A0A087XVG8_POEFO Loading...

Trafficking protein particle complex subunit 11

Involved in endoplasmic reticulum to Golgi apparatus trafficking at a very early stage.

AlphaFold DB , UniProt , Accession A0A087XVG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,123 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
1M23.9Very low65.5Low244 Ų24478.5 Ų78.5100%1.20246%0.461SS*.  085.40-73.3-166.8-87.500108.4
2A23.3Very low67.7Low101 Ų10171.9 Ų71.984%0.83542%0.423SS*.PPolyproline II helixtrans-78.7118.7167.200000106.2
3G37.7Very low69.5Low50 Ų5069.6 Ų69.652%0.51541%0.412SS..PPolyproline II helixtrans-52145.1175.300000110Q5G3-Q5 PolarHBondContact O-N 2.91Å
4S55.8Low70.9Confident59 Ų5968 Ų6841%0.41341%0.405SS..PPolyproline II helixtrans-55.5139.3179.562.70000109.3W6 E7S4-W6 PolarHBondContact O-N 3.47Å; S4-E7 WeakPolarHBondContact CB-OE1 3.32Å; S4-E7 PolarHBondContact N-OE1 3.11Å; S4-E7 WeakPolarHBondContact O-CB 3.3Å; S4-E7 PolarHBondContact O-N 2.98Å; S4-E7 WeakPolarHBondContact OG-CG 3.33Å; S4-E7 PolarHBondContact OG-OE1 2.72Å
5Q64.4Low72.1Confident97 Ų9773.1 Ų73.145%0.45342%0.415SS..THydrogen-bonded Turntrans-50.6-16.3-179.8178.8-179.1-2600113.9G3 E314G3-Q5 PolarHBondContact O-N 2.91Å; Q5-E314 PolarHBondContact NE2-OE1 2.72Å; Q5-E314 VanDerWaalsContact NE2-OE1 3.07Å
6W74.6Confident73.2Confident30 Ų3068.8 Ų68.811%0.11439%0.39CS..THydrogen-bonded Turntrans-101.4-7.3-176-47.6113.6000114.1S4 L265 E314 W318 K321S4-W6 PolarHBondContact O-N 3.47Å; W6-L265 HydrophobicContact CH2-CD1 3.5Å; W6-L265 VanDerWaalsContact CH2-CD1 3.5Å; W6-L265 HydrophobicContact CZ3-CD1 3.47Å; W6-L265 VanDerWaalsContact CZ3-CD1 3.47Å; W6-E314 HydrophobicContact CH2-CB 3.87Å; W6-E314 HydrophobicContact CH2-CG 4.31Å; W6-E314 HydrophobicContact CZ2-CB 3.52Å; W6-E314 HydrophobicContact CZ2-CG 3.68Å; W6-E314 WeakPolarHBondContact CZ2-OE1 3.33Å; W6-W318 HydrophobicContact CD2-CB 4.39Å; W6-W318 HydrophobicContact CE3-CB 3.86Å; W6-W318 AromaticContact CE3-CD1 3.74Å; W6-W318 HydrophobicContact CE3-CG 4.21Å; W6-W318 HydrophobicContact CZ3-CB 3.94Å; W6-W318 AromaticContact CZ3-CD1 3.93Å; W6-W318 HydrophobicContact CZ3-CG 4.25Å; W6-K321 HydrophobicContact CB-CB 4.32Å; W6-K321 HydrophobicContact CB-CG 4.28Å; W6-K321 WeakPolarHBondContact O-CG 3.46Å
7E80.3Confident74.3Confident103 Ų10368.8 Ų68.848%0.48139%0.387SS..SBendtrans-64.3138.7173.8-88.9158.5-127.400111.4S4S4-E7 WeakPolarHBondContact CB-OE1 3.32Å; S4-E7 PolarHBondContact N-OE1 3.11Å; S4-E7 WeakPolarHBondContact O-CB 3.3Å; S4-E7 PolarHBondContact O-N 2.98Å; S4-E7 WeakPolarHBondContact OG-CG 3.33Å; S4-E7 PolarHBondContact OG-OE1 2.72Å
8L88.2Confident75.3Confident24 Ų2465 Ų6513%0.12637%0.366CS..PPolyproline II helixtrans-69.9134.9173-65.1175.6000108.6L12 C13 F273 Y276L8-L12 HydrophobicContact CB-CD2 4.48Å; L8-L12 HydrophobicContact CD2-CD2 4.02Å; L8-C13 WeakPolarHBondContact CB-SG 3.43Å; L8-F273 HydrophobicContact CD2-CD1 3.67Å; L8-F273 HydrophobicContact CD2-CE1 3.77Å; L8-Y276 HydrophobicContact CD1-CD1 4.2Å; L8-Y276 HydrophobicContact CD1-CD2 3.28Å; L8-Y276 HydrophobicContact CD1-CE1 4.3Å; L8-Y276 HydrophobicContact CD1-CE2 3.41Å; L8-Y276 VanDerWaalsContact CD1-CE2 3.41Å; L8-Y276 HydrophobicContact CD1-CG 3.71Å
9P90.6Very high76.3Confident16 Ų1661.6 Ų61.610%0.10435%0.347CS..PPolyproline II helixtrans-57.2138.2177.9-24.432.3000110.9E11 L12 C13 M86 F273 Y390P9-E11 WeakPolarHBondContact CB-OE2 3.48Å; P9-E11 PolarHBondContact O-N 3.17Å; P9-E11 VanDerWaalsContact O-N 3.12Å; P9-L12 HydrophobicContact CB-CB 4.39Å; P9-L12 WeakPolarHBondContact O-CA 3.46Å; P9-L12 VanDerWaalsContact O-CB 3.27Å; P9-L12 WeakPolarHBondContact O-CB 3.05Å; P9-L12 PolarHBondContact O-N 2.86Å; P9-C13 PolarHBondContact O-N 2.85Å; P9-M86 HydrophobicContact CB-CE 4.33Å; P9-M86 HydrophobicContact CG-CE 4.48Å; P9-F273 HydrophobicContact CG-CE1 4.29Å; P9-F273 HydrophobicContact CG-CE2 3.74Å; P9-F273 HydrophobicContact CG-CZ 3.49Å; P9-F273 VanDerWaalsContact CG-CZ 3.49Å; P9-Y390 HydrophobicContact CB-CE1 4.25Å; P9-Y390 HydrophobicContact CG-CD1 4.19Å; P9-Y390 HydrophobicContact CG-CE1 3.49Å; P9-Y390 VanDerWaalsContact CG-CE1 3.49Å
10P90.3Very high77.2Confident98 Ų9858.6 Ų58.664%0.63633%0.329SS*.Hα-helixtrans-57.9-30.9179.523-33000112.1L12 C13 C14P10-L12 PolarHBondContact O-N 3.01Å; P10-C13 PolarHBondContact O-N 3.12Å; P10-C14 WeakPolarHBondContact O-CB 3.3Å; P10-C14 PolarHBondContact O-N 2.84Å
11E91.3Very high78.1Confident41 Ų4155.8 Ų55.819%0.19231%0.314CS..Hα-helixtrans-63.4-29.1174.5-58.887.2168.800113.1P9 C14 M86 N87 L90P9-E11 WeakPolarHBondContact CB-OE2 3.48Å; P9-E11 PolarHBondContact O-N 3.17Å; P9-E11 VanDerWaalsContact O-N 3.12Å; E11-C14 PolarHBondContact O-SG 2.9Å; E11-M86 HydrophobicContact CB-CB 3.73Å; E11-M86 HydrophobicContact CB-CE 4.33Å; E11-M86 HydrophobicContact CB-SD 4.48Å; E11-M86 HydrophobicContact CG-CB 4.3Å; E11-N87 HydrophobicContact CG-CB 4.03Å; E11-L90 HydrophobicContact CB-CD1 3.64Å; E11-L90 HydrophobicContact CG-CD1 3.96Å
12L91.9Very high81.6Confident0 Ų044.1 Ų44.10%026%0.256CS..Hα-helixtrans-79.5-40.4176.6-167.779.1000111.4L8 P9 P10 M86 F228 F273 Y276 K277L8-L12 HydrophobicContact CB-CD2 4.48Å; L8-L12 HydrophobicContact CD2-CD2 4.02Å; P9-L12 HydrophobicContact CB-CB 4.39Å; P9-L12 WeakPolarHBondContact O-CA 3.46Å; P9-L12 VanDerWaalsContact O-CB 3.27Å; P9-L12 WeakPolarHBondContact O-CB 3.05Å; P9-L12 PolarHBondContact O-N 2.86Å; P10-L12 PolarHBondContact O-N 3.01Å; L12-M86 HydrophobicContact CB-CE 4.41Å; L12-M86 HydrophobicContact CD1-CE 4.49Å; L12-M86 HydrophobicContact CD1-SD 4.08Å; L12-F228 HydrophobicContact CD1-CE2 4.49Å; L12-F228 HydrophobicContact CD1-CZ 4.24Å; L12-F273 HydrophobicContact CD1-CB 4.23Å; L12-F273 HydrophobicContact CD2-CB 3.76Å; L12-F273 HydrophobicContact CD2-CD1 3.75Å; L12-F273 HydrophobicContact CD2-CD2 4.34Å; L12-F273 HydrophobicContact CD2-CE1 4.45Å; L12-F273 HydrophobicContact CD2-CG 3.69Å; L12-Y276 HydrophobicContact CD2-CD1 3.89Å; L12-Y276 HydrophobicContact CD2-CG 4.49Å; L12-Y276 HydrophobicContact CG-CD1 4.12Å; L12-Y276 HydrophobicContact CG-CE1 4.47Å; L12-K277 HydrophobicContact CD1-CD 4.31Å; L12-K277 HydrophobicContact CD1-CG 3.82Å; L12-K277 HydrophobicContact CG-CG 4.35Å; L12-K277 WeakPolarHBondContact O-CE 3.38Å; L12-K277 PolarHBondContact O-NZ 2.5Å; L12-K277 VanDerWaalsContact O-NZ 3.16Å
13C91.4Very high85Confident42 Ų4239.4 Ų39.428%0.28422%0.217SC..Hα-helixtrans-76.6-27.1-177.3-65.20000113.5L8 P9 P10 R280L8-C13 WeakPolarHBondContact CB-SG 3.43Å; P9-C13 PolarHBondContact O-N 2.85Å; P10-C13 PolarHBondContact O-N 3.12Å; C13-R280 PolarHBondContact O-NH1 2.99Å; C13-R280 PolarHBondContact O-NH2 3.11Å
14C88.9Confident87.5Confident47 Ų4739 Ų3932%0.31821%0.212SC..SBendtrans-63.9156.7176.478.70000112.1P10 E11 P16 R280P10-C14 WeakPolarHBondContact O-CB 3.3Å; P10-C14 PolarHBondContact O-N 2.84Å; E11-C14 PolarHBondContact O-SG 2.9Å; C14-P16 VanDerWaalsContact O-CD 3.3Å; C14-P16 WeakPolarHBondContact O-CD 3.13Å; C14-R280 PolarHBondContact O-NH1 2.92Å
15R88.3Confident89.3Confident145 Ų14536.8 Ų36.855%0.54720%0.196SC..  trans-77.4115.5165.4178.7178.8177.1-179.5-1.8107.3M17R15-M17 PolarHBondContact O-N 2.99Å
16P91.1Very high90.5Very high3 Ų335.4 Ų35.42%0.01919%0.192CC..  trans-63.5123.8179.5-22.536.3000110.1C14 L90 F232 E235 L236 Q238C14-P16 VanDerWaalsContact O-CD 3.3Å; C14-P16 WeakPolarHBondContact O-CD 3.13Å; P16-L90 HydrophobicContact CB-CD2 4.24Å; P16-F232 HydrophobicContact CB-CZ 4.45Å; P16-F232 HydrophobicContact CG-CE2 4.08Å; P16-F232 HydrophobicContact CG-CZ 4.26Å; P16-E235 HydrophobicContact CB-CB 4.07Å; P16-E235 WeakPolarHBondContact CD-OE2 3.01Å; P16-E235 HydrophobicContact CG-CB 3.85Å; P16-L236 HydrophobicContact CB-CD2 3.67Å; P16-L236 HydrophobicContact CB-CG 3.9Å; P16-Q238 PolarHBondContact O-NE2 3.46Å
17M91.4Very high91.2Very high70 Ų7035.9 Ų35.935%0.34520%0.198SC..  trans-118.3149.2177.6-67.4-171.9-67.500109.7R15 F19 P50 L236R15-M17 PolarHBondContact O-N 2.99Å; M17-F19 PolarHBondContact O-N 3.31Å; M17-P50 WeakPolarHBondContact CB-O 3.31Å; M17-P50 HydrophobicContact CG-CB 4.3Å; M17-L236 WeakPolarHBondContact O-CD2 3.41Å
18A92Very high91.6Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-61.5125.5177.300000110.2P50 I51 S52 A196 Y200A18-P50 PolarHBondContact N-O 2.96Å; A18-I51 HydrophobicContact CB-CG1 4.38Å; A18-I51 CarbonylContact O-C 3.49Å; A18-I51 WeakPolarHBondContact O-CA 3.45Å; A18-I51 WeakPolarHBondContact O-CG2 3.34Å; A18-S52 PolarHBondContact O-N 3.06Å; A18-A196 HydrophobicContact CB-CB 3.81Å; A18-Y200 HydrophobicContact CB-CE2 3.76Å
19F93.9Very high91.7Very high1 Ų144.5 Ų44.50%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-88.4121.4-178.7178-147.1000110.9M17 K54 N91 V93 P94 A95 Y200M17-F19 PolarHBondContact O-N 3.31Å; F19-K54 HydrophobicContact CE2-CB 3.84Å; F19-K54 HydrophobicContact CE2-CD 3.75Å; F19-K54 HydrophobicContact CE2-CG 3.81Å; F19-K54 HydrophobicContact CZ-CB 4.35Å; F19-K54 HydrophobicContact CZ-CD 3.97Å; F19-K54 HydrophobicContact CZ-CG 4.44Å; F19-N91 VanDerWaalsContact CE1-C 3.47Å; F19-N91 VanDerWaalsContact CE1-O 3.31Å; F19-N91 WeakPolarHBondContact CE1-O 3.21Å; F19-V93 VanDerWaalsContact CD1-C 3.43Å; F19-V93 WeakPolarHBondContact CD1-O 3.38Å; F19-P94 HydrophobicContact CD1-CB 3.88Å; F19-P94 HydrophobicContact CE1-CB 3.87Å; F19-P94 HydrophobicContact CE1-CG 4.28Å; F19-P94 HydrophobicContact CG-CB 4.25Å; F19-P94 HydrophobicContact CZ-CB 4.25Å; F19-P94 CarbonylContact O-C 3.59Å; F19-P94 WeakPolarHBondContact O-CA 3.11Å; F19-A95 PolarHBondContact O-N 3.38Å; F19-Y200 PolarHBondContact N-OH 3.29Å; F19-Y200 VanDerWaalsContact N-OH 3.17Å
20V95.8Very high91.7Very high0 Ų045.8 Ų45.80%024%0.244CC..EExtended strand (participates in β ladder)trans-122.4127.7176177.80000109.1L22 I51 S52 F53 K54 L96 V98V20-L22 HydrophobicContact CG1-CD2 3.94Å; V20-I51 HydrophobicContact CB-CG2 3.77Å; V20-I51 HydrophobicContact CG2-CG2 3.51Å; V20-S52 PolarHBondContact N-O 3.34Å; V20-F53 HydrophobicContact CB-CD1 3.78Å; V20-F53 HydrophobicContact CB-CE1 3.82Å; V20-F53 HydrophobicContact CG1-CD1 3.93Å; V20-F53 HydrophobicContact CG1-CE1 3.82Å; V20-F53 HydrophobicContact CG2-CE1 4.41Å; V20-F53 WeakPolarHBondContact O-CA 3.13Å; V20-K54 PolarHBondContact O-N 2.81Å; V20-K54 VanDerWaalsContact O-N 3.16Å; V20-L96 WeakPolarHBondContact CA-O 3.46Å; V20-L96 HydrophobicContact CG1-CB 4.32Å; V20-L96 HydrophobicContact CG1-CD2 4.33Å; V20-L96 HydrophobicContact CG1-CG 4.48Å; V20-L96 HydrophobicContact CG2-CB 4.25Å; V20-V98 HydrophobicContact CG1-CG2 3.9Å
21A95.9Very high91.7Very high0 Ų045.1 Ų45.10%025%0.246CC..EExtended strand (participates in β ladder)trans-97133.2175.100000109.9K54 L56 P94 L96 V97 V98A21-K54 CarbonylContact C-O 3.49Å; A21-K54 WeakPolarHBondContact CA-O 3.39Å; A21-L56 HydrophobicContact CB-CD1 3.79Å; A21-L56 HydrophobicContact CB-CG 4.41Å; A21-P94 HydrophobicContact CB-CB 3.9Å; A21-P94 HydrophobicContact CB-CG 3.86Å; A21-L96 PolarHBondContact N-O 2.84Å; A21-V97 HydrophobicContact CB-CG1 4.46Å; A21-V97 HydrophobicContact CB-CG2 4.22Å; A21-V97 CarbonylContact O-C 3.5Å; A21-V97 WeakPolarHBondContact O-CA 3.1Å; A21-V98 PolarHBondContact O-N 3.05Å
22L96Very high91.6Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-105.5133.2173.4-46.6-177.4000107.9V20 L25 W37 F40 F53 K54 V55 L56 V98 F100 F192V20-L22 HydrophobicContact CG1-CD2 3.94Å; L22-L25 HydrophobicContact CB-CD1 4.37Å; L22-L25 HydrophobicContact CD1-CD1 4.42Å; L22-W37 HydrophobicContact CD1-CE3 4.02Å; L22-W37 HydrophobicContact CD1-CZ3 4.03Å; L22-F40 HydrophobicContact CD1-CD2 3.86Å; L22-F40 HydrophobicContact CD1-CE2 4.13Å; L22-F40 HydrophobicContact CD1-CG 4.27Å; L22-F53 HydrophobicContact CD1-CB 4.44Å; L22-F53 HydrophobicContact CD1-CD1 4.2Å; L22-F53 HydrophobicContact CD2-CD1 3.84Å; L22-F53 HydrophobicContact CD2-CE1 4.19Å; L22-F53 HydrophobicContact CG-CD1 4.14Å; L22-K54 PolarHBondContact N-O 2.81Å; L22-V55 CarbonylContact O-C 3.54Å; L22-V55 VanDerWaalsContact O-CA 3.29Å; L22-V55 WeakPolarHBondContact O-CA 3.37Å; L22-L56 PolarHBondContact O-N 3.2Å; L22-V98 WeakPolarHBondContact CA-O 3.34Å; L22-V98 HydrophobicContact CD2-CB 3.96Å; L22-V98 HydrophobicContact CD2-CG2 4.21Å; L22-F100 HydrophobicContact CB-CD2 4.44Å; L22-F100 HydrophobicContact CB-CE2 4.06Å; L22-F100 HydrophobicContact CD1-CE2 4.3Å; L22-F100 HydrophobicContact CD2-CE2 3.97Å; L22-F100 HydrophobicContact CG-CE2 4.31Å; L22-F192 HydrophobicContact CD2-CE2 4.49Å
23T95Very high91.6Very high2 Ų245.7 Ų45.71%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-135.6161.9178.5-167.60000110.6L25 L56 G58 V97 V98 L99 F100 V124T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.39Å; T23-L56 WeakPolarHBondContact CA-O 3.29Å; T23-L56 WeakPolarHBondContact CB-O 3.17Å; T23-L56 PolarHBondContact OG1-O 3.26Å; T23-G58 WeakPolarHBondContact OG1-CA 3.5Å; T23-G58 PolarHBondContact OG1-N 3.44Å; T23-V97 HydrophobicContact CG2-CG1 3.95Å; T23-V98 PolarHBondContact N-O 3.15Å; T23-L99 HydrophobicContact CG2-CB 4.06Å; T23-L99 HydrophobicContact CG2-CD1 3.79Å; T23-F100 PolarHBondContact O-N 3.12Å; T23-V124 HydrophobicContact CG2-CG2 4.18Å
24G90.9Very high91.6Very high40 Ų4048.5 Ų48.541%0.41226%0.256SS..SBendtrans80.61.9-174.300000115.3
25L92.6Very high91.7Very high14 Ų1448 Ų487%0.07326%0.256CS..  trans-95.3118.1172.9-66.2175.7000111L22 T23 V27 H33 I36 F100 I140L22-L25 HydrophobicContact CB-CD1 4.37Å; L22-L25 HydrophobicContact CD1-CD1 4.42Å; T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.39Å; L25-V27 HydrophobicContact CB-CG1 4.31Å; L25-V27 PolarHBondContact O-N 2.85Å; L25-H33 HydrophobicContact CB-CB 4.33Å; L25-H33 HydrophobicContact CD2-CB 4.03Å; L25-I36 HydrophobicContact CD1-CG2 4.2Å; L25-I36 HydrophobicContact CD2-CD1 4.48Å; L25-I36 HydrophobicContact CD2-CG2 4.32Å; L25-F100 HydrophobicContact CD1-CD2 3.84Å; L25-F100 HydrophobicContact CD1-CE2 4.05Å; L25-F100 HydrophobicContact CD1-CG 4.11Å; L25-F100 HydrophobicContact CD1-CZ 4.47Å; L25-F100 HydrophobicContact CD2-CB 3.6Å; L25-F100 HydrophobicContact CD2-CD1 3.89Å; L25-F100 HydrophobicContact CD2-CD2 4.18Å; L25-F100 HydrophobicContact CD2-CG 3.61Å; L25-F100 HydrophobicContact CG-CB 3.84Å; L25-F100 HydrophobicContact CG-CD1 4.39Å; L25-F100 HydrophobicContact CG-CD2 3.79Å; L25-F100 HydrophobicContact CG-CE2 4.49Å; L25-F100 HydrophobicContact CG-CG 3.74Å; L25-I140 HydrophobicContact CD2-CD1 4.05Å
26D90.4Very high91.8Very high67 Ų6741.1 Ų41.136%0.35823%0.23SC..  trans-87.588.2168.4-176-7.1000110.6V28 Y29 N30 H33D26-V28 PolarHBondContact O-N 2.61Å; D26-V28 PolarHBondContact OD1-N 2.83Å; D26-Y29 PolarHBondContact OD1-N 2.95Å; D26-N30 HydrophobicContact CB-CB 4.19Å; D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.86Å; D26-H33 PolarHBondContact N-ND1 3.21Å; D26-H33 VanDerWaalsContact O-CB 3.29Å; D26-H33 WeakPolarHBondContact O-CB 3.01Å
27V89.4Confident91.9Very high40 Ų4043.4 Ų43.424%0.24224%0.238CC..THydrogen-bonded Turntrans-76.5-3.3-179.5-620000113.8L25 R34 W37 V55L25-V27 HydrophobicContact CB-CG1 4.31Å; L25-V27 PolarHBondContact O-N 2.85Å; V27-R34 WeakPolarHBondContact O-CD 3.28Å; V27-W37 HydrophobicContact CG1-CB 3.67Å; V27-W37 HydrophobicContact CG1-CG 3.86Å; V27-V55 HydrophobicContact CG1-CG2 4.34Å
28V88.7Confident91.9Very high106 Ų10643 Ų4364%0.64224%0.237SC*.THydrogen-bonded Turntrans-97.3-46.9-177.6-177.20000110.6D26D26-V28 PolarHBondContact O-N 2.61Å; D26-V28 PolarHBondContact OD1-N 2.83Å
29Y89.8Confident91.7Very high202 Ų20243.5 Ų43.579%0.79224%0.242SC*.THydrogen-bonded Turntrans-111.9-13.8-172-54.7-75.3000114.7D26D26-Y29 PolarHBondContact OD1-N 2.95Å
30N90.9Very high91.5Very high44 Ų4443.5 Ų43.524%0.23524%0.241CC..  trans-109.8114.2179.9-177-32.1000111.5D26 V32 H33 R34 E102D26-N30 HydrophobicContact CB-CB 4.19Å; D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.86Å; N30-V32 VanDerWaalsContact C-N 3.34Å; N30-V32 PolarHBondContact O-N 3Å; N30-V32 WeakPolarHBondContact OD1-CB 3.18Å; N30-V32 PolarHBondContact OD1-N 3.07Å; N30-H33 HydrophobicContact CB-CB 3.99Å; N30-H33 PolarHBondContact ND2-CE1 2.67Å; N30-H33 PolarHBondContact ND2-ND1 3Å; N30-H33 PolarHBondContact O-N 2.68Å; N30-H33 PolarHBondContact OD1-N 3.37Å; N30-H33 VanDerWaalsContact OD1-N 3.15Å; N30-R34 PolarHBondContact O-N 3.09Å; N30-E102 PolarHBondContact ND2-OE1 3.33Å
31A89.4Confident91Very high84 Ų8446.2 Ų46.269%0.69426%0.26SS*.Hα-helixtrans-64.1-34.5-178.100000113.4R34 A35A31-R34 PolarHBondContact O-N 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.41Å; A31-A35 PolarHBondContact O-N 3.44Å
