3.9Å; L203-L225 HydrophobicContact CD2-CD2 3.95Å; L203-L225 HydrophobicContact CG-CD2 4.46Å; L203-V226 PolarHBondContact O-N 2.51Å
204I98.9Very high97.6Very high0 Ų038.1 Ų38.10%022%0.219CC..EExtended strand (participates in β ladder)trans-110.5128.9-179.4-56.6174.7000109.1V29 A30 F31 I32 L202 V226 Y235 L240 A243V29-I204 HydrophobicContact CG1-CD1 3.79Å; V29-I204 HydrophobicContact CG1-CG1 4.23Å; A30-I204 PolarHBondContact O-N 2.92Å; F31-I204 CarbonylContact C-O 3.56Å; F31-I204 WeakPolarHBondContact CA-O 3.27Å; F31-I204 HydrophobicContact CD1-CB 3.86Å; F31-I204 HydrophobicContact CD1-CD1 4.2Å; F31-I204 HydrophobicContact CD1-CG2 4.2Å; F31-I204 HydrophobicContact CE1-CB 4.08Å; F31-I204 HydrophobicContact CE1-CD1 3.53Å; F31-I204 HydrophobicContact CE1-CG1 4.31Å; F31-I204 HydrophobicContact CE1-CG2 4.36Å; F31-I204 HydrophobicContact CZ-CD1 3.97Å; I32-I204 PolarHBondContact N-O 3.15Å; L202-I204 HydrophobicContact CD1-CG1 4.09Å; L202-I204 HydrophobicContact CD2-CD1 3.86Å; L202-I204 HydrophobicContact CD2-CG1 4.12Å; L202-I204 HydrophobicContact CG-CD1 4.09Å; L202-I204 HydrophobicContact CG-CG1 3.8Å; I204-V226 CarbonylContact C-O 3.59Å; I204-V226 WeakPolarHBondContact CA-O 3.27Å; I204-V226 HydrophobicContact CG1-CB 4.45Å; I204-Y235 HydrophobicContact CG2-CE2 4.39Å; I204-L240 HydrophobicContact CD1-CD1 4.02Å; I204-A243 HydrophobicContact CD1-CB 3.43Å; I204-A243 VanDerWaalsContact CD1-CB 3.43Å; I204-A243 HydrophobicContact CG1-CB 3.9Å
205R98.8Very high97.7Very high6 Ų637.7 Ų37.72%0.02322%0.215CC..EExtended strand (participates in β ladder)trans-120.3129169176.5166.7-173.8166.4-0.7110.8I32 D34 E209 R211 S213 V226 F227 Q228I32-R205 HydrophobicContact CB-CB 3.97Å; I32-R205 HydrophobicContact CB-CG 3.94Å; I32-R205 HydrophobicContact CD1-CB 4.22Å; I32-R205 HydrophobicContact CD1-CG 4.42Å; I32-R205 HydrophobicContact CG1-CB 4.5Å; I32-R205 HydrophobicContact CG2-CG 4.02Å; D34-R205 IonicContact OD2-CZ 3.62Å; D34-R205 IonicContact OD2-NE 2.82Å; D34-R205 IonicContact OD2-NH2 2.78Å; D34-R205 PolarHBondContact OD2-NH2 2.9Å; R205-E209 WeakPolarHBondContact CD-O 3.5Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.33Å; R205-R211 WeakPolarHBondContact CD-O 3.38Å; R205-R211 PolarHBondContact NH1-O 3.26Å; R205-S213 PolarHBondContact NH1-OG 2.94Å; R205-S213 PolarHBondContact NH2-OG 3.07Å; R205-V226 PolarHBondContact N-O 2.83Å; R205-F227 HydrophobicContact CB-CD1 3.78Å; R205-F227 HydrophobicContact CB-CE1 4.09Å; R205-F227 HydrophobicContact CG-CD1 4.28Å; R205-F227 WeakPolarHBondContact O-CA 3.48Å; R205-Q228 PolarHBondContact O-N 2.79Å
206T98.7Very high97.8Very high1 Ų136.5 Ų36.51%0.00621%0.207CC..  trans-89.3174.9175.446.90000111.8I32 D34 Q228 V230 W232 Y235I32-T206 PolarHBondContact O-N 3.2Å; I32-T206 PolarHBondContact O-OG1 2.72Å; D34-T206 PolarHBondContact N-OG1 3.12Å; D34-T206 VanDerWaalsContact N-OG1 3.07Å; D34-T206 PolarHBondContact O-OG1 3.25Å; D34-T206 VanDerWaalsContact O-OG1 3.09Å; T206-Q228 CarbonylContact C-O 3.24Å; T206-Q228 VanDerWaalsContact C-O 3.24Å; T206-Q228 WeakPolarHBondContact CA-O 3.43Å; T206-V230 VanDerWaalsContact CB-O 3.27Å; T206-V230 WeakPolarHBondContact CB-O 3.48Å; T206-V230 HydrophobicContact CG2-CG1 4.14Å; T206-W232 HydrophobicContact CG2-CE3 3.94Å; T206-Y235 HydrophobicContact CG2-CD2 3.51Å; T206-Y235 HydrophobicContact CG2-CE2 3.72Å; T206-Y235 HydrophobicContact CG2-CG 4.47Å
207S97.3Very high98Very high9 Ų934.3 Ų34.36%0.06320%0.195CC..THydrogen-bonded Turntrans76.45.5174.4790000118.4D34 R38 E209 Q228 V230D34-S207 WeakPolarHBondContact CB-OG 3.49Å; D34-S207 PolarHBondContact OD2-OG 3.2Å; R38-S207 PolarHBondContact NH1-O 3.31Å; R38-S207 PolarHBondContact NH2-OG 2.89Å; S207-E209 VanDerWaalsContact C-N 3.3Å; S207-E209 PolarHBondContact O-N 3.15Å; S207-E209 WeakPolarHBondContact OG-CG 3.25Å; S207-Q228 PolarHBondContact N-O 2.88Å; S207-V230 WeakPolarHBondContact CA-O 3.42Å; S207-V230 PolarHBondContact N-O 3.32Å
208G95.7Very high98.1Very high39 Ų3936.5 Ų36.540%0.40220%0.201SC..THydrogen-bonded Turntrans82.62.1174.500000115.2Q228G208-Q228 PolarHBondContact N-O 2.81Å
209E97.6Very high98.2Very high50 Ų5032.9 Ų32.923%0.23418%0.178CC..  trans-78.5129.1176-54.8-64.4145.200110.6R38 R205 S207 R211 F227R38-E209 IonicContact CZ-OE1 3.71Å; R38-E209 IonicContact NH1-OE1 3.36Å; R38-E209 PolarHBondContact NH1-OE1 2.99Å; R38-E209 IonicContact NH2-OE1 2.79Å; R205-E209 WeakPolarHBondContact CD-O 3.5Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.33Å; S207-E209 VanDerWaalsContact C-N 3.3Å; S207-E209 PolarHBondContact O-N 3.15Å; S207-E209 WeakPolarHBondContact OG-CG 3.25Å; E209-R211 PolarHBondContact O-N 2.75Å; E209-R211 IonicContact OE2-CZ 2.91Å; E209-R211 IonicContact OE2-NH1 2.89Å; E209-R211 PolarHBondContact OE2-NH1 3.37Å; E209-R211 IonicContact OE2-NH2 2.96Å; E209-R211 PolarHBondContact OE2-NH2 3.47Å; E209-F227 WeakPolarHBondContact O-CD1 3.2Å
210V98Very high98.2Very high117 Ų11729.9 Ų29.971%0.70916%0.162SC*.  trans-102.549.8-176.2-66.50000112.9F227V210-F227 HydrophobicContact CG1-CB 4.15Å; V210-F227 HydrophobicContact CG1-CD2 4.43Å; V210-F227 HydrophobicContact CG1-CG 4.14Å
211R98.1Very high98.1Very high124 Ų12433.4 Ų33.447%0.46819%0.187SC..SBendtrans-138.8165.4176.169.2-174.9165.5-77.3-4.6111R205 E209R205-R211 WeakPolarHBondContact CD-O 3.38Å; R205-R211 PolarHBondContact NH1-O 3.26Å; E209-R211 PolarHBondContact O-N 2.75Å; E209-R211 IonicContact OE2-CZ 2.91Å; E209-R211 IonicContact OE2-NH1 2.89Å; E209-R211 PolarHBondContact OE2-NH1 3.37Å; E209-R211 IonicContact OE2-NH2 2.96Å; E209-R211 PolarHBondContact OE2-NH2 3.47Å
212L97.9Very high98.1Very high41 Ų4135.6 Ų35.622%0.21520%0.196CC..  trans-90-18.4178.4-58.7-175000113.6I32 L203 D214 F215 L217 F227I32-L212 WeakPolarHBondContact CD1-O 3.4Å; L203-L212 HydrophobicContact CD2-CD2 3.51Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.18Å; L212-F215 VanDerWaalsContact O-CB 3.3Å; L212-F215 WeakPolarHBondContact O-CB 3.41Å; L212-F215 PolarHBondContact O-N 2.95Å; L212-L217 HydrophobicContact CB-CD2 3.85Å; L212-L217 HydrophobicContact CD1-CD2 3.72Å; L212-L217 HydrophobicContact CG-CD2 4.43Å; L212-F227 HydrophobicContact CD2-CZ 4.22Å
213S97Very high98Very high52 Ų5236.2 Ų36.236%0.36420%0.201SC..  trans52.442.8-179-70.80000113.7R205 F215R205-S213 PolarHBondContact NH1-OG 2.94Å; R205-S213 PolarHBondContact NH2-OG 3.07Å; S213-F215 PolarHBondContact O-N 3.47Å
214D98.2Very high98Very high37 Ų3736.4 Ų36.420%0.19820%0.202CC..SBendtrans60.540.6177.7-151.3-17.7000113.6T157 S158 R159 L212T157-D214 CarbonylContact C-O 3.6Å; T157-D214 WeakPolarHBondContact CA-O 3.48Å; T157-D214 HydrophobicContact CG2-CB 4.49Å; S158-D214 WeakPolarHBondContact CA-OD1 3.29Å; S158-D214 VanDerWaalsContact CB-OD1 3.29Å; S158-D214 WeakPolarHBondContact CB-OD1 3.35Å; S158-D214 PolarHBondContact N-O 3.41Å; S158-D214 PolarHBondContact N-OD1 3.48Å; R159-D214 WeakPolarHBondContact CD-OD2 3.42Å; R159-D214 WeakPolarHBondContact CG-OD2 3.4Å; R159-D214 PolarHBondContact N-OD1 2.92Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.18Å
215F98.8Very high98Very high0 Ų040.1 Ų40.10%022%0.222CC..SBendtrans-117.1123.2-179.8-173.2-120.7000111.6A30 I32 T74 Y76 C153 Y156 L203 L212 S213 L217A30-F215 HydrophobicContact CB-CE1 4.17Å; I32-F215 HydrophobicContact CD1-CB 4.07Å; I32-F215 HydrophobicContact CD1-CD1 3.81Å; I32-F215 HydrophobicContact CD1-CG 4.33Å; I32-F215 HydrophobicContact CG1-CB 4.33Å; I32-F215 HydrophobicContact CG1-CD1 3.39Å; I32-F215 HydrophobicContact CG1-CE1 3.9Å; I32-F215 HydrophobicContact CG1-CG 4.08Å; T74-F215 HydrophobicContact CG2-CZ 4.05Å; Y76-F215 VanDerWaalsContact CB-CE2 3.47Å; Y76-F215 HydrophobicContact CD1-CB 3.61Å; Y76-F215 HydrophobicContact CD1-CD1 4.33Å; Y76-F215 AromaticContact CD1-CD2 3.39Å; Y76-F215 HydrophobicContact CD1-CD2 3.39Å; Y76-F215 HydrophobicContact CD1-CE2 4.11Å; Y76-F215 AromaticContact CD1-CG 3.52Å; Y76-F215 HydrophobicContact CD1-CG 3.52Å; Y76-F215 AromaticContact CD2-CD2 3.8Å; Y76-F215 HydrophobicContact CD2-CD2 3.8Å; Y76-F215 AromaticContact CD2-CE2 3.97Å; Y76-F215 HydrophobicContact CD2-CE2 3.97Å; Y76-F215 HydrophobicContact CE1-CB 3.65Å; Y76-F215 AromaticContact CE1-CD2 3.83Å; Y76-F215 HydrophobicContact CE1-CD2 3.83Å; Y76-F215 HydrophobicContact CE1-CG 4Å; Y76-F215 HydrophobicContact CE2-CD2 4.18Å; Y76-F215 HydrophobicContact CG-CB 4.46Å; Y76-F215 AromaticContact CG-CD2 3.35Å; Y76-F215 HydrophobicContact CG-CD2 3.35Å; Y76-F215 AromaticContact CG-CE2 3.61Å; Y76-F215 HydrophobicContact CG-CE2 3.61Å; Y76-F215 AromaticContact CG-CG 3.91Å; Y76-F215 HydrophobicContact CG-CG 3.91Å; Y76-F215 HydrophobicContact CG-CZ 4.32Å; C153-F215 HydrophobicContact CB-CE2 3.79Å; Y156-F215 AromaticContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CE2 4.39Å; Y156-F215 AromaticContact CE1-CD2 3.72Å; Y156-F215 HydrophobicContact CE1-CD2 3.72Å; Y156-F215 HydrophobicContact CE1-CE2 4.25Å; L203-F215 HydrophobicContact CD1-CD1 3.74Å; L203-F215 HydrophobicContact CD1-CE1 3.67Å; L212-F215 VanDerWaalsContact O-CB 3.3Å; L212-F215 WeakPolarHBondContact O-CB 3.41Å; L212-F215 PolarHBondContact O-N 2.95Å; S213-F215 PolarHBondContact O-N 3.47Å; F215-L217 PolarHBondContact O-N 2.89Å; F215-L217 VanDerWaalsContact O-N 3.12Å
216L98.6Very high98Very high2 Ų240.4 Ų40.41%0.0122%0.224CC..SBendtrans46.341.5174.4-60.4177000114.3A30 T74 Y156 P200 W218 Q219 T220A30-L216 HydrophobicContact CB-CD1 3.72Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å; Y156-L216 PolarHBondContact OH-N 2.75Å; P200-L216 HydrophobicContact CG-CD1 4.01Å; L216-W218 VanDerWaalsContact C-N 3.3Å; L216-W218 PolarHBondContact O-N 3.25Å; L216-Q219 VanDerWaalsContact C-OE1 3.27Å; L216-Q219 HydrophobicContact CB-CB 4.27Å; L216-Q219 HydrophobicContact CD2-CG 4.27Å; L216-Q219 PolarHBondContact O-N 3.24Å; L216-T220 HydrophobicContact CB-CG2 3.77Å; L216-T220 HydrophobicContact CD1-CG2 4.45Å; L216-T220 WeakPolarHBondContact O-CB 3.42Å; L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 3.21Å; L216-T220 PolarHBondContact O-OG1 2.94Å