32V89.6Confident89.9Confident39 Ų3948.8 Ų48.824%0.23628%0.281CS..Hα-helixtrans-66.3-46.1176.8176.20000109.9N30 R34 A35 I36 I140 H177N30-V32 VanDerWaalsContact C-N 3.34Å; N30-V32 PolarHBondContact O-N 3Å; N30-V32 WeakPolarHBondContact OD1-CB 3.18Å; N30-V32 PolarHBondContact OD1-N 3.07Å; V32-R34 PolarHBondContact O-N 2.77Å; V32-A35 PolarHBondContact O-N 3.18Å; V32-I36 HydrophobicContact CG1-CD1 4.05Å; V32-I36 VanDerWaalsContact O-CG1 3.32Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 2.85Å; V32-I140 HydrophobicContact CG1-CG2 4.37Å; V32-H177 HydrophobicContact CG1-CB 4.43Å
33H92.6Very high88Confident13 Ų1355.8 Ų55.86%0.0632%0.319CS..Hα-helixtrans-63-40.2175.6-67.7169.9000112.6L25 D26 N30 I36 W37 E102 I140L25-H33 HydrophobicContact CB-CB 4.33Å; L25-H33 HydrophobicContact CD2-CB 4.03Å; D26-H33 PolarHBondContact N-ND1 3.21Å; D26-H33 VanDerWaalsContact O-CB 3.29Å; D26-H33 WeakPolarHBondContact O-CB 3.01Å; N30-H33 HydrophobicContact CB-CB 3.99Å; N30-H33 PolarHBondContact ND2-CE1 2.67Å; N30-H33 PolarHBondContact ND2-ND1 3Å; N30-H33 PolarHBondContact O-N 2.68Å; N30-H33 PolarHBondContact OD1-N 3.37Å; N30-H33 VanDerWaalsContact OD1-N 3.15Å; H33-I36 PolarHBondContact O-N 2.96Å; H33-W37 PolarHBondContact O-N 3.27Å; H33-E102 IonicContact CD2-OE1 3.19Å; H33-E102 IonicContact CE1-OE1 3.95Å; H33-E102 PolarHBondContact CE1-OE1 2.92Å; H33-E102 IonicContact NE2-OE1 2.63Å; H33-E102 PolarHBondContact NE2-OE1 2.87Å; H33-E102 VanDerWaalsContact NE2-OE1 3.08Å; H33-I140 WeakPolarHBondContact NE2-CD1 3.46Å
34R91.9Very high86.8Confident101 Ų10159.5 Ų59.538%0.38133%0.332SS..Hα-helixtrans-59.8-45.6173.7-173.178.1-168.984.27.1111.1V27 N30 A31 V32 W37 D38V27-R34 WeakPolarHBondContact O-CD 3.28Å; N30-R34 PolarHBondContact O-N 3.09Å; A31-R34 PolarHBondContact O-N 3.27Å; V32-R34 PolarHBondContact O-N 2.77Å; R34-W37 PolarHBondContact O-N 2.8Å; R34-D38 IonicContact CZ-OD1 2.87Å; R34-D38 IonicContact CZ-OD2 3.03Å; R34-D38 VanDerWaalsContact CZ-OD2 3.23Å; R34-D38 IonicContact NE-OD2 3.95Å; R34-D38 IonicContact NH1-OD1 3.23Å; R34-D38 PolarHBondContact NH1-OD1 2.84Å; R34-D38 IonicContact NH1-OD2 3.32Å; R34-D38 PolarHBondContact NH1-OD2 2.84Å; R34-D38 VanDerWaalsContact NH1-OD2 3.1Å; R34-D38 IonicContact NH2-OD1 2.76Å; R34-D38 PolarHBondContact NH2-OD1 2.89Å; R34-D38 IonicContact NH2-OD2 3.85Å; R34-D38 PolarHBondContact NH2-OD2 2.82Å; R34-D38 WeakPolarHBondContact O-CB 3.36Å; R34-D38 PolarHBondContact O-N 2.83Å
35A90Very high85.6Confident38 Ų3866.5 Ų66.531%0.31435%0.346SS..Hα-helixtrans-63.8-39.7178.100000112.7A31 V32 D38 A39 L181A31-A35 WeakPolarHBondContact O-CB 3.41Å; A31-A35 PolarHBondContact O-N 3.44Å; V32-A35 PolarHBondContact O-N 3.18Å; A35-D38 PolarHBondContact O-N 3.35Å; A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.16Å; A35-L181 HydrophobicContact CB-CD2 4.39Å
36I91.6Very high84.2Confident0 Ų071.2 Ų71.20%039%0.387CS..Hα-helixtrans-62.3-47.7174.2-68.3166.4000110.5L25 V32 H33 A39 F40 F100 I140 L175 L181 I185L25-I36 HydrophobicContact CD1-CG2 4.2Å; L25-I36 HydrophobicContact CD2-CD1 4.48Å; L25-I36 HydrophobicContact CD2-CG2 4.32Å; V32-I36 HydrophobicContact CG1-CD1 4.05Å; V32-I36 VanDerWaalsContact O-CG1 3.32Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 2.85Å; H33-I36 PolarHBondContact O-N 2.96Å; I36-A39 PolarHBondContact O-N 2.78Å; I36-F40 HydrophobicContact CG2-CD2 4.18Å; I36-F40 HydrophobicContact CG2-CE2 3.88Å; I36-F40 VanDerWaalsContact O-CD2 3.26Å; I36-F40 WeakPolarHBondContact O-CD2 3.47Å; I36-F40 PolarHBondContact O-N 3.08Å; I36-F100 HydrophobicContact CG2-CD1 4.42Å; I36-F100 HydrophobicContact CG2-CE1 3.91Å; I36-F100 HydrophobicContact CG2-CZ 4.41Å; I36-I140 HydrophobicContact CD1-CD1 3.62Å; I36-I140 HydrophobicContact CD1-CG1 3.99Å; I36-I140 HydrophobicContact CD1-CG2 4.21Å; I36-L175 HydrophobicContact CD1-CD2 3.86Å; I36-L175 HydrophobicContact CG1-CD2 3.96Å; I36-L175 HydrophobicContact CG2-CD2 3.93Å; I36-L181 HydrophobicContact CG1-CD1 4.3Å; I36-L181 HydrophobicContact CG1-CD2 4.34Å; I36-I185 HydrophobicContact CG2-CD1 4.18Å
37W92.6Very high83.4Confident51 Ų5174.1 Ų74.119%0.19340%0.403CS..Hα-helixtrans-61.6-45.3177173.1-131.1000112L22 V27 H33 R34 A39 F40 C41 F53 V55L22-W37 HydrophobicContact CD1-CE3 4.02Å; L22-W37 HydrophobicContact CD1-CZ3 4.03Å; V27-W37 HydrophobicContact CG1-CB 3.67Å; V27-W37 HydrophobicContact CG1-CG 3.86Å; H33-W37 PolarHBondContact O-N 3.27Å; R34-W37 PolarHBondContact O-N 2.8Å; W37-A39 VanDerWaalsContact C-N 3.28Å; W37-A39 PolarHBondContact O-N 3.05Å; W37-F40 HydrophobicContact CE3-CB 4.47Å; W37-F40 PolarHBondContact O-N 3.3Å; W37-F40 VanDerWaalsContact O-N 3.13Å; W37-C41 WeakPolarHBondContact CH2-SG 3.42Å; W37-C41 WeakPolarHBondContact CZ2-SG 3.34Å; W37-C41 VanDerWaalsContact CZ3-SG 3.57Å; W37-C41 PolarHBondContact O-N 3.45Å; W37-C41 VanDerWaalsContact O-N 3.13Å; W37-F53 HydrophobicContact CH2-CB 4.2Å; W37-F53 HydrophobicContact CZ3-CB 3.78Å; W37-V55 HydrophobicContact CD2-CG2 3.54Å; W37-V55 HydrophobicContact CE3-CG2 3.4Å; W37-V55 HydrophobicContact CG-CG2 4.12Å; W37-V55 HydrophobicContact CH2-CG2 3.99Å; W37-V55 HydrophobicContact CZ2-CG2 4.12Å; W37-V55 HydrophobicContact CZ3-CG2 3.63Å
38D90.5Very high83.3Confident60 Ų6073.9 Ų73.932%0.32140%0.397SS..Hα-helixtrans-60.6-36.6175.9-76.9-33.7000111.9R34 A35 F40 C41 A42R34-D38 IonicContact CZ-OD1 2.87Å; R34-D38 IonicContact CZ-OD2 3.03Å; R34-D38 VanDerWaalsContact CZ-OD2 3.23Å; R34-D38 IonicContact NE-OD2 3.95Å; R34-D38 IonicContact NH1-OD1 3.23Å; R34-D38 PolarHBondContact NH1-OD1 2.84Å; R34-D38 IonicContact NH1-OD2 3.32Å; R34-D38 PolarHBondContact NH1-OD2 2.84Å; R34-D38 VanDerWaalsContact NH1-OD2 3.1Å; R34-D38 IonicContact NH2-OD1 2.76Å; R34-D38 PolarHBondContact NH2-OD1 2.89Å; R34-D38 IonicContact NH2-OD2 3.85Å; R34-D38 PolarHBondContact NH2-OD2 2.82Å; R34-D38 WeakPolarHBondContact O-CB 3.36Å; R34-D38 PolarHBondContact O-N 2.83Å; A35-D38 PolarHBondContact O-N 3.35Å; D38-F40 VanDerWaalsContact C-N 3.31Å; D38-F40 PolarHBondContact O-N 2.9Å; D38-C41 PolarHBondContact O-N 2.85Å; D38-C41 VanDerWaalsContact O-N 3.12Å; D38-A42 WeakPolarHBondContact O-CB 3.31Å; D38-A42 PolarHBondContact O-N 3.34Å
39A89.1Confident83.2Confident12 Ų1269.7 Ų69.710%0.09937%0.372CS..Hα-helixtrans-67.1-27.6176.800000114A35 I36 W37 R48 L181 I185A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.16Å; I36-A39 PolarHBondContact O-N 2.78Å; W37-A39 VanDerWaalsContact C-N 3.28Å; W37-A39 PolarHBondContact O-N 3.05Å; A39-R48 PolarHBondContact O-NH1 2.78Å; A39-R48 PolarHBondContact O-NH2 3.42Å; A39-L181 HydrophobicContact CB-CD2 4.28Å; A39-L181 HydrophobicContact CB-CG 4.48Å; A39-I185 HydrophobicContact CB-CB 4.46Å; A39-I185 HydrophobicContact CB-CG1 3.79Å; A39-I185 HydrophobicContact CB-CG2 4.44Å
40F89.2Confident83.2Confident0 Ų061.1 Ų61.10%034%0.341CS..Hα-helixtrans-76.6-28.3170.3-78-70.4000112.9L22 I36 W37 D38 R44 F53 F100 I185 L188 E189 F192L22-F40 HydrophobicContact CD1-CD2 3.86Å; L22-F40 HydrophobicContact CD1-CE2 4.13Å; L22-F40 HydrophobicContact CD1-CG 4.27Å; I36-F40 HydrophobicContact CG2-CD2 4.18Å; I36-F40 HydrophobicContact CG2-CE2 3.88Å; I36-F40 VanDerWaalsContact O-CD2 3.26Å; I36-F40 WeakPolarHBondContact O-CD2 3.47Å; I36-F40 PolarHBondContact O-N 3.08Å; W37-F40 HydrophobicContact CE3-CB 4.47Å; W37-F40 PolarHBondContact O-N 3.3Å; W37-F40 VanDerWaalsContact O-N 3.13Å; D38-F40 VanDerWaalsContact C-N 3.31Å; D38-F40 PolarHBondContact O-N 2.9Å; F40-R44 WeakPolarHBondContact O-CD 3.31Å; F40-F53 HydrophobicContact CB-CD2 4.19Å; F40-F53 HydrophobicContact CB-CE2 4.49Å; F40-F53 HydrophobicContact CD1-CD2 4.14Å; F40-F53 HydrophobicContact CD1-CE1 4.23Å; F40-F53 AromaticContact CD1-CE2 3.69Å; F40-F53 HydrophobicContact CD1-CE2 3.69Å; F40-F53 AromaticContact CD1-CZ 3.74Å; F40-F53 HydrophobicContact CD1-CZ 3.74Å; F40-F53 HydrophobicContact CE1-CE1 4.35Å; F40-F53 HydrophobicContact CE1-CE2 4.41Å; F40-F53 HydrophobicContact CE1-CZ 4.01Å; F40-F53 HydrophobicContact CG-CE2 4.48Å; F40-F100 HydrophobicContact CE2-CE1 4.31Å; F40-F100 AromaticContact CE2-CZ 3.7Å; F40-F100 HydrophobicContact CE2-CZ 3.7Å; F40-F100 HydrophobicContact CZ-CZ 4.04Å; F40-I185 HydrophobicContact CD1-CG2 3.57Å; F40-I185 HydrophobicContact CD2-CD1 4.16Å; F40-I185 HydrophobicContact CD2-CG2 4.33Å; F40-I185 HydrophobicContact CE1-CD1 4.46Å; F40-I185 HydrophobicContact CE1-CG2 3.6Å; F40-I185 HydrophobicContact CE2-CD1 3.59Å; F40-I185 HydrophobicContact CE2-CG2 4.35Å; F40-I185 HydrophobicContact CG-CG2 3.95Å; F40-I185 HydrophobicContact CZ-CD1 3.75Å; F40-I185 HydrophobicContact CZ-CG2 3.99Å; F40-L188 HydrophobicContact CZ-CB 4.42Å; F40-L188 HydrophobicContact CZ-CD1 4.37Å; F40-E189 HydrophobicContact CD1-CG 3.83Å; F40-E189 HydrophobicContact CE1-CG 3.77Å; F40-F192 HydrophobicContact CE1-CD2 4.32Å; F40-F192 AromaticContact CE1-CE2 3.9Å; F40-F192 HydrophobicContact CE1-CE2 3.9Å; F40-F192 AromaticContact CZ-CE2 3.78Å; F40-F192 HydrophobicContact CZ-CE2 3.78Å
41C83.9Confident83.2Confident57 Ų5759 Ų5939%0.38533%0.33SS..Hα-helixtrans-98.9-32.8-174.1-70.40000114.9W37 D38W37-C41 WeakPolarHBondContact CH2-SG 3.42Å; W37-C41 WeakPolarHBondContact CZ2-SG 3.34Å; W37-C41 VanDerWaalsContact CZ3-SG 3.57Å; W37-C41 PolarHBondContact O-N 3.45Å; W37-C41 VanDerWaalsContact O-N 3.13Å; D38-C41 PolarHBondContact O-N 2.85Å; D38-C41 VanDerWaalsContact O-N 3.12Å
42A74.4Confident83.3Confident54 Ų5456.3 Ų56.345%0.44631%0.306SS..THydrogen-bonded Turntrans-71.3135.8-171.400000112.5D38 R44D38-A42 WeakPolarHBondContact O-CB 3.31Å; D38-A42 PolarHBondContact O-N 3.34Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 3.11Å; A42-R44 VanDerWaalsContact O-N 3.11Å
43N56.1Low83.5Confident148 Ų14855.3 Ų55.379%0.79130%0.298SS*.THydrogen-bonded Turntrans38.854.7170.1-75.6-17.2000114.1R45N43-R45 PolarHBondContact O-N 2.91Å
44R69.3Low83.5Confident80 Ų8057.9 Ų57.930%0.30231%0.31SS..  trans-6886.1175.7-62.7-171.379.8-178.6-1.7110.2F40 A42 V49 I51F40-R44 WeakPolarHBondContact O-CD 3.31Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 3.11Å; A42-R44 VanDerWaalsContact O-N 3.11Å; R44-V49 PolarHBondContact NH2-O 3.07Å; R44-I51 PolarHBondContact NH1-O 3.43Å; R44-I51 PolarHBondContact NH2-O 3.15Å
45R65.6Low83.6Confident186 Ų18655 Ų5570%0.70230%0.303SS*.  trans-59.5156.9170.6-68.8176.6-174.1-173.70.9109.8N43 D47 R48N43-R45 PolarHBondContact O-N 2.91Å; R45-D47 VanDerWaalsContact C-OD1 3.28Å; R45-D47 WeakPolarHBondContact CB-OD1 3.48Å; R45-D47 PolarHBondContact O-N 2.56Å; R45-D47 VanDerWaalsContact O-N 3.1Å; R45-R48 PolarHBondContact O-N 3.11Å; R45-R48 VanDerWaalsContact O-N 3.11Å
46A64.1Low83.8Confident113 Ų11354.5 Ų54.593%0.93430%0.295SS*.THydrogen-bonded Turntrans-64.8-13.1-173.300000114.7
47D73.8Confident83.7Confident128 Ų12858.2 Ų58.268%0.68432%0.319SS*.THydrogen-bonded Turntrans-78.9-18175.660.9-29.3000113.5R45R45-D47 VanDerWaalsContact C-OD1 3.28Å; R45-D47 WeakPolarHBondContact CB-OD1 3.48Å; R45-D47 PolarHBondContact O-N 2.56Å; R45-D47 VanDerWaalsContact O-N 3.1Å
48R85.3Confident83.2Confident35 Ų3557.4 Ų57.413%0.13233%0.326CS..SBendtrans-76.9148.9175.8-57.1-172.189.3171.66.9111.1A39 R45 E189A39-R48 PolarHBondContact O-NH1 2.78Å; A39-R48 PolarHBondContact O-NH2 3.42Å; R45-R48 PolarHBondContact O-N 3.11Å; R45-R48 VanDerWaalsContact O-N 3.11Å; R48-E189 IonicContact CZ-OE1 3.65Å; R48-E189 VanDerWaalsContact CZ-OE1 3.3Å; R48-E189 IonicContact CZ-OE2 3.37Å; R48-E189 IonicContact NE-OE1 3.69Å; R48-E189 PolarHBondContact NE-OE1 3.05Å; R48-E189 IonicContact NE-OE2 3.56Å; R48-E189 PolarHBondContact NE-OE2 2.97Å; R48-E189 IonicContact NH1-OE1 3.7Å; R48-E189 IonicContact NH2-OE1 2.84Å; R48-E189 PolarHBondContact NH2-OE1 3.02Å; R48-E189 IonicContact NH2-OE2 2.69Å; R48-E189 PolarHBondContact NH2-OE2 2.8Å
49V87.6Confident82.9Confident18 Ų1860.4 Ų60.411%0.10934%0.342CS..  trans-62.3141.4179.5-69.40000112.3R44 I51 E189 N190 Y193R44-V49 PolarHBondContact NH2-O 3.07Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 HydrophobicContact CG2-CD1 3.75Å; V49-I51 HydrophobicContact CG2-CG1 4.09Å; V49-I51 PolarHBondContact O-N 2.81Å; V49-E189 HydrophobicContact CG2-CB 3.69Å; V49-N190 VanDerWaalsContact CG1-OD1 3.24Å; V49-N190 WeakPolarHBondContact CG1-OD1 3.29Å; V49-Y193 HydrophobicContact CB-CD1 4.34Å; V49-Y193 HydrophobicContact CB-CD2 4.07Å; V49-Y193 HydrophobicContact CB-CG 3.91Å; V49-Y193 HydrophobicContact CG1-CD1 3.95Å; V49-Y193 HydrophobicContact CG1-CG 3.99Å; V49-Y193 HydrophobicContact CG2-CG 4.45Å
50P88.8Confident83Confident23 Ų2362.7 Ų62.715%0.14935%0.351CS..  trans-8274.2-172.332.9-35.7000112.3M17 A18 Y193 Q238M17-P50 WeakPolarHBondContact CB-O 3.31Å; M17-P50 HydrophobicContact CG-CB 4.3Å; A18-P50 PolarHBondContact N-O 2.96Å; P50-Y193 HydrophobicContact CG-CE2 4.01Å; P50-Q238 HydrophobicContact CB-CG 4.49Å; P50-Q238 HydrophobicContact CG-CG 3.43Å; P50-Q238 VanDerWaalsContact CG-CG 3.43Å
51I91.4Very high83Confident0 Ų070.8 Ų70.80%039%0.389CS..EExtended strand (participates in β ladder)trans-107.1143.1176.6-62.1175.1000109.7A18 V20 R44 V49 F53 E189 F192 Y193A18-I51 HydrophobicContact CB-CG1 4.38Å; A18-I51 CarbonylContact O-C 3.49Å; A18-I51 WeakPolarHBondContact O-CA 3.45Å; A18-I51 WeakPolarHBondContact O-CG2 3.34Å; V20-I51 HydrophobicContact CB-CG2 3.77Å; V20-I51 HydrophobicContact CG2-CG2 3.51Å; R44-I51 PolarHBondContact NH1-O 3.43Å; R44-I51 PolarHBondContact NH2-O 3.15Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 HydrophobicContact CG2-CD1 3.75Å; V49-I51 HydrophobicContact CG2-CG1 4.09Å; V49-I51 PolarHBondContact O-N 2.81Å; I51-F53 HydrophobicContact CB-CE1 4.4Å; I51-F53 HydrophobicContact CB-CE2 3.99Å; I51-F53 HydrophobicContact CB-CZ 3.9Å; I51-F53 HydrophobicContact CD1-CE1 4.41Å; I51-F53 HydrophobicContact CD1-CZ 3.86Å; I51-F53 HydrophobicContact CG2-CD1 3.79Å; I51-F53 HydrophobicContact CG2-CD2 4.1Å; I51-F53 HydrophobicContact CG2-CE1 3.48Å; I51-F53 VanDerWaalsContact CG2-CE1 3.48Å; I51-F53 HydrophobicContact CG2-CE2 3.8Å; I51-F53 HydrophobicContact CG2-CG 4.09Å; I51-F53 HydrophobicContact CG2-CZ 3.48Å; I51-F53 VanDerWaalsContact CG2-CZ 3.48Å; I51-E189 WeakPolarHBondContact CD1-O 3.39Å; I51-F192 HydrophobicContact CD1-CB 4.14Å; I51-Y193 HydrophobicContact CD1-CD2 4.34Å; I51-Y193 HydrophobicContact CG1-CD2 3.93Å
52S92.1Very high83.3Confident27 Ų2768.8 Ų68.819%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-98.6120.9162.8-176.20000108.8A18 V20A18-S52 PolarHBondContact O-N 3.06Å; V20-S52 PolarHBondContact N-O 3.34Å
53F93.3Very high83.9Confident17 Ų1768.6 Ų68.68%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-100.6140.3176.6-64.6-70.8000110.8V20 L22 W37 F40 I51 E189 F192V20-F53 HydrophobicContact CB-CD1 3.78Å; V20-F53 HydrophobicContact CB-CE1 3.82Å; V20-F53 HydrophobicContact CG1-CD1 3.93Å; V20-F53 HydrophobicContact CG1-CE1 3.82Å; V20-F53 HydrophobicContact CG2-CE1 4.41Å; V20-F53 WeakPolarHBondContact O-CA 3.13Å; L22-F53 HydrophobicContact CD1-CB 4.44Å; L22-F53 HydrophobicContact CD1-CD1 4.2Å; L22-F53 HydrophobicContact CD2-CD1 3.84Å; L22-F53 HydrophobicContact CD2-CE1 4.19Å; L22-F53 HydrophobicContact CG-CD1 4.14Å; W37-F53 HydrophobicContact CH2-CB 4.2Å; W37-F53 HydrophobicContact CZ3-CB 3.78Å; F40-F53 HydrophobicContact CB-CD2 4.19Å; F40-F53 HydrophobicContact CB-CE2 4.49Å; F40-F53 HydrophobicContact CD1-CD2 4.14Å; F40-F53 HydrophobicContact CD1-CE1 4.23Å; F40-F53 AromaticContact CD1-CE2 3.69Å; F40-F53 HydrophobicContact CD1-CE2 3.69Å; F40-F53 AromaticContact CD1-CZ 3.74Å; F40-F53 HydrophobicContact CD1-CZ 3.74Å; F40-F53 HydrophobicContact CE1-CE1 4.35Å; F40-F53 HydrophobicContact CE1-CE2 4.41Å; F40-F53 HydrophobicContact CE1-CZ 4.01Å; F40-F53 HydrophobicContact CG-CE2 4.48Å; I51-F53 HydrophobicContact CB-CE1 4.4Å; I51-F53 HydrophobicContact CB-CE2 3.99Å; I51-F53 HydrophobicContact CB-CZ 3.9Å; I51-F53 HydrophobicContact CD1-CE1 4.41Å; I51-F53 HydrophobicContact CD1-CZ 3.86Å; I51-F53 HydrophobicContact CG2-CD1 3.79Å; I51-F53 HydrophobicContact CG2-CD2 4.1Å; I51-F53 HydrophobicContact CG2-CE1 3.48Å; I51-F53 VanDerWaalsContact CG2-CE1 3.48Å; I51-F53 HydrophobicContact CG2-CE2 3.8Å; I51-F53 HydrophobicContact CG2-CG 4.09Å; I51-F53 HydrophobicContact CG2-CZ 3.48Å; I51-F53 VanDerWaalsContact CG2-CZ 3.48Å; F53-E189 HydrophobicContact CE2-CG 4.13Å; F53-E189 HydrophobicContact CZ-CG 3.98Å; F53-F192 AromaticContact CE1-CD2 3.93Å; F53-F192 HydrophobicContact CE1-CD2 3.93Å; F53-F192 HydrophobicContact CZ-CD2 4.29Å
54K93.8Very high85.2Confident68 Ų6870.7 Ų70.730%0.29637%0.369SS..EExtended strand (participates in β ladder)trans-136.2133.9166-66.4-179.6169.4169.90110F19 V20 A21 L22 N91F19-K54 HydrophobicContact CE2-CB 3.84Å; F19-K54 HydrophobicContact CE2-CD 3.75Å; F19-K54 HydrophobicContact CE2-CG 3.81Å; F19-K54 HydrophobicContact CZ-CB 4.35Å; F19-K54 HydrophobicContact CZ-CD 3.97Å; F19-K54 HydrophobicContact CZ-CG 4.44Å; V20-K54 PolarHBondContact O-N 2.81Å; V20-K54 VanDerWaalsContact O-N 3.16Å; A21-K54 CarbonylContact C-O 3.49Å; A21-K54 WeakPolarHBondContact CA-O 3.39Å; L22-K54 PolarHBondContact N-O 2.81Å; K54-N91 PolarHBondContact NZ-OD1 3.21Å
55V93.6Very high85.6Confident40 Ų4069 Ų6924%0.24237%0.369CS..EExtended strand (participates in β ladder)trans-79.4125.7168.9-176.50000108.4L22 V27 W37L22-V55 CarbonylContact O-C 3.54Å; L22-V55 VanDerWaalsContact O-CA 3.29Å; L22-V55 WeakPolarHBondContact O-CA 3.37Å; V27-V55 HydrophobicContact CG1-CG2 4.34Å; W37-V55 HydrophobicContact CD2-CG2 3.54Å; W37-V55 HydrophobicContact CE3-CG2 3.4Å; W37-V55 HydrophobicContact CG-CG2 4.12Å; W37-V55 HydrophobicContact CH2-CG2 3.99Å; W37-V55 HydrophobicContact CZ2-CG2 4.12Å; W37-V55 HydrophobicContact CZ3-CG2 3.63Å
56L93.3Very high86Confident28 Ų2869.8 Ų69.815%0.14737%0.372CS..  trans-127.4145.7178.6-63177.7000110.2A21 L22 T23 H60 Y62A21-L56 HydrophobicContact CB-CD1 3.79Å; A21-L56 HydrophobicContact CB-CG 4.41Å; L22-L56 PolarHBondContact O-N 3.2Å; T23-L56 WeakPolarHBondContact CA-O 3.29Å; T23-L56 WeakPolarHBondContact CB-O 3.17Å; T23-L56 PolarHBondContact OG1-O 3.26Å; L56-H60 HydrophobicContact CB-CB 4.18Å; L56-Y62 HydrophobicContact CD1-CE1 3.84Å
57P90.1Very high86.1Confident77 Ų7771.2 Ų71.250%0.537%0.37SS..  trans-54.7152170.9-25.134.8000112.4D59 H60P57-D59 WeakPolarHBondContact CB-OD1 3.37Å; P57-D59 PolarHBondContact O-N 2.93Å; P57-H60 WeakPolarHBondContact O-CB 3.37Å; P57-H60 PolarHBondContact O-N 3.09Å; P57-H60 VanDerWaalsContact O-N 3.16Å
58G81.4Confident85.7Confident34 Ų3470.3 Ų70.335%0.35136%0.36SS..THydrogen-bonded Turntrans-66.1-24.4-178.700000114.2T23T23-G58 WeakPolarHBondContact OG1-CA 3.5Å; T23-G58 PolarHBondContact OG1-N 3.44Å
59D85.3Confident84.9Confident123 Ų12375.5 Ų75.566%0.65838%0.379SS*.THydrogen-bonded Turntrans-98.714177.162.6-23.8000112.8P57 E61P57-D59 WeakPolarHBondContact CB-OD1 3.37Å; P57-D59 PolarHBondContact O-N 2.93Å; D59-E61 PolarHBondContact O-N 3.04Å
60H91.4Very high83.7Confident60 Ų6082 Ų8228%0.27842%0.419SS..  trans-57.9124.6-178.8-17979.2000112.4L56 P57 Y62L56-H60 HydrophobicContact CB-CB 4.18Å; P57-H60 WeakPolarHBondContact O-CB 3.37Å; P57-H60 PolarHBondContact O-N 3.09Å; P57-H60 VanDerWaalsContact O-N 3.16Å; H60-Y62 AromaticContact CD2-CD1 3.69Å; H60-Y62 AromaticContact CD2-CE1 3.51Å; H60-Y62 AromaticContact CD2-CZ 3.76Å; H60-Y62 WeakPolarHBondContact O-CD2 3.22Å; H60-Y62 PolarHBondContact O-N 3.23Å
61E88.5Confident82.8Confident170 Ų17084 Ų8479%0.79443%0.434SS*.  trans-80105.1178.3-65.8-165.5167.600112.3D59D59-E61 PolarHBondContact O-N 3.04Å
62Y89.8Confident82Confident16 Ų1685.9 Ų85.96%0.06344%0.441CS..PPolyproline II helixtrans-75.5151173.3-61.7-79.2000111.9L56 H60 K64 P94 S127 L128L56-Y62 HydrophobicContact CD1-CE1 3.84Å; H60-Y62 AromaticContact CD2-CD1 3.69Å; H60-Y62 AromaticContact CD2-CE1 3.51Å; H60-Y62 AromaticContact CD2-CZ 3.76Å; H60-Y62 WeakPolarHBondContact O-CD2 3.22Å; H60-Y62 PolarHBondContact O-N 3.23Å; Y62-K64 PolarHBondContact O-N 3.1Å; Y62-P94 HydrophobicContact CD1-CG 4.36Å; Y62-P94 HydrophobicContact CE1-CG 3.72Å; Y62-S127 VanDerWaalsContact CD2-OG 3.3Å; Y62-S127 WeakPolarHBondContact CD2-OG 3.4Å; Y62-S127 WeakPolarHBondContact CE2-OG 3.49Å; Y62-L128 HydrophobicContact CD1-CD2 4.32Å; Y62-L128 HydrophobicContact CD2-CD2 3.46Å; Y62-L128 VanDerWaalsContact CD2-CD2 3.46Å; Y62-L128 HydrophobicContact CD2-CG 3.96Å; Y62-L128 HydrophobicContact CE2-CD2 3.78Å; Y62-L128 HydrophobicContact CE2-CG 4.11Å; Y62-L128 HydrophobicContact CG-CD2 3.75Å
63P87.5Confident81.1Confident50 Ų5091.5 Ų91.533%0.32546%0.464SS..PPolyproline II helixtrans-57.9127.6179.4-22.330000111.8L92 R131P63-L92 HydrophobicContact CG-CB 3.95Å; P63-L92 HydrophobicContact CG-CD1 4.35Å; P63-R131 VanDerWaalsContact O-CZ 3.26Å; P63-R131 PolarHBondContact O-NE 2.77Å; P63-R131 PolarHBondContact O-NH2 2.98Å
64K82.6Confident80.2Confident191 Ų191101.5 Ų101.583%0.8350%0.502SS*.PPolyproline II helixtrans-58.2142.3-177.6-65.3-175.5179.2179.70112.4Y62 R66Y62-K64 PolarHBondContact O-N 3.1Å; K64-R66 PolarHBondContact O-N 3.14Å
65C77.9Confident79.6Confident44 Ų44100.4 Ų100.430%0.29750%0.496SS..PPolyproline II helixtrans-69.9120172.1-169.50000109.3G130C65-G130 PolarHBondContact SG-O 2.98Å
66R73.9Confident79Confident203 Ų203102.9 Ų102.977%0.76651%0.507SS*.PPolyproline II helixtrans-64.3144.1170.5-66-170.5-177.4-164.70.7109.5K64 K68K64-R66 PolarHBondContact O-N 3.14Å; R66-K68 PolarHBondContact O-N 2.95Å
67T67.2Low78.5Confident143 Ų143101.9 Ų101.988%0.87750%0.502SS*.PPolyproline II helixtrans-51.3125.4176.55.30000110
68K65.1Low78.3Confident110 Ų110102.6 Ų102.648%0.47850%0.497SS..PPolyproline II helixtrans-74.2127.9-177.2-60.3173.5-170.5-174.70107.7R66R66-K68 PolarHBondContact O-N 2.95Å
69R67.8Low78.7Confident143 Ų143101 Ų10154%0.5448%0.481SS..PPolyproline II helixtrans-74130.9174.6-71.9-175.4-179.1147.4-7109.7Y75R69-Y75 VanDerWaalsContact NH1-CZ 3.27Å
70T63Low79Confident154 Ų15495.1 Ų95.195%0.94545%0.449SS*.SBendtrans-84.8-23.2-179.644.90000112.8
71S69.8Low79.1Confident65 Ų6592.3 Ų92.346%0.45544%0.436SS..  trans-139.1151.9174.1177.70000112E73S71-E73 WeakPolarHBondContact OG-CB 3.3Å; S71-E73 PolarHBondContact OG-N 2.79Å
72Y75.1Confident79.2Confident41 Ų4188.5 Ų88.516%0.16142%0.417CS..  trans-108.8-0.9174.2-75.3-85.3000113.3W74 Y75 L214 H219 L222Y72-W74 VanDerWaalsContact C-N 3.27Å; Y72-W74 PolarHBondContact O-N 3.14Å; Y72-W74 VanDerWaalsContact O-N 3.15Å; Y72-Y75 AromaticContact CD1-CD1 3.81Å; Y72-Y75 HydrophobicContact CD1-CD1 3.81Å; Y72-Y75 HydrophobicContact CD1-CG 4.41Å; Y72-Y75 HydrophobicContact CE1-CD1 4.19Å; Y72-Y75 PolarHBondContact O-N 2.93Å; Y72-L214 HydrophobicContact CD1-CD2 4.02Å; Y72-L214 HydrophobicContact CD2-CD2 4.08Å; Y72-L214 HydrophobicContact CE1-CD2 4.48Å; Y72-L214 HydrophobicContact CG-CD2 3.81Å; Y72-H219 PolarHBondContact O-CE1 2.96Å; Y72-H219 PolarHBondContact O-NE2 3.01Å; Y72-H219 VanDerWaalsContact O-NE2 3.13Å; Y72-L222 HydrophobicContact CD1-CD1 3.9Å; Y72-L222 HydrophobicContact CE1-CD1 4.05Å
73E72.7Confident79.2Confident144 Ų14489.8 Ų89.867%0.67343%0.427SS*.THydrogen-bonded Turntrans-53-40.7-170.8-170.7172.8-170.500113.9S71S71-E73 WeakPolarHBondContact OG-CB 3.3Å; S71-E73 PolarHBondContact OG-N 2.79Å
74W74.8Confident79.3Confident228 Ų22889.5 Ų89.586%0.86443%0.433SS*.THydrogen-bonded Turntrans-103.68.9-179.9-57.5103.3000114Y72Y72-W74 VanDerWaalsContact C-N 3.27Å; Y72-W74 PolarHBondContact O-N 3.14Å; Y72-W74 VanDerWaalsContact O-N 3.15Å
75Y80.8Confident79.7Confident44 Ų4481.8 Ų81.817%0.17340%0.398CS..  trans-96.3113.3-173.2176-106.5000113R69 Y72 P77 H219 L222R69-Y75 VanDerWaalsContact NH1-CZ 3.27Å; Y72-Y75 AromaticContact CD1-CD1 3.81Å; Y72-Y75 HydrophobicContact CD1-CD1 3.81Å; Y72-Y75 HydrophobicContact CD1-CG 4.41Å; Y72-Y75 HydrophobicContact CE1-CD1 4.19Å; Y72-Y75 PolarHBondContact O-N 2.93Å; Y75-P77 HydrophobicContact CE1-CB 4.19Å; Y75-H219 PolarHBondContact O-CD2 3.04Å; Y75-H219 VanDerWaalsContact O-CD2 3.27Å; Y75-H219 PolarHBondContact O-NE2 2.76Å; Y75-H219 VanDerWaalsContact O-NE2 3.09Å; Y75-L222 HydrophobicContact CD1-CD1 3.95Å; Y75-L222 HydrophobicContact CE1-CD1 3.95Å; Y75-L222 HydrophobicContact CE1-CD2 4.26Å
76I80.5Confident80.5Confident92 Ų9279.7 Ų79.747%0.47238%0.384SS..  trans-95122.7175.6-51.2171.2000110.3K78I76-K78 PolarHBondContact O-N 3.4Å
77P84.6Confident81.4Confident7 Ų772.5 Ų72.55%0.04536%0.361CS..  trans-73.8126.8-179.327.8-32.8000112.4Y75 G79 L221 L222Y75-P77 HydrophobicContact CE1-CB 4.19Å; P77-G79 VanDerWaalsContact C-N 3.32Å; P77-G79 PolarHBondContact O-N 2.85Å; P77-L221 HydrophobicContact CB-CB 4.08Å; P77-L221 HydrophobicContact CB-CD1 4.26Å; P77-L221 HydrophobicContact CG-CB 3.93Å; P77-L221 HydrophobicContact CG-CD1 4.12Å; P77-L221 HydrophobicContact CG-CG 4.28Å; P77-L222 HydrophobicContact CB-CD2 3.95Å; P77-L222 HydrophobicContact CB-CG 3.93Å; P77-L222 HydrophobicContact CG-CG 4.16Å
78K85.8Confident82.6Confident92 Ų9268.5 Ų68.540%0.433%0.331SS..SBendtrans-80.4-0.6177.7-56.9-172.3174.8-162.50115.9I76 F389 G398I76-K78 PolarHBondContact O-N 3.4Å; K78-F389 HydrophobicContact CB-CE2 4.02Å; K78-F389 HydrophobicContact CB-CZ 4.34Å; K78-G398 PolarHBondContact NZ-O 3.29Å
79G88.5Confident83.8Confident0 Ų063.9 Ų63.90%031%0.312CS..  trans172.2178.8-17500000112.8P77 R225 E266P77-G79 VanDerWaalsContact C-N 3.32Å; P77-G79 PolarHBondContact O-N 2.85Å; G79-R225 PolarHBondContact O-NH2 2.76Å; G79-E266 WeakPolarHBondContact CA-OE1 3.37Å
80I92.2Very high85Confident0 Ų057.9 Ų57.90%029%0.29CS..SBendtrans-89-71-172.5-59.1177.6000111.6L221 V224 R225 L257 E266 I267 M270I80-L221 HydrophobicContact CD1-CD2 4.38Å; I80-L221 HydrophobicContact CG1-CB 4.49Å; I80-L221 HydrophobicContact CG1-CD2 3.83Å; I80-V224 HydrophobicContact CG2-CB 4.11Å; I80-V224 HydrophobicContact CG2-CG1 3.46Å; I80-V224 VanDerWaalsContact CG2-CG1 3.46Å; I80-R225 VanDerWaalsContact O-CB 3.29Å; I80-R225 WeakPolarHBondContact O-CB 3.32Å; I80-R225 VanDerWaalsContact O-CG 3.26Å; I80-R225 WeakPolarHBondContact O-CG 3.27Å; I80-R225 PolarHBondContact O-NE 2.84Å; I80-R225 PolarHBondContact O-NH2 2.81Å; I80-L257 HydrophobicContact CD1-CD1 3.75Å; I80-L257 HydrophobicContact CG1-CD1 4.46Å; I80-E266 HydrophobicContact CB-CG 4.41Å; I80-E266 HydrophobicContact CD1-CG 3.86Å; I80-E266 HydrophobicContact CG1-CG 4Å; I80-E266 PolarHBondContact N-OE1 2.73Å; I80-I267 HydrophobicContact CD1-CG1 4.47Å; I80-M270 HydrophobicContact CB-CG 3.97Å; I80-M270 HydrophobicContact CD1-CB 4.22Å; I80-M270 HydrophobicContact CD1-CG 4.05Å; I80-M270 HydrophobicContact CG2-CB 4.4Å; I80-M270 HydrophobicContact CG2-CE 4.38Å; I80-M270 HydrophobicContact CG2-CG 3.82Å; I80-M270 HydrophobicContact CG2-SD 4.49Å
81V92.6Very high86.4Confident1 Ų153.3 Ų53.31%0.00626%0.26CS..SBendtrans-127.9133.9-179.7170.80000110.1R225 F228 M270 F389 Y390V81-R225 HydrophobicContact CG2-CG 4.24Å; V81-F228 HydrophobicContact CG1-CD1 4.45Å; V81-F228 HydrophobicContact CG1-CE1 4.36Å; V81-F228 HydrophobicContact CG2-CB 4.39Å; V81-F228 HydrophobicContact CG2-CD1 3.95Å; V81-F228 HydrophobicContact CG2-CG 4.19Å; V81-M270 HydrophobicContact CB-CE 3.97Å; V81-M270 HydrophobicContact CB-SD 3.96Å; V81-M270 HydrophobicContact CG2-CE 3.73Å; V81-M270 HydrophobicContact CG2-SD 4.34Å; V81-F389 WeakPolarHBondContact O-CA 3.2Å; V81-Y390 HydrophobicContact CB-CD2 4.29Å; V81-Y390 HydrophobicContact CG1-CD2 3.99Å; V81-Y390 HydrophobicContact CG1-CE2 4.08Å; V81-Y390 PolarHBondContact O-N 3.39Å; V81-Y390 VanDerWaalsContact O-N 3.16Å
82K91.1Very high87.4Confident91 Ų9153.8 Ų53.840%0.39626%0.257SS..BIsolated β-bridgetrans-74.1139.9177.9-67.4-168172.8-155.40111.3G84 W85 D388 F389K82-G84 PolarHBondContact O-N 3.37Å; K82-W85 HydrophobicContact CB-CB 4.4Å; K82-W85 WeakPolarHBondContact O-CB 3.49Å; K82-W85 PolarHBondContact O-N 3.19Å; K82-D388 VanDerWaalsContact CA-O 3.3Å; K82-D388 WeakPolarHBondContact CA-O 3.44Å; K82-F389 HydrophobicContact CD-CE1 4.47Å; K82-F389 HydrophobicContact CG-CD1 3.92Å; K82-F389 HydrophobicContact CG-CE1 3.49Å; K82-F389 VanDerWaalsContact CG-CE1 3.49Å; K82-F389 HydrophobicContact CG-CZ 4.08Å
83T89.9Confident88.3Confident43 Ų4351.9 Ų51.926%0.26425%0.25SC..THydrogen-bonded Turntrans-57.7-51.3-177.4530000112.9W85 L387 D388 Y390T83-W85 PolarHBondContact O-N 3.04Å; T83-W85 VanDerWaalsContact O-N 3.11Å; T83-L387 WeakPolarHBondContact CB-O 3.35Å; T83-L387 HydrophobicContact CG2-CB 4.13Å; T83-L387 WeakPolarHBondContact CG2-O 3.49Å; T83-L387 PolarHBondContact OG1-O 3.42Å; T83-D388 PolarHBondContact N-O 2.94Å; T83-Y390 VanDerWaalsContact CA-CE2 3.47Å; T83-Y390 VanDerWaalsContact CA-CZ 3.5Å; T83-Y390 HydrophobicContact CG2-CD1 3.89Å; T83-Y390 HydrophobicContact CG2-CD2 4.38Å; T83-Y390 HydrophobicContact CG2-CE1 3.94Å; T83-Y390 HydrophobicContact CG2-CE2 4.42Å; T83-Y390 HydrophobicContact CG2-CG 4.12Å; T83-Y390 PolarHBondContact O-OH 2.85Å
84G89.3Confident89.3Confident43 Ų4345 Ų4544%0.44322%0.218SC..Hα-helixtrans-71.7-1.3179.800000116.4K82 K88K82-G84 PolarHBondContact O-N 3.37Å; G84-K88 VanDerWaalsContact O-CB 3.28Å; G84-K88 WeakPolarHBondContact O-CB 3.29Å; G84-K88 PolarHBondContact O-N 2.84Å; G84-K88 VanDerWaalsContact O-N 3.13Å
85W92.4Very high90.3Very high30 Ų3034.2 Ų34.211%0.11418%0.176CC..Hα-helixtrans-71-41.1-174.1-174.479.6000113.2K82 T83 K88 H89 F228 K229 F232 L233K82-W85 HydrophobicContact CB-CB 4.4Å; K82-W85 WeakPolarHBondContact O-CB 3.49Å; K82-W85 PolarHBondContact O-N 3.19Å; T83-W85 PolarHBondContact O-N 3.04Å; T83-W85 VanDerWaalsContact O-N 3.11Å; W85-K88 WeakPolarHBondContact O-CB 3.23Å; W85-H89 AromaticContact CE2-CD2 3.52Å; W85-H89 AromaticContact CE2-NE2 3.66Å; W85-H89 AromaticContact CZ2-CD2 3.62Å; W85-H89 AromaticContact CZ2-NE2 3.74Å; W85-H89 AromaticContact NE1-CD2 3.61Å; W85-H89 AromaticContact NE1-NE2 3.38Å; W85-H89 PolarHBondContact NE1-NE2 3.02Å; W85-H89 PolarHBondContact O-CD2 3.2Å; W85-F228 HydrophobicContact CZ3-CE1 4.43Å; W85-K229 HydrophobicContact CD2-CD 4.41Å; W85-K229 HydrophobicContact CD2-CG 4.13Å; W85-K229 HydrophobicContact CE3-CG 4.21Å; W85-K229 HydrophobicContact CH2-CB 3.78Å; W85-K229 HydrophobicContact CH2-CD 4.39Å; W85-K229 HydrophobicContact CH2-CG 3.59Å; W85-K229 HydrophobicContact CZ2-CB 3.88Å; W85-K229 HydrophobicContact CZ2-CD 3.78Å; W85-K229 HydrophobicContact CZ2-CG 3.49Å; W85-K229 VanDerWaalsContact CZ2-CG 3.49Å; W85-K229 HydrophobicContact CZ3-CB 4.45Å; W85-K229 HydrophobicContact CZ3-CG 3.95Å; W85-F232 HydrophobicContact CH2-CB 4.33Å; W85-F232 HydrophobicContact CH2-CD1 4.13Å; W85-F232 HydrophobicContact CZ3-CB 4.05Å; W85-F232 AromaticContact CZ3-CD1 3.78Å; W85-F232 HydrophobicContact CZ3-CD1 3.78Å; W85-F232 HydrophobicContact CZ3-CG 4.06Å; W85-L233 HydrophobicContact CH2-CG 4.24Å
86M93.8Very high91Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-67.8-50179.1-66.6-173.8-73.500111P9 E11 L12 K88 H89 L90 F228 F232 Y390P9-M86 HydrophobicContact CB-CE 4.33Å; P9-M86 HydrophobicContact CG-CE 4.48Å; E11-M86 HydrophobicContact CB-CB 3.73Å; E11-M86 HydrophobicContact CB-CE 4.33Å; E11-M86 HydrophobicContact CB-SD 4.48Å; E11-M86 HydrophobicContact CG-CB 4.3Å; L12-M86 HydrophobicContact CB-CE 4.41Å; L12-M86 HydrophobicContact CD1-CE 4.49Å; L12-M86 HydrophobicContact CD1-SD 4.08Å; M86-K88 PolarHBondContact O-N 2.95Å; M86-H89 PolarHBondContact O-N 2.62Å; M86-L90 PolarHBondContact O-N 3.16Å; M86-L90 VanDerWaalsContact O-N 3.07Å; M86-F228 HydrophobicContact CG-CE1 4.35Å; M86-F228 HydrophobicContact SD-CE1 4.13Å; M86-F228 HydrophobicContact SD-CZ 3.89Å; M86-F232 HydrophobicContact CB-CE1 4.5Å; M86-F232 HydrophobicContact CB-CZ 4.1Å; M86-F232 HydrophobicContact CG-CD2 4.48Å; M86-F232 HydrophobicContact CG-CE2 4.13Å; M86-F232 HydrophobicContact CG-CZ 4.15Å; M86-F232 HydrophobicContact SD-CD2 4.28Å; M86-F232 HydrophobicContact SD-CE2 3.9Å; M86-F232 HydrophobicContact SD-CZ 4.44Å; M86-Y390 HydrophobicContact CE-CE2 3.69Å; M86-Y390 WeakPolarHBondContact CE-OH 3.4Å
87N92.6Very high91.8Very high51 Ų5127.7 Ų27.727%0.27315%0.146SC..Hα-helixtrans-55.7-39.6177.8-173.526.7000112.1E11 H89 L90 N91E11-N87 HydrophobicContact CG-CB 4.03Å; N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 2.88Å; N87-L90 PolarHBondContact O-N 3.26Å; N87-N91 PolarHBondContact O-N 3.38Å; N87-N91 WeakPolarHBondContact OD1-CB 3.5Å; N87-N91 PolarHBondContact OD1-ND2 3.15Å
88K92.2Very high92.4Very high60 Ų6027.4 Ų27.426%0.26114%0.144SC..Iπ-helixtrans-53.1-42.3175.3176.3-179.4175.1171.60113.1G84 W85 M86 L92 V93G84-K88 VanDerWaalsContact O-CB 3.28Å; G84-K88 WeakPolarHBondContact O-CB 3.29Å; G84-K88 PolarHBondContact O-N 2.84Å; G84-K88 VanDerWaalsContact O-N 3.13Å; W85-K88 WeakPolarHBondContact O-CB 3.23Å; M86-K88 PolarHBondContact O-N 2.95Å; K88-L92 PolarHBondContact O-N 3.27Å; K88-V93 HydrophobicContact CD-CG2 4.4Å; K88-V93 HydrophobicContact CG-CG2 3.62Å; K88-V93 WeakPolarHBondContact O-CB 3.5Å; K88-V93 WeakPolarHBondContact O-CG2 3.45Å; K88-V93 PolarHBondContact O-N 2.85Å
89H91.4Very high92.9Very high13 Ų1323.3 Ų23.36%0.0613%0.126CC..Iπ-helixtrans-91-17.2-176.1-74.7-78.4000113.9W85 M86 N87 L236W85-H89 AromaticContact CE2-CD2 3.52Å; W85-H89 AromaticContact CE2-NE2 3.66Å; W85-H89 AromaticContact CZ2-CD2 3.62Å; W85-H89 AromaticContact CZ2-NE2 3.74Å; W85-H89 AromaticContact NE1-CD2 3.61Å; W85-H89 AromaticContact NE1-NE2 3.38Å; W85-H89 PolarHBondContact NE1-NE2 3.02Å; W85-H89 PolarHBondContact O-CD2 3.2Å; M86-H89 PolarHBondContact O-N 2.62Å; N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 2.88Å; H89-L236 HydrophobicContact CB-CD1 4.17Å