217L98.7Very high98Very high63 Ų6344 Ų4433%0.3324%0.24SC..THydrogen-bonded Turntrans-61.9-39.5-172.6-60176.1000111.7S158 L212 F215S158-L217 WeakPolarHBondContact OG-CB 3.36Å; S158-L217 PolarHBondContact OG-N 3.45Å; L212-L217 HydrophobicContact CB-CD2 3.85Å; L212-L217 HydrophobicContact CD1-CD2 3.72Å; L212-L217 HydrophobicContact CG-CD2 4.43Å; F215-L217 PolarHBondContact O-N 2.89Å; F215-L217 VanDerWaalsContact O-N 3.12Å
218W98.5Very high98.1Very high59 Ų5944.1 Ų44.122%0.22324%0.239CC..THydrogen-bonded Turntrans-67.3-53.4176.2-174.9-84.4000111.3I162 E185 L188 S189 L192 L216 T220 S221I162-W218 HydrophobicContact CD1-CB 4.37Å; I162-W218 HydrophobicContact CG1-CB 4.5Å; E185-W218 HydrophobicContact CB-CH2 4.47Å; E185-W218 HydrophobicContact CB-CZ2 4.36Å; E185-W218 HydrophobicContact CG-CH2 3.53Å; E185-W218 HydrophobicContact CG-CZ2 3.28Å; L188-W218 HydrophobicContact CB-CH2 4.16Å; L188-W218 HydrophobicContact CB-CZ2 4.11Å; L188-W218 HydrophobicContact CD1-CH2 3.79Å; L188-W218 HydrophobicContact CD1-CZ2 4.47Å; L188-W218 HydrophobicContact CD1-CZ3 3.98Å; L188-W218 HydrophobicContact CD2-CD2 3.96Å; L188-W218 HydrophobicContact CD2-CE3 3.97Å; L188-W218 HydrophobicContact CD2-CH2 3.69Å; L188-W218 HydrophobicContact CD2-CZ2 3.65Å; L188-W218 HydrophobicContact CD2-CZ3 3.86Å; L188-W218 HydrophobicContact CG-CH2 4.08Å; L188-W218 HydrophobicContact CG-CZ2 4.27Å; L188-W218 HydrophobicContact CG-CZ3 4.49Å; S189-W218 PolarHBondContact OG-NE1 2.95Å; L192-W218 HydrophobicContact CD1-CB 4.25Å; L192-W218 HydrophobicContact CD1-CG 3.82Å; L216-W218 VanDerWaalsContact C-N 3.3Å; L216-W218 PolarHBondContact O-N 3.25Å; W218-T220 VanDerWaalsContact C-N 3.28Å; W218-T220 PolarHBondContact O-N 3.49Å; W218-S221 PolarHBondContact O-N 3.36Å; W218-S221 PolarHBondContact O-OG 3.38Å
219Q98.6Very high98.2Very high2 Ų247.2 Ų47.21%0.00926%0.255CS..THydrogen-bonded Turntrans-68.7-26.9-171.7-56.788-26.800112.5E161 L192 S194 N199 L216E161-Q219 VanDerWaalsContact CD-NE2 3.35Å; E161-Q219 PolarHBondContact OE1-NE2 3.17Å; E161-Q219 PolarHBondContact OE2-NE2 3.37Å; L192-Q219 HydrophobicContact CD1-CG 4.33Å; S194-Q219 WeakPolarHBondContact OG-CG 3.43Å; S194-Q219 PolarHBondContact OG-NE2 3.35Å; N199-Q219 WeakPolarHBondContact CB-O 3.47Å; N199-Q219 WeakPolarHBondContact OD1-CA 3.19Å; N199-Q219 WeakPolarHBondContact OD1-CB 3.42Å; L216-Q219 VanDerWaalsContact C-OE1 3.27Å; L216-Q219 HydrophobicContact CB-CB 4.27Å; L216-Q219 HydrophobicContact CD2-CG 4.27Å; L216-Q219 PolarHBondContact O-N 3.24Å
220T98.4Very high98.3Very high6 Ų646.1 Ų46.14%0.03725%0.251CS..THydrogen-bonded Turntrans-100.88.8-174.362.70000115.3P200 L203 L216 W218 H222 S223P200-T220 HydrophobicContact CB-CG2 4.27Å; P200-T220 HydrophobicContact CG-CG2 3.97Å; L203-T220 HydrophobicContact CB-CG2 4.14Å; L203-T220 HydrophobicContact CD2-CG2 4.11Å; L203-T220 HydrophobicContact CG-CG2 4.49Å; L216-T220 HydrophobicContact CB-CG2 3.77Å; L216-T220 HydrophobicContact CD1-CG2 4.45Å; L216-T220 WeakPolarHBondContact O-CB 3.42Å; L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 3.21Å; L216-T220 PolarHBondContact O-OG1 2.94Å; W218-T220 VanDerWaalsContact C-N 3.28Å; W218-T220 PolarHBondContact O-N 3.49Å; T220-H222 PolarHBondContact O-N 3.16Å; T220-H222 VanDerWaalsContact O-N 3.15Å; T220-S223 VanDerWaalsContact CA-OG 3.27Å; T220-S223 WeakPolarHBondContact CA-OG 3.48Å; T220-S223 PolarHBondContact O-N 2.94Å
221S97.3Very high98.3Very high77 Ų7741.6 Ų41.654%0.53822%0.223SC..THydrogen-bonded Turntrans-53-34.7177.457.50000113.6W218W218-S221 PolarHBondContact O-N 3.36Å; W218-S221 PolarHBondContact O-OG 3.38Å
222H97.1Very high98.3Very high58 Ų5835.8 Ų35.827%0.26920%0.201SC..THydrogen-bonded Turntrans-124.239179.4-63.189000112T220 I254 R258 H261T220-H222 PolarHBondContact O-N 3.16Å; T220-H222 VanDerWaalsContact O-N 3.15Å; H222-I254 VanDerWaalsContact O-CG2 3.29Å; H222-I254 WeakPolarHBondContact O-CG2 3.13Å; H222-R258 HydrophobicContact CB-CG 3.8Å; H222-R258 PolarHBondContact O-NE 3.32Å; H222-R258 PolarHBondContact O-NH2 3.46Å; H222-H261 AromaticContact CE1-CG 3.85Å; H222-H261 AromaticContact CE1-ND1 3.93Å
223S98.2Very high98.3Very high14 Ų1434.5 Ų34.510%0.09820%0.195CC..SBendtrans-102.7158.8173.8-56.10000111.4P200 T220 L225P200-S223 WeakPolarHBondContact O-CB 3.35Å; P200-S223 PolarHBondContact O-OG 3.13Å; T220-S223 VanDerWaalsContact CA-OG 3.27Å; T220-S223 WeakPolarHBondContact CA-OG 3.48Å; T220-S223 PolarHBondContact O-N 2.94Å; S223-L225 PolarHBondContact O-N 2.94Å
224C98.6Very high98.4Very high8 Ų834.8 Ų34.85%0.05419%0.191CC..EExtended strand (participates in β ladder)trans-71125.3164.3-173.30000109D201 L202 L203 Y247 I254D201-C224 PolarHBondContact O-N 3.48Å; L202-C224 CarbonylContact C-O 3.59Å; L202-C224 WeakPolarHBondContact CA-O 3.46Å; L202-C224 HydrophobicContact CD1-CB 3.91Å; L203-C224 PolarHBondContact N-O 3.4Å; C224-Y247 HydrophobicContact CB-CD2 4.11Å; C224-I254 HydrophobicContact CB-CD1 3.66Å
225L98.8Very high98.4Very high77 Ų7733 Ų3340%0.40318%0.182SC..EExtended strand (participates in β ladder)trans-101.9121.6177.6-53.2-175.5000109.6L203 S223 F227L203-L225 HydrophobicContact CB-CD2 3.9Å; L203-L225 HydrophobicContact CD2-CD2 3.95Å; L203-L225 HydrophobicContact CG-CD2 4.46Å; S223-L225 PolarHBondContact O-N 2.94Å; L225-F227 HydrophobicContact CB-CE2 4.1Å; L225-F227 HydrophobicContact CB-CZ 4.46Å
226V98.8Very high98.4Very high12 Ų1234.7 Ų34.77%0.07319%0.193CC..EExtended strand (participates in β ladder)trans-122.9118.7179.9174.30000109.9L202 L203 I204 R205 Q228 A243 Q246L202-V226 HydrophobicContact CD1-CB 4.13Å; L202-V226 HydrophobicContact CD1-CG2 3.53Å; L203-V226 PolarHBondContact O-N 2.51Å; I204-V226 CarbonylContact C-O 3.59Å; I204-V226 WeakPolarHBondContact CA-O 3.27Å; I204-V226 HydrophobicContact CG1-CB 4.45Å; R205-V226 PolarHBondContact N-O 2.83Å; V226-Q228 HydrophobicContact CG1-CG 3.84Å; V226-A243 HydrophobicContact CB-CB 4.28Å; V226-A243 HydrophobicContact CG1-CB 3.86Å; V226-A243 HydrophobicContact CG2-CB 4.31Å; V226-Q246 HydrophobicContact CG2-CB 3.72Å; V226-Q246 HydrophobicContact CG2-CG 4.24Å
227F98.8Very high98.4Very high78 Ų7834.7 Ų34.734%0.34219%0.193SC..EExtended strand (participates in β ladder)trans-107.9120.3176.2-58.7-78.4000109.5R205 E209 V210 L212 L225R205-F227 HydrophobicContact CB-CD1 3.78Å; R205-F227 HydrophobicContact CB-CE1 4.09Å; R205-F227 HydrophobicContact CG-CD1 4.28Å; R205-F227 WeakPolarHBondContact O-CA 3.48Å; E209-F227 WeakPolarHBondContact O-CD1 3.2Å; V210-F227 HydrophobicContact CG1-CB 4.15Å; V210-F227 HydrophobicContact CG1-CD2 4.43Å; V210-F227 HydrophobicContact CG1-CG 4.14Å; L212-F227 HydrophobicContact CD2-CZ 4.22Å; L225-F227 HydrophobicContact CB-CE2 4.1Å; L225-F227 HydrophobicContact CB-CZ 4.46Å
228Q98.7Very high98.4Very high10 Ų1037.4 Ų37.45%0.04720%0.199CC..  trans-120.5139.8-178.3-69.4166.4-49.300110.7R205 T206 S207 G208 V226 V230 Y235 N239 E242R205-Q228 PolarHBondContact O-N 2.79Å; T206-Q228 CarbonylContact C-O 3.24Å; T206-Q228 VanDerWaalsContact C-O 3.24Å; T206-Q228 WeakPolarHBondContact CA-O 3.43Å; S207-Q228 PolarHBondContact N-O 2.88Å; G208-Q228 PolarHBondContact N-O 2.81Å; V226-Q228 HydrophobicContact CG1-CG 3.84Å; Q228-V230 VanDerWaalsContact C-N 3.3Å; Q228-V230 HydrophobicContact CB-CG1 4.02Å; Q228-V230 PolarHBondContact O-N 3.01Å; Q228-Y235 VanDerWaalsContact OE1-CE2 3.25Å; Q228-Y235 PolarHBondContact OE1-OH 3.11Å; Q228-Y235 VanDerWaalsContact OE1-OH 3.09Å; Q228-N239 PolarHBondContact NE2-O 2.89Å; Q228-E242 PolarHBondContact NE2-OE2 2.93Å
229S98.3Very high98.4Very high105 Ų10536.1 Ų36.173%0.73420%0.197SC*.  trans-74-19-177.655.10000114
230V98.6Very high98.4Very high26 Ų2636 Ų3616%0.15820%0.196CC..SBendtrans-58.1137.1177.864.90000111.1T206 S207 Q228 E234 Y235T206-V230 VanDerWaalsContact CB-O 3.27Å; T206-V230 WeakPolarHBondContact CB-O 3.48Å; T206-V230 HydrophobicContact CG2-CG1 4.14Å; S207-V230 WeakPolarHBondContact CA-O 3.42Å; S207-V230 PolarHBondContact N-O 3.32Å; Q228-V230 VanDerWaalsContact C-N 3.3Å; Q228-V230 HydrophobicContact CB-CG1 4.02Å; Q228-V230 PolarHBondContact O-N 3.01Å; V230-E234 HydrophobicContact CG2-CB 3.94Å; V230-Y235 HydrophobicContact CG1-CD2 3.58Å; V230-Y235 HydrophobicContact CG1-CE2 3.99Å
231L98.6Very high98.4Very high23 Ų2336.3 Ų36.312%0.1220%0.199CC..  trans-74142.2173.7-58.6178.3000109.7R38 F39 K42 E234 Y235R38-L231 HydrophobicContact CB-CD1 4.12Å; R38-L231 HydrophobicContact CB-CD2 3.94Å; F39-L231 HydrophobicContact CB-CB 4.38Å; F39-L231 HydrophobicContact CB-CD1 3.98Å; K42-L231 HydrophobicContact CD-CD1 4.26Å; L231-E234 WeakPolarHBondContact O-CA 3.33Å; L231-E234 WeakPolarHBondContact O-CB 3.48Å; L231-E234 PolarHBondContact O-N 2.9Å; L231-Y235 PolarHBondContact O-N 3.32Å
232W98.6Very high98.5Very high1 Ų137.3 Ų37.30%0.00420%0.195CC..G310 helixtrans-49-49.7-175.1174.9-108.1000114.5F31 M33 D34 G54 K57 L58 T61 T206 E234 Y235F31-W232 HydrophobicContact CB-CZ3 4.44Å; F31-W232 HydrophobicContact CD1-CH2 4.2Å; F31-W232 AromaticContact CD1-CZ3 3.8Å; F31-W232 HydrophobicContact CD1-CZ3 3.8Å; F31-W232 HydrophobicContact CE1-CZ3 4.39Å; F31-W232 HydrophobicContact CG-CH2 4.38Å; F31-W232 HydrophobicContact CG-CZ3 4.33Å; M33-W232 HydrophobicContact CB-CB 4.43Å; M33-W232 HydrophobicContact CB-CD2 3.61Å; M33-W232 HydrophobicContact CB-CE3 4.15Å; M33-W232 HydrophobicContact CB-CG 3.71Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.7Å; M33-W232 VanDerWaalsContact CG-CE2 3.46Å; M33-W232 HydrophobicContact CG-CE3 3.97Å; M33-W232 HydrophobicContact CG-CG 4.33Å; M33-W232 HydrophobicContact CG-CH2 3.81Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 4.03Å; M33-W232 HydrophobicContact SD-CD2 4.39Å; M33-W232 VanDerWaalsContact SD-CE2 3.53Å; M33-W232 HydrophobicContact SD-CH2 4.02Å; M33-W232 HydrophobicContact SD-CZ2 3.31Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.48Å; D34-W232 WeakPolarHBondContact O-CB 3.42Å; D34-W232 PolarHBondContact O-N 3.01Å; G54-W232 VanDerWaalsContact CA-CD1 3.45Å; G54-W232 PolarHBondContact O-NE1 2.94Å; K57-W232 HydrophobicContact CB-CZ2 4.41Å; K57-W232 HydrophobicContact CG-CD2 4.41Å; K57-W232 HydrophobicContact CG-CZ2 4.18Å; K57-W232 WeakPolarHBondContact CG-O 3.48Å; L58-W232 HydrophobicContact CB-CZ2 4.1Å; T61-W232 HydrophobicContact CG2-CH2 4.28Å; T206-W232 HydrophobicContact CG2-CE3 3.94Å; W232-E234 PolarHBondContact O-N 3.06Å; W232-Y235 HydrophobicContact CE3-CG 4.33Å; W232-Y235 HydrophobicContact CZ3-CD1 4.19Å; W232-Y235 HydrophobicContact CZ3-CG 4.24Å; W232-Y235 WeakPolarHBondContact O-CB 3.38Å; W232-Y235 PolarHBondContact O-N 3.43Å