90L92.3Very high93.2Very high16 Ų1623.4 Ų23.48%0.08413%0.127CC..Iπ-helixtrans-85.2-38.1173.6-70.7169.6000112.6E11 P16 M86 N87 F232 L236E11-L90 HydrophobicContact CB-CD1 3.64Å; E11-L90 HydrophobicContact CG-CD1 3.96Å; P16-L90 HydrophobicContact CB-CD2 4.24Å; M86-L90 PolarHBondContact O-N 3.16Å; M86-L90 VanDerWaalsContact O-N 3.07Å; N87-L90 PolarHBondContact O-N 3.26Å; L90-F232 HydrophobicContact CD1-CZ 4.03Å; L90-F232 HydrophobicContact CD2-CE1 4.48Å; L90-F232 HydrophobicContact CD2-CZ 4.15Å; L90-F232 HydrophobicContact CG-CE1 4.34Å; L90-F232 HydrophobicContact CG-CZ 4.03Å; L90-L236 HydrophobicContact CD2-CD2 4.01Å
91N92.3Very high93.3Very high58 Ų5823.9 Ų23.931%0.3113%0.129SC..Iπ-helixtrans-130.8-23.2-162.6-69.5-53.1000116.1F19 K54 N87F19-N91 VanDerWaalsContact CE1-C 3.47Å; F19-N91 VanDerWaalsContact CE1-O 3.31Å; F19-N91 WeakPolarHBondContact CE1-O 3.21Å; K54-N91 PolarHBondContact NZ-OD1 3.21Å; N87-N91 PolarHBondContact O-N 3.38Å; N87-N91 WeakPolarHBondContact OD1-CB 3.5Å; N87-N91 PolarHBondContact OD1-ND2 3.15Å
92L91.9Very high93.3Very high75 Ų7528.2 Ų28.239%0.39315%0.148SC..Iπ-helixtrans-109.2-28.1-170.7-55.7179.2000113.5P63 K88P63-L92 HydrophobicContact CG-CB 3.95Å; P63-L92 HydrophobicContact CG-CD1 4.35Å; K88-L92 PolarHBondContact O-N 3.27Å
93V92.6Very high93.3Very high2 Ų224 Ų241%0.01213%0.13CC..SBendtrans-124.5103.2-173.61800000108.9F19 K88F19-V93 VanDerWaalsContact CD1-C 3.43Å; F19-V93 WeakPolarHBondContact CD1-O 3.38Å; K88-V93 HydrophobicContact CD-CG2 4.4Å; K88-V93 HydrophobicContact CG-CG2 3.62Å; K88-V93 WeakPolarHBondContact O-CB 3.5Å; K88-V93 WeakPolarHBondContact O-CG2 3.45Å; K88-V93 PolarHBondContact O-N 2.85Å
94P94.9Very high93.2Very high0 Ų023.3 Ų23.30%013%0.125CC..  trans-72.2151.4179.828.1-31.3000111.4F19 A21 Y62 V97 T133F19-P94 HydrophobicContact CD1-CB 3.88Å; F19-P94 HydrophobicContact CE1-CB 3.87Å; F19-P94 HydrophobicContact CE1-CG 4.28Å; F19-P94 HydrophobicContact CG-CB 4.25Å; F19-P94 HydrophobicContact CZ-CB 4.25Å; F19-P94 CarbonylContact O-C 3.59Å; F19-P94 WeakPolarHBondContact O-CA 3.11Å; A21-P94 HydrophobicContact CB-CB 3.9Å; A21-P94 HydrophobicContact CB-CG 3.86Å; Y62-P94 HydrophobicContact CD1-CG 4.36Å; Y62-P94 HydrophobicContact CE1-CG 3.72Å; P94-V97 HydrophobicContact CB-CG2 4.4Å; P94-V97 HydrophobicContact CG-CG2 3.59Å; P94-T133 HydrophobicContact CG-CG2 4.16Å; P94-T133 WeakPolarHBondContact O-CB 3.44Å; P94-T133 WeakPolarHBondContact O-CG2 3.47Å; P94-T133 PolarHBondContact O-OG1 2.88Å
95A95.3Very high93.1Very high0 Ų022.5 Ų22.50%011%0.109CC..SBendtrans-73.7-32.6168.600000111.4F19 K134 A196 Y199 Y200F19-A95 PolarHBondContact O-N 3.38Å; A95-K134 PolarHBondContact O-N 3.07Å; A95-A196 HydrophobicContact CB-CB 3.8Å; A95-Y199 HydrophobicContact CB-CD1 3.37Å; A95-Y199 HydrophobicContact CB-CE1 3.95Å; A95-Y199 HydrophobicContact CB-CG 3.84Å; A95-Y200 HydrophobicContact CB-CE2 3.89Å
96L95.6Very high92.7Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-141.5134.2178.8178.970000109.8V20 A21 V98 K134 A136 F192 H195V20-L96 WeakPolarHBondContact CA-O 3.46Å; V20-L96 HydrophobicContact CG1-CB 4.32Å; V20-L96 HydrophobicContact CG1-CD2 4.33Å; V20-L96 HydrophobicContact CG1-CG 4.48Å; V20-L96 HydrophobicContact CG2-CB 4.25Å; A21-L96 PolarHBondContact N-O 2.84Å; L96-V98 HydrophobicContact CD2-CG2 3.58Å; L96-V98 HydrophobicContact CG-CG2 3.77Å; L96-K134 WeakPolarHBondContact CA-O 3.35Å; L96-K134 HydrophobicContact CD1-CB 3.68Å; L96-A136 HydrophobicContact CD1-CB 3.91Å; L96-F192 HydrophobicContact CD2-CB 3.77Å; L96-F192 HydrophobicContact CD2-CD1 3.68Å; L96-F192 HydrophobicContact CD2-CG 3.88Å; L96-H195 HydrophobicContact CD1-CB 4.19Å; L96-H195 HydrophobicContact CD2-CB 4.03Å
97V96.4Very high92.4Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-104.5127.3164.3-175.60000108.5A21 T23 P94 V124 L128 T133 K134 V135 A136A21-V97 HydrophobicContact CB-CG1 4.46Å; A21-V97 HydrophobicContact CB-CG2 4.22Å; A21-V97 CarbonylContact O-C 3.5Å; A21-V97 WeakPolarHBondContact O-CA 3.1Å; T23-V97 HydrophobicContact CG2-CG1 3.95Å; P94-V97 HydrophobicContact CB-CG2 4.4Å; P94-V97 HydrophobicContact CG-CG2 3.59Å; V97-V124 HydrophobicContact CB-CG1 4.09Å; V97-V124 HydrophobicContact CG1-CG1 3.69Å; V97-L128 HydrophobicContact CB-CD1 4.44Å; V97-L128 HydrophobicContact CG2-CD1 3.83Å; V97-L128 HydrophobicContact CG2-CD2 4.41Å; V97-T133 HydrophobicContact CG2-CG2 3.88Å; V97-K134 PolarHBondContact N-O 3.17Å; V97-V135 CarbonylContact O-C 3.6Å; V97-V135 WeakPolarHBondContact O-CA 3.42Å; V97-A136 PolarHBondContact O-N 3.34Å
98V96.9Very high92Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-112.9114.7-179.3-1750000109V20 A21 L22 T23 L96 F100 A136 V138 F192V20-V98 HydrophobicContact CG1-CG2 3.9Å; A21-V98 PolarHBondContact O-N 3.05Å; L22-V98 WeakPolarHBondContact CA-O 3.34Å; L22-V98 HydrophobicContact CD2-CB 3.96Å; L22-V98 HydrophobicContact CD2-CG2 4.21Å; T23-V98 PolarHBondContact N-O 3.15Å; L96-V98 HydrophobicContact CD2-CG2 3.58Å; L96-V98 HydrophobicContact CG-CG2 3.77Å; V98-F100 HydrophobicContact CB-CE2 4.27Å; V98-F100 HydrophobicContact CG1-CD2 4.2Å; V98-F100 HydrophobicContact CG1-CE2 3.72Å; V98-F100 HydrophobicContact CG1-CZ 4.25Å; V98-A136 CarbonylContact C-O 3.56Å; V98-A136 WeakPolarHBondContact CA-O 3.32Å; V98-V138 HydrophobicContact CG1-CB 4.3Å; V98-V138 HydrophobicContact CG1-CG2 3.38Å; V98-F192 HydrophobicContact CB-CZ 4.32Å; V98-F192 HydrophobicContact CG1-CE1 3.96Å; V98-F192 HydrophobicContact CG1-CE2 4.33Å; V98-F192 HydrophobicContact CG1-CZ 3.64Å; V98-F192 HydrophobicContact CG2-CD1 3.96Å; V98-F192 HydrophobicContact CG2-CD2 4.27Å; V98-F192 HydrophobicContact CG2-CE1 3.79Å; V98-F192 HydrophobicContact CG2-CE2 4.08Å; V98-F192 HydrophobicContact CG2-CG 4.22Å; V98-F192 HydrophobicContact CG2-CZ 3.87Å
99L96.2Very high91.9Very high6 Ų633.3 Ų33.33%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-88.5117.6174175.867.3000109.6T23 K120 V121 A136 V137 V138T23-L99 HydrophobicContact CG2-CB 4.06Å; T23-L99 HydrophobicContact CG2-CD1 3.79Å; L99-K120 HydrophobicContact CD1-CB 4.49Å; L99-K120 HydrophobicContact CD2-CB 3.83Å; L99-V121 HydrophobicContact CD2-CG2 3.6Å; L99-A136 PolarHBondContact N-O 2.98Å; L99-V137 HydrophobicContact CB-CG2 4.32Å; L99-V137 HydrophobicContact CD2-CG2 4.39Å; L99-V137 CarbonylContact O-C 3.57Å; L99-V137 WeakPolarHBondContact O-CA 3.28Å; L99-V138 PolarHBondContact O-N 2.93Å
100F95.7Very high91.8Very high3 Ų333.9 Ų33.91%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-86.2133.7168.2-72.7-99.8000109.4L22 T23 L25 I36 F40 V98 V138 I140 L175L22-F100 HydrophobicContact CB-CD2 4.44Å; L22-F100 HydrophobicContact CB-CE2 4.06Å; L22-F100 HydrophobicContact CD1-CE2 4.3Å; L22-F100 HydrophobicContact CD2-CE2 3.97Å; L22-F100 HydrophobicContact CG-CE2 4.31Å; T23-F100 PolarHBondContact O-N 3.12Å; L25-F100 HydrophobicContact CD1-CD2 3.84Å; L25-F100 HydrophobicContact CD1-CE2 4.05Å; L25-F100 HydrophobicContact CD1-CG 4.11Å; L25-F100 HydrophobicContact CD1-CZ 4.47Å; L25-F100 HydrophobicContact CD2-CB 3.6Å; L25-F100 HydrophobicContact CD2-CD1 3.89Å; L25-F100 HydrophobicContact CD2-CD2 4.18Å; L25-F100 HydrophobicContact CD2-CG 3.61Å; L25-F100 HydrophobicContact CG-CB 3.84Å; L25-F100 HydrophobicContact CG-CD1 4.39Å; L25-F100 HydrophobicContact CG-CD2 3.79Å; L25-F100 HydrophobicContact CG-CE2 4.49Å; L25-F100 HydrophobicContact CG-CG 3.74Å; I36-F100 HydrophobicContact CG2-CD1 4.42Å; I36-F100 HydrophobicContact CG2-CE1 3.91Å; I36-F100 HydrophobicContact CG2-CZ 4.41Å; F40-F100 HydrophobicContact CE2-CE1 4.31Å; F40-F100 AromaticContact CE2-CZ 3.7Å; F40-F100 HydrophobicContact CE2-CZ 3.7Å; F40-F100 HydrophobicContact CZ-CZ 4.04Å; V98-F100 HydrophobicContact CB-CE2 4.27Å; V98-F100 HydrophobicContact CG1-CD2 4.2Å; V98-F100 HydrophobicContact CG1-CE2 3.72Å; V98-F100 HydrophobicContact CG1-CZ 4.25Å; F100-V138 WeakPolarHBondContact CA-O 3.17Å; F100-V138 HydrophobicContact CD1-CB 3.8Å; F100-V138 HydrophobicContact CD1-CG1 3.77Å; F100-V138 HydrophobicContact CE1-CB 3.79Å; F100-V138 HydrophobicContact CE1-CG1 3.58Å; F100-V138 HydrophobicContact CE1-CG2 4.13Å; F100-V138 HydrophobicContact CG-CB 4.3Å; F100-V138 HydrophobicContact CZ-CB 4.24Å; F100-V138 HydrophobicContact CZ-CG1 4.37Å; F100-V138 HydrophobicContact CZ-CG2 4.13Å; F100-I140 HydrophobicContact CB-CD1 4.07Å; F100-I140 HydrophobicContact CD1-CD1 4.05Å; F100-I140 HydrophobicContact CD1-CG1 4.04Å; F100-L175 HydrophobicContact CD1-CD2 4.47Å; F100-L175 HydrophobicContact CE1-CD2 3.9Å
101Y94.5Very high91.5Very high10 Ų1041.5 Ų41.54%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-143.4128.8-178.9-168.7-103.5000110.1L103 K113 E116 C117 K120 V138 L139 I140Y101-L103 HydrophobicContact CD1-CB 3.76Å; Y101-L103 HydrophobicContact CD1-CD2 4.31Å; Y101-L103 HydrophobicContact CE1-CB 3.91Å; Y101-L103 HydrophobicContact CE1-CD2 4.14Å; Y101-L103 PolarHBondContact O-N 2.81Å; Y101-K113 HydrophobicContact CE1-CB 4.43Å; Y101-K113 HydrophobicContact CE1-CD 4.45Å; Y101-K113 VanDerWaalsContact OH-CD 3.25Å; Y101-K113 WeakPolarHBondContact OH-CD 3.49Å; Y101-K113 PolarHBondContact OH-O 2.86Å; Y101-K113 VanDerWaalsContact OH-O 3.09Å; Y101-E116 HydrophobicContact CE2-CG 4.3Å; Y101-E116 WeakPolarHBondContact OH-CB 3.5Å; Y101-E116 PolarHBondContact OH-OE2 2.81Å; Y101-C117 HydrophobicContact CD1-CB 3.94Å; Y101-C117 HydrophobicContact CD2-CB 4.44Å; Y101-C117 HydrophobicContact CE1-CB 3.81Å; Y101-C117 HydrophobicContact CE2-CB 4.33Å; Y101-C117 HydrophobicContact CG-CB 4.24Å; Y101-K120 HydrophobicContact CD2-CD 4.12Å; Y101-K120 HydrophobicContact CE2-CD 4.01Å; Y101-V138 PolarHBondContact N-O 2.89Å; Y101-L139 HydrophobicContact CD1-CD2 4.39Å; Y101-L139 CarbonylContact O-C 3.57Å; Y101-L139 VanDerWaalsContact O-CA 3.31Å; Y101-L139 WeakPolarHBondContact O-CA 3.47Å; Y101-I140 PolarHBondContact O-N 2.88Å
102E91.6Very high91.4Very high91 Ų9144.7 Ų44.743%0.42522%0.222SC..EExtended strand (participates in β ladder)trans-78.9111.7177.6-64.2-176.6175.900109.5N30 H33 I140N30-E102 PolarHBondContact ND2-OE1 3.33Å; H33-E102 IonicContact CD2-OE1 3.19Å; H33-E102 IonicContact CE1-OE1 3.95Å; H33-E102 PolarHBondContact CE1-OE1 2.92Å; H33-E102 IonicContact NE2-OE1 2.63Å; H33-E102 PolarHBondContact NE2-OE1 2.87Å; H33-E102 VanDerWaalsContact NE2-OE1 3.08Å; E102-I140 HydrophobicContact CG-CB 4.23Å; E102-I140 HydrophobicContact CG-CD1 4.29Å
103L91.1Very high91.4Very high3 Ų343.8 Ų43.82%0.01622%0.215CC..  trans-161.3115.5-179.6-179.358.8000111.7Y101 D107 W110 K113 L139 I140 Q141 L161Y101-L103 HydrophobicContact CD1-CB 3.76Å; Y101-L103 HydrophobicContact CD1-CD2 4.31Å; Y101-L103 HydrophobicContact CE1-CB 3.91Å; Y101-L103 HydrophobicContact CE1-CD2 4.14Å; Y101-L103 PolarHBondContact O-N 2.81Å; L103-D107 HydrophobicContact CD1-CB 3.95Å; L103-W110 HydrophobicContact CD1-CE3 4.06Å; L103-W110 HydrophobicContact CD1-CZ3 3.99Å; L103-W110 HydrophobicContact CD2-CE3 4.28Å; L103-W110 HydrophobicContact CD2-CH2 3.83Å; L103-W110 HydrophobicContact CD2-CZ3 3.61Å; L103-W110 HydrophobicContact CG-CE3 4.31Å; L103-W110 HydrophobicContact CG-CH2 4.4Å; L103-W110 HydrophobicContact CG-CZ3 3.73Å; L103-K113 HydrophobicContact CD1-CB 3.65Å; L103-K113 HydrophobicContact CD1-CG 4.11Å; L103-L139 HydrophobicContact CB-CD2 4.27Å; L103-I140 PolarHBondContact N-O 2.81Å; L103-Q141 WeakPolarHBondContact O-CG 3.32Å; L103-Q141 PolarHBondContact O-NE2 3Å; L103-L161 HydrophobicContact CD2-CD2 4.49Å
104D88.6Confident91.3Very high28 Ų2845.2 Ų45.215%0.1522%0.222CC..  trans-87149.8173.2-70.6-54000111.5D106 D107 Q141 K142D104-D106 PolarHBondContact O-N 2.86Å; D104-D107 WeakPolarHBondContact O-CB 3.48Å; D104-D107 PolarHBondContact O-N 2.78Å; D104-Q141 WeakPolarHBondContact OD1-CA 3.5Å; D104-Q141 WeakPolarHBondContact OD1-CB 3.42Å; D104-K142 PolarHBondContact OD1-N 2.96Å
105W87.8Confident91.1Very high26 Ų2648.7 Ų48.710%0.09825%0.246CC..THydrogen-bonded Turntrans-67.6-18.1-178-65121.3000113.9W110 L139 Q141 A154 R157 A158 L172 V174W105-W110 AromaticContact CE3-CH2 3.57Å; W105-W110 HydrophobicContact CE3-CH2 3.57Å; W105-W110 AromaticContact CE3-CZ3 3.81Å; W105-W110 HydrophobicContact CE3-CZ3 3.81Å; W105-W110 AromaticContact CZ3-CH2 3.49Å; W105-W110 HydrophobicContact CZ3-CH2 3.49Å; W105-W110 VanDerWaalsContact CZ3-CH2 3.49Å; W105-W110 HydrophobicContact CZ3-CZ2 4.33Å; W105-W110 HydrophobicContact CZ3-CZ3 4.18Å; W105-L139 HydrophobicContact CH2-CD1 3.62Å; W105-L139 HydrophobicContact CZ2-CD1 3.89Å; W105-L139 HydrophobicContact CZ3-CD1 4.15Å; W105-Q141 VanDerWaalsContact CE2-NE2 3.33Å; W105-A154 HydrophobicContact CB-CB 4.42Å; W105-A154 HydrophobicContact CD2-CB 4Å; W105-A154 HydrophobicContact CG-CB 3.83Å; W105-R157 HydrophobicContact CE3-CB 3.56Å; W105-R157 HydrophobicContact CZ3-CB 3.74Å; W105-R157 WeakPolarHBondContact O-CD 3.47Å; W105-R157 PolarHBondContact O-NE 3.29Å; W105-R157 PolarHBondContact O-NH1 3.45Å; W105-A158 HydrophobicContact CH2-CB 3.5Å; W105-A158 VanDerWaalsContact CH2-CB 3.5Å; W105-A158 HydrophobicContact CZ2-CB 4.18Å; W105-A158 HydrophobicContact CZ3-CB 4.01Å; W105-A158 VanDerWaalsContact CZ3-N 3.35Å; W105-L172 HydrophobicContact CH2-CD2 4.32Å; W105-V174 HydrophobicContact CZ2-CG2 3.83Å
106D83.9Confident91Very high94 Ų9451.8 Ų51.850%0.50326%0.26SS..THydrogen-bonded Turntrans-104.713.817961.1-29.1000113.2D104 K143D104-D106 PolarHBondContact O-N 2.86Å; D106-K143 IonicContact OD1-NZ 2.74Å; D106-K143 IonicContact OD2-NZ 3.18Å; D106-K143 PolarHBondContact OD2-NZ 2.77Å
107D86.1Confident90.9Very high36 Ų3651.8 Ų51.819%0.19326%0.26CS..  trans-58.5128.7-178.9-166.2-59.3000111.7L103 D104 Q109 W110 R157L103-D107 HydrophobicContact CD1-CB 3.95Å; D104-D107 WeakPolarHBondContact O-CB 3.48Å; D104-D107 PolarHBondContact O-N 2.78Å; D107-Q109 PolarHBondContact O-N 2.85Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.37Å; D107-Q109 PolarHBondContact OD1-N 2.63Å; D107-W110 PolarHBondContact O-N 2.83Å; D107-R157 PolarHBondContact O-NH1 2.86Å
108P84.6Confident90.7Very high129 Ų12952.8 Ų52.884%0.83827%0.269SS*.THydrogen-bonded Turntrans-66.5-23.6-178.726.9-34.8000113.2
109Q89.6Confident90.6Very high109 Ų10956.6 Ų56.651%0.50929%0.292SS..THydrogen-bonded Turntrans-101.732179-64.7-176.5-46.500112.5D107 K111 E112 K113D107-Q109 PolarHBondContact O-N 2.85Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.37Å; D107-Q109 PolarHBondContact OD1-N 2.63Å; Q109-K111 PolarHBondContact O-N 2.87Å; Q109-K111 VanDerWaalsContact O-N 3.16Å; Q109-E112 PolarHBondContact O-N 2.8Å; Q109-E112 VanDerWaalsContact O-N 3.1Å; Q109-K113 PolarHBondContact O-N 2.86Å; Q109-K113 VanDerWaalsContact O-N 3.07Å
110W88.9Confident90.4Very high25 Ų2560.1 Ų60.110%0.09531%0.307CS..Hα-helixtrans-45.7-50.4-174.4179.5-96.8000115L103 W105 D107 E112 K113 Q114 R157 L161L103-W110 HydrophobicContact CD1-CE3 4.06Å; L103-W110 HydrophobicContact CD1-CZ3 3.99Å; L103-W110 HydrophobicContact CD2-CE3 4.28Å; L103-W110 HydrophobicContact CD2-CH2 3.83Å; L103-W110 HydrophobicContact CD2-CZ3 3.61Å; L103-W110 HydrophobicContact CG-CE3 4.31Å; L103-W110 HydrophobicContact CG-CH2 4.4Å; L103-W110 HydrophobicContact CG-CZ3 3.73Å; W105-W110 AromaticContact CE3-CH2 3.57Å; W105-W110 HydrophobicContact CE3-CH2 3.57Å; W105-W110 AromaticContact CE3-CZ3 3.81Å; W105-W110 HydrophobicContact CE3-CZ3 3.81Å; W105-W110 AromaticContact CZ3-CH2 3.49Å; W105-W110 HydrophobicContact CZ3-CH2 3.49Å; W105-W110 VanDerWaalsContact CZ3-CH2 3.49Å; W105-W110 HydrophobicContact CZ3-CZ2 4.33Å; W105-W110 HydrophobicContact CZ3-CZ3 4.18Å; D107-W110 PolarHBondContact O-N 2.83Å; W110-E112 PolarHBondContact O-N 3.26Å; W110-K113 PolarHBondContact O-N 3.33Å; W110-Q114 WeakPolarHBondContact O-CB 3.44Å; W110-Q114 PolarHBondContact O-N 2.9Å; W110-R157 HydrophobicContact CD2-CG 4.22Å; W110-R157 HydrophobicContact CH2-CB 3.73Å; W110-R157 HydrophobicContact CH2-CG 4.33Å; W110-R157 HydrophobicContact CZ2-CB 3.49Å; W110-R157 VanDerWaalsContact CZ2-CB 3.49Å; W110-R157 HydrophobicContact CZ2-CG 3.91Å; W110-R157 WeakPolarHBondContact CZ2-O 3.41Å; W110-R157 HydrophobicContact CZ3-CB 4.36Å; W110-L161 HydrophobicContact CZ2-CB 4.38Å
111K87.8Confident90.3Very high176 Ų17660 Ų6077%0.76531%0.306SS*.Hα-helixtrans-65.1-37.2-175.9-72.3-173.4177.3-179.30112.9Q109 S115Q109-K111 PolarHBondContact O-N 2.87Å; Q109-K111 VanDerWaalsContact O-N 3.16Å; K111-S115 PolarHBondContact O-N 2.92Å; K111-S115 VanDerWaalsContact O-N 3.12Å