233P98.2Very high98.6Very high14 Ų1434.6 Ų34.69%0.09118%0.182CC..G310 helixtrans-63.1-16.8179.9-2537.5000114.9N36 F39 Q53 K57N36-P233 WeakPolarHBondContact OD1-CD 3.38Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.39Å; F39-P233 HydrophobicContact CB-CB 4.29Å; F39-P233 HydrophobicContact CB-CG 3.83Å; F39-P233 HydrophobicContact CD1-CB 3.59Å; F39-P233 HydrophobicContact CD1-CG 3.67Å; F39-P233 HydrophobicContact CD2-CB 3.9Å; F39-P233 HydrophobicContact CD2-CG 4.38Å; F39-P233 HydrophobicContact CE1-CB 3.76Å; F39-P233 HydrophobicContact CE1-CG 4.31Å; F39-P233 HydrophobicContact CE2-CB 4.04Å; F39-P233 HydrophobicContact CG-CB 3.64Å; F39-P233 HydrophobicContact CG-CG 3.69Å; F39-P233 HydrophobicContact CZ-CB 3.96Å; Q53-P233 HydrophobicContact CB-CB 4.09Å; K57-P233 WeakPolarHBondContact CE-O 3.4Å
234E98.3Very high98.6Very high58 Ų5833.9 Ų33.927%0.27118%0.177SC..G310 helixtrans-95.91.7177.4-59.3-176.8132.400112.8F39 K42 V230 L231 W232F39-E234 HydrophobicContact CD2-CG 3.51Å; F39-E234 HydrophobicContact CE2-CG 3.53Å; K42-E234 IonicContact NZ-OE1 2.61Å; K42-E234 PolarHBondContact NZ-OE1 3.01Å; K42-E234 IonicContact NZ-OE2 3.91Å; K42-E234 PolarHBondContact NZ-OE2 3.37Å; V230-E234 HydrophobicContact CG2-CB 3.94Å; L231-E234 WeakPolarHBondContact O-CA 3.33Å; L231-E234 WeakPolarHBondContact O-CB 3.48Å; L231-E234 PolarHBondContact O-N 2.9Å; W232-E234 PolarHBondContact O-N 3.06Å
235Y98.7Very high98.6Very high0 Ų036.2 Ų36.20%019%0.191CC..  trans-57.6139.2-178.4-157.2-108.7000111.8F31 K57 W64 I204 T206 Q228 V230 L231 W232 N239 L240F31-Y235 HydrophobicContact CE1-CE1 4.09Å; K57-Y235 VanDerWaalsContact CD-O 3.23Å; K57-Y235 WeakPolarHBondContact CD-O 3.44Å; K57-Y235 WeakPolarHBondContact CE-O 3.44Å; K57-Y235 PolarHBondContact NZ-O 3.34Å; W64-Y235 HydrophobicContact CZ3-CD1 4.26Å; I204-Y235 HydrophobicContact CG2-CE2 4.39Å; T206-Y235 HydrophobicContact CG2-CD2 3.51Å; T206-Y235 HydrophobicContact CG2-CE2 3.72Å; T206-Y235 HydrophobicContact CG2-CG 4.47Å; Q228-Y235 VanDerWaalsContact OE1-CE2 3.25Å; Q228-Y235 PolarHBondContact OE1-OH 3.11Å; Q228-Y235 VanDerWaalsContact OE1-OH 3.09Å; V230-Y235 HydrophobicContact CG1-CD2 3.58Å; V230-Y235 HydrophobicContact CG1-CE2 3.99Å; L231-Y235 PolarHBondContact O-N 3.32Å; W232-Y235 HydrophobicContact CE3-CG 4.33Å; W232-Y235 HydrophobicContact CZ3-CD1 4.19Å; W232-Y235 HydrophobicContact CZ3-CG 4.24Å; W232-Y235 WeakPolarHBondContact O-CB 3.38Å; W232-Y235 PolarHBondContact O-N 3.43Å; Y235-N239 HydrophobicContact CD2-CB 3.82Å; Y235-N239 HydrophobicContact CE1-CB 4.2Å; Y235-N239 HydrophobicContact CE2-CB 3.4Å; Y235-N239 HydrophobicContact CG-CB 4.37Å; Y235-N239 PolarHBondContact OH-O 2.99Å; Y235-L240 HydrophobicContact CE1-CB 4.1Å; Y235-L240 PolarHBondContact OH-N 2.93Å
236S98.3Very high98.6Very high36 Ų3636.4 Ų36.425%0.25219%0.19SC..  trans-124.7163.1-176.872.90000112W64 W238 N239 L240W64-S236 VanDerWaalsContact CZ3-C 3.48Å; S236-W238 PolarHBondContact O-N 3.41Å; S236-W238 PolarHBondContact OG-N 3.33Å; S236-N239 WeakPolarHBondContact CB-OD1 3.49Å; S236-N239 PolarHBondContact N-OD1 2.78Å; S236-N239 WeakPolarHBondContact O-CB 3.37Å; S236-N239 PolarHBondContact O-N 3.17Å; S236-N239 PolarHBondContact OG-N 3.14Å; S236-N239 PolarHBondContact OG-OD1 2.78Å; S236-L240 PolarHBondContact O-N 3.48Å
237F98.3Very high98.6Very high2 Ų236 Ų361%0.00919%0.187CC..Hα-helixtrans-51.5-39.2171.1177.6-97.8000111.5L9 E13 A17 W64 L68 N239 L240 C241L9-F237 HydrophobicContact CD1-CE2 4.11Å; L9-F237 HydrophobicContact CD1-CZ 4.31Å; L9-F237 HydrophobicContact CD2-CD2 4.18Å; L9-F237 HydrophobicContact CD2-CE2 3.98Å; E13-F237 HydrophobicContact CB-CD1 4.02Å; E13-F237 HydrophobicContact CB-CE1 3.71Å; E13-F237 HydrophobicContact CB-CE2 4.46Å; E13-F237 HydrophobicContact CB-CG 4.49Å; E13-F237 HydrophobicContact CB-CZ 3.96Å; E13-F237 HydrophobicContact CG-CB 4.47Å; E13-F237 HydrophobicContact CG-CD1 3.55Å; E13-F237 HydrophobicContact CG-CE1 3.79Å; E13-F237 HydrophobicContact CG-CG 3.94Å; E13-F237 HydrophobicContact CG-CZ 4.4Å; A17-F237 HydrophobicContact CB-CZ 4.31Å; W64-F237 HydrophobicContact CB-CD2 4.09Å; W64-F237 AromaticContact CD1-CD2 3.73Å; W64-F237 HydrophobicContact CD2-CB 4.13Å; W64-F237 HydrophobicContact CD2-CD2 4.26Å; W64-F237 AromaticContact CG-CD2 3.8Å; W64-F237 HydrophobicContact CG-CD2 3.8Å; W64-F237 VanDerWaalsContact CH2-N 3.35Å; W64-F237 HydrophobicContact CZ2-CB 4.14Å; L68-F237 HydrophobicContact CD1-CE2 4.03Å; L68-F237 HydrophobicContact CD2-CE2 4.48Å; L68-F237 HydrophobicContact CG-CE2 4.36Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 3.49Å; F237-L240 WeakPolarHBondContact O-CB 3.5Å; F237-L240 PolarHBondContact O-N 3.09Å; F237-L240 VanDerWaalsContact O-N 3.12Å; F237-C241 WeakPolarHBondContact CE1-SG 3.46Å; F237-C241 VanDerWaalsContact CZ-SG 3.53Å; F237-C241 PolarHBondContact O-N 3.46Å; F237-C241 PolarHBondContact O-SG 2.79Å; F237-C241 VanDerWaalsContact O-SG 3.38Å
238W98.6Very high98.6Very high120 Ų12034.5 Ų34.546%0.45518%0.181SC..Hα-helixtrans-66.5-32.9-179.9-51.2115.5000113.3L12 E13 S16 S236 L240 C241 E242L12-W238 HydrophobicContact CB-CH2 3.94Å; L12-W238 HydrophobicContact CB-CZ2 4.31Å; E13-W238 HydrophobicContact CG-CH2 4.24Å; E13-W238 HydrophobicContact CG-CZ2 4.12Å; S16-W238 WeakPolarHBondContact OG-CZ3 3.3Å; S236-W238 PolarHBondContact O-N 3.41Å; S236-W238 PolarHBondContact OG-N 3.33Å; W238-L240 VanDerWaalsContact C-N 3.35Å; W238-C241 PolarHBondContact O-N 3.01Å; W238-E242 WeakPolarHBondContact O-CB 3.5Å; W238-E242 PolarHBondContact O-N 2.75Å
239N98.8Very high98.6Very high31 Ų3140 Ų4017%0.16621%0.21CC..Hα-helixtrans-67.3-39.1172.5-58.8114.8000111Q228 Y235 S236 F237 E242 A243Q228-N239 PolarHBondContact NE2-O 2.89Å; Y235-N239 HydrophobicContact CD2-CB 3.82Å; Y235-N239 HydrophobicContact CE1-CB 4.2Å; Y235-N239 HydrophobicContact CE2-CB 3.4Å; Y235-N239 HydrophobicContact CG-CB 4.37Å; Y235-N239 PolarHBondContact OH-O 2.99Å; S236-N239 WeakPolarHBondContact CB-OD1 3.49Å; S236-N239 PolarHBondContact N-OD1 2.78Å; S236-N239 WeakPolarHBondContact O-CB 3.37Å; S236-N239 PolarHBondContact O-N 3.17Å; S236-N239 PolarHBondContact OG-N 3.14Å; S236-N239 PolarHBondContact OG-OD1 2.78Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 3.49Å; N239-E242 PolarHBondContact O-N 2.95Å; N239-A243 PolarHBondContact O-N 3.47Å
240L98.8Very high98.6Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-64.1-43.4173.6-177.458.4000111.5F31 W64 L68 I204 Y235 S236 F237 W238 E242 A243 I244F31-L240 HydrophobicContact CE1-CD1 4.41Å; F31-L240 HydrophobicContact CZ-CD1 3.98Å; W64-L240 HydrophobicContact CB-CD2 3.82Å; L68-L240 HydrophobicContact CD1-CD2 3.72Å; L68-L240 HydrophobicContact CD1-CG 4.18Å; I204-L240 HydrophobicContact CD1-CD1 4.02Å; Y235-L240 HydrophobicContact CE1-CB 4.1Å; Y235-L240 PolarHBondContact OH-N 2.93Å; S236-L240 PolarHBondContact O-N 3.48Å; F237-L240 WeakPolarHBondContact O-CB 3.5Å; F237-L240 PolarHBondContact O-N 3.09Å; F237-L240 VanDerWaalsContact O-N 3.12Å; W238-L240 VanDerWaalsContact C-N 3.35Å; L240-E242 PolarHBondContact O-N 2.73Å; L240-A243 PolarHBondContact O-N 2.86Å; L240-I244 HydrophobicContact CD1-CD1 4.2Å; L240-I244 HydrophobicContact CD1-CG1 4.46Å; L240-I244 HydrophobicContact CG-CD1 3.93Å; L240-I244 VanDerWaalsContact O-CG1 3.32Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 2.9Å
241C98.6Very high98.5Very high13 Ų1339 Ų399%0.08819%0.194CC..Hα-helixtrans-58.5-46.7174.4-69.10000112.2L20 F237 W238 A243 I244 V245L20-C241 HydrophobicContact CD1-CB 3.86Å; L20-C241 VanDerWaalsContact CD1-SG 3.58Å; F237-C241 WeakPolarHBondContact CE1-SG 3.46Å; F237-C241 VanDerWaalsContact CZ-SG 3.53Å; F237-C241 PolarHBondContact O-N 3.46Å; F237-C241 PolarHBondContact O-SG 2.79Å; F237-C241 VanDerWaalsContact O-SG 3.38Å; W238-C241 PolarHBondContact O-N 3.01Å; C241-A243 VanDerWaalsContact C-N 3.31Å; C241-A243 PolarHBondContact O-N 2.65Å; C241-I244 PolarHBondContact O-N 2.88Å; C241-V245 WeakPolarHBondContact O-CG2 3.4Å; C241-V245 PolarHBondContact O-N 3.31Å
242E98.6Very high98.5Very high98 Ų9846.3 Ų46.346%0.45823%0.225SC..Hα-helixtrans-55.7-46.5175.6177.7-174.1-13800111.3Q228 W238 N239 L240 I244 V245 Q246Q228-E242 PolarHBondContact NE2-OE2 2.93Å; W238-E242 WeakPolarHBondContact O-CB 3.5Å; W238-E242 PolarHBondContact O-N 2.75Å; N239-E242 PolarHBondContact O-N 2.95Å; L240-E242 PolarHBondContact O-N 2.73Å; E242-I244 VanDerWaalsContact C-N 3.34Å; E242-I244 PolarHBondContact O-N 3.48Å; E242-V245 PolarHBondContact O-N 3.28Å; E242-Q246 WeakPolarHBondContact O-CG 3.29Å; E242-Q246 PolarHBondContact O-N 3.36Å
243A98.8Very high98.4Very high0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-64.2-37.9178.900000112.6L202 I204 V226 N239 L240 C241 Q246 Y247L202-A243 HydrophobicContact CD2-CB 4.01Å; I204-A243 HydrophobicContact CD1-CB 3.43Å; I204-A243 VanDerWaalsContact CD1-CB 3.43Å; I204-A243 HydrophobicContact CG1-CB 3.9Å; V226-A243 HydrophobicContact CB-CB 4.28Å; V226-A243 HydrophobicContact CG1-CB 3.86Å; V226-A243 HydrophobicContact CG2-CB 4.31Å; N239-A243 PolarHBondContact O-N 3.47Å; L240-A243 PolarHBondContact O-N 2.86Å; C241-A243 VanDerWaalsContact C-N 3.31Å; C241-A243 PolarHBondContact O-N 2.65Å; A243-Q246 PolarHBondContact O-N 3.05Å; A243-Y247 PolarHBondContact O-N 3.16Å