112E90.1Very high90.1Very high125 Ų12564.2 Ų64.258%0.58433%0.326SS*.Hα-helixtrans-69.8-48178.1-174.8178.8178.200110.3Q109 W110 Q114 S115 E116Q109-E112 PolarHBondContact O-N 2.8Å; Q109-E112 VanDerWaalsContact O-N 3.1Å; W110-E112 PolarHBondContact O-N 3.26Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.95Å; E112-S115 WeakPolarHBondContact O-CB 3.38Å; E112-S115 PolarHBondContact O-N 2.87Å; E112-S115 VanDerWaalsContact O-N 3.14Å; E112-E116 PolarHBondContact O-N 2.83Å
113K90.5Very high90.2Very high56 Ų5663.7 Ų63.724%0.24333%0.326CS..Hα-helixtrans-63.5-35.9177-71.2-68.4178.7-171.20113.2Y101 L103 Q109 W110 E116 C117Y101-K113 HydrophobicContact CE1-CB 4.43Å; Y101-K113 HydrophobicContact CE1-CD 4.45Å; Y101-K113 VanDerWaalsContact OH-CD 3.25Å; Y101-K113 WeakPolarHBondContact OH-CD 3.49Å; Y101-K113 PolarHBondContact OH-O 2.86Å; Y101-K113 VanDerWaalsContact OH-O 3.09Å; L103-K113 HydrophobicContact CD1-CB 3.65Å; L103-K113 HydrophobicContact CD1-CG 4.11Å; Q109-K113 PolarHBondContact O-N 2.86Å; Q109-K113 VanDerWaalsContact O-N 3.07Å; W110-K113 PolarHBondContact O-N 3.33Å; K113-E116 IonicContact NZ-OE2 2.74Å; K113-E116 PolarHBondContact NZ-OE2 3.37Å; K113-C117 WeakPolarHBondContact O-CB 3.32Å; K113-C117 PolarHBondContact O-N 3.42Å
114Q91.9Very high90.2Very high33 Ų3363.8 Ų63.815%0.15433%0.326CS..Hα-helixtrans-61.5-46.6172.2179.9-178.27.900111W110 E112 C117 A118 A160 L161 S164W110-Q114 WeakPolarHBondContact O-CB 3.44Å; W110-Q114 PolarHBondContact O-N 2.9Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.95Å; Q114-C117 PolarHBondContact O-N 2.85Å; Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 2.92Å; Q114-A160 VanDerWaalsContact NE2-C 3.33Å; Q114-A160 PolarHBondContact NE2-O 2.82Å; Q114-L161 HydrophobicContact CB-CD1 4.4Å; Q114-L161 HydrophobicContact CG-CD1 3.89Å; Q114-S164 WeakPolarHBondContact CG-OG 3.46Å; Q114-S164 PolarHBondContact NE2-OG 2.81Å; Q114-S164 VanDerWaalsContact NE2-OG 3.09Å
115S90.9Very high90.3Very high72 Ų7265.3 Ų65.350%0.50333%0.33SS..Hα-helixtrans-63.6-44.3177.2-170.50000111.9K111 E112 C117 A118 T119K111-S115 PolarHBondContact O-N 2.92Å; K111-S115 VanDerWaalsContact O-N 3.12Å; E112-S115 WeakPolarHBondContact O-CB 3.38Å; E112-S115 PolarHBondContact O-N 2.87Å; E112-S115 VanDerWaalsContact O-N 3.14Å; S115-C117 PolarHBondContact O-N 2.88Å; S115-A118 PolarHBondContact O-N 2.89Å; S115-T119 PolarHBondContact O-N 2.97Å; S115-T119 PolarHBondContact O-OG1 3.43Å; S115-T119 VanDerWaalsContact O-OG1 3.1Å
116E92.9Very high90.4Very high66 Ų6668.1 Ų68.131%0.30835%0.35SS..Hα-helixtrans-60-45.5177.7-174.6-164154.800111.4Y101 E112 K113 A118 T119 K120Y101-E116 HydrophobicContact CE2-CG 4.3Å; Y101-E116 WeakPolarHBondContact OH-CB 3.5Å; Y101-E116 PolarHBondContact OH-OE2 2.81Å; E112-E116 PolarHBondContact O-N 2.83Å; K113-E116 IonicContact NZ-OE2 2.74Å; K113-E116 PolarHBondContact NZ-OE2 3.37Å; E116-A118 PolarHBondContact O-N 2.9Å; E116-T119 PolarHBondContact O-N 2.83Å; E116-K120 PolarHBondContact O-N 2.86Å; E116-K120 WeakPolarHBondContact OE1-CE 3.2Å; E116-K120 IonicContact OE1-NZ 3.1Å; E116-K120 PolarHBondContact OE1-NZ 2.81Å
117C92.6Very high90.7Very high0 Ų065.2 Ų65.20%034%0.337CS..Hα-helixtrans-61.2-44.1175.7-175.40000111.6Y101 K113 Q114 S115 T119 K120 V121 L161Y101-C117 HydrophobicContact CD1-CB 3.94Å; Y101-C117 HydrophobicContact CD2-CB 4.44Å; Y101-C117 HydrophobicContact CE1-CB 3.81Å; Y101-C117 HydrophobicContact CE2-CB 4.33Å; Y101-C117 HydrophobicContact CG-CB 4.24Å; K113-C117 WeakPolarHBondContact O-CB 3.32Å; K113-C117 PolarHBondContact O-N 3.42Å; Q114-C117 PolarHBondContact O-N 2.85Å; S115-C117 PolarHBondContact O-N 2.88Å; C117-T119 PolarHBondContact O-N 2.9Å; C117-K120 PolarHBondContact O-N 2.78Å; C117-V121 WeakPolarHBondContact O-CG2 3.41Å; C117-V121 PolarHBondContact O-N 2.79Å; C117-L161 HydrophobicContact CB-CD1 4.22Å
118A93.1Very high90.9Very high21 Ų2164 Ų6417%0.17433%0.331CS..Hα-helixtrans-61.4-42.1177.900000111.9Q114 S115 E116 K120 V121 E122Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 2.92Å; S115-A118 PolarHBondContact O-N 2.89Å; E116-A118 PolarHBondContact O-N 2.9Å; A118-K120 PolarHBondContact O-N 2.88Å; A118-V121 PolarHBondContact O-N 2.84Å; A118-E122 PolarHBondContact O-N 2.77Å
119T93.3Very high90.9Very high79 Ų7965.4 Ų65.449%0.48533%0.326SS..Hα-helixtrans-61.4-44.2174.5-55.10000111.9S115 E116 C117 V121 E122 I123S115-T119 PolarHBondContact O-N 2.97Å; S115-T119 PolarHBondContact O-OG1 3.43Å; S115-T119 VanDerWaalsContact O-OG1 3.1Å; E116-T119 PolarHBondContact O-N 2.83Å; C117-T119 PolarHBondContact O-N 2.9Å; T119-V121 PolarHBondContact O-N 2.91Å; T119-E122 PolarHBondContact O-N 3.44Å; T119-I123 HydrophobicContact CG2-CD1 4.36Å; T119-I123 WeakPolarHBondContact O-CG1 3.16Å; T119-I123 PolarHBondContact O-N 3.4Å
120K92.7Very high90.5Very high80 Ų8062.4 Ų62.435%0.34832%0.324SS..Hα-helixtrans-62.4-40.5177-74.9175.1171.5169.20112.3L99 Y101 E116 C117 A118 E122 I123 V124L99-K120 HydrophobicContact CD1-CB 4.49Å; L99-K120 HydrophobicContact CD2-CB 3.83Å; Y101-K120 HydrophobicContact CD2-CD 4.12Å; Y101-K120 HydrophobicContact CE2-CD 4.01Å; E116-K120 PolarHBondContact O-N 2.86Å; E116-K120 WeakPolarHBondContact OE1-CE 3.2Å; E116-K120 IonicContact OE1-NZ 3.1Å; E116-K120 PolarHBondContact OE1-NZ 2.81Å; C117-K120 PolarHBondContact O-N 2.78Å; A118-K120 PolarHBondContact O-N 2.88Å; K120-E122 VanDerWaalsContact C-N 3.32Å; K120-E122 PolarHBondContact O-N 2.99Å; K120-I123 PolarHBondContact O-N 3.47Å; K120-V124 WeakPolarHBondContact O-CG2 3.36Å; K120-V124 PolarHBondContact O-N 3.28Å
121V93.1Very high90.3Very high0 Ų062.9 Ų62.90%033%0.326CS..Hα-helixtrans-62.4-40.5173.9172.20000111.2L99 C117 A118 T119 V124 R125 V135 V137 C165L99-V121 HydrophobicContact CD2-CG2 3.6Å; C117-V121 WeakPolarHBondContact O-CG2 3.41Å; C117-V121 PolarHBondContact O-N 2.79Å; A118-V121 PolarHBondContact O-N 2.84Å; T119-V121 PolarHBondContact O-N 2.91Å; V121-V124 PolarHBondContact O-N 3.07Å; V121-R125 PolarHBondContact O-N 3.14Å; V121-V135 HydrophobicContact CG1-CG1 4.29Å; V121-V137 HydrophobicContact CG2-CG2 3.68Å; V121-C165 HydrophobicContact CG1-CB 4.45Å; V121-C165 HydrophobicContact CG2-CB 4.34Å
122E91.7Very high90.3Very high99 Ų9957.8 Ų57.846%0.46331%0.307SS..Hα-helixtrans-69.1-36-179.3-166.954.8-148.600113.1A118 T119 K120 V124 R125 T126A118-E122 PolarHBondContact O-N 2.77Å; T119-E122 PolarHBondContact O-N 3.44Å; K120-E122 VanDerWaalsContact C-N 3.32Å; K120-E122 PolarHBondContact O-N 2.99Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 3.32Å; E122-R125 IonicContact OE2-NH1 3.76Å; E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 PolarHBondContact O-N 3.45Å; E122-T126 PolarHBondContact O-OG1 2.89Å
123I92.3Very high90.4Very high81 Ų8152.5 Ų52.542%0.41528%0.283SS..Hα-helixtrans-58.4-48.6171.5-67.3166.2000110.1T119 K120 R125 T126 S127T119-I123 HydrophobicContact CG2-CD1 4.36Å; T119-I123 WeakPolarHBondContact O-CG1 3.16Å; T119-I123 PolarHBondContact O-N 3.4Å; K120-I123 PolarHBondContact O-N 3.47Å; I123-R125 PolarHBondContact O-N 3.07Å; I123-T126 PolarHBondContact O-N 3.47Å; I123-S127 PolarHBondContact O-N 2.84Å
124V92.1Very high90.4Very high4 Ų452.9 Ų52.92%0.02429%0.285CS..Hα-helixtrans-61.1-44.2177.7173.60000110.7T23 V97 K120 V121 E122 T126 S127 L128 V135T23-V124 HydrophobicContact CG2-CG2 4.18Å; V97-V124 HydrophobicContact CB-CG1 4.09Å; V97-V124 HydrophobicContact CG1-CG1 3.69Å; K120-V124 WeakPolarHBondContact O-CG2 3.36Å; K120-V124 PolarHBondContact O-N 3.28Å; V121-V124 PolarHBondContact O-N 3.07Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 3.48Å; V124-T126 PolarHBondContact O-N 2.81Å; V124-S127 PolarHBondContact O-N 3.42Å; V124-S127 PolarHBondContact O-OG 2.99Å; V124-L128 HydrophobicContact CG1-CD1 3.96Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.41Å; V124-L128 VanDerWaalsContact O-N 3.16Å; V124-V135 HydrophobicContact CG1-CG1 4.48Å; V124-V135 HydrophobicContact CG1-CG2 4.16Å
125R90.4Very high90.5Very high60 Ų6052 Ų5223%0.22628%0.282CS..Hα-helixtrans-61.7-42.5176.3-79-169.3178.3122.94.3113.2V121 E122 I123 S127 L128 Q129 V135 C165 D166V121-R125 PolarHBondContact O-N 3.14Å; E122-R125 PolarHBondContact O-N 3.32Å; E122-R125 IonicContact OE2-NH1 3.76Å; I123-R125 PolarHBondContact O-N 3.07Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.06Å; R125-L128 CarbonylContact O-C 3.49Å; R125-L128 WeakPolarHBondContact O-CA 3.19Å; R125-L128 PolarHBondContact O-N 3.26Å; R125-Q129 PolarHBondContact O-N 3.4Å; R125-V135 HydrophobicContact CG-CG2 4.3Å; R125-C165 PolarHBondContact NH1-O 3.26Å; R125-C165 PolarHBondContact NH2-O 3Å; R125-D166 VanDerWaalsContact NH2-C 3.32Å; R125-D166 PolarHBondContact NH2-O 3.21Å
126T90.3Very high90.8Very high86 Ų8648.6 Ų48.653%0.52826%0.258SS..Hα-helixtrans-60.5-43.8177.9-59.50000110.6E122 I123 V124 L128 Q129E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 PolarHBondContact O-N 3.45Å; E122-T126 PolarHBondContact O-OG1 2.89Å; I123-T126 PolarHBondContact O-N 3.47Å; V124-T126 PolarHBondContact O-N 2.81Å; T126-L128 PolarHBondContact O-N 2.95Å; T126-Q129 WeakPolarHBondContact O-CB 3.42Å; T126-Q129 PolarHBondContact O-N 3.48Å
127S90.3Very high90.9Very high33 Ų3345.5 Ų45.523%0.23124%0.244CC..Hα-helixtrans-62.9-26.417578.70000113.6Y62 I123 V124 R125Y62-S127 VanDerWaalsContact CD2-OG 3.3Å; Y62-S127 WeakPolarHBondContact CD2-OG 3.4Å; Y62-S127 WeakPolarHBondContact CE2-OG 3.49Å; I123-S127 PolarHBondContact O-N 2.84Å; V124-S127 PolarHBondContact O-N 3.42Å; V124-S127 PolarHBondContact O-OG 2.99Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.06Å
128L89.3Confident91.1Very high9 Ų945.5 Ų45.55%0.04724%0.244CC..THydrogen-bonded Turntrans-94.67.3-179.9-68.7172.2000113.7Y62 V97 V124 R125 T126 G130 R131 T133 V135Y62-L128 HydrophobicContact CD1-CD2 4.32Å; Y62-L128 HydrophobicContact CD2-CD2 3.46Å; Y62-L128 VanDerWaalsContact CD2-CD2 3.46Å; Y62-L128 HydrophobicContact CD2-CG 3.96Å; Y62-L128 HydrophobicContact CE2-CD2 3.78Å; Y62-L128 HydrophobicContact CE2-CG 4.11Å; Y62-L128 HydrophobicContact CG-CD2 3.75Å; V97-L128 HydrophobicContact CB-CD1 4.44Å; V97-L128 HydrophobicContact CG2-CD1 3.83Å; V97-L128 HydrophobicContact CG2-CD2 4.41Å; V124-L128 HydrophobicContact CG1-CD1 3.96Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.41Å; V124-L128 VanDerWaalsContact O-N 3.16Å; R125-L128 CarbonylContact O-C 3.49Å; R125-L128 WeakPolarHBondContact O-CA 3.19Å; R125-L128 PolarHBondContact O-N 3.26Å; T126-L128 PolarHBondContact O-N 2.95Å; L128-G130 PolarHBondContact O-N 3.04Å; L128-R131 VanDerWaalsContact O-CB 3.26Å; L128-R131 WeakPolarHBondContact O-CB 3.43Å; L128-R131 PolarHBondContact O-N 2.79Å; L128-T133 HydrophobicContact CD1-CG2 3.9Å; L128-T133 HydrophobicContact CD2-CG2 4.02Å; L128-V135 HydrophobicContact CD1-CG2 3.93Å
129Q85.1Confident91.1Very high160 Ų16044.5 Ų44.575%0.74824%0.235SC*.THydrogen-bonded Turntrans-50.8127.3-172.9-165.2-178.224.600112.6R125 T126 R131R125-Q129 PolarHBondContact O-N 3.4Å; T126-Q129 WeakPolarHBondContact O-CB 3.42Å; T126-Q129 PolarHBondContact O-N 3.48Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.27Å
130G81.2Confident91.1Very high45 Ų4541.3 Ų41.346%0.46422%0.215SC..THydrogen-bonded Turntrans80.71.6-178.500000115.5C65 L128C65-G130 PolarHBondContact SG-O 2.98Å; L128-G130 PolarHBondContact O-N 3.04Å
131R85.9Confident91Very high36 Ų3637.7 Ų37.714%0.13620%0.199CC..  trans-97.2154169.9-55.7-55.5-163.81045.9110.9P63 L128 Q129 T133P63-R131 VanDerWaalsContact O-CZ 3.26Å; P63-R131 PolarHBondContact O-NE 2.77Å; P63-R131 PolarHBondContact O-NH2 2.98Å; L128-R131 VanDerWaalsContact O-CB 3.26Å; L128-R131 WeakPolarHBondContact O-CB 3.43Å; L128-R131 PolarHBondContact O-N 2.79Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.27Å; R131-T133 VanDerWaalsContact C-N 3.27Å
132N87.1Confident90.4Very high68 Ų6845.6 Ų45.636%0.36423%0.234SC..  trans-91.411.9175.3-67.3-18.5000112.3K134 Y199 E203N132-K134 PolarHBondContact O-N 2.89Å; N132-Y199 HydrophobicContact CB-CD2 4.43Å; N132-Y199 HydrophobicContact CB-CE2 4.1Å; N132-Y199 VanDerWaalsContact O-CD2 3.3Å; N132-Y199 WeakPolarHBondContact O-CD2 3.38Å; N132-E203 PolarHBondContact ND2-OE1 3.49Å
133T91.6Very high89.7Confident14 Ų1446.8 Ų46.89%0.08624%0.237CC..  trans-61.8131.5179.7-63.50000109.1P94 V97 L128 R131P94-T133 HydrophobicContact CG-CG2 4.16Å; P94-T133 WeakPolarHBondContact O-CB 3.44Å; P94-T133 WeakPolarHBondContact O-CG2 3.47Å; P94-T133 PolarHBondContact O-OG1 2.88Å; V97-T133 HydrophobicContact CG2-CG2 3.88Å; L128-T133 HydrophobicContact CD1-CG2 3.9Å; L128-T133 HydrophobicContact CD2-CG2 4.02Å; R131-T133 VanDerWaalsContact C-N 3.27Å
134K91.3Very high88.7Confident64 Ų6447 Ų4728%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-80.5155.2178.8-65.8-174.8174.7-173.50110.7A95 L96 V97 N132 H195A95-K134 PolarHBondContact O-N 3.07Å; L96-K134 WeakPolarHBondContact CA-O 3.35Å; L96-K134 HydrophobicContact CD1-CB 3.68Å; V97-K134 PolarHBondContact N-O 3.17Å; N132-K134 PolarHBondContact O-N 2.89Å; K134-H195 HydrophobicContact CD-CB 4.21Å; K134-H195 PolarHBondContact NZ-ND1 2.68Å
135V94.1Very high87.5Confident16 Ų1649.3 Ų49.310%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-118.2135.2171.9-176.80000108.7V97 V121 V124 R125 L128 L167V97-V135 CarbonylContact O-C 3.6Å; V97-V135 WeakPolarHBondContact O-CA 3.42Å; V121-V135 HydrophobicContact CG1-CG1 4.29Å; V124-V135 HydrophobicContact CG1-CG1 4.48Å; V124-V135 HydrophobicContact CG1-CG2 4.16Å; R125-V135 HydrophobicContact CG-CG2 4.3Å; L128-V135 HydrophobicContact CD1-CG2 3.93Å; V135-L167 HydrophobicContact CB-CD2 4.49Å; V135-L167 WeakPolarHBondContact O-CD2 3.46Å
136A95.9Very high86.3Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-130.9156.2172.500000110.3L96 V97 V98 L99 S171 F173L96-A136 HydrophobicContact CD1-CB 3.91Å; V97-A136 PolarHBondContact O-N 3.34Å; V98-A136 CarbonylContact C-O 3.56Å; V98-A136 WeakPolarHBondContact CA-O 3.32Å; L99-A136 PolarHBondContact N-O 2.98Å; A136-S171 CarbonylContact C-O 3.54Å; A136-S171 WeakPolarHBondContact CA-O 3.35Å; A136-S171 VanDerWaalsContact CB-O 3.31Å; A136-S171 WeakPolarHBondContact CB-O 3.49Å; A136-F173 HydrophobicContact CB-CD2 4.46Å; A136-F173 HydrophobicContact CB-CE2 4.02Å
137V96.3Very high85Confident1 Ų150.7 Ų50.71%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-119.4134.4177.8173.10000109.4L99 V121 L139 L167 S171 L172 F173L99-V137 HydrophobicContact CB-CG2 4.32Å; L99-V137 HydrophobicContact CD2-CG2 4.39Å; L99-V137 CarbonylContact O-C 3.57Å; L99-V137 WeakPolarHBondContact O-CA 3.28Å; V121-V137 HydrophobicContact CG2-CG2 3.68Å; V137-L139 HydrophobicContact CG1-CD2 3.79Å; V137-L139 HydrophobicContact CG1-CG 4.48Å; V137-L167 HydrophobicContact CB-CD1 3.95Å; V137-L167 HydrophobicContact CG2-CD1 3.37Å; V137-S171 PolarHBondContact N-O 2.92Å; V137-L172 HydrophobicContact CB-CD1 3.97Å; V137-L172 HydrophobicContact CG1-CD1 3.87Å; V137-L172 CarbonylContact O-C 3.51Å; V137-L172 WeakPolarHBondContact O-CA 3.43Å; V137-F173 PolarHBondContact O-N 3.31Å
138V96Very high83.6Confident0 Ų055.8 Ų55.80%030%0.302CS..EExtended strand (participates in β ladder)trans-116.6117.6172.1179.40000108.1V98 L99 F100 Y101 F173 L175 L188 F192V98-V138 HydrophobicContact CG1-CB 4.3Å; V98-V138 HydrophobicContact CG1-CG2 3.38Å; L99-V138 PolarHBondContact O-N 2.93Å; F100-V138 WeakPolarHBondContact CA-O 3.17Å; F100-V138 HydrophobicContact CD1-CB 3.8Å; F100-V138 HydrophobicContact CD1-CG1 3.77Å; F100-V138 HydrophobicContact CE1-CB 3.79Å; F100-V138 HydrophobicContact CE1-CG1 3.58Å; F100-V138 HydrophobicContact CE1-CG2 4.13Å; F100-V138 HydrophobicContact CG-CB 4.3Å; F100-V138 HydrophobicContact CZ-CB 4.24Å; F100-V138 HydrophobicContact CZ-CG1 4.37Å; F100-V138 HydrophobicContact CZ-CG2 4.13Å; Y101-V138 PolarHBondContact N-O 2.89Å; V138-F173 CarbonylContact C-O 3.56Å; V138-F173 WeakPolarHBondContact CA-O 3.49Å; V138-F173 HydrophobicContact CG2-CB 4.16Å; V138-F173 HydrophobicContact CG2-CD2 4.31Å; V138-L175 HydrophobicContact CG1-CB 3.57Å; V138-L175 HydrophobicContact CG1-CD2 4.33Å; V138-L188 HydrophobicContact CG1-CD1 4.06Å; V138-L188 HydrophobicContact CG2-CD1 4.46Å; V138-L188 HydrophobicContact CG2-CD2 4.26Å; V138-F192 HydrophobicContact CG2-CE1 4.12Å; V138-F192 HydrophobicContact CG2-CZ 3.73Å
139L93.8Very high82.2Confident0 Ų058.9 Ų58.90%034%0.336CS..EExtended strand (participates in β ladder)trans-85.1120.1175-58.1-175.7000109.6Y101 L103 W105 V137 Q141 L161 L172 F173 L175Y101-L139 HydrophobicContact CD1-CD2 4.39Å; Y101-L139 CarbonylContact O-C 3.57Å; Y101-L139 VanDerWaalsContact O-CA 3.31Å; Y101-L139 WeakPolarHBondContact O-CA 3.47Å; L103-L139 HydrophobicContact CB-CD2 4.27Å; W105-L139 HydrophobicContact CH2-CD1 3.62Å; W105-L139 HydrophobicContact CZ2-CD1 3.89Å; W105-L139 HydrophobicContact CZ3-CD1 4.15Å; V137-L139 HydrophobicContact CG1-CD2 3.79Å; V137-L139 HydrophobicContact CG1-CG 4.48Å; L139-Q141 HydrophobicContact CB-CG 4.45Å; L139-L161 HydrophobicContact CD1-CD2 3.85Å; L139-L161 HydrophobicContact CD2-CD2 3.96Å; L139-L161 HydrophobicContact CG-CD2 4.38Å; L139-L172 HydrophobicContact CD1-CD1 4.18Å; L139-L172 HydrophobicContact CD2-CD1 4.47Å; L139-L172 HydrophobicContact CG-CD1 4Å; L139-F173 PolarHBondContact N-O 3.4Å; L139-L175 PolarHBondContact O-N 2.84Å
140I92.9Very high81Confident11 Ų1158 Ų586%0.05633%0.332CS..EExtended strand (participates in β ladder)trans-84117.5172.6-56.9170.5000107.1L25 V32 H33 I36 F100 Y101 E102 L103 L175L25-I140 HydrophobicContact CD2-CD1 4.05Å; V32-I140 HydrophobicContact CG1-CG2 4.37Å; H33-I140 WeakPolarHBondContact NE2-CD1 3.46Å; I36-I140 HydrophobicContact CD1-CD1 3.62Å; I36-I140 HydrophobicContact CD1-CG1 3.99Å; I36-I140 HydrophobicContact CD1-CG2 4.21Å; F100-I140 HydrophobicContact CB-CD1 4.07Å; F100-I140 HydrophobicContact CD1-CD1 4.05Å; F100-I140 HydrophobicContact CD1-CG1 4.04Å; Y101-I140 PolarHBondContact O-N 2.88Å; E102-I140 HydrophobicContact CG-CB 4.23Å; E102-I140 HydrophobicContact CG-CD1 4.29Å; L103-I140 PolarHBondContact N-O 2.81Å; I140-L175 WeakPolarHBondContact CA-O 3.42Å
141Q89.8Confident80.6Confident4 Ų458.2 Ų58.22%0.01932%0.323CS..EExtended strand (participates in β ladder)trans-117.5143.5-176.5-67.9-165.7-26.300111.4L103 D104 W105 L139 V174 L175 P176 H177L103-Q141 WeakPolarHBondContact O-CG 3.32Å; L103-Q141 PolarHBondContact O-NE2 3Å; D104-Q141 WeakPolarHBondContact OD1-CA 3.5Å; D104-Q141 WeakPolarHBondContact OD1-CB 3.42Å; W105-Q141 VanDerWaalsContact CE2-NE2 3.33Å; L139-Q141 HydrophobicContact CB-CG 4.45Å; Q141-V174 HydrophobicContact CB-CG1 4.34Å; Q141-V174 HydrophobicContact CG-CG1 3.97Å; Q141-L175 PolarHBondContact N-O 2.86Å; Q141-P176 CarbonylContact O-C 3.58Å; Q141-P176 WeakPolarHBondContact O-CA 3.36Å; Q141-H177 PolarHBondContact O-N 2.95Å
142K82.2Confident80Confident167 Ų16763.7 Ų63.773%0.72635%0.354SS*.SBendtrans-81.8-26.1177.8-65.7177.7-176.9171.70111.9D104D104-K142 PolarHBondContact OD1-N 2.96Å
143K77.1Confident79.7Confident123 Ų12364 Ų6454%0.53536%0.358SS..SBendtrans-101.3147.6179.8-63.9176.8-177.4173.90110.9D106D106-K143 IonicContact OD1-NZ 2.74Å; D106-K143 IonicContact OD2-NZ 3.18Å; D106-K143 PolarHBondContact OD2-NZ 2.77Å
144T70.1Confident79.2Confident85 Ų8564 Ų6452%0.52136%0.359SS..PPolyproline II helixtrans-68.1127.2169.533.90000110.1L146 P176 T178T144-L146 PolarHBondContact O-N 2.84Å; T144-P176 HydrophobicContact CG2-CB 4.41Å; T144-T178 HydrophobicContact CG2-CG2 3.6Å
145P66.3Low78.8Confident53 Ų5365 Ų6534%0.34438%0.375SS..PPolyproline II helixtrans-63.6137.9175.125.3-32.4000110.1V174P145-V174 HydrophobicContact CG-CG1 4.14Å
146L66.5Low78.4Confident106 Ų10671.3 Ų71.356%0.55540%0.403SS*.PPolyproline II helixtrans-65.4157.5172-68.8167.8000110.4T144 D151T144-L146 PolarHBondContact O-N 2.84Å; L146-D151 HydrophobicContact CB-CB 4.38Å; L146-D151 HydrophobicContact CD1-CB 4.3Å
147P63.6Low78.1Confident69 Ų6974.3 Ų74.345%0.44841%0.414SS..PPolyproline II helixtrans-52.5149.1177.7-24.532.8000113.3G149 E150P147-G149 PolarHBondContact O-N 2.86Å; P147-G149 VanDerWaalsContact O-N 3.15Å; P147-E150 WeakPolarHBondContact CD-OE2 3.16Å; P147-E150 PolarHBondContact O-N 3.02Å
148P59.2Low77.7Confident141 Ų14175.3 Ų75.392%0.91642%0.423SS*.THydrogen-bonded Turntrans-57.3120.6-179.2-19.329.8000111.5
149G61.3Low77.3Confident74 Ų7478.9 Ų78.976%0.76345%0.448SS*.THydrogen-bonded Turntrans106.3-12.5177.700000115.5P147P147-G149 PolarHBondContact O-N 2.86Å; P147-G149 VanDerWaalsContact O-N 3.15Å
150E59.6Low77Confident140 Ų14080.6 Ų80.665%0.65446%0.462SS*.SBendtrans-92.1-14.8178.7-67.5-178.5175.900113.2P147P147-E150 WeakPolarHBondContact CD-OE2 3.16Å; P147-E150 PolarHBondContact O-N 3.02Å
151D72.1Confident77Confident51 Ų5180.2 Ų80.227%0.27346%0.46SS..  trans-119.389.4178.3-169.2-14.7000111.4L146 V153 A154 S155L146-D151 HydrophobicContact CB-CB 4.38Å; L146-D151 HydrophobicContact CD1-CB 4.3Å; D151-V153 PolarHBondContact O-N 3.14Å; D151-V153 PolarHBondContact OD1-N 2.89Å; D151-V153 VanDerWaalsContact OD1-N 3.15Å; D151-A154 HydrophobicContact CB-CB 3.97Å; D151-A154 VanDerWaalsContact CG-CB 3.42Å; D151-A154 PolarHBondContact O-N 2.89Å; D151-A154 PolarHBondContact OD1-N 2.87Å; D151-A154 WeakPolarHBondContact OD2-CB 3.45Å; D151-S155 PolarHBondContact O-N 2.79Å
152L73.9Confident77Confident150 Ų15080.7 Ų80.779%0.78546%0.464SS*.Hα-helixtrans-61.1-32.8177.3-76.1157.2000112.1S155 E156L152-S155 PolarHBondContact O-N 2.73Å; L152-E156 PolarHBondContact O-N 2.85Å; L152-E156 VanDerWaalsContact O-N 3.08Å
153V80.1Confident77.5Confident74 Ų7477.1 Ų77.145%0.44846%0.46SS..Hα-helixtrans-71.5-43.5-177.9179.30000110.5D151 S155 E156 R157D151-V153 PolarHBondContact O-N 3.14Å; D151-V153 PolarHBondContact OD1-N 2.89Å; D151-V153 VanDerWaalsContact OD1-N 3.15Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 2.92Å; V153-E156 PolarHBondContact O-N 2.95Å; V153-R157 HydrophobicContact CG1-CG 4.33Å; V153-R157 VanDerWaalsContact O-CB 3.28Å; V153-R157 WeakPolarHBondContact O-CB 3.36Å; V153-R157 WeakPolarHBondContact O-CG 3.3Å; V153-R157 PolarHBondContact O-N 3.46Å
154A81.6Confident78.1Confident15 Ų1573.8 Ų73.812%0.12445%0.452CS..Hα-helixtrans-60.6-39.317400000112W105 D151 A158W105-A154 HydrophobicContact CB-CB 4.42Å; W105-A154 HydrophobicContact CD2-CB 4Å; W105-A154 HydrophobicContact CG-CB 3.83Å; D151-A154 HydrophobicContact CB-CB 3.97Å; D151-A154 VanDerWaalsContact CG-CB 3.42Å; D151-A154 PolarHBondContact O-N 2.89Å; D151-A154 PolarHBondContact OD1-N 2.87Å; D151-A154 WeakPolarHBondContact OD2-CB 3.45Å; A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 2.78Å
155S83.3Confident79.1Confident85 Ų8569.8 Ų69.859%0.59443%0.428SS*.Hα-helixtrans-65-46.7177.7-170.80000112.5D151 L152 V153 A158 S159D151-S155 PolarHBondContact O-N 2.79Å; L152-S155 PolarHBondContact O-N 2.73Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 2.92Å; S155-A158 PolarHBondContact O-N 2.87Å; S155-S159 PolarHBondContact O-N 2.93Å; S155-S159 VanDerWaalsContact O-N 3.08Å
156E86Confident80.2Confident148 Ų14873.2 Ų73.269%0.69244%0.443SS*.Hα-helixtrans-63.7-46.7177.6-172.4-177.9177.900111.5L152 V153 A158 S159 A160L152-E156 PolarHBondContact O-N 2.85Å; L152-E156 VanDerWaalsContact O-N 3.08Å; V153-E156 PolarHBondContact O-N 2.95Å; E156-A158 PolarHBondContact O-N 2.65Å; E156-S159 WeakPolarHBondContact O-CB 3.29Å; E156-S159 PolarHBondContact O-N 2.97Å; E156-A160 PolarHBondContact O-N 3Å
157R88.3Confident81.3Confident63 Ų6369.2 Ų69.224%0.23842%0.422CS..Hα-helixtrans-65.3-37.8178.6-75.7-173.3-177.5-150.40.6112.4W105 D107 W110 V153 A160 L161W105-R157 HydrophobicContact CE3-CB 3.56Å; W105-R157 HydrophobicContact CZ3-CB 3.74Å; W105-R157 WeakPolarHBondContact O-CD 3.47Å; W105-R157 PolarHBondContact O-NE 3.29Å; W105-R157 PolarHBondContact O-NH1 3.45Å; D107-R157 PolarHBondContact O-NH1 2.86Å; W110-R157 HydrophobicContact CD2-CG 4.22Å; W110-R157 HydrophobicContact CH2-CB 3.73Å; W110-R157 HydrophobicContact CH2-CG 4.33Å; W110-R157 HydrophobicContact CZ2-CB 3.49Å; W110-R157 VanDerWaalsContact CZ2-CB 3.49Å; W110-R157 HydrophobicContact CZ2-CG 3.91Å; W110-R157 WeakPolarHBondContact CZ2-O 3.41Å; W110-R157 HydrophobicContact CZ3-CB 4.36Å; V153-R157 HydrophobicContact CG1-CG 4.33Å; V153-R157 VanDerWaalsContact O-CB 3.28Å; V153-R157 WeakPolarHBondContact O-CB 3.36Å; V153-R157 WeakPolarHBondContact O-CG 3.3Å; V153-R157 PolarHBondContact O-N 3.46Å; R157-A160 PolarHBondContact O-N 3.25Å; R157-L161 WeakPolarHBondContact O-CB 3.18Å; R157-L161 PolarHBondContact O-N 2.84Å
158A87.7Confident82.5Confident23 Ų2369.1 Ų69.119%0.1942%0.423CS..Hα-helixtrans-62.6-43.4174.200000111.6W105 A154 S155 E156 L161 C162 L172W105-A158 HydrophobicContact CH2-CB 3.5Å; W105-A158 VanDerWaalsContact CH2-CB 3.5Å; W105-A158 HydrophobicContact CZ2-CB 4.18Å; W105-A158 HydrophobicContact CZ3-CB 4.01Å; W105-A158 VanDerWaalsContact CZ3-N 3.35Å; A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 2.78Å; S155-A158 PolarHBondContact O-N 2.87Å; E156-A158 PolarHBondContact O-N 2.65Å; A158-L161 PolarHBondContact O-N 3.36Å; A158-C162 WeakPolarHBondContact O-CB 3.37Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 2.87Å; A158-L172 HydrophobicContact CB-CD2 3.96Å
159S87.7Confident83.6Confident74 Ų7465.3 Ų65.352%0.51741%0.41SS..Hα-helixtrans-62.2-47.6175.6-172.50000111.3S155 E156 L161 C162 S163S155-S159 PolarHBondContact O-N 2.93Å; S155-S159 VanDerWaalsContact O-N 3.08Å; E156-S159 WeakPolarHBondContact O-CB 3.29Å; E156-S159 PolarHBondContact O-N 2.97Å; S159-L161 PolarHBondContact O-N 3.46Å; S159-C162 WeakPolarHBondContact O-CB 3.41Å; S159-C162 PolarHBondContact O-N 2.87Å; S159-S163 PolarHBondContact O-N 2.9Å; S159-S163 PolarHBondContact O-OG 3.07Å
160A89.1Confident84.8Confident37 Ų3770 Ų7031%0.30641%0.409SS..Hα-helixtrans-59.8-44.117800000112.5Q114 E156 R157 S163 S164Q114-A160 VanDerWaalsContact NE2-C 3.33Å; Q114-A160 PolarHBondContact NE2-O 2.82Å; E156-A160 PolarHBondContact O-N 3Å; R157-A160 PolarHBondContact O-N 3.25Å; A160-S163 PolarHBondContact O-N 2.91Å; A160-S164 PolarHBondContact O-N 2.87Å; A160-S164 PolarHBondContact O-OG 3.43Å
161L91.3Very high86.3Confident2 Ų263.9 Ų63.91%0.0138%0.381CS..Hα-helixtrans-65.6-41.1176.7-175.167.4000111.7L103 W110 Q114 C117 L139 R157 A158 S159 S163 S164 C165 L172L103-L161 HydrophobicContact CD2-CD2 4.49Å; W110-L161 HydrophobicContact CZ2-CB 4.38Å; Q114-L161 HydrophobicContact CB-CD1 4.4Å; Q114-L161 HydrophobicContact CG-CD1 3.89Å; C117-L161 HydrophobicContact CB-CD1 4.22Å; L139-L161 HydrophobicContact CD1-CD2 3.85Å; L139-L161 HydrophobicContact CD2-CD2 3.96Å; L139-L161 HydrophobicContact CG-CD2 4.38Å; R157-L161 WeakPolarHBondContact O-CB 3.18Å; R157-L161 PolarHBondContact O-N 2.84Å; A158-L161 PolarHBondContact O-N 3.36Å; S159-L161 PolarHBondContact O-N 3.46Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 2.94Å; L161-S164 WeakPolarHBondContact CA-OG 3.2Å; L161-S164 PolarHBondContact O-N 2.86Å; L161-S164 PolarHBondContact O-OG 2.74Å; L161-C165 VanDerWaalsContact O-CB 3.27Å; L161-C165 WeakPolarHBondContact O-CB 3.39Å; L161-C165 PolarHBondContact O-N 2.83Å; L161-C165 PolarHBondContact O-SG 2.85Å; L161-C165 VanDerWaalsContact O-SG 3.34Å; L161-L172 HydrophobicContact CD2-CD1 4.05Å; L161-L172 HydrophobicContact CD2-CD2 4.43Å
162C91.3Very high87.3Confident14 Ų1462.5 Ų62.510%0.09537%0.374CS..Hα-helixtrans-60-44.4174.6-72.50000111.5A158 S159 C165 D166 L167 L172A158-C162 WeakPolarHBondContact O-CB 3.37Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 2.87Å; S159-C162 WeakPolarHBondContact O-CB 3.41Å; S159-C162 PolarHBondContact O-N 2.87Å; C162-C165 CarbonylContact O-C 3.58Å; C162-C165 PolarHBondContact O-N 3.31Å; C162-D166 WeakPolarHBondContact O-CA 3.34Å; C162-D166 PolarHBondContact O-N 2.64Å; C162-L167 WeakPolarHBondContact CB-O 3.17Å; C162-L167 PolarHBondContact O-N 3.19Å; C162-L172 VanDerWaalsContact SG-CD2 3.54Å
163S91.4Very high88.3Confident93 Ų9357.1 Ų57.165%0.6534%0.344SS*.Hα-helixtrans-64.2-44.1177.2-63.30000112.6S159 A160 L161 C165 D166S159-S163 PolarHBondContact O-N 2.9Å; S159-S163 PolarHBondContact O-OG 3.07Å; A160-S163 PolarHBondContact O-N 2.91Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 2.94Å; S163-C165 VanDerWaalsContact C-N 3.29Å; S163-C165 PolarHBondContact O-N 2.96Å; S163-D166 PolarHBondContact O-N 2.92Å
164S90.3Very high88.8Confident52 Ų5255.5 Ų55.536%0.36433%0.334SS..Hα-helixtrans-67-32177.854.90000113Q114 A160 L161Q114-S164 WeakPolarHBondContact CG-OG 3.46Å; Q114-S164 PolarHBondContact NE2-OG 2.81Å; Q114-S164 VanDerWaalsContact NE2-OG 3.09Å; A160-S164 PolarHBondContact O-N 2.87Å; A160-S164 PolarHBondContact O-OG 3.43Å; L161-S164 WeakPolarHBondContact CA-OG 3.2Å; L161-S164 PolarHBondContact O-N 2.86Å; L161-S164 PolarHBondContact O-OG 2.74Å
165C90.6Very high89.3Confident2 Ų254.9 Ų54.91%0.01433%0.329CS..THydrogen-bonded Turntrans-91.40.4178.8-64.80000112.9V121 R125 L161 C162 S163 L167V121-C165 HydrophobicContact CG1-CB 4.45Å; V121-C165 HydrophobicContact CG2-CB 4.34Å; R125-C165 PolarHBondContact NH1-O 3.26Å; R125-C165 PolarHBondContact NH2-O 3Å; L161-C165 VanDerWaalsContact O-CB 3.27Å; L161-C165 WeakPolarHBondContact O-CB 3.39Å; L161-C165 PolarHBondContact O-N 2.83Å; L161-C165 PolarHBondContact O-SG 2.85Å; L161-C165 VanDerWaalsContact O-SG 3.34Å; C162-C165 CarbonylContact O-C 3.58Å; C162-C165 PolarHBondContact O-N 3.31Å; S163-C165 VanDerWaalsContact C-N 3.29Å; S163-C165 PolarHBondContact O-N 2.96Å; C165-L167 HydrophobicContact CB-CB 4.47Å; C165-L167 HydrophobicContact CB-CD1 3.6Å; C165-L167 HydrophobicContact CB-CG 3.76Å; C165-L167 PolarHBondContact O-N 2.92Å
166D89.1Confident89.5Confident125 Ų12550.8 Ų50.867%0.66830%0.3SS*.THydrogen-bonded Turntrans4843.6-171-172.436.1000113.3R125 C162 S163R125-D166 VanDerWaalsContact NH2-C 3.32Å; R125-D166 PolarHBondContact NH2-O 3.21Å; C162-D166 WeakPolarHBondContact O-CA 3.34Å; C162-D166 PolarHBondContact O-N 2.64Å; S163-D166 PolarHBondContact O-N 2.92Å
167L89.3Confident89.4Confident21 Ų2147.5 Ų47.511%0.1129%0.285CS..  trans-105.7146.7-180-66.1171.3000110.7V135 V137 C162 C165V135-L167 HydrophobicContact CB-CD2 4.49Å; V135-L167 WeakPolarHBondContact O-CD2 3.46Å; V137-L167 HydrophobicContact CB-CD1 3.95Å; V137-L167 HydrophobicContact CG2-CD1 3.37Å; C162-L167 WeakPolarHBondContact CB-O 3.17Å; C162-L167 PolarHBondContact O-N 3.19Å; C165-L167 HydrophobicContact CB-CB 4.47Å; C165-L167 HydrophobicContact CB-CD1 3.6Å; C165-L167 HydrophobicContact CB-CG 3.76Å; C165-L167 PolarHBondContact O-N 2.92Å
168S88.6Confident89Confident68 Ų6846.5 Ų46.548%0.47629%0.286SS..  trans-74.1147.5165.768.60000110.2K170 S171S168-K170 PolarHBondContact O-N 3.15Å; S168-S171 WeakPolarHBondContact O-CA 3.25Å; S168-S171 WeakPolarHBondContact O-CB 3.4Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 PolarHBondContact OG-OG 3.37Å
169G82.4Confident88.3Confident61 Ų6153.6 Ų53.663%0.62932%0.32SS*.G310 helixtrans-56.7-21.3176.100000114.4S171G169-S171 PolarHBondContact O-N 2.94Å
170K87.1Confident88Confident173 Ų17357.2 Ų57.275%0.75233%0.329SS*.G310 helixtrans-78.3-2.9173.2-62.9-172.5178.2-174.10114.3S168 F173 H195S168-K170 PolarHBondContact O-N 3.15Å; K170-F173 VanDerWaalsContact O-CZ 3.22Å; K170-F173 WeakPolarHBondContact O-CZ 3.32Å; K170-H195 PolarHBondContact O-NE2 3.47Å
171S92.1Very high87.8Confident10 Ų1056.4 Ų56.47%0.0732%0.32CS..G310 helixtrans-116.16.6-178.8-48.10000112A136 V137 S168 G169A136-S171 CarbonylContact C-O 3.54Å; A136-S171 WeakPolarHBondContact CA-O 3.35Å; A136-S171 VanDerWaalsContact CB-O 3.31Å; A136-S171 WeakPolarHBondContact CB-O 3.49Å; V137-S171 PolarHBondContact N-O 2.92Å; S168-S171 WeakPolarHBondContact O-CA 3.25Å; S168-S171 WeakPolarHBondContact O-CB 3.4Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 PolarHBondContact OG-OG 3.37Å; G169-S171 PolarHBondContact O-N 2.94Å
172L93.3Very high87.6Confident22 Ų2260.2 Ų60.212%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-109.5128.1170.3-179.165000108.4W105 V137 L139 A158 L161 C162W105-L172 HydrophobicContact CH2-CD2 4.32Å; V137-L172 HydrophobicContact CB-CD1 3.97Å; V137-L172 HydrophobicContact CG1-CD1 3.87Å; V137-L172 CarbonylContact O-C 3.51Å; V137-L172 WeakPolarHBondContact O-CA 3.43Å; L139-L172 HydrophobicContact CD1-CD1 4.18Å; L139-L172 HydrophobicContact CD2-CD1 4.47Å; L139-L172 HydrophobicContact CG-CD1 4Å; A158-L172 HydrophobicContact CB-CD2 3.96Å; L161-L172 HydrophobicContact CD2-CD1 4.05Å; L161-L172 HydrophobicContact CD2-CD2 4.43Å; C162-L172 VanDerWaalsContact SG-CD2 3.54Å
173F93.5Very high87.4Confident38 Ų3861.4 Ų61.417%0.16736%0.357CS..EExtended strand (participates in β ladder)trans-130.9157.4179.9-53.6-80.5000110.8A136 V137 V138 L139 K170 L188 A191 F192 H195A136-F173 HydrophobicContact CB-CD2 4.46Å; A136-F173 HydrophobicContact CB-CE2 4.02Å; V137-F173 PolarHBondContact O-N 3.31Å; V138-F173 CarbonylContact C-O 3.56Å; V138-F173 WeakPolarHBondContact CA-O 3.49Å; V138-F173 HydrophobicContact CG2-CB 4.16Å; V138-F173 HydrophobicContact CG2-CD2 4.31Å; L139-F173 PolarHBondContact N-O 3.4Å; K170-F173 VanDerWaalsContact O-CZ 3.22Å; K170-F173 WeakPolarHBondContact O-CZ 3.32Å; F173-L188 HydrophobicContact CB-CD2 3.42Å; F173-L188 VanDerWaalsContact CB-CD2 3.42Å; F173-L188 HydrophobicContact CD1-CD2 4.08Å; F173-L188 HydrophobicContact CD2-CD2 4.35Å; F173-L188 HydrophobicContact CG-CD2 3.7Å; F173-A191 HydrophobicContact CD1-CB 4.33Å; F173-A191 HydrophobicContact CE1-CB 3.46Å; F173-A191 VanDerWaalsContact CE1-CB 3.46Å; F173-A191 HydrophobicContact CZ-CB 3.62Å; F173-F192 AromaticContact CD2-CE1 3.96Å; F173-F192 HydrophobicContact CD2-CE1 3.96Å; F173-F192 HydrophobicContact CE2-CD1 4.28Å; F173-F192 AromaticContact CE2-CE1 3.95Å; F173-F192 HydrophobicContact CE2-CE1 3.95Å; F173-H195 AromaticContact CZ-NE2 3.98Å