244I98.8Very high98.3Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-67-39.9175.1-68163.2000111L20 M25 P26 L68 I70 L202 L240 C241 E242 Q246 Y247 Q248L20-I244 HydrophobicContact CD1-CG2 4.49Å; L20-I244 HydrophobicContact CD2-CG2 4.27Å; M25-I244 HydrophobicContact CE-CD1 4.16Å; M25-I244 HydrophobicContact CE-CG2 4.11Å; M25-I244 HydrophobicContact SD-CG2 3.85Å; P26-I244 HydrophobicContact CG-CG1 4.28Å; L68-I244 HydrophobicContact CD1-CD1 3.7Å; I70-I244 HydrophobicContact CD1-CD1 4.06Å; L202-I244 HydrophobicContact CD2-CG1 4.44Å; L240-I244 HydrophobicContact CD1-CD1 4.2Å; L240-I244 HydrophobicContact CD1-CG1 4.46Å; L240-I244 HydrophobicContact CG-CD1 3.93Å; L240-I244 VanDerWaalsContact O-CG1 3.32Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 2.9Å; C241-I244 PolarHBondContact O-N 2.88Å; E242-I244 VanDerWaalsContact C-N 3.34Å; E242-I244 PolarHBondContact O-N 3.48Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.47Å; I244-Y247 WeakPolarHBondContact O-CB 3.39Å; I244-Y247 PolarHBondContact O-N 3.11Å; I244-Q248 HydrophobicContact CG2-CG 4.42Å; I244-Q248 WeakPolarHBondContact O-CG 3.46Å; I244-Q248 PolarHBondContact O-N 3.26Å
245V98.7Very high98.2Very high57 Ų5750.3 Ų50.335%0.34525%0.252SS..Hα-helixtrans-60.5-43.6174.1171.20000110.5L20 C241 E242 Y247 Q248 L249L20-V245 HydrophobicContact CD2-CG2 3.58Å; C241-V245 WeakPolarHBondContact O-CG2 3.4Å; C241-V245 PolarHBondContact O-N 3.31Å; E242-V245 PolarHBondContact O-N 3.28Å; V245-Y247 VanDerWaalsContact C-N 3.31Å; V245-Y247 PolarHBondContact O-N 2.93Å; V245-Q248 PolarHBondContact O-N 3.3Å; V245-Q248 VanDerWaalsContact O-N 3.14Å; V245-L249 HydrophobicContact CG1-CD1 4.05Å; V245-L249 HydrophobicContact CG1-CG 4.32Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.34Å; V245-L249 PolarHBondContact O-N 3.27Å
246Q98.6Very high98.2Very high80 Ų8056.7 Ų56.737%0.37428%0.28SS..Hα-helixtrans-59.6-41.7174.8-68.4-60-29.100112.1V226 E242 A243 I244 L249 N250V226-Q246 HydrophobicContact CG2-CB 3.72Å; V226-Q246 HydrophobicContact CG2-CG 4.24Å; E242-Q246 WeakPolarHBondContact O-CG 3.29Å; E242-Q246 PolarHBondContact O-N 3.36Å; A243-Q246 PolarHBondContact O-N 3.05Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.47Å; Q246-L249 PolarHBondContact O-N 3.45Å; Q246-N250 PolarHBondContact O-N 3.35Å; Q246-N250 PolarHBondContact O-ND2 3.33Å
247Y98.7Very high98Very high5 Ų556.8 Ų56.82%0.0228%0.283CS..Hα-helixtrans-60.4-47.1172.4166.7-99.8000111.9P24 P26 D201 C224 A243 I244 V245 L249 N250 H251P24-Y247 HydrophobicContact CB-CE1 4.49Å; P26-Y247 HydrophobicContact CB-CD1 4.2Å; P26-Y247 HydrophobicContact CB-CE1 4.14Å; P26-Y247 HydrophobicContact CB-CG 4.42Å; P26-Y247 HydrophobicContact CG-CD1 4.28Å; D201-Y247 HydrophobicContact CB-CD2 4.26Å; D201-Y247 HydrophobicContact CB-CE2 3.69Å; C224-Y247 HydrophobicContact CB-CD2 4.11Å; A243-Y247 PolarHBondContact O-N 3.16Å; I244-Y247 WeakPolarHBondContact O-CB 3.39Å; I244-Y247 PolarHBondContact O-N 3.11Å; V245-Y247 VanDerWaalsContact C-N 3.31Å; V245-Y247 PolarHBondContact O-N 2.93Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.3Å; Y247-N250 CarbonylContact O-C 3.47Å; Y247-N250 PolarHBondContact O-N 3.47Å; Y247-N250 VanDerWaalsContact O-N 3.15Å; Y247-H251 AromaticContact CE1-ND1 3.94Å; Y247-H251 AromaticContact CZ-ND1 3.4Å; Y247-H251 WeakPolarHBondContact O-CA 3.14Å; Y247-H251 WeakPolarHBondContact O-CB 3.43Å; Y247-H251 PolarHBondContact O-N 3.32Å; Y247-H251 PolarHBondContact OH-CE1 3.11Å; Y247-H251 PolarHBondContact OH-ND1 3.39Å
248Q98.6Very high97.9Very high45 Ų4558.8 Ų58.821%0.2129%0.29CS..Hα-helixtrans-61.2-40.8-179.7-75.2-176.7-16.200112.7L20 P24 I244 V245 N250 H251L20-Q248 PolarHBondContact O-NE2 3.04Å; P24-Q248 HydrophobicContact CG-CG 4.21Å; P24-Q248 WeakPolarHBondContact O-CG 3.45Å; P24-Q248 PolarHBondContact O-NE2 3.35Å; I244-Q248 HydrophobicContact CG2-CG 4.42Å; I244-Q248 WeakPolarHBondContact O-CG 3.46Å; I244-Q248 PolarHBondContact O-N 3.26Å; V245-Q248 PolarHBondContact O-N 3.3Å; V245-Q248 VanDerWaalsContact O-N 3.14Å; Q248-N250 VanDerWaalsContact C-N 3.31Å; Q248-N250 PolarHBondContact O-N 2.89Å; Q248-H251 WeakPolarHBondContact O-CB 3.3Å; Q248-H251 PolarHBondContact O-N 2.92Å
249L98.4Very high97.8Very high125 Ų12557.6 Ų57.665%0.65429%0.29SS*.Hα-helixtrans-63.5-36.9176.2-69.8173000112.1V245 Q246 Y247V245-L249 HydrophobicContact CG1-CD1 4.05Å; V245-L249 HydrophobicContact CG1-CG 4.32Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.34Å; V245-L249 PolarHBondContact O-N 3.27Å; Q246-L249 PolarHBondContact O-N 3.45Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.3Å
250N98.2Very high97.7Very high66 Ų6660.9 Ų60.935%0.35331%0.307SS..Hα-helixtrans-93.6-6.4-178.1-70.6-79.9000113.9Q246 Y247 Q248 K252 S253 I254Q246-N250 PolarHBondContact O-N 3.35Å; Q246-N250 PolarHBondContact O-ND2 3.33Å; Y247-N250 CarbonylContact O-C 3.47Å; Y247-N250 PolarHBondContact O-N 3.47Å; Y247-N250 VanDerWaalsContact O-N 3.15Å; Q248-N250 VanDerWaalsContact C-N 3.31Å; Q248-N250 PolarHBondContact O-N 2.89Å; N250-K252 VanDerWaalsContact C-N 3.35Å; N250-K252 PolarHBondContact O-N 3.33Å; N250-S253 PolarHBondContact O-N 3.28Å; N250-S253 VanDerWaalsContact O-N 3.11Å; N250-I254 HydrophobicContact CB-CD1 3.78Å; N250-I254 HydrophobicContact CB-CG1 4.32Å; N250-I254 WeakPolarHBondContact O-CG1 3.31Å; N250-I254 PolarHBondContact O-N 2.92Å
251H98.1Very high97.5Very high44 Ų4463.1 Ų63.120%0.20432%0.317CS..Hα-helixtrans-53.5-48.1-169.1176.975.9000112.6P24 Y247 Q248 S253 I254 Q255P24-H251 HydrophobicContact CB-CB 4.47Å; P24-H251 HydrophobicContact CG-CB 3.93Å; Y247-H251 AromaticContact CE1-ND1 3.94Å; Y247-H251 AromaticContact CZ-ND1 3.4Å; Y247-H251 WeakPolarHBondContact O-CA 3.14Å; Y247-H251 WeakPolarHBondContact O-CB 3.43Å; Y247-H251 PolarHBondContact O-N 3.32Å; Y247-H251 PolarHBondContact OH-CE1 3.11Å; Y247-H251 PolarHBondContact OH-ND1 3.39Å; Q248-H251 WeakPolarHBondContact O-CB 3.3Å; Q248-H251 PolarHBondContact O-N 2.92Å; H251-S253 PolarHBondContact O-N 3.22Å; H251-I254 PolarHBondContact O-N 3.26Å; H251-Q255 VanDerWaalsContact O-CG 3.31Å; H251-Q255 WeakPolarHBondContact O-CG 3.41Å; H251-Q255 PolarHBondContact O-N 3.07Å
252K97.5Very high97.3Very high178 Ų17869.1 Ų69.177%0.77434%0.338SS*.Hα-helixtrans-61-43.9-179.1-68.2-174.6178.9-1790112.6N250 K256N250-K252 VanDerWaalsContact C-N 3.35Å; N250-K252 PolarHBondContact O-N 3.33Å; K252-K256 WeakPolarHBondContact O-CB 3.3Å; K252-K256 PolarHBondContact O-N 3.37Å; K252-K256 VanDerWaalsContact O-N 3.08Å
253S96.7Very high97.2Very high84 Ų8469.8 Ų69.859%0.58735%0.345SS*.Hα-helixtrans-67.1-41.3179.8-54.80000111.3N250 H251 K256 A257N250-S253 PolarHBondContact O-N 3.28Å; N250-S253 VanDerWaalsContact O-N 3.11Å; H251-S253 PolarHBondContact O-N 3.22Å; S253-K256 PolarHBondContact O-N 3.46Å; S253-A257 PolarHBondContact O-N 2.96Å
254I96.4Very high97Very high19 Ų1974.9 Ų74.910%0.09737%0.369CS..Hα-helixtrans-64.1-46.7177.1-68.5166.2000110.8H222 C224 N250 H251 K256 A257 R258H222-I254 VanDerWaalsContact O-CG2 3.29Å; H222-I254 WeakPolarHBondContact O-CG2 3.13Å; C224-I254 HydrophobicContact CB-CD1 3.66Å; N250-I254 HydrophobicContact CB-CD1 3.78Å; N250-I254 HydrophobicContact CB-CG1 4.32Å; N250-I254 WeakPolarHBondContact O-CG1 3.31Å; N250-I254 PolarHBondContact O-N 2.92Å; H251-I254 PolarHBondContact O-N 3.26Å; I254-K256 PolarHBondContact O-N 2.78Å; I254-A257 PolarHBondContact O-N 3.16Å; I254-R258 HydrophobicContact CG2-CG 4.4Å; I254-R258 WeakPolarHBondContact O-CG 3.35Å; I254-R258 PolarHBondContact O-N 3.34Å
255Q96.9Very high96.7Very high53 Ų5377.2 Ų77.225%0.24838%0.379CS..Hα-helixtrans-60.5-45.2178.4-69.8-56-43.100111.5H251 A257 R258 E259H251-Q255 VanDerWaalsContact O-CG 3.31Å; H251-Q255 WeakPolarHBondContact O-CG 3.41Å; H251-Q255 PolarHBondContact O-N 3.07Å; Q255-A257 VanDerWaalsContact C-N 3.35Å; Q255-A257 PolarHBondContact O-N 2.96Å; Q255-R258 PolarHBondContact O-N 3.03Å; Q255-E259 WeakPolarHBondContact O-CG 3.38Å; Q255-E259 PolarHBondContact O-N 2.89Å
256K97.2Very high96.5Very high135 Ų13577.5 Ų77.559%0.58739%0.387SS*.Hα-helixtrans-59.6-43.9176.3-175.9177.5179-179.20112.3K252 S253 I254 E259 L260K252-K256 WeakPolarHBondContact O-CB 3.3Å; K252-K256 PolarHBondContact O-N 3.37Å; K252-K256 VanDerWaalsContact O-N 3.08Å; S253-K256 PolarHBondContact O-N 3.46Å; I254-K256 PolarHBondContact O-N 2.78Å; K256-E259 PolarHBondContact O-N 3.09Å; K256-L260 HydrophobicContact CG-CD1 4.2Å; K256-L260 WeakPolarHBondContact O-CG 3.34Å; K256-L260 PolarHBondContact O-N 3.42Å
257A95.3Very high96.3Very high37 Ų3778.2 Ų78.231%0.30639%0.393SS..Hα-helixtrans-64.4-40.8177.800000111.8S253 I254 Q255 L260 H261S253-A257 PolarHBondContact O-N 2.96Å; I254-A257 PolarHBondContact O-N 3.16Å; Q255-A257 VanDerWaalsContact C-N 3.35Å; Q255-A257 PolarHBondContact O-N 2.96Å; A257-L260 PolarHBondContact O-N 3.34Å; A257-H261 WeakPolarHBondContact O-CB 3.4Å; A257-H261 PolarHBondContact O-N 3.49Å
258R96Very high96Very high44 Ų4482.3 Ų82.317%0.16641%0.413CS..Hα-helixtrans-65.2-35.8175.2-71.4176179.5-169.4-4.2113.2P200 D201 H222 I254 Q255 R262P200-R258 PolarHBondContact O-NH2 3.36Å; D201-R258 IonicContact OD1-CZ 3.01Å; D201-R258 IonicContact OD1-NH1 2.75Å; D201-R258 PolarHBondContact OD1-NH1 3.01Å; D201-R258 IonicContact OD1-NH2 3.6Å; H222-R258 HydrophobicContact CB-CG 3.8Å; H222-R258 PolarHBondContact O-NE 3.32Å; H222-R258 PolarHBondContact O-NH2 3.46Å; I254-R258 HydrophobicContact CG2-CG 4.4Å; I254-R258 WeakPolarHBondContact O-CG 3.35Å; I254-R258 PolarHBondContact O-N 3.34Å; Q255-R258 PolarHBondContact O-N 3.03Å; R258-R262 VanDerWaalsContact O-CG 3.3Å; R258-R262 WeakPolarHBondContact O-CG 3.06Å; R258-R262 PolarHBondContact O-N 2.95Å; R258-R262 PolarHBondContact O-NE 3.12Å