174V90.7Very high87.3Confident40 Ų4059.3 Ų59.324%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-118.4130.9176.9177.60000109W105 Q141 P145W105-V174 HydrophobicContact CZ2-CG2 3.83Å; Q141-V174 HydrophobicContact CB-CG1 4.34Å; Q141-V174 HydrophobicContact CG-CG1 3.97Å; P145-V174 HydrophobicContact CG-CG1 4.14Å
175L92.1Very high87.4Confident1 Ų156.9 Ų56.91%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-119.298.1176.2-178.459.4000109.3I36 F100 V138 L139 I140 Q141 L181 I185 L188I36-L175 HydrophobicContact CD1-CD2 3.86Å; I36-L175 HydrophobicContact CG1-CD2 3.96Å; I36-L175 HydrophobicContact CG2-CD2 3.93Å; F100-L175 HydrophobicContact CD1-CD2 4.47Å; F100-L175 HydrophobicContact CE1-CD2 3.9Å; V138-L175 HydrophobicContact CG1-CB 3.57Å; V138-L175 HydrophobicContact CG1-CD2 4.33Å; L139-L175 PolarHBondContact O-N 2.84Å; I140-L175 WeakPolarHBondContact CA-O 3.42Å; Q141-L175 PolarHBondContact N-O 2.86Å; L175-L181 HydrophobicContact CD1-CD1 3.82Å; L175-L181 HydrophobicContact CD2-CD1 4.39Å; L175-L181 HydrophobicContact CG-CD1 4.21Å; L175-I185 HydrophobicContact CD1-CD1 3.96Å; L175-I185 HydrophobicContact CD2-CD1 3.88Å; L175-L188 HydrophobicContact CB-CD1 4.23Å; L175-L188 HydrophobicContact CD1-CD1 3.96Å; L175-L188 HydrophobicContact CD2-CD1 4.16Å; L175-L188 HydrophobicContact CG-CD1 4.36Å
176P88.4Confident87.3Confident0 Ų060.1 Ų60.10%033%0.334CS..EExtended strand (participates in β ladder)trans-73134.5173.429.9-32.4000110.5Q141 T144 T178 Y184Q141-P176 CarbonylContact O-C 3.58Å; Q141-P176 WeakPolarHBondContact O-CA 3.36Å; T144-P176 HydrophobicContact CG2-CB 4.41Å; P176-T178 HydrophobicContact CB-CG2 4.49Å; P176-T178 PolarHBondContact O-N 3.46Å; P176-Y184 VanDerWaalsContact CD-CD1 3.49Å; P176-Y184 HydrophobicContact CG-CD1 3.67Å; P176-Y184 HydrophobicContact CG-CD2 3.96Å; P176-Y184 HydrophobicContact CG-CE1 3.34Å; P176-Y184 HydrophobicContact CG-CE2 3.68Å; P176-Y184 HydrophobicContact CG-CG 3.97Å
177H82.2Confident87.4Confident78 Ų7861.1 Ų61.136%0.36133%0.329SS..  trans-86.984.2174.4-172.559.7000110.4V32 Q141V32-H177 HydrophobicContact CG1-CB 4.43Å; Q141-H177 PolarHBondContact O-N 2.95Å
178T80.9Confident87.6Confident42 Ų4260.5 Ų60.526%0.25833%0.326SS..SBendtrans-125.8174.5175.360.20000112T144 P176 H180 L181T144-T178 HydrophobicContact CG2-CG2 3.6Å; P176-T178 HydrophobicContact CB-CG2 4.49Å; P176-T178 PolarHBondContact O-N 3.46Å; T178-H180 PolarHBondContact O-N 2.8Å; T178-L181 PolarHBondContact O-N 3Å; T178-L181 VanDerWaalsContact O-N 3.13Å
179D73.6Confident87.8Confident172 Ų17257.3 Ų57.392%0.9230%0.303SS*.THydrogen-bonded Turntrans-56.8-17178.2-60.3-29.5000114
180H80.1Confident88.3Confident150 Ų15058 Ų5869%0.69429%0.292SS*.THydrogen-bonded Turntrans-101.328178.4-64-52.4000114.5T178 V182 G183T178-H180 PolarHBondContact O-N 2.8Å; H180-V182 VanDerWaalsContact C-N 3.28Å; H180-V182 PolarHBondContact O-N 3.45Å; H180-V182 VanDerWaalsContact O-N 3.13Å; H180-G183 PolarHBondContact O-N 3.41Å; H180-G183 VanDerWaalsContact O-N 3.13Å
181L86.1Confident88.6Confident21 Ų2150.7 Ų50.711%0.1126%0.264CS..Hα-helixtrans-46.3-45.4-176.8-176.663.5000114A35 I36 A39 L175 T178 G183 Y184 I185A35-L181 HydrophobicContact CB-CD2 4.39Å; I36-L181 HydrophobicContact CG1-CD1 4.3Å; I36-L181 HydrophobicContact CG1-CD2 4.34Å; A39-L181 HydrophobicContact CB-CD2 4.28Å; A39-L181 HydrophobicContact CB-CG 4.48Å; L175-L181 HydrophobicContact CD1-CD1 3.82Å; L175-L181 HydrophobicContact CD2-CD1 4.39Å; L175-L181 HydrophobicContact CG-CD1 4.21Å; T178-L181 PolarHBondContact O-N 3Å; T178-L181 VanDerWaalsContact O-N 3.13Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 2.88Å; L181-Y184 PolarHBondContact O-N 3.21Å; L181-Y184 VanDerWaalsContact O-N 3.08Å; L181-I185 HydrophobicContact CD1-CD1 4.42Å; L181-I185 HydrophobicContact CD1-CG1 4.32Å; L181-I185 HydrophobicContact CG-CG1 4.17Å; L181-I185 WeakPolarHBondContact O-CG1 3.44Å; L181-I185 PolarHBondContact O-N 3.24Å
182V86.9Confident88.7Confident82 Ų8250.2 Ų50.250%0.49726%0.261SS..Hα-helixtrans-57.5-38.7-175.8179.60000112.5H180 Y184 I185 I186H180-V182 VanDerWaalsContact C-N 3.28Å; H180-V182 PolarHBondContact O-N 3.45Å; H180-V182 VanDerWaalsContact O-N 3.13Å; V182-Y184 VanDerWaalsContact C-N 3.34Å; V182-Y184 PolarHBondContact O-N 2.97Å; V182-I185 PolarHBondContact O-N 3.12Å; V182-I186 HydrophobicContact CG1-CD1 4.08Å; V182-I186 WeakPolarHBondContact O-CG1 3.44Å; V182-I186 PolarHBondContact O-N 3.29Å
183G87.4Confident88.8Confident38 Ų3851.3 Ų51.339%0.39226%0.264SS..Hα-helixtrans-68.4-31.1179.600000113.5H180 L181 R187H180-G183 PolarHBondContact O-N 3.41Å; H180-G183 VanDerWaalsContact O-N 3.13Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 2.88Å; G183-R187 PolarHBondContact O-N 3.02Å; G183-R187 PolarHBondContact O-NE 3.3Å
184Y89.3Confident88.8Confident50 Ų5055.9 Ų55.920%0.19629%0.286CS..Hα-helixtrans-74.4-39.8172.2-71.6-88.7000111.5P176 L181 V182 I186 R187 L188P176-Y184 VanDerWaalsContact CD-CD1 3.49Å; P176-Y184 HydrophobicContact CG-CD1 3.67Å; P176-Y184 HydrophobicContact CG-CD2 3.96Å; P176-Y184 HydrophobicContact CG-CE1 3.34Å; P176-Y184 HydrophobicContact CG-CE2 3.68Å; P176-Y184 HydrophobicContact CG-CG 3.97Å; L181-Y184 PolarHBondContact O-N 3.21Å; L181-Y184 VanDerWaalsContact O-N 3.08Å; V182-Y184 VanDerWaalsContact C-N 3.34Å; V182-Y184 PolarHBondContact O-N 2.97Å; Y184-I186 VanDerWaalsContact C-N 3.34Å; Y184-I186 PolarHBondContact O-N 3.35Å; Y184-R187 WeakPolarHBondContact O-CB 3.42Å; Y184-R187 PolarHBondContact O-N 3.03Å; Y184-R187 VanDerWaalsContact O-N 3.15Å; Y184-L188 PolarHBondContact O-N 3.37Å
185I90.9Very high89Confident0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-59.1-44.4175.1-62.9-63.3000111.1I36 A39 F40 L175 L181 V182 R187 L188 E189I36-I185 HydrophobicContact CG2-CD1 4.18Å; A39-I185 HydrophobicContact CB-CB 4.46Å; A39-I185 HydrophobicContact CB-CG1 3.79Å; A39-I185 HydrophobicContact CB-CG2 4.44Å; F40-I185 HydrophobicContact CD1-CG2 3.57Å; F40-I185 HydrophobicContact CD2-CD1 4.16Å; F40-I185 HydrophobicContact CD2-CG2 4.33Å; F40-I185 HydrophobicContact CE1-CD1 4.46Å; F40-I185 HydrophobicContact CE1-CG2 3.6Å; F40-I185 HydrophobicContact CE2-CD1 3.59Å; F40-I185 HydrophobicContact CE2-CG2 4.35Å; F40-I185 HydrophobicContact CG-CG2 3.95Å; F40-I185 HydrophobicContact CZ-CD1 3.75Å; F40-I185 HydrophobicContact CZ-CG2 3.99Å; L175-I185 HydrophobicContact CD1-CD1 3.96Å; L175-I185 HydrophobicContact CD2-CD1 3.88Å; L181-I185 HydrophobicContact CD1-CD1 4.42Å; L181-I185 HydrophobicContact CD1-CG1 4.32Å; L181-I185 HydrophobicContact CG-CG1 4.17Å; L181-I185 WeakPolarHBondContact O-CG1 3.44Å; L181-I185 PolarHBondContact O-N 3.24Å; V182-I185 PolarHBondContact O-N 3.12Å; I185-R187 VanDerWaalsContact C-N 3.29Å; I185-R187 PolarHBondContact O-N 2.7Å; I185-L188 HydrophobicContact CD1-CD1 4.38Å; I185-L188 WeakPolarHBondContact O-CB 3.43Å; I185-L188 PolarHBondContact O-N 2.84Å; I185-L188 VanDerWaalsContact O-N 3.13Å; I185-E189 HydrophobicContact CG2-CG 4.27Å; I185-E189 WeakPolarHBondContact O-CG 3.27Å; I185-E189 PolarHBondContact O-N 3Å
186I89.6Confident89.1Confident70 Ų7054.9 Ų54.936%0.35928%0.278SS..Hα-helixtrans-60-38.6177-67.5165.7000111.7V182 Y184 E189 N190V182-I186 HydrophobicContact CG1-CD1 4.08Å; V182-I186 WeakPolarHBondContact O-CG1 3.44Å; V182-I186 PolarHBondContact O-N 3.29Å; Y184-I186 VanDerWaalsContact C-N 3.34Å; Y184-I186 PolarHBondContact O-N 3.35Å; I186-E189 PolarHBondContact O-N 3.17Å; I186-N190 PolarHBondContact O-N 2.85Å; I186-N190 VanDerWaalsContact O-N 3.15Å; I186-N190 PolarHBondContact O-ND2 3.13Å
187R90.4Very high89.4Confident146 Ų14656.3 Ų56.355%0.55129%0.285SS*.Hα-helixtrans-65.2-43.4174.8-74.8-178.4-81.4176.7-9.8111.9G183 Y184 I185 N190 A191G183-R187 PolarHBondContact O-N 3.02Å; G183-R187 PolarHBondContact O-NE 3.3Å; Y184-R187 WeakPolarHBondContact O-CB 3.42Å; Y184-R187 PolarHBondContact O-N 3.03Å; Y184-R187 VanDerWaalsContact O-N 3.15Å; I185-R187 VanDerWaalsContact C-N 3.29Å; I185-R187 PolarHBondContact O-N 2.7Å; R187-N190 PolarHBondContact O-N 3.2Å; R187-A191 PolarHBondContact O-N 3.16Å; R187-A191 VanDerWaalsContact O-N 3.1Å
188L93.2Very high89.9Confident8 Ų855.8 Ų55.84%0.04229%0.287CS..Hα-helixtrans-62-43.9174.8-71.1178.2000111.9F40 V138 F173 L175 Y184 I185 N190 A191 F192F40-L188 HydrophobicContact CZ-CB 4.42Å; F40-L188 HydrophobicContact CZ-CD1 4.37Å; V138-L188 HydrophobicContact CG1-CD1 4.06Å; V138-L188 HydrophobicContact CG2-CD1 4.46Å; V138-L188 HydrophobicContact CG2-CD2 4.26Å; F173-L188 HydrophobicContact CB-CD2 3.42Å; F173-L188 VanDerWaalsContact CB-CD2 3.42Å; F173-L188 HydrophobicContact CD1-CD2 4.08Å; F173-L188 HydrophobicContact CD2-CD2 4.35Å; F173-L188 HydrophobicContact CG-CD2 3.7Å; L175-L188 HydrophobicContact CB-CD1 4.23Å; L175-L188 HydrophobicContact CD1-CD1 3.96Å; L175-L188 HydrophobicContact CD2-CD1 4.16Å; L175-L188 HydrophobicContact CG-CD1 4.36Å; Y184-L188 PolarHBondContact O-N 3.37Å; I185-L188 HydrophobicContact CD1-CD1 4.38Å; I185-L188 WeakPolarHBondContact O-CB 3.43Å; I185-L188 PolarHBondContact O-N 2.84Å; I185-L188 VanDerWaalsContact O-N 3.13Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 2.99Å; L188-A191 PolarHBondContact O-N 3.15Å; L188-A191 VanDerWaalsContact O-N 3.15Å; L188-F192 HydrophobicContact CB-CE1 4.39Å; L188-F192 HydrophobicContact CB-CE2 3.95Å; L188-F192 HydrophobicContact CB-CZ 3.83Å; L188-F192 HydrophobicContact CD1-CZ 4.42Å; L188-F192 HydrophobicContact CD2-CE1 4.3Å; L188-F192 HydrophobicContact CD2-CZ 4.14Å; L188-F192 HydrophobicContact CG-CZ 4.36Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD1 3.31Å; L188-F192 WeakPolarHBondContact O-CD2 3.42Å; L188-F192 WeakPolarHBondContact O-CG 3.49Å; L188-F192 PolarHBondContact O-N 3.02Å
189E92.9Very high90.6Very high2 Ų254.2 Ų54.21%0.00928%0.277CS..Hα-helixtrans-56.4-45.7176.8-73.3-179.7142.700111.5F40 R48 V49 I51 F53 I185 I186 F192 Y193F40-E189 HydrophobicContact CD1-CG 3.83Å; F40-E189 HydrophobicContact CE1-CG 3.77Å; R48-E189 IonicContact CZ-OE1 3.65Å; R48-E189 VanDerWaalsContact CZ-OE1 3.3Å; R48-E189 IonicContact CZ-OE2 3.37Å; R48-E189 IonicContact NE-OE1 3.69Å; R48-E189 PolarHBondContact NE-OE1 3.05Å; R48-E189 IonicContact NE-OE2 3.56Å; R48-E189 PolarHBondContact NE-OE2 2.97Å; R48-E189 IonicContact NH1-OE1 3.7Å; R48-E189 IonicContact NH2-OE1 2.84Å; R48-E189 PolarHBondContact NH2-OE1 3.02Å; R48-E189 IonicContact NH2-OE2 2.69Å; R48-E189 PolarHBondContact NH2-OE2 2.8Å; V49-E189 HydrophobicContact CG2-CB 3.69Å; I51-E189 WeakPolarHBondContact CD1-O 3.39Å; F53-E189 HydrophobicContact CE2-CG 4.13Å; F53-E189 HydrophobicContact CZ-CG 3.98Å; I185-E189 HydrophobicContact CG2-CG 4.27Å; I185-E189 WeakPolarHBondContact O-CG 3.27Å; I185-E189 PolarHBondContact O-N 3Å; I186-E189 PolarHBondContact O-N 3.17Å; E189-F192 PolarHBondContact O-N 2.98Å; E189-Y193 WeakPolarHBondContact O-CB 3.31Å; E189-Y193 PolarHBondContact O-N 3.24Å
190N92.9Very high91.6Very high75 Ų7546 Ų4640%0.40123%0.233SC..Hα-helixtrans-62-43.6176.5-75.8-58.1000112V49 I186 R187 L188 Y193 E194V49-N190 VanDerWaalsContact CG1-OD1 3.24Å; V49-N190 WeakPolarHBondContact CG1-OD1 3.29Å; I186-N190 PolarHBondContact O-N 2.85Å; I186-N190 VanDerWaalsContact O-N 3.15Å; I186-N190 PolarHBondContact O-ND2 3.13Å; R187-N190 PolarHBondContact O-N 3.2Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 2.99Å; N190-Y193 WeakPolarHBondContact O-CB 3.25Å; N190-Y193 PolarHBondContact O-N 3.23Å; N190-E194 PolarHBondContact O-N 2.91Å
191A93.9Very high92.3Very high19 Ų1943.9 Ų43.916%0.15722%0.22CC..Hα-helixtrans-65.1-41.9177.200000112.4F173 R187 L188 Y193 E194 H195F173-A191 HydrophobicContact CD1-CB 4.33Å; F173-A191 HydrophobicContact CE1-CB 3.46Å; F173-A191 VanDerWaalsContact CE1-CB 3.46Å; F173-A191 HydrophobicContact CZ-CB 3.62Å; R187-A191 PolarHBondContact O-N 3.16Å; R187-A191 VanDerWaalsContact O-N 3.1Å; L188-A191 PolarHBondContact O-N 3.15Å; L188-A191 VanDerWaalsContact O-N 3.15Å; A191-Y193 VanDerWaalsContact C-N 3.28Å; A191-Y193 PolarHBondContact O-N 2.93Å; A191-E194 PolarHBondContact O-N 2.81Å; A191-H195 PolarHBondContact O-CD2 3.39Å; A191-H195 VanDerWaalsContact O-CD2 3.28Å; A191-H195 PolarHBondContact O-N 3.35Å; A191-H195 VanDerWaalsContact O-N 3.16Å
192F95.3Very high92.7Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-63.7-37.8175.2-60.6-16.3000111.3L22 F40 I51 F53 L96 V98 V138 F173 L188 E189 H195 A196L22-F192 HydrophobicContact CD2-CE2 4.49Å; F40-F192 HydrophobicContact CE1-CD2 4.32Å; F40-F192 AromaticContact CE1-CE2 3.9Å; F40-F192 HydrophobicContact CE1-CE2 3.9Å; F40-F192 AromaticContact CZ-CE2 3.78Å; F40-F192 HydrophobicContact CZ-CE2 3.78Å; I51-F192 HydrophobicContact CD1-CB 4.14Å; F53-F192 AromaticContact CE1-CD2 3.93Å; F53-F192 HydrophobicContact CE1-CD2 3.93Å; F53-F192 HydrophobicContact CZ-CD2 4.29Å; L96-F192 HydrophobicContact CD2-CB 3.77Å; L96-F192 HydrophobicContact CD2-CD1 3.68Å; L96-F192 HydrophobicContact CD2-CG 3.88Å; V98-F192 HydrophobicContact CB-CZ 4.32Å; V98-F192 HydrophobicContact CG1-CE1 3.96Å; V98-F192 HydrophobicContact CG1-CE2 4.33Å; V98-F192 HydrophobicContact CG1-CZ 3.64Å; V98-F192 HydrophobicContact CG2-CD1 3.96Å; V98-F192 HydrophobicContact CG2-CD2 4.27Å; V98-F192 HydrophobicContact CG2-CE1 3.79Å; V98-F192 HydrophobicContact CG2-CE2 4.08Å; V98-F192 HydrophobicContact CG2-CG 4.22Å; V98-F192 HydrophobicContact CG2-CZ 3.87Å; V138-F192 HydrophobicContact CG2-CE1 4.12Å; V138-F192 HydrophobicContact CG2-CZ 3.73Å; F173-F192 AromaticContact CD2-CE1 3.96Å; F173-F192 HydrophobicContact CD2-CE1 3.96Å; F173-F192 HydrophobicContact CE2-CD1 4.28Å; F173-F192 AromaticContact CE2-CE1 3.95Å; F173-F192 HydrophobicContact CE2-CE1 3.95Å; L188-F192 HydrophobicContact CB-CE1 4.39Å; L188-F192 HydrophobicContact CB-CE2 3.95Å; L188-F192 HydrophobicContact CB-CZ 3.83Å; L188-F192 HydrophobicContact CD1-CZ 4.42Å; L188-F192 HydrophobicContact CD2-CE1 4.3Å; L188-F192 HydrophobicContact CD2-CZ 4.14Å; L188-F192 HydrophobicContact CG-CZ 4.36Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD1 3.31Å; L188-F192 WeakPolarHBondContact O-CD2 3.42Å; L188-F192 WeakPolarHBondContact O-CG 3.49Å; L188-F192 PolarHBondContact O-N 3.02Å; E189-F192 PolarHBondContact O-N 2.98Å; F192-H195 PolarHBondContact O-N 2.8Å; F192-A196 WeakPolarHBondContact O-CB 3.5Å; F192-A196 PolarHBondContact O-N 3.36Å
193Y94.6Very high93Very high45 Ų4543.1 Ų43.118%0.17621%0.214CC..Hα-helixtrans-60.2-49.5175.1-171.1-117.5000111V49 P50 I51 E189 N190 A191 H195 A196 Q197 Q238V49-Y193 HydrophobicContact CB-CD1 4.34Å; V49-Y193 HydrophobicContact CB-CD2 4.07Å; V49-Y193 HydrophobicContact CB-CG 3.91Å; V49-Y193 HydrophobicContact CG1-CD1 3.95Å; V49-Y193 HydrophobicContact CG1-CG 3.99Å; V49-Y193 HydrophobicContact CG2-CG 4.45Å; P50-Y193 HydrophobicContact CG-CE2 4.01Å; I51-Y193 HydrophobicContact CD1-CD2 4.34Å; I51-Y193 HydrophobicContact CG1-CD2 3.93Å; E189-Y193 WeakPolarHBondContact O-CB 3.31Å; E189-Y193 PolarHBondContact O-N 3.24Å; N190-Y193 WeakPolarHBondContact O-CB 3.25Å; N190-Y193 PolarHBondContact O-N 3.23Å; A191-Y193 VanDerWaalsContact C-N 3.28Å; A191-Y193 PolarHBondContact O-N 2.93Å; Y193-H195 VanDerWaalsContact C-N 3.3Å; Y193-H195 PolarHBondContact O-N 2.94Å; Y193-A196 CarbonylContact O-C 3.56Å; Y193-A196 WeakPolarHBondContact O-CB 3.49Å; Y193-A196 PolarHBondContact O-N 3.37Å; Y193-A196 VanDerWaalsContact O-N 3.09Å; Y193-Q197 HydrophobicContact CD1-CG 4.02Å; Y193-Q197 HydrophobicContact CD2-CG 4.5Å; Y193-Q197 HydrophobicContact CE1-CG 3.83Å; Y193-Q197 HydrophobicContact CE2-CG 4.33Å; Y193-Q197 VanDerWaalsContact CE2-NE2 3.26Å; Y193-Q197 HydrophobicContact CG-CG 4.35Å; Y193-Q197 WeakPolarHBondContact O-CB 3.31Å; Y193-Q197 WeakPolarHBondContact O-CG 3.34Å; Y193-Q197 PolarHBondContact O-N 3.26Å; Y193-Q197 PolarHBondContact OH-NE2 3.4Å; Y193-Q238 HydrophobicContact CE2-CG 4.26Å; Y193-Q238 WeakPolarHBondContact OH-CB 3.4Å; Y193-Q238 WeakPolarHBondContact OH-CG 3.08Å