259E96.4Very high95.7Very high95 Ų9582 Ų8244%0.44441%0.411SS..Hα-helixtrans-65.2-52174-76.5166.7-175.500110.9Q255 K256 H261 R262 D263Q255-E259 WeakPolarHBondContact O-CG 3.38Å; Q255-E259 PolarHBondContact O-N 2.89Å; K256-E259 PolarHBondContact O-N 3.09Å; E259-H261 VanDerWaalsContact C-N 3.31Å; E259-H261 PolarHBondContact O-N 2.93Å; E259-R262 VanDerWaalsContact CG-NH2 3.27Å; E259-R262 PolarHBondContact O-N 3.36Å; E259-R262 VanDerWaalsContact O-N 3.12Å; E259-D263 PolarHBondContact O-N 2.91Å
260L96.1Very high95.4Very high101 Ų10180.1 Ų80.153%0.52940%0.401SS..Hα-helixtrans-58.2-42.9178.3-69.6170.6000112.4K256 A257 R262 D263 E264K256-L260 HydrophobicContact CG-CD1 4.2Å; K256-L260 WeakPolarHBondContact O-CG 3.34Å; K256-L260 PolarHBondContact O-N 3.42Å; A257-L260 PolarHBondContact O-N 3.34Å; L260-R262 PolarHBondContact O-N 3.25Å; L260-D263 PolarHBondContact O-N 3.45Å; L260-E264 WeakPolarHBondContact O-CB 3.49Å; L260-E264 PolarHBondContact O-N 3.41Å
261H94.9Very high95.1Very high47 Ų4782.6 Ų82.622%0.21841%0.411CS..Hα-helixtrans-62.1-41.6177-171.369.3000112.2E185 H222 A257 E259 E264 Q265E185-H261 IonicContact OE1-CE1 3Å; E185-H261 PolarHBondContact OE1-CE1 3.37Å; E185-H261 IonicContact OE1-NE2 3.37Å; E185-H261 PolarHBondContact OE1-NE2 3.03Å; E185-H261 IonicContact OE2-CE1 3.35Å; E185-H261 IonicContact OE2-NE2 3.69Å; E185-H261 PolarHBondContact OE2-NE2 3.18Å; H222-H261 AromaticContact CE1-CG 3.85Å; H222-H261 AromaticContact CE1-ND1 3.93Å; A257-H261 WeakPolarHBondContact O-CB 3.4Å; A257-H261 PolarHBondContact O-N 3.49Å; E259-H261 VanDerWaalsContact C-N 3.31Å; E259-H261 PolarHBondContact O-N 2.93Å; H261-E264 PolarHBondContact O-N 3.19Å; H261-Q265 PolarHBondContact NE2-NE2 3.29Å; H261-Q265 VanDerWaalsContact NE2-NE2 3.11Å; H261-Q265 VanDerWaalsContact O-CG 3.31Å; H261-Q265 WeakPolarHBondContact O-CG 3.47Å; H261-Q265 PolarHBondContact O-N 3.23Å
262R94.7Very high94.7Very high139 Ų13982.3 Ų82.353%0.52542%0.416SS..Hα-helixtrans-65.3-40.4176.8-76.7-176.9-65.2162.50.4112.3R258 E259 L260 E264 Q265 A266R258-R262 VanDerWaalsContact O-CG 3.3Å; R258-R262 WeakPolarHBondContact O-CG 3.06Å; R258-R262 PolarHBondContact O-N 2.95Å; R258-R262 PolarHBondContact O-NE 3.12Å; E259-R262 VanDerWaalsContact CG-NH2 3.27Å; E259-R262 PolarHBondContact O-N 3.36Å; E259-R262 VanDerWaalsContact O-N 3.12Å; L260-R262 PolarHBondContact O-N 3.25Å; R262-E264 VanDerWaalsContact C-N 3.34Å; R262-Q265 PolarHBondContact O-N 3.37Å; R262-A266 PolarHBondContact O-N 2.96Å
263D95.7Very high94.4Very high112 Ų11274.1 Ų74.160%0.59938%0.381SS*.Hα-helixtrans-64.9-40.8176.8-67.8-16.3000110.9E259 L260 A266 L267E259-D263 PolarHBondContact O-N 2.91Å; L260-D263 PolarHBondContact O-N 3.45Å; D263-A266 PolarHBondContact O-N 3.18Å; D263-L267 PolarHBondContact O-N 3.23Å
264E94.9Very high94.1Very high107 Ų10773 Ų7350%0.537%0.372SS..Hα-helixtrans-63.5-44175.3-174.2173.4-174.600111.9L260 H261 R262 A266 L267 Q268L260-E264 WeakPolarHBondContact O-CB 3.49Å; L260-E264 PolarHBondContact O-N 3.41Å; H261-E264 PolarHBondContact O-N 3.19Å; R262-E264 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.5Å; E264-L267 PolarHBondContact O-N 3.4Å; E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 3.05Å; E264-Q268 PolarHBondContact OE1-NE2 3.43Å
265Q93.4Very high93.7Very high49 Ų4974.4 Ų74.423%0.22939%0.387CS..Hα-helixtrans-59.5-44174.8-75.9-179.2-29.400112.6E185 H261 R262 L267 Q268 Q269E185-Q265 PolarHBondContact OE1-NE2 3.41Å; E185-Q265 PolarHBondContact OE2-NE2 2.96Å; H261-Q265 PolarHBondContact NE2-NE2 3.29Å; H261-Q265 VanDerWaalsContact NE2-NE2 3.11Å; H261-Q265 VanDerWaalsContact O-CG 3.31Å; H261-Q265 WeakPolarHBondContact O-CG 3.47Å; H261-Q265 PolarHBondContact O-N 3.23Å; R262-Q265 PolarHBondContact O-N 3.37Å; Q265-L267 VanDerWaalsContact C-N 3.31Å; Q265-L267 PolarHBondContact O-N 3.26Å; Q265-Q268 PolarHBondContact O-N 2.97Å; Q265-Q269 WeakPolarHBondContact O-CB 3.49Å; Q265-Q269 PolarHBondContact O-N 2.9Å
266A93.4Very high93.3Very high62 Ų6273.1 Ų73.151%0.51238%0.384SS..Hα-helixtrans-63.3-39.5178.400000111.6R262 D263 E264 Q269 L270R262-A266 PolarHBondContact O-N 2.96Å; D263-A266 PolarHBondContact O-N 3.18Å; E264-A266 PolarHBondContact O-N 3.5Å; A266-Q269 PolarHBondContact O-N 3.38Å; A266-L270 PolarHBondContact O-N 3.2Å
267L94.2Very high92.9Very high95 Ų9567.5 Ų67.550%0.49736%0.36SS..Hα-helixtrans-65.2-49.1175.8-178.562.8000111.7D263 E264 Q265 Q269 L270 E271D263-L267 PolarHBondContact O-N 3.23Å; E264-L267 PolarHBondContact O-N 3.4Å; Q265-L267 VanDerWaalsContact C-N 3.31Å; Q265-L267 PolarHBondContact O-N 3.26Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.27Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 3.43Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L267-E271 WeakPolarHBondContact O-CG 3.32Å; L267-E271 PolarHBondContact O-N 2.99Å
268Q92.7Very high92.4Very high92 Ų9268 Ų6843%0.4336%0.364SS..Hα-helixtrans-59.4-38.6177.9-71.8176.83.800111.7E264 Q265 E271 A272E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 3.05Å; E264-Q268 PolarHBondContact OE1-NE2 3.43Å; Q265-Q268 PolarHBondContact O-N 2.97Å; Q268-E271 PolarHBondContact O-N 3.44Å; Q268-A272 WeakPolarHBondContact O-CB 3.36Å; Q268-A272 PolarHBondContact O-N 3.18Å
269Q92.6Very high91.8Very high38 Ų3871.5 Ų71.518%0.17838%0.382CS..Hα-helixtrans-67.1-39.8177-173.26177.400112.3Q265 A266 L267 A272 D273 R306Q265-Q269 WeakPolarHBondContact O-CB 3.49Å; Q265-Q269 PolarHBondContact O-N 2.9Å; A266-Q269 PolarHBondContact O-N 3.38Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.27Å; Q269-A272 PolarHBondContact O-N 2.83Å; Q269-D273 PolarHBondContact NE2-OD1 3.38Å; Q269-D273 PolarHBondContact O-N 3.48Å; Q269-R306 VanDerWaalsContact CD-NH1 3.28Å; Q269-R306 VanDerWaalsContact CG-NH1 3.27Å
270L91.8Very high91Very high85 Ų8572.1 Ų72.145%0.44539%0.385SS..Hα-helixtrans-64.6-42.1174.9178.364000111.6A266 L267 D273 C274 L299A266-L270 PolarHBondContact O-N 3.2Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 3.43Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L270-D273 PolarHBondContact O-N 3.16Å; L270-C274 PolarHBondContact O-N 3.33Å; L270-C274 PolarHBondContact O-SG 3.01Å; L270-L299 HydrophobicContact CD1-CD1 4.47Å; L270-L299 HydrophobicContact CD1-CD2 3.97Å
271E91.5Very high90.1Very high118 Ų11870 Ų7055%0.55137%0.374SS*.Hα-helixtrans-63.2-42.7176.2-72.3178.2171.800111.5L267 Q268 C274 A275L267-E271 WeakPolarHBondContact O-CG 3.32Å; L267-E271 PolarHBondContact O-N 2.99Å; Q268-E271 PolarHBondContact O-N 3.44Å; E271-C274 PolarHBondContact O-N 2.96Å; E271-A275 PolarHBondContact O-N 2.9Å
272A90.8Very high89.1Confident39 Ų3975 Ų7532%0.32240%0.397SS..Hα-helixtrans-61.3-43.2175.400000112.3Q268 Q269 A275 C276Q268-A272 WeakPolarHBondContact O-CB 3.36Å; Q268-A272 PolarHBondContact O-N 3.18Å; Q269-A272 PolarHBondContact O-N 2.83Å; A272-A275 PolarHBondContact O-N 3.29Å; A272-C276 PolarHBondContact O-N 3.01Å; A272-C276 VanDerWaalsContact O-N 3.08Å; A272-C276 PolarHBondContact O-SG 3.14Å
273D91.2Very high87.9Confident5 Ų576.2 Ų76.23%0.02741%0.409CS..Hα-helixtrans-62.1-46.5175.3-74.6-4.6000111.5Q269 L270 A275 C276 I277 L299 Y302 T303 R306Q269-D273 PolarHBondContact NE2-OD1 3.38Å; Q269-D273 PolarHBondContact O-N 3.48Å; L270-D273 PolarHBondContact O-N 3.16Å; D273-A275 VanDerWaalsContact C-N 3.28Å; D273-A275 PolarHBondContact O-N 2.82Å; D273-C276 PolarHBondContact O-N 3.38Å; D273-I277 WeakPolarHBondContact O-CD1 3.25Å; D273-I277 WeakPolarHBondContact O-CG1 3.31Å; D273-I277 PolarHBondContact O-N 3.26Å; D273-L299 HydrophobicContact CB-CD1 3.55Å; D273-Y302 HydrophobicContact CB-CD1 4.05Å; D273-Y302 HydrophobicContact CB-CE1 4.27Å; D273-Y302 WeakPolarHBondContact OD1-CE1 3.39Å; D273-T303 PolarHBondContact OD2-OG1 3.42Å; D273-R306 IonicContact OD1-CZ 3.71Å; D273-R306 IonicContact OD1-NH1 2.64Å; D273-R306 PolarHBondContact OD1-NH1 2.9Å; D273-R306 IonicContact OD2-CZ 3.57Å; D273-R306 IonicContact OD2-NH1 2.63Å; D273-R306 PolarHBondContact OD2-NH1 3.46Å; D273-R306 IonicContact OD2-NH2 3.98Å
274C89.6Confident86.4Confident60 Ų6077.3 Ų77.341%0.40541%0.41SS..Hα-helixtrans-57.3-42.1177.4-69.60000111.9L270 E271 I277 A278L270-C274 PolarHBondContact O-N 3.33Å; L270-C274 PolarHBondContact O-SG 3.01Å; E271-C274 PolarHBondContact O-N 2.96Å; C274-I277 PolarHBondContact O-N 3.19Å; C274-A278 WeakPolarHBondContact O-CB 3.34Å; C274-A278 PolarHBondContact O-N 3.4Å
275A88.7Confident84.7Confident50 Ų5074.4 Ų74.441%0.41341%0.409SS..Hα-helixtrans-63.1-46.4177.300000111.9E271 A272 D273 I277 A278 E279E271-A275 PolarHBondContact O-N 2.9Å; A272-A275 PolarHBondContact O-N 3.29Å; D273-A275 VanDerWaalsContact C-N 3.28Å; D273-A275 PolarHBondContact O-N 2.82Å; A275-I277 VanDerWaalsContact C-N 3.29Å; A275-I277 PolarHBondContact O-N 2.91Å; A275-A278 WeakPolarHBondContact O-CB 3.31Å; A275-A278 PolarHBondContact O-N 3.31Å; A275-E279 PolarHBondContact O-N 3.19Å
276C88.1Confident82.7Confident26 Ų2680.3 Ų80.318%0.17644%0.442CS..Hα-helixtrans-59.8-39.9178.5-660000112.3A272 D273 H280 Y302A272-C276 PolarHBondContact O-N 3.01Å; A272-C276 VanDerWaalsContact O-N 3.08Å; A272-C276 PolarHBondContact O-SG 3.14Å; D273-C276 PolarHBondContact O-N 3.38Å; C276-H280 PolarHBondContact O-N 3.17Å; C276-Y302 HydrophobicContact CB-CE1 3.94Å; C276-Y302 HydrophobicContact CB-CE2 3.99Å; C276-Y302 WeakPolarHBondContact CB-OH 3.36Å; C276-Y302 PolarHBondContact SG-OH 2.94Å; C276-Y302 VanDerWaalsContact SG-OH 3.38Å
277I88.3Confident80.7Confident16 Ų1681 Ų818%0.08246%0.455CS..Hα-helixtrans-71.3-39.8178.3-64.6150.4000111.1D273 C274 A275 E279 H280 L281 A298 L299 Y302D273-I277 WeakPolarHBondContact O-CD1 3.25Å; D273-I277 WeakPolarHBondContact O-CG1 3.31Å; D273-I277 PolarHBondContact O-N 3.26Å; C274-I277 PolarHBondContact O-N 3.19Å; A275-I277 VanDerWaalsContact C-N 3.29Å; A275-I277 PolarHBondContact O-N 2.91Å; I277-E279 VanDerWaalsContact C-N 3.29Å; I277-E279 PolarHBondContact O-N 3.09Å; I277-H280 PolarHBondContact O-N 3.43Å; I277-L281 HydrophobicContact CG2-CD1 3.72Å; I277-L281 HydrophobicContact CG2-CG 4.05Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 2.88Å; I277-A298 HydrophobicContact CG2-CB 4.05Å; I277-L299 HydrophobicContact CD1-CB 3.64Å; I277-L299 HydrophobicContact CD1-CD1 3.33Å; I277-L299 HydrophobicContact CD1-CG 4.08Å; I277-Y302 HydrophobicContact CD1-CG 4.39Å; I277-Y302 HydrophobicContact CG1-CD1 4.49Å; I277-Y302 HydrophobicContact CG1-CG 4.05Å
278A84.5Confident79Confident47 Ų4785.5 Ų85.539%0.38847%0.47SS..Hα-helixtrans-58.6-44.3177.200000110.9C274 A275 Q282C274-A278 WeakPolarHBondContact O-CB 3.34Å; C274-A278 PolarHBondContact O-N 3.4Å; A275-A278 WeakPolarHBondContact O-CB 3.31Å; A275-A278 PolarHBondContact O-N 3.31Å; A278-Q282 WeakPolarHBondContact O-CB 3.43Å; A278-Q282 VanDerWaalsContact O-CG 3.28Å; A278-Q282 WeakPolarHBondContact O-CG 3.47Å; A278-Q282 PolarHBondContact O-N 3.32Å
279E83.5Confident77.4Confident118 Ų11886.5 Ų86.555%0.55149%0.485SS*.Hα-helixtrans-61.4-47173.4-69.5179.6178.500111.5A275 I277 L281 Q282 H283A275-E279 PolarHBondContact O-N 3.19Å; I277-E279 VanDerWaalsContact C-N 3.29Å; I277-E279 PolarHBondContact O-N 3.09Å; E279-L281 PolarHBondContact O-N 2.96Å; E279-Q282 PolarHBondContact O-N 3.37Å; E279-H283 PolarHBondContact O-CD2 3.42Å; E279-H283 PolarHBondContact O-N 3.27Å
280H80.3Confident75.9Confident108 Ų10886 Ų8650%0.549%0.488SS..Hα-helixtrans-60.9-43.2-179.9-162.869.1000112.9C276 I277 H283 Q284C276-H280 PolarHBondContact O-N 3.17Å; I277-H280 PolarHBondContact O-N 3.43Å; H280-H283 PolarHBondContact O-N 3.08Å; H280-Q284 PolarHBondContact CE1-NE2 2.91Å; H280-Q284 PolarHBondContact NE2-NE2 2.93Å; H280-Q284 WeakPolarHBondContact O-CG 3.3Å; H280-Q284 PolarHBondContact O-N 2.94Å
281L77.8Confident75Confident58 Ų5887 Ų8730%0.30449%0.493SS..Hα-helixtrans-70.5-32.4178.5-69.7176000112.5I277 E279 G285 A290 R295I277-L281 HydrophobicContact CG2-CD1 3.72Å; I277-L281 HydrophobicContact CG2-CG 4.05Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 2.88Å; E279-L281 PolarHBondContact O-N 2.96Å; L281-G285 WeakPolarHBondContact O-CA 3.49Å; L281-G285 PolarHBondContact O-N 3.14Å; L281-A290 HydrophobicContact CD1-CB 4.41Å; L281-R295 HydrophobicContact CD1-CG 4.37Å
282Q73.4Confident74.2Confident151 Ų15184.8 Ų84.871%0.70650%0.495SS*.Hα-helixtrans-65.3-39.7171.8-77176.85.300111.5A278 E279A278-Q282 WeakPolarHBondContact O-CB 3.43Å; A278-Q282 VanDerWaalsContact O-CG 3.28Å; A278-Q282 WeakPolarHBondContact O-CG 3.47Å; A278-Q282 PolarHBondContact O-N 3.32Å; E279-Q282 PolarHBondContact O-N 3.37Å
283H69.1Low73.7Confident165 Ų16588.7 Ų88.776%0.76451%0.507SS*.Hα-helixtrans-72.7-27.1177.8-75.2-62.1000114E279 H280E279-H283 PolarHBondContact O-CD2 3.42Å; E279-H283 PolarHBondContact O-N 3.27Å; H280-H283 PolarHBondContact O-N 3.08Å
284Q65.8Low73.1Confident134 Ų13496.8 Ų96.863%0.62654%0.537SS*.Hα-helixtrans-95.3-14178.7-69.9-173.9-13.300114.5H280H280-Q284 PolarHBondContact CE1-NE2 2.91Å; H280-Q284 PolarHBondContact NE2-NE2 2.93Å; H280-Q284 WeakPolarHBondContact O-CG 3.3Å; H280-Q284 PolarHBondContact O-N 2.94Å
285G57.9Low72.7Confident46 Ų46100.1 Ų100.147%0.47454%0.541SS..  trans-96.8129-165.200000116L281 G287L281-G285 WeakPolarHBondContact O-CA 3.49Å; L281-G285 PolarHBondContact O-N 3.14Å; G285-G287 PolarHBondContact O-N 3.32Å
286N52.6Low72.5Confident173 Ų173103.4 Ų103.493%0.92555%0.548SS*.SBendtrans-77.836.8173.4-136.90.1000113.4K288N286-K288 PolarHBondContact O-N 3.46Å
287G51.1Low72.5Confident76 Ų76106.9 Ų106.978%0.78456%0.562SS**SBendtrans78.47.6175.700000117.9G285G285-G287 PolarHBondContact O-N 3.32Å
288K57.1Low72.4Confident190 Ų190107.7 Ų107.783%0.82657%0.571SS**PPolyproline II helixtrans-97.8133.2175.2-72.7-174.5179.3-179.60111.8N286 A290N286-K288 PolarHBondContact O-N 3.46Å; K288-A290 PolarHBondContact O-N 3.06Å
289P59.1Low72.7Confident114 Ų114107.1 Ų107.174%0.7456%0.561SS**PPolyproline II helixtrans-61126175.9-9.619.3000110.2D291P289-D291 PolarHBondContact O-N 3.05Å
290A63Low73.1Confident28 Ų28106.9 Ų106.923%0.23156%0.56CS.*PPolyproline II helixtrans-63.3134.717100000109.9L281 K288 R295L281-A290 HydrophobicContact CD1-CB 4.41Å; K288-A290 PolarHBondContact O-N 3.06Å; A290-R295 HydrophobicContact CB-CG 3.96Å; A290-R295 PolarHBondContact O-NE 3.38Å; A290-R295 PolarHBondContact O-NH2 3.03Å
291D72.6Confident73.6Confident105 Ų105108.5 Ų108.556%0.56157%0.567SS**PPolyproline II helixtrans-60.1150.2173.4-170.29.6000110.9P289 Q293 R294 R295P289-D291 PolarHBondContact O-N 3.05Å; D291-Q293 PolarHBondContact O-N 3.5Å; D291-R294 PolarHBondContact O-N 3.39Å; D291-R294 VanDerWaalsContact O-N 3.07Å; D291-R295 PolarHBondContact O-N 3.22Å
292A74.2Confident74.3Confident72 Ų72107.3 Ų107.360%0.59556%0.559SS**Hα-helixtrans-56.2-40.6-17400000112R294 R295 Q296A292-R294 PolarHBondContact O-N 3.18Å; A292-R295 PolarHBondContact O-N 3.08Å; A292-Q296 PolarHBondContact O-N 3.19Å; A292-Q296 VanDerWaalsContact O-N 3.11Å
293Q79.6Confident75.3Confident120 Ų120101.6 Ų101.656%0.56153%0.534SS*.Hα-helixtrans-62.5-42.8177.8-172.2177.5-16.200112.3D291 R295 Q296 E297D291-Q293 PolarHBondContact O-N 3.5Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.35Å; Q293-Q296 PolarHBondContact O-N 3.44Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.43Å; Q293-E297 PolarHBondContact NE2-OE1 3.06Å; Q293-E297 VanDerWaalsContact NE2-OE1 3.08Å; Q293-E297 WeakPolarHBondContact O-CG 3.49Å; Q293-E297 PolarHBondContact O-N 3.33Å
294R79.7Confident76.5Confident176 Ų17697.3 Ų97.366%0.66452%0.519SS*.Hα-helixtrans-65.6-34.2178.3-70.7-174.7-175.5171.51.8112.8D291 A292 A298D291-R294 PolarHBondContact O-N 3.39Å; D291-R294 VanDerWaalsContact O-N 3.07Å; A292-R294 PolarHBondContact O-N 3.18Å; R294-A298 VanDerWaalsContact O-CB 3.3Å; R294-A298 WeakPolarHBondContact O-CB 3.35Å; R294-A298 PolarHBondContact O-N 3.31Å
295R80.2Confident77.9Confident130 Ų13092 Ų9249%0.49150%0.498SS..Hα-helixtrans-68.4-40.3175.6-63.7-177.7-162-172.62.5111.3L281 A290 D291 A292 Q293 A298 L299L281-R295 HydrophobicContact CD1-CG 4.37Å; A290-R295 HydrophobicContact CB-CG 3.96Å; A290-R295 PolarHBondContact O-NE 3.38Å; A290-R295 PolarHBondContact O-NH2 3.03Å; D291-R295 PolarHBondContact O-N 3.22Å; A292-R295 PolarHBondContact O-N 3.08Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.35Å; R295-A298 PolarHBondContact O-N 3.34Å; R295-L299 WeakPolarHBondContact O-CB 3.46Å; R295-L299 PolarHBondContact O-N 2.97Å
296Q84.9Confident79.7Confident118 Ų11890.9 Ų90.955%0.55148%0.48SS*.Hα-helixtrans-65.2-44177-174.1174.91.600111.8A292 Q293 L299 Q300A292-Q296 PolarHBondContact O-N 3.19Å; A292-Q296 VanDerWaalsContact O-N 3.11Å; Q293-Q296 PolarHBondContact O-N 3.44Å; Q296-L299 PolarHBondContact O-N 2.99Å; Q296-Q300 WeakPolarHBondContact O-CG 3.36Å; Q296-Q300 PolarHBondContact O-N 3.45Å
297E87.4Confident81.8Confident100 Ų10087.4 Ų87.447%0.46746%0.458SS..Hα-helixtrans-62.4-44.3175.1-72168.7-173.200111.7Q293 L299 Q300 H301Q293-E297 WeakPolarHBondContact CG-OE1 3.43Å; Q293-E297 PolarHBondContact NE2-OE1 3.06Å; Q293-E297 VanDerWaalsContact NE2-OE1 3.08Å; Q293-E297 WeakPolarHBondContact O-CG 3.49Å; Q293-E297 PolarHBondContact O-N 3.33Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.09Å; E297-Q300 PolarHBondContact O-N 3.36Å; E297-H301 WeakPolarHBondContact O-CB 3.43Å; E297-H301 PolarHBondContact O-N 2.78Å
298A87.8Confident83.9Confident33 Ų3389.5 Ų89.527%0.27345%0.447SS..Hα-helixtrans-62.1-37.4175.800000112.5I277 R294 R295 Y302I277-A298 HydrophobicContact CG2-CB 4.05Å; R294-A298 VanDerWaalsContact O-CB 3.3Å; R294-A298 WeakPolarHBondContact O-CB 3.35Å; R294-A298 PolarHBondContact O-N 3.31Å; R295-A298 PolarHBondContact O-N 3.34Å; A298-Y302 WeakPolarHBondContact O-CB 3.48Å; A298-Y302 PolarHBondContact O-N 2.77Å
299L90.1Very high85.9Confident35 Ų3582.4 Ų82.418%0.18342%0.416CS..Hα-helixtrans-63.9-50.9175.2177.362.9000112.6L270 D273 I277 R295 Q296 E297 H301 Y302 T303L270-L299 HydrophobicContact CD1-CD1 4.47Å; L270-L299 HydrophobicContact CD1-CD2 3.97Å; D273-L299 HydrophobicContact CB-CD1 3.55Å; I277-L299 HydrophobicContact CD1-CB 3.64Å; I277-L299 HydrophobicContact CD1-CD1 3.33Å; I277-L299 HydrophobicContact CD1-CG 4.08Å; R295-L299 WeakPolarHBondContact O-CB 3.46Å; R295-L299 PolarHBondContact O-N 2.97Å; Q296-L299 PolarHBondContact O-N 2.99Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.09Å; L299-H301 VanDerWaalsContact C-N 3.3Å; L299-H301 PolarHBondContact O-N 3.38Å; L299-Y302 PolarHBondContact O-N 3.31Å; L299-Y302 VanDerWaalsContact O-N 3.16Å; L299-T303 WeakPolarHBondContact O-CB 3.49Å; L299-T303 PolarHBondContact O-N 2.64Å; L299-T303 PolarHBondContact O-OG1 3.36Å; L299-T303 VanDerWaalsContact O-OG1 3.06Å
300Q90.9Very high87.7Confident113 Ų11378.1 Ų78.153%0.52839%0.387SS..Hα-helixtrans-57.2-45.7177-71.3174-14.500111.6Q296 E297 Y302 T303 V304Q296-Q300 WeakPolarHBondContact O-CG 3.36Å; Q296-Q300 PolarHBondContact O-N 3.45Å; E297-Q300 PolarHBondContact O-N 3.36Å; Q300-Y302 PolarHBondContact O-N 2.93Å; Q300-T303 PolarHBondContact O-N 3.3Å; Q300-V304 WeakPolarHBondContact O-CG2 3.49Å; Q300-V304 PolarHBondContact O-N 2.91Å; Q300-V304 VanDerWaalsContact O-N 3.09Å
301H92.6Very high89.3Confident142 Ų14282.6 Ų82.666%0.65740%0.403SS*.Hα-helixtrans-62.7-42.2177.7-176-80.4000112.3E297 L299 A305E297-H301 WeakPolarHBondContact O-CB 3.43Å; E297-H301 PolarHBondContact O-N 2.78Å; L299-H301 VanDerWaalsContact C-N 3.3Å; L299-H301 PolarHBondContact O-N 3.38Å; H301-A305 WeakPolarHBondContact O-CB 3.27Å; H301-A305 PolarHBondContact O-N 2.8Å
302Y92.3Very high90.5Very high33 Ų3382.2 Ų82.213%0.12940%0.401CS..Hα-helixtrans-64.8-45.3178.1-177.3-92.9000112.3S181 D273 C276 I277 A298 L299 Q300 V304 A305 R306S181-Y302 PolarHBondContact OG-OH 3.01Å; D273-Y302 HydrophobicContact CB-CD1 4.05Å; D273-Y302 HydrophobicContact CB-CE1 4.27Å; D273-Y302 WeakPolarHBondContact OD1-CE1 3.39Å; C276-Y302 HydrophobicContact CB-CE1 3.94Å; C276-Y302 HydrophobicContact CB-CE2 3.99Å; C276-Y302 WeakPolarHBondContact CB-OH 3.36Å; C276-Y302 PolarHBondContact SG-OH 2.94Å; C276-Y302 VanDerWaalsContact SG-OH 3.38Å; I277-Y302 HydrophobicContact CD1-CG 4.39Å; I277-Y302 HydrophobicContact CG1-CD1 4.49Å; I277-Y302 HydrophobicContact CG1-CG 4.05Å; A298-Y302 WeakPolarHBondContact O-CB 3.48Å; A298-Y302 PolarHBondContact O-N 2.77Å; L299-Y302 PolarHBondContact O-N 3.31Å; L299-Y302 VanDerWaalsContact O-N 3.16Å; Q300-Y302 PolarHBondContact O-N 2.93Å; Y302-V304 PolarHBondContact O-N 3.34Å; Y302-A305 PolarHBondContact O-N 3.34Å; Y302-R306 WeakPolarHBondContact O-CB 3.3Å; Y302-R306 PolarHBondContact O-N 3.47Å
303T93.3Very high91.7Very high31 Ų3178.8 Ų78.819%0.1937%0.373CS..Hα-helixtrans-58.4-48178.4-61.80000110.9D273 L299 Q300 R306 E307D273-T303 PolarHBondContact OD2-OG1 3.42Å; L299-T303 WeakPolarHBondContact O-CB 3.49Å; L299-T303 PolarHBondContact O-N 2.64Å; L299-T303 PolarHBondContact O-OG1 3.36Å; L299-T303 VanDerWaalsContact O-OG1 3.06Å; Q300-T303 PolarHBondContact O-N 3.3Å; T303-R306 PolarHBondContact O-N 3.23Å; T303-E307 WeakPolarHBondContact O-CG 3.49Å; T303-E307 PolarHBondContact O-N 2.91Å
304V95.1Very high92.6Very high74 Ų7474.4 Ų74.445%0.44835%0.353SS..Hα-helixtrans-60.7-48.4176.5172.90000111Q300 Y302 R306 E307 E308Q300-V304 WeakPolarHBondContact O-CG2 3.49Å; Q300-V304 PolarHBondContact O-N 2.91Å; Q300-V304 VanDerWaalsContact O-N 3.09Å; Y302-V304 PolarHBondContact O-N 3.34Å; V304-R306 VanDerWaalsContact C-N 3.27Å; V304-R306 PolarHBondContact O-N 3.4Å; V304-E307 PolarHBondContact O-N 2.88Å; V304-E307 VanDerWaalsContact O-N 3.15Å; V304-E308 WeakPolarHBondContact O-CG 3.49Å; V304-E308 PolarHBondContact O-N 3.38Å
305A95Very high93.4Very high22 Ų2272.7 Ų72.718%0.18235%0.353CS..Hα-helixtrans-63.3-32.4179.700000112.8H301 Y302 R309H301-A305 WeakPolarHBondContact O-CB 3.27Å; H301-A305 PolarHBondContact O-N 2.8Å; Y302-A305 PolarHBondContact O-N 3.34Å; A305-R309 WeakPolarHBondContact O-CG 3.28Å; A305-R309 PolarHBondContact O-N 3.16Å; A305-R309 PolarHBondContact O-NH1 3.43Å
306R95.3Very high94.2Very high23 Ų2368 Ų689%0.08734%0.342CS..Hα-helixtrans-67.8-46.5173.5-178.6-157.467.1-148.2-6.6110.6D182 Q269 D273 Y302 T303 V304 E308 R309 V310D182-R306 HydrophobicContact CB-CG 4.29Å; Q269-R306 VanDerWaalsContact CD-NH1 3.28Å; Q269-R306 VanDerWaalsContact CG-NH1 3.27Å; D273-R306 IonicContact OD1-CZ 3.71Å; D273-R306 IonicContact OD1-NH1 2.64Å; D273-R306 PolarHBondContact OD1-NH1 2.9Å; D273-R306 IonicContact OD2-CZ 3.57Å; D273-R306 IonicContact OD2-NH1 2.63Å; D273-R306 PolarHBondContact OD2-NH1 3.46Å; D273-R306 IonicContact OD2-NH2 3.98Å; Y302-R306 WeakPolarHBondContact O-CB 3.3Å; Y302-R306 PolarHBondContact O-N 3.47Å; T303-R306 PolarHBondContact O-N 3.23Å; V304-R306 VanDerWaalsContact C-N 3.27Å; V304-R306 PolarHBondContact O-N 3.4Å; R306-E308 VanDerWaalsContact C-N 3.32Å; R306-E308 PolarHBondContact O-N 3.22Å; R306-R309 PolarHBondContact O-N 3.36Å; R306-V310 HydrophobicContact CG-CG2 4.47Å; R306-V310 WeakPolarHBondContact O-CB 3.34Å; R306-V310 WeakPolarHBondContact O-CG2 3.43Å; R306-V310 PolarHBondContact O-N 3.02Å
307E95.8Very high94.8Very high100 Ų10062.5 Ų62.547%0.46732%0.316SS..Hα-helixtrans-59.2-43.6178-73.8172.9-175.400111.6T303 V304 V310 Q311T303-E307 WeakPolarHBondContact O-CG 3.49Å; T303-E307 PolarHBondContact O-N 2.91Å; V304-E307 PolarHBondContact O-N 2.88Å; V304-E307 VanDerWaalsContact O-N 3.15Å; E307-V310 PolarHBondContact O-N 2.98Å; E307-Q311 VanDerWaalsContact O-CG 3.31Å; E307-Q311 WeakPolarHBondContact O-CG 3.34Å; E307-Q311 PolarHBondContact O-N 3.49Å
308E97.2Very high95.1Very high120 Ų12063.8 Ų63.856%0.56132%0.32SS*.Hα-helixtrans-58.6-51.2174.4-71.8176.4168.900112V304 R306 V310 Q311 D312V304-E308 WeakPolarHBondContact O-CG 3.49Å; V304-E308 PolarHBondContact O-N 3.38Å; R306-E308 VanDerWaalsContact C-N 3.32Å; R306-E308 PolarHBondContact O-N 3.22Å; E308-V310 VanDerWaalsContact C-N 3.31Å; E308-V310 PolarHBondContact O-N 2.86Å; E308-Q311 PolarHBondContact O-N 3.18Å; E308-Q311 VanDerWaalsContact O-N 3.16Å; E308-D312 PolarHBondContact O-N 3.07Å
309R97.3Very high95.5Very high42 Ų4268.4 Ų68.416%0.15834%0.336CS..Hα-helixtrans-56.8-44.3176.7-75-168.9-54.5-79.22.7112.5I178 D182 A305 R306 D312 F313I178-R309 HydrophobicContact CG2-CB 4.46Å; D182-R309 IonicContact OD1-CZ 3.67Å; D182-R309 IonicContact OD1-NE 3.73Å; D182-R309 IonicContact OD1-NH2 2.77Å; D182-R309 PolarHBondContact OD1-NH2 3.04Å; D182-R309 IonicContact OD2-CZ 3.49Å; D182-R309 IonicContact OD2-NE 2.78Å; D182-R309 PolarHBondContact OD2-NE 3.42Å; D182-R309 IonicContact OD2-NH2 3.36Å; D182-R309 PolarHBondContact OD2-NH2 3.32Å; A305-R309 WeakPolarHBondContact O-CG 3.28Å; A305-R309 PolarHBondContact O-N 3.16Å; A305-R309 PolarHBondContact O-NH1 3.43Å; R306-R309 PolarHBondContact O-N 3.36Å; R309-D312 PolarHBondContact O-N 2.96Å; R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.14Å
310V97.5Very high95.7Very high23 Ų2370.8 Ų70.814%0.13935%0.345CS..Hα-helixtrans-62.5-45.3178.1165.90000110.6D182 L187 R306 E307 E308 F313 L314D182-V310 HydrophobicContact CB-CG2 4.4Å; L187-V310 HydrophobicContact CD1-CG1 3.86Å; L187-V310 HydrophobicContact CD2-CG2 4.5Å; R306-V310 HydrophobicContact CG-CG2 4.47Å; R306-V310 WeakPolarHBondContact O-CB 3.34Å; R306-V310 WeakPolarHBondContact O-CG2 3.43Å; R306-V310 PolarHBondContact O-N 3.02Å; E307-V310 PolarHBondContact O-N 2.98Å; E308-V310 VanDerWaalsContact C-N 3.31Å; E308-V310 PolarHBondContact O-N 2.86Å; V310-F313 PolarHBondContact O-N 2.87Å; V310-L314 HydrophobicContact CG1-CD1 3.94Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 2.63Å
311Q97.6Very high95.8Very high123 Ų12368 Ų6858%0.57533%0.33SS*.Hα-helixtrans-62.5-44.8178.4-71.4-58.4-41.500112.3E307 E308 F313 L314 Q315E307-Q311 VanDerWaalsContact O-CG 3.31Å; E307-Q311 WeakPolarHBondContact O-CG 3.34Å; E307-Q311 PolarHBondContact O-N 3.49Å; E308-Q311 PolarHBondContact O-N 3.18Å; E308-Q311 VanDerWaalsContact O-N 3.16Å; Q311-F313 VanDerWaalsContact C-N 3.32Å; Q311-F313 PolarHBondContact O-N 3.06Å; Q311-L314 PolarHBondContact O-N 3.32Å; Q311-Q315 WeakPolarHBondContact O-CB 3.2Å; Q311-Q315 PolarHBondContact O-N 3.45Å
312D97.5Very high95.7Very high96 Ų9665.4 Ų65.451%0.51332%0.32SS..Hα-helixtrans-59.9-44.2177.4-72.5-16.6000111.4E308 R309 Q315 A316E308-D312 PolarHBondContact O-N 3.07Å; R309-D312 PolarHBondContact O-N 2.96Å; D312-Q315 PolarHBondContact O-N 3.4Å; D312-A316 WeakPolarHBondContact O-CB 3.4Å; D312-A316 PolarHBondContact O-N 3.05Å
313F98.4Very high95.7Very high0 Ų065.8 Ų65.80%033%0.326CS..Hα-helixtrans-62.1-45.6174.9164.5-104.3000112.6E168 M169 W171 L177 I178 L187 C191 R309 V310 Q311 Q315 A316 L317E168-F313 WeakPolarHBondContact O-CE2 3.5Å; E168-F313 WeakPolarHBondContact O-CZ 3.44Å; M169-F313 HydrophobicContact CG-CZ 4.41Å; W171-F313 HydrophobicContact CE3-CD2 4.48Å; W171-F313 AromaticContact CE3-CE2 3.83Å; W171-F313 HydrophobicContact CE3-CE2 3.83Å; W171-F313 HydrophobicContact CZ3-CD2 4.12Å; W171-F313 AromaticContact CZ3-CE2 3.81Å; W171-F313 HydrophobicContact CZ3-CE2 3.81Å; L177-F313 HydrophobicContact CB-CB 4.04Å; L177-F313 HydrophobicContact CB-CD2 4.29Å; L177-F313 HydrophobicContact CD1-CD2 4.21Å; I178-F313 HydrophobicContact CD1-CD1 4.32Å; I178-F313 HydrophobicContact CD1-CD2 4.42Å; I178-F313 HydrophobicContact CD1-CE1 4.36Å; I178-F313 HydrophobicContact CD1-CE2 4.47Å; I178-F313 HydrophobicContact CD1-CG 4.34Å; I178-F313 HydrophobicContact CD1-CZ 4.43Å; I178-F313 HydrophobicContact CG1-CD2 4.44Å; I178-F313 HydrophobicContact CG1-CG 4.44Å; I178-F313 HydrophobicContact CG2-CB 3.55Å; I178-F313 HydrophobicContact CG2-CD1 4.25Å; I178-F313 HydrophobicContact CG2-CG 3.91Å; L187-F313 HydrophobicContact CD1-CD1 3.97Å; L187-F313 HydrophobicContact CD1-CE1 3.94Å; L187-F313 HydrophobicContact CG-CE1 4.48Å; C191-F313 VanDerWaalsContact SG-CE1 3.58Å; R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.14Å; V310-F313 PolarHBondContact O-N 2.87Å; Q311-F313 VanDerWaalsContact C-N 3.32Å; Q311-F313 PolarHBondContact O-N 3.06Å; F313-Q315 VanDerWaalsContact C-N 3.28Å; F313-Q315 PolarHBondContact O-N 3.06Å; F313-A316 PolarHBondContact O-N 3.44Å; F313-L317 HydrophobicContact CE1-CD2 4.32Å; F313-L317 HydrophobicContact CZ-CD2 4.12Å; F313-L317 WeakPolarHBondContact O-CB 3.31Å; F313-L317 PolarHBondContact O-N 2.86Å
314L98Very high95.5Very high29 Ų2967.3 Ų67.315%0.15233%0.33CS..Hα-helixtrans-63.7-35.9178.5-69.7179.1000111.7L187 E190 V310 Q311 L317 K318L187-L314 HydrophobicContact CD1-CD2 4.05Å; L187-L314 HydrophobicContact CD1-CG 4.43Å; E190-L314 HydrophobicContact CB-CD1 4.1Å; E190-L314 HydrophobicContact CB-CD2 3.57Å; E190-L314 HydrophobicContact CG-CD1 4.09Å; E190-L314 HydrophobicContact CG-CD2 4.46Å; V310-L314 HydrophobicContact CG1-CD1 3.94Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 2.63Å; Q311-L314 PolarHBondContact O-N 3.32Å; L314-L317 PolarHBondContact O-N 3.04Å; L314-K318 VanDerWaalsContact O-CB 3.3Å; L314-K318 WeakPolarHBondContact O-CB 3.47Å; L314-K318 PolarHBondContact O-N 3.25Å
315Q97.3Very high95.3Very high139 Ų13965.5 Ų65.565%0.6532%0.316SS*.Hα-helixtrans-66.5-43.5174.4-168.71765.500111.5Q311 D312 F313 K318 H319Q311-Q315 WeakPolarHBondContact O-CB 3.2Å; Q311-Q315 PolarHBondContact O-N 3.45Å; D312-Q315 PolarHBondContact O-N 3.4Å; F313-Q315 VanDerWaalsContact C-N 3.28Å; F313-Q315 PolarHBondContact O-N 3.06Å; Q315-K318 PolarHBondContact O-N 3.26Å; Q315-H319 WeakPolarHBondContact O-CB 3.36Å; Q315-H319 PolarHBondContact O-N 3.46Å
316A97.4Very high95Very high32 Ų3267.3 Ų67.326%0.26433%0.325SS..Hα-helixtrans-63.6-42.6175.400000112W171 L177 D312 F313 H319 K320W171-A316 HydrophobicContact CH2-CB 4.11Å; L177-A316 HydrophobicContact CD1-CB 3.88Å; D312-A316 WeakPolarHBondContact O-CB 3.4Å; D312-A316 PolarHBondContact O-N 3.05Å; F313-A316 PolarHBondContact O-N 3.44Å; A316-H319 PolarHBondContact O-N 3.49Å; A316-K320 WeakPolarHBondContact O-CB 3.37Å; A316-K320 PolarHBondContact O-N 3.29Å
317L96.9Very high94.8Very high3 Ų370 Ų702%0.01634%0.341CS..Hα-helixtrans-63.4-43.2176.3178.459.1000111.5E168 C191 F313 L314 K320 R321E168-L317 HydrophobicContact CB-CD1 4.03Å; E168-L317 HydrophobicContact CB-CD2 4.37Å; E168-L317 HydrophobicContact CG-CD1 3.84Å; E168-L317 VanDerWaalsContact OE2-CD1 3.3Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.37Å; C191-L317 HydrophobicContact CB-CD2 4.39Å; F313-L317 HydrophobicContact CE1-CD2 4.32Å; F313-L317 HydrophobicContact CZ-CD2 4.12Å; F313-L317 WeakPolarHBondContact O-CB 3.31Å; F313-L317 PolarHBondContact O-N 2.86Å; L314-L317 PolarHBondContact O-N 3.04Å; L317-K320 HydrophobicContact CD1-CD 4.5Å; L317-K320 WeakPolarHBondContact O-CB 3.3Å; L317-K320 PolarHBondContact O-N 2.97Å; L317-R321 WeakPolarHBondContact O-CG 3.42Å; L317-R321 PolarHBondContact O-N 2.91Å
318K94.9Very high94.5Very high126 Ų12666 Ų6655%0.54832%0.323SS..Hα-helixtrans-60.4-46.4174.5-177.6175.9179.6177.60111.1L314 Q315 K320 R321 D322L314-K318 VanDerWaalsContact O-CB 3.3Å; L314-K318 WeakPolarHBondContact O-CB 3.47Å; L314-K318 PolarHBondContact O-N 3.25Å; Q315-K318 PolarHBondContact O-N 3.26Å; K318-K320 VanDerWaalsContact C-N 3.34Å; K318-K320 PolarHBondContact O-N 3.4Å; K318-R321 PolarHBondContact O-N 2.95Å; K318-D322 PolarHBondContact O-N 2.91Å
319H95.1Very high93.9Very high130 Ų13061.7 Ų61.760%0.60231%0.306SS*.Hα-helixtrans-58.9-45.1176.2-178.964.9000111.9Q315 A316 R321 D322 T323Q315-H319 WeakPolarHBondContact O-CB 3.36Å; Q315-H319 PolarHBondContact O-N 3.46Å; A316-H319 PolarHBondContact O-N 3.49Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3.28Å; H319-D322 PolarHBondContact O-N 2.95Å; H319-T323 WeakPolarHBondContact O-CB 3.49Å; H319-T323 PolarHBondContact O-N 3.15Å; H319-T323 PolarHBondContact O-OG1 3.01Å
320K93.9Very high92.6Very high86 Ų8662.7 Ų62.737%0.37432%0.319SS..Hα-helixtrans-56.4-44175.3-176.4-169.8178.4-163.90112.1E168 A316 L317 K318 F324E168-K320 IonicContact OE1-NZ 2.72Å; E168-K320 PolarHBondContact OE1-NZ 3.29Å; E168-K320 IonicContact OE2-NZ 2.66Å; E168-K320 PolarHBondContact OE2-NZ 3.21Å; A316-K320 WeakPolarHBondContact O-CB 3.37Å; A316-K320 PolarHBondContact O-N 3.29Å; L317-K320 HydrophobicContact CD1-CD 4.5Å; L317-K320 WeakPolarHBondContact O-CB 3.3Å; L317-K320 PolarHBondContact O-N 2.97Å; K318-K320 VanDerWaalsContact C-N 3.34Å; K318-K320 PolarHBondContact O-N 3.4Å; K320-F324 PolarHBondContact O-N 3.31Å
321R93.1Very high90.8Very high55 Ų5567 Ų6721%0.20834%0.338CS..Hα-helixtrans-69-44.2178.8-72171174.2-169.4-5.7112.8C191 L192 S195 L317 K318 H319 T323 F324 F325C191-R321 VanDerWaalsContact C-NH2 3.32Å; C191-R321 PolarHBondContact O-NH2 3.24Å; L192-R321 PolarHBondContact O-NH1 2.92Å; L192-R321 VanDerWaalsContact O-NH1 3.17Å; L192-R321 PolarHBondContact O-NH2 3.45Å; S195-R321 PolarHBondContact OG-NH1 3.11Å; S195-R321 VanDerWaalsContact OG-NH1 3.14Å; L317-R321 WeakPolarHBondContact O-CG 3.42Å; L317-R321 PolarHBondContact O-N 2.91Å; K318-R321 PolarHBondContact O-N 2.95Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3.28Å; R321-T323 VanDerWaalsContact C-N 3.31Å; R321-T323 PolarHBondContact O-N 2.99Å; R321-F324 WeakPolarHBondContact O-CB 3.36Å; R321-F324 PolarHBondContact O-N 3.4Å; R321-F325 WeakPolarHBondContact O-CD2 3.48Å
322D90Very high88.6Confident87 Ų8763 Ų6347%0.46532%0.322SS..Hα-helixtrans-64.2-40.6179.3-73.1-16.4000110.6K318 H319 F324 F325 T326K318-D322 PolarHBondContact O-N 2.91Å; H319-D322 PolarHBondContact O-N 2.95Å; D322-F324 VanDerWaalsContact C-N 3.29Å; D322-F324 PolarHBondContact O-N 3.16Å; D322-F325 PolarHBondContact O-N 3.35Å; D322-T326 PolarHBondContact O-N 3.03Å; D322-T326 VanDerWaalsContact O-N 3.08Å; D322-T326 PolarHBondContact O-OG1 3.46Å
323T92.2Very high86Confident41 Ų4164.2 Ų64.225%0.25233%0.333SS..Hα-helixtrans-60.3-36.2177.3-63.70000112.6H319 R321 F325 T326 N327H319-T323 WeakPolarHBondContact O-CB 3.49Å; H319-T323 PolarHBondContact O-N 3.15Å; H319-T323 PolarHBondContact O-OG1 3.01Å; R321-T323 VanDerWaalsContact C-N 3.31Å; R321-T323 PolarHBondContact O-N 2.99Å; T323-F325 PolarHBondContact O-N 2.9Å; T323-T326 VanDerWaalsContact CA-OG1 3.3Å; T323-T326 WeakPolarHBondContact CA-OG1 3.41Å; T323-T326 PolarHBondContact O-N 3.29Å; T323-T326 PolarHBondContact O-OG1 2.93Å; T323-T326 VanDerWaalsContact O-OG1 3.11Å; T323-N327 WeakPolarHBondContact CG2-ND2 3.41Å; T323-N327 VanDerWaalsContact O-CB 3.3Å; T323-N327 WeakPolarHBondContact O-CB 3.47Å; T323-N327 PolarHBondContact O-N 2.93Å; T323-N327 PolarHBondContact O-OD1 3.02Å
324F90.8Very high83.1Confident62 Ų6271.8 Ų71.827%0.27237%0.372SS..Hα-helixtrans-56.2-50.7176.1174.9-95.8000111.8L124 N125 K320 R321 D322 L328L124-F324 HydrophobicContact CB-CE1 4.31Å; L124-F324 HydrophobicContact CB-CZ 4.24Å; L124-F324 HydrophobicContact CD1-CE1 4.19Å; N125-F324 WeakPolarHBondContact OD1-CE2 3.49Å; K320-F324 PolarHBondContact O-N 3.31Å; R321-F324 WeakPolarHBondContact O-CB 3.36Å; R321-F324 PolarHBondContact O-N 3.4Å; D322-F324 VanDerWaalsContact C-N 3.29Å; D322-F324 PolarHBondContact O-N 3.16Å; F324-L328 HydrophobicContact CD1-CD1 4.11Å; F324-L328 HydrophobicContact CE1-CD1 3.55Å; F324-L328 HydrophobicContact CE2-CD1 4.16Å; F324-L328 HydrophobicContact CZ-CD1 3.59Å; F324-L328 WeakPolarHBondContact O-CG 3.49Å; F324-L328 PolarHBondContact O-N 3.09Å
325F90.1Very high80.1Confident37 Ų3778.6 Ų78.616%0.16242%0.415CS..Hα-helixtrans-71.7-37.3-179.1-68.1-68.9000112.5L124 A136 V139 V140 R321 D322 T323 C329L124-F325 HydrophobicContact CD1-CE1 3.67Å; L124-F325 HydrophobicContact CD1-CZ 3.9Å; A136-F325 HydrophobicContact CB-CB 4.44Å; A136-F325 HydrophobicContact CB-CD1 3.89Å; V139-F325 HydrophobicContact CB-CD1 4.48Å; V139-F325 HydrophobicContact CB-CE1 4.49Å; V139-F325 HydrophobicContact CG1-CD2 4.44Å; V139-F325 HydrophobicContact CG1-CE1 4.48Å; V139-F325 HydrophobicContact CG1-CE2 4.42Å; V139-F325 HydrophobicContact CG1-CG 4.47Å; V139-F325 HydrophobicContact CG1-CZ 4.44Å; V139-F325 HydrophobicContact CG2-CE1 4.36Å; V140-F325 HydrophobicContact CG2-CB 3.92Å; R321-F325 WeakPolarHBondContact O-CD2 3.48Å; D322-F325 PolarHBondContact O-N 3.35Å; T323-F325 PolarHBondContact O-N 2.9Å; F325-C329 PolarHBondContact O-N 3.49Å; F325-C329 PolarHBondContact O-SG 3.25Å; F325-C329 VanDerWaalsContact O-SG 3.37Å
326T88.6Confident79.2Confident59 Ų5975.6 Ų75.636%0.36240%0.404SS..Hα-helixtrans-68.5-37.1178.953.80000112.3D322 T323 C329 S330D322-T326 PolarHBondContact O-N 3.03Å; D322-T326 VanDerWaalsContact O-N 3.08Å; D322-T326 PolarHBondContact O-OG1 3.46Å; T323-T326 VanDerWaalsContact CA-OG1 3.3Å; T323-T326 WeakPolarHBondContact CA-OG1 3.41Å; T323-T326 PolarHBondContact O-N 3.29Å; T323-T326 PolarHBondContact O-OG1 2.93Å; T323-T326 VanDerWaalsContact O-OG1 3.11Å; T326-C329 PolarHBondContact O-N 3.21Å; T326-S330 PolarHBondContact O-N 3.41Å; T326-S330 VanDerWaalsContact O-N 3.07Å; T326-S330 PolarHBondContact O-OG 2.96Å
327N91.4Very high78.3Confident80 Ų8077.9 Ų77.943%0.42841%0.411SS..Hα-helixtrans-64-47.2178.3-71.9-1.3000111.1T323 C329 S330 E331T323-N327 WeakPolarHBondContact CG2-ND2 3.41Å; T323-N327 VanDerWaalsContact O-CB 3.3Å; T323-N327 WeakPolarHBondContact O-CB 3.47Å; T323-N327 PolarHBondContact O-N 2.93Å; T323-N327 PolarHBondContact O-OD1 3.02Å; N327-C329 PolarHBondContact O-N 3.07Å; N327-S330 WeakPolarHBondContact CA-OG 3.36Å; N327-S330 PolarHBondContact O-N 3.47Å; N327-S330 PolarHBondContact O-OG 3.3Å; N327-E331 PolarHBondContact O-N 3.03Å; N327-E331 VanDerWaalsContact O-N 3.09Å
328L88.9Confident77.2Confident15 Ų1582.1 Ų82.18%0.07943%0.433CS..Hα-helixtrans-58.6-33.4175.5-74.4172.7000113.1L129 Q132 A136 F324 T332L129-L328 HydrophobicContact CD1-CD2 3.95Å; Q132-L328 HydrophobicContact CB-CD1 4.15Å; Q132-L328 HydrophobicContact CB-CD2 4.49Å; A136-L328 HydrophobicContact CB-CB 3.86Å; A136-L328 HydrophobicContact CB-CD1 4.27Å; F324-L328 HydrophobicContact CD1-CD1 4.11Å; F324-L328 HydrophobicContact CE1-CD1 3.55Å; F324-L328 HydrophobicContact CE2-CD1 4.16Å; F324-L328 HydrophobicContact CZ-CD1 3.59Å; F324-L328 WeakPolarHBondContact O-CG 3.49Å; F324-L328 PolarHBondContact O-N 3.09Å; L328-T332 PolarHBondContact O-OG1 2.91Å
329C84.2Confident76.2Confident31 Ų3179.5 Ų79.521%0.20943%0.426CS..Hα-helixtrans-75.6-25.9174.4-71.30000113.5A136 F325 T326 N327A136-C329 VanDerWaalsContact C-SG 3.58Å; F325-C329 PolarHBondContact O-N 3.49Å; F325-C329 PolarHBondContact O-SG 3.25Å; F325-C329 VanDerWaalsContact O-SG 3.37Å; T326-C329 PolarHBondContact O-N 3.21Å; N327-C329 PolarHBondContact O-N 3.07Å
330S71.9Confident75Confident62 Ų6276.3 Ų76.343%0.43442%0.415SS..Hα-helixtrans-86.4-32.1-17568.60000113.7T326 N327 T332 V333T326-S330 PolarHBondContact O-N 3.41Å; T326-S330 VanDerWaalsContact O-N 3.07Å; T326-S330 PolarHBondContact O-OG 2.96Å; N327-S330 WeakPolarHBondContact CA-OG 3.36Å; N327-S330 PolarHBondContact O-N 3.47Å; N327-S330 PolarHBondContact O-OG 3.3Å; S330-T332 PolarHBondContact O-N 2.96Å; S330-V333 PolarHBondContact O-N 3.48Å; S330-V333 VanDerWaalsContact O-N 3.16Å
331E59.4Low73.7Confident113 Ų11375.7 Ų75.753%0.52842%0.418SS..Hα-helixtrans-65-28178.5-72.6179.917400112.1N327 V333 L334N327-E331 PolarHBondContact O-N 3.03Å; N327-E331 VanDerWaalsContact O-N 3.09Å; E331-V333 PolarHBondContact O-N 3Å; E331-V333 VanDerWaalsContact O-N 3.15Å; E331-L334 PolarHBondContact O-N 3.4Å
332T51.5Low72.3Confident40 Ų4077.1 Ų77.125%0.24543%0.433CS..THydrogen-bonded Turntrans-66.4-13.4175.7-28.60000113.9E133 L328 S330E133-T332 PolarHBondContact OE2-OG1 3.08Å; L328-T332 PolarHBondContact O-OG1 2.91Å; S330-T332 PolarHBondContact O-N 2.96Å
333V41.3Very low71Confident122 Ų12276.4 Ų76.474%0.73943%0.431SS*.THydrogen-bonded Turntrans-87.8-12.5179.7-174.30000111.8S330 E331S330-V333 PolarHBondContact O-N 3.48Å; S330-V333 VanDerWaalsContact O-N 3.16Å; E331-V333 PolarHBondContact O-N 3Å; E331-V333 VanDerWaalsContact O-N 3.15Å
334L38.3Very low69.2Low159 Ų15979.3 Ų79.383%0.83245%0.446SS*.  trans-106.84.6-174.9-70.9169.3000114.6E331E331-L334 PolarHBondContact O-N 3.4Å
335T34.3Very low67.3Low172 Ų17280.9 Ų80.9100%1.05546%0.461SS*.  trans-123.30173.3520000110.1

Retrieved 335 of 335 residues in 263.6 ms (Link to these results)

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