194E94.1Very high93.4Very high135 Ų13542 Ų4263%0.63120%0.199SC*.Hα-helixtrans-57.8-40.9177.6-71.5-175176.100113N190 A191 Q197 T198N190-E194 PolarHBondContact O-N 2.91Å; A191-E194 PolarHBondContact O-N 2.81Å; E194-Q197 WeakPolarHBondContact O-CB 3.42Å; E194-Q197 PolarHBondContact O-N 3.28Å; E194-T198 PolarHBondContact O-N 2.77Å; E194-T198 PolarHBondContact O-OG1 2.81Å
195H94Very high93.6Very high20 Ų2046.9 Ų46.99%0.09322%0.217CC..Hα-helixtrans-63.3-44.3174.6-81.9-62.6000111.9L96 K134 K170 F173 A191 F192 Y193 T198 Y199L96-H195 HydrophobicContact CD1-CB 4.19Å; L96-H195 HydrophobicContact CD2-CB 4.03Å; K134-H195 HydrophobicContact CD-CB 4.21Å; K134-H195 PolarHBondContact NZ-ND1 2.68Å; K170-H195 PolarHBondContact O-NE2 3.47Å; F173-H195 AromaticContact CZ-NE2 3.98Å; A191-H195 PolarHBondContact O-CD2 3.39Å; A191-H195 VanDerWaalsContact O-CD2 3.28Å; A191-H195 PolarHBondContact O-N 3.35Å; A191-H195 VanDerWaalsContact O-N 3.16Å; F192-H195 PolarHBondContact O-N 2.8Å; Y193-H195 VanDerWaalsContact C-N 3.3Å; Y193-H195 PolarHBondContact O-N 2.94Å; H195-T198 PolarHBondContact O-N 2.62Å; H195-Y199 PolarHBondContact O-N 3.28Å
196A94.8Very high93.5Very high0 Ų049.8 Ų49.80%023%0.228CC..Hα-helixtrans-65.1-40176.700000112.4A18 A95 F192 Y193 T198 Y199 Y200A18-A196 HydrophobicContact CB-CB 3.81Å; A95-A196 HydrophobicContact CB-CB 3.8Å; F192-A196 WeakPolarHBondContact O-CB 3.5Å; F192-A196 PolarHBondContact O-N 3.36Å; Y193-A196 CarbonylContact O-C 3.56Å; Y193-A196 WeakPolarHBondContact O-CB 3.49Å; Y193-A196 PolarHBondContact O-N 3.37Å; Y193-A196 VanDerWaalsContact O-N 3.09Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.75Å; A196-Y199 WeakPolarHBondContact O-CB 3.22Å; A196-Y199 PolarHBondContact O-N 3.16Å; A196-Y200 HydrophobicContact CB-CE2 4.33Å; A196-Y200 WeakPolarHBondContact O-CD2 3.17Å; A196-Y200 PolarHBondContact O-N 2.96Å
197Q94.3Very high93.7Very high30 Ų3047.3 Ų47.314%0.1422%0.216CC..Hα-helixtrans-57-45.9174.1-72.4-64.2-49.500111.5Y193 E194 Y199 Y200 Y201 K237Y193-Q197 HydrophobicContact CD1-CG 4.02Å; Y193-Q197 HydrophobicContact CD2-CG 4.5Å; Y193-Q197 HydrophobicContact CE1-CG 3.83Å; Y193-Q197 HydrophobicContact CE2-CG 4.33Å; Y193-Q197 VanDerWaalsContact CE2-NE2 3.26Å; Y193-Q197 HydrophobicContact CG-CG 4.35Å; Y193-Q197 WeakPolarHBondContact O-CB 3.31Å; Y193-Q197 WeakPolarHBondContact O-CG 3.34Å; Y193-Q197 PolarHBondContact O-N 3.26Å; Y193-Q197 PolarHBondContact OH-NE2 3.4Å; E194-Q197 WeakPolarHBondContact O-CB 3.42Å; E194-Q197 PolarHBondContact O-N 3.28Å; Q197-Y199 VanDerWaalsContact C-N 3.34Å; Q197-Y199 PolarHBondContact O-N 3.48Å; Q197-Y200 PolarHBondContact O-N 3.02Å; Q197-Y201 WeakPolarHBondContact O-CB 3.48Å; Q197-Y201 PolarHBondContact O-N 3.09Å; Q197-K237 VanDerWaalsContact CD-O 3.26Å; Q197-K237 PolarHBondContact NE2-O 2.94Å; Q197-K237 PolarHBondContact OE1-O 2.72Å
198T93.8Very high93.8Very high66 Ų6645.3 Ų45.341%0.40521%0.212SC..Hα-helixtrans-64.2-40177.4-540000111.8E194 H195 A196 Y201 T202E194-T198 PolarHBondContact O-N 2.77Å; E194-T198 PolarHBondContact O-OG1 2.81Å; H195-T198 PolarHBondContact O-N 2.62Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.75Å; T198-Y201 PolarHBondContact O-N 3.4Å; T198-T202 PolarHBondContact O-N 2.62Å; T198-T202 VanDerWaalsContact O-N 3.11Å; T198-T202 PolarHBondContact O-OG1 2.91Å; T198-T202 VanDerWaalsContact O-OG1 3.11Å
199Y94.7Very high93.6Very high9 Ų947.2 Ų47.24%0.03523%0.226CC..Hα-helixtrans-60.1-52.4176169.1-96.1000111.5A95 N132 H195 A196 Q197 Y201 T202 E203A95-Y199 HydrophobicContact CB-CD1 3.37Å; A95-Y199 HydrophobicContact CB-CE1 3.95Å; A95-Y199 HydrophobicContact CB-CG 3.84Å; N132-Y199 HydrophobicContact CB-CD2 4.43Å; N132-Y199 HydrophobicContact CB-CE2 4.1Å; N132-Y199 VanDerWaalsContact O-CD2 3.3Å; N132-Y199 WeakPolarHBondContact O-CD2 3.38Å; H195-Y199 PolarHBondContact O-N 3.28Å; A196-Y199 WeakPolarHBondContact O-CB 3.22Å; A196-Y199 PolarHBondContact O-N 3.16Å; Q197-Y199 VanDerWaalsContact C-N 3.34Å; Q197-Y199 PolarHBondContact O-N 3.48Å; Y199-Y201 VanDerWaalsContact C-N 3.3Å; Y199-Y201 PolarHBondContact O-N 3.05Å; Y199-T202 PolarHBondContact O-N 3.36Å; Y199-E203 HydrophobicContact CE1-CG 4.18Å; Y199-E203 HydrophobicContact CE2-CG 4.11Å; Y199-E203 PolarHBondContact O-N 3Å
200Y95.4Very high93.3Very high1 Ų149.6 Ų49.60%0.00424%0.237CC..Hα-helixtrans-65.4-34.8-179.4-67.2-59.4000112.1A18 F19 A95 A196 Q197 T202 E203 I204 L233 L236A18-Y200 HydrophobicContact CB-CE2 3.76Å; F19-Y200 PolarHBondContact N-OH 3.29Å; F19-Y200 VanDerWaalsContact N-OH 3.17Å; A95-Y200 HydrophobicContact CB-CE2 3.89Å; A196-Y200 HydrophobicContact CB-CE2 4.33Å; A196-Y200 WeakPolarHBondContact O-CD2 3.17Å; A196-Y200 PolarHBondContact O-N 2.96Å; Q197-Y200 PolarHBondContact O-N 3.02Å; Y200-T202 PolarHBondContact O-N 3.36Å; Y200-E203 PolarHBondContact O-N 3.28Å; Y200-I204 WeakPolarHBondContact O-CD1 3.29Å; Y200-I204 WeakPolarHBondContact O-CG1 3.4Å; Y200-I204 PolarHBondContact O-N 3.47Å; Y200-L233 HydrophobicContact CD1-CD2 3.91Å; Y200-L233 HydrophobicContact CE1-CD2 4.37Å; Y200-L236 HydrophobicContact CD1-CB 4Å; Y200-L236 HydrophobicContact CD1-CD1 4.29Å; Y200-L236 HydrophobicContact CD2-CB 4.17Å; Y200-L236 HydrophobicContact CE1-CB 3.83Å; Y200-L236 HydrophobicContact CE1-CD1 3.7Å; Y200-L236 HydrophobicContact CE1-CG 4.28Å; Y200-L236 HydrophobicContact CE2-CB 4.01Å; Y200-L236 HydrophobicContact CG-CB 4.17Å
201Y94.9Very high93.2Very high105 Ų10548.4 Ų48.441%0.41223%0.228SC..Hα-helixtrans-58.6-46173-176.5-106.6000112.8Q197 T198 Y199 I204 R205Q197-Y201 WeakPolarHBondContact O-CB 3.48Å; Q197-Y201 PolarHBondContact O-N 3.09Å; T198-Y201 PolarHBondContact O-N 3.4Å; Y199-Y201 VanDerWaalsContact C-N 3.3Å; Y199-Y201 PolarHBondContact O-N 3.05Å; Y201-I204 PolarHBondContact O-N 3.43Å; Y201-R205 HydrophobicContact CE1-CG 4.38Å; Y201-R205 VanDerWaalsContact CE1-CZ 3.4Å; Y201-R205 PolarHBondContact O-N 2.91Å; Y201-R205 VanDerWaalsContact OH-CZ 3.24Å; Y201-R205 PolarHBondContact OH-NE 3.04Å; Y201-R205 PolarHBondContact OH-NH2 3.5Å
202T93.8Very high92.9Very high65 Ų6553.9 Ų53.940%0.39925%0.25SS..Hα-helixtrans-65-42177.3-60.10000111.7T198 Y199 Y200 R205 R206T198-T202 PolarHBondContact O-N 2.62Å; T198-T202 VanDerWaalsContact O-N 3.11Å; T198-T202 PolarHBondContact O-OG1 2.91Å; T198-T202 VanDerWaalsContact O-OG1 3.11Å; Y199-T202 PolarHBondContact O-N 3.36Å; Y200-T202 PolarHBondContact O-N 3.36Å; T202-R205 PolarHBondContact O-N 2.89Å; T202-R206 WeakPolarHBondContact O-CB 3.28Å; T202-R206 PolarHBondContact O-N 2.99Å
203E92.7Very high92.4Very high21 Ų2161 Ų6110%0.09828%0.281CS..Hα-helixtrans-65.8-38176.5-72.7-61.7117.700112.3N132 Y199 Y200 R206 V207 L233N132-E203 PolarHBondContact ND2-OE1 3.49Å; Y199-E203 HydrophobicContact CE1-CG 4.18Å; Y199-E203 HydrophobicContact CE2-CG 4.11Å; Y199-E203 PolarHBondContact O-N 3Å; Y200-E203 PolarHBondContact O-N 3.28Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 IonicContact OE1-NH1 3.56Å; E203-R206 IonicContact OE2-NH1 3.92Å; E203-V207 WeakPolarHBondContact O-CG2 3.41Å; E203-V207 PolarHBondContact O-N 3.24Å; E203-L233 HydrophobicContact CB-CD1 4.22Å
204I95.1Very high92.1Very high15 Ų1559.6 Ų59.68%0.07728%0.277CS..Hα-helixtrans-61.2-49.2173.4-68.9160.6000110.6Y200 Y201 R206 V207 K208 M230 L233 K237Y200-I204 WeakPolarHBondContact O-CD1 3.29Å; Y200-I204 WeakPolarHBondContact O-CG1 3.4Å; Y200-I204 PolarHBondContact O-N 3.47Å; Y201-I204 PolarHBondContact O-N 3.43Å; I204-R206 PolarHBondContact O-N 3.03Å; I204-V207 PolarHBondContact O-N 3.41Å; I204-K208 WeakPolarHBondContact O-CB 3.24Å; I204-K208 PolarHBondContact O-N 2.78Å; I204-M230 HydrophobicContact CG2-CG 4.4Å; I204-L233 HydrophobicContact CD1-CB 4.13Å; I204-L233 HydrophobicContact CG1-CB 3.55Å; I204-L233 HydrophobicContact CG1-CD1 4.31Å; I204-K237 HydrophobicContact CD1-CD 4.16Å
205R94.1Very high91.8Very high152 Ų15257.1 Ų57.157%0.57427%0.268SS*.Hα-helixtrans-57.4-39.7177-78.9-175.3169.1-161.41.3111.8Y201 T202 K208 S209Y201-R205 HydrophobicContact CE1-CG 4.38Å; Y201-R205 VanDerWaalsContact CE1-CZ 3.4Å; Y201-R205 PolarHBondContact O-N 2.91Å; Y201-R205 VanDerWaalsContact OH-CZ 3.24Å; Y201-R205 PolarHBondContact OH-NE 3.04Å; Y201-R205 PolarHBondContact OH-NH2 3.5Å; T202-R205 PolarHBondContact O-N 2.89Å; R205-K208 WeakPolarHBondContact O-CB 3.05Å; R205-K208 PolarHBondContact O-N 2.96Å; R205-S209 PolarHBondContact O-N 3.36Å
206R89.6Confident91.3Very high62 Ų6264 Ų6423%0.23430%0.298CS..Hα-helixtrans-66.4-45.7178-176.5176.8172.9-157.9-13.2112.7T202 E203 I204 K208 S209 H210T202-R206 WeakPolarHBondContact O-CB 3.28Å; T202-R206 PolarHBondContact O-N 2.99Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 IonicContact OE1-NH1 3.56Å; E203-R206 IonicContact OE2-NH1 3.92Å; I204-R206 PolarHBondContact O-N 3.03Å; R206-K208 PolarHBondContact O-N 3.18Å; R206-S209 PolarHBondContact O-N 3.46Å; R206-H210 PolarHBondContact O-N 2.98Å
207V92.4Very high90.8Very high17 Ų1769.5 Ų69.510%0.10333%0.331CS..Hα-helixtrans-61.6-38174.8175.90000110.5E203 I204 H210 K211 H226 K229 M230 L233E203-V207 WeakPolarHBondContact O-CG2 3.41Å; E203-V207 PolarHBondContact O-N 3.24Å; I204-V207 PolarHBondContact O-N 3.41Å; V207-H210 PolarHBondContact O-N 2.79Å; V207-K211 PolarHBondContact O-N 3.02Å; V207-K211 VanDerWaalsContact O-N 3.13Å; V207-H226 HydrophobicContact CG1-CB 3.98Å; V207-K229 HydrophobicContact CG1-CB 4.12Å; V207-M230 HydrophobicContact CB-CG 4Å; V207-M230 HydrophobicContact CG1-CG 3.61Å; V207-M230 HydrophobicContact CG1-SD 4.43Å; V207-L233 HydrophobicContact CG2-CD1 4.07Å
208K92.8Very high90.2Very high104 Ų10471.8 Ų71.845%0.45235%0.348SS..Hα-helixtrans-63.3-48.5175.3-171.2-177.1175.3-170.90112.1I204 R205 R206 H210 K211 E212 M230I204-K208 WeakPolarHBondContact O-CB 3.24Å; I204-K208 PolarHBondContact O-N 2.78Å; R205-K208 WeakPolarHBondContact O-CB 3.05Å; R205-K208 PolarHBondContact O-N 2.96Å; R206-K208 PolarHBondContact O-N 3.18Å; K208-H210 PolarHBondContact O-N 2.92Å; K208-K211 WeakPolarHBondContact O-CB 3.22Å; K208-K211 PolarHBondContact O-N 2.58Å; K208-K211 VanDerWaalsContact O-N 3.1Å; K208-E212 PolarHBondContact O-N 2.99Å; K208-M230 HydrophobicContact CB-SD 3.81Å; K208-M230 HydrophobicContact CG-SD 4.29Å
209S89.8Confident90Very high48 Ų4869 Ų6934%0.33633%0.33SS..Hα-helixtrans-58.6-45.3176.2172.50000111.7R205 R206 K211 E212 F213R205-S209 PolarHBondContact O-N 3.36Å; R206-S209 PolarHBondContact O-N 3.46Å; S209-K211 PolarHBondContact O-N 3.29Å; S209-E212 WeakPolarHBondContact O-CB 3.37Å; S209-E212 PolarHBondContact O-N 3.42Å; S209-E212 VanDerWaalsContact O-N 3.11Å; S209-F213 WeakPolarHBondContact O-CD2 3.38Å; S209-F213 WeakPolarHBondContact O-CE2 3.35Å
210H87.4Confident89.8Confident53 Ų5372.5 Ų72.525%0.24535%0.346CS..Hα-helixtrans-59.9-34.4175.9-71.7-176.3000113.3R206 V207 K208 E212 F213R206-H210 PolarHBondContact O-N 2.98Å; V207-H210 PolarHBondContact O-N 2.79Å; K208-H210 PolarHBondContact O-N 2.92Å; H210-E212 VanDerWaalsContact C-N 3.3Å; H210-E212 PolarHBondContact O-N 3.18Å; H210-F213 PolarHBondContact O-N 2.75Å
211K89.1Confident89.6Confident49 Ų4973.7 Ų73.721%0.21335%0.353CS..Hα-helixtrans-66.9-31.6178.5-176.5-167166.9-158.70112V207 K208 S209 F213 L214 F223 H226 M230V207-K211 PolarHBondContact O-N 3.02Å; V207-K211 VanDerWaalsContact O-N 3.13Å; K208-K211 WeakPolarHBondContact O-CB 3.22Å; K208-K211 PolarHBondContact O-N 2.58Å; K208-K211 VanDerWaalsContact O-N 3.1Å; S209-K211 PolarHBondContact O-N 3.29Å; K211-F213 PolarHBondContact O-N 3.22Å; K211-L214 HydrophobicContact CG-CD1 4.39Å; K211-L214 WeakPolarHBondContact O-CB 3.37Å; K211-L214 PolarHBondContact O-N 3.24Å; K211-F223 HydrophobicContact CD-CD1 4.39Å; K211-F223 HydrophobicContact CG-CD1 4Å; K211-F223 HydrophobicContact CG-CE1 3.91Å; K211-H226 HydrophobicContact CB-CB 4.16Å; K211-H226 HydrophobicContact CD-CB 4.5Å; K211-H226 HydrophobicContact CG-CB 4.29Å; K211-M230 HydrophobicContact CD-CE 4.03Å
212E87.4Confident89.4Confident134 Ų13468.7 Ų68.763%0.62633%0.333SS*.Hα-helixtrans-66.6-26.5-179.8-69.7168.6-177.600112.4K208 S209 H210 L214K208-E212 PolarHBondContact O-N 2.99Å; S209-E212 WeakPolarHBondContact O-CB 3.37Å; S209-E212 PolarHBondContact O-N 3.42Å; S209-E212 VanDerWaalsContact O-N 3.11Å; H210-E212 VanDerWaalsContact C-N 3.3Å; H210-E212 PolarHBondContact O-N 3.18Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.97Å
213F86.3Confident89.4Confident150 Ų15066.9 Ų66.966%0.65832%0.32SS*.THydrogen-bonded Turntrans-85.37176.1-59.3-73.7000114.4S209 H210 K211S209-F213 WeakPolarHBondContact O-CD2 3.38Å; S209-F213 WeakPolarHBondContact O-CE2 3.35Å; H210-F213 PolarHBondContact O-N 2.75Å; K211-F213 PolarHBondContact O-N 3.22Å
214L88.5Confident89.5Confident15 Ų1565.9 Ų65.98%0.07932%0.315CS..  trans-93132.9-177.5-60.9178.5000112.6Y72 K211 E212 H219 L222 F223Y72-L214 HydrophobicContact CD1-CD2 4.02Å; Y72-L214 HydrophobicContact CD2-CD2 4.08Å; Y72-L214 HydrophobicContact CE1-CD2 4.48Å; Y72-L214 HydrophobicContact CG-CD2 3.81Å; K211-L214 HydrophobicContact CG-CD1 4.39Å; K211-L214 WeakPolarHBondContact O-CB 3.37Å; K211-L214 PolarHBondContact O-N 3.24Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.97Å; L214-H219 HydrophobicContact CB-CB 4.2Å; L214-H219 HydrophobicContact CD2-CB 4.24Å; L214-L222 HydrophobicContact CD1-CB 3.69Å; L214-L222 HydrophobicContact CD2-CB 4.35Å; L214-L222 HydrophobicContact CD2-CD1 3.77Å; L214-F223 HydrophobicContact CB-CD2 4.41Å; L214-F223 HydrophobicContact CB-CE1 4.46Å; L214-F223 HydrophobicContact CB-CE2 3.63Å; L214-F223 HydrophobicContact CB-CZ 3.67Å; L214-F223 HydrophobicContact CD1-CE2 4.47Å; L214-F223 WeakPolarHBondContact O-CZ 3.46Å
215N86.8Confident89.5Confident83 Ų8366.2 Ų66.244%0.44432%0.316SS..  trans-72.4128.1167.3-174.9-49.8000112.2T217 T218 H219N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 PolarHBondContact O-N 3.43Å; N215-T217 WeakPolarHBondContact OD1-CB 3.39Å; N215-T217 PolarHBondContact OD1-N 3.48Å; N215-T218 WeakPolarHBondContact CB-OG1 3.47Å; N215-T218 PolarHBondContact OD1-N 2.99Å; N215-H219 PolarHBondContact N-ND1 3.38Å; N215-H219 VanDerWaalsContact O-CB 3.29Å; N215-H219 WeakPolarHBondContact O-CB 3.48Å; N215-H219 PolarHBondContact O-N 3.44Å
216K84.3Confident89.6Confident166 Ų16659.4 Ų59.472%0.72229%0.29SS*.THydrogen-bonded Turntrans-65.3-24.9-177.4-70.5-176.5-179.2177.50114.5Q220 F223K216-Q220 WeakPolarHBondContact O-CG 3.43Å; K216-F223 HydrophobicContact CB-CE2 4.44Å; K216-F223 HydrophobicContact CG-CE2 4.09Å; K216-F223 HydrophobicContact CG-CZ 3.96Å
217T83Confident89.9Confident114 Ų11457.2 Ų57.270%0.69928%0.283SS*.THydrogen-bonded Turntrans-87.5-46.1-177.1-49.50000111.3N215N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 PolarHBondContact O-N 3.43Å; N215-T217 WeakPolarHBondContact OD1-CB 3.39Å; N215-T217 PolarHBondContact OD1-N 3.48Å
218T83.2Confident90.1Very high79 Ų7956.4 Ų56.449%0.48528%0.278SS..THydrogen-bonded Turntrans-90.1-23.9-174.558.30000113.8N215N215-T218 WeakPolarHBondContact CB-OG1 3.47Å; N215-T218 PolarHBondContact OD1-N 2.99Å
219H89Confident90.3Very high6 Ų653.5 Ų53.53%0.02827%0.265CS..  trans-113.328.2-171.9-55.2142.9000114.2Y72 Y75 L214 N215 L221 L222 F223Y72-H219 PolarHBondContact O-CE1 2.96Å; Y72-H219 PolarHBondContact O-NE2 3.01Å; Y72-H219 VanDerWaalsContact O-NE2 3.13Å; Y75-H219 PolarHBondContact O-CD2 3.04Å; Y75-H219 VanDerWaalsContact O-CD2 3.27Å; Y75-H219 PolarHBondContact O-NE2 2.76Å; Y75-H219 VanDerWaalsContact O-NE2 3.09Å; L214-H219 HydrophobicContact CB-CB 4.2Å; L214-H219 HydrophobicContact CD2-CB 4.24Å; N215-H219 PolarHBondContact N-ND1 3.38Å; N215-H219 VanDerWaalsContact O-CB 3.29Å; N215-H219 WeakPolarHBondContact O-CB 3.48Å; N215-H219 PolarHBondContact O-N 3.44Å; H219-L221 VanDerWaalsContact C-N 3.31Å; H219-L221 PolarHBondContact O-N 3.03Å; H219-L222 HydrophobicContact CB-CB 4.19Å; H219-L222 HydrophobicContact CB-CD1 4.08Å; H219-L222 HydrophobicContact CB-CG 4.36Å; H219-L222 WeakPolarHBondContact O-CA 3.46Å; H219-L222 WeakPolarHBondContact O-CB 3.26Å; H219-L222 PolarHBondContact O-N 3.07Å; H219-F223 WeakPolarHBondContact O-CD2 3.41Å; H219-F223 PolarHBondContact O-N 3.27Å; H219-F223 VanDerWaalsContact O-N 3.14Å
220Q89.8Confident90.7Very high83 Ų8351.3 Ų51.339%0.38825%0.25SC..Hα-helixtrans-52.4-43.7-178.4-64.7-178.6-16.300113.4K216 L222 F223 V224 L257K216-Q220 WeakPolarHBondContact O-CG 3.43Å; Q220-L222 PolarHBondContact O-N 3.07Å; Q220-F223 WeakPolarHBondContact O-CB 3.42Å; Q220-F223 PolarHBondContact O-N 3.4Å; Q220-F223 VanDerWaalsContact O-N 3.08Å; Q220-V224 PolarHBondContact O-N 2.71Å; Q220-L257 HydrophobicContact CB-CD2 3.58Å
221L90.9Very high91.1Very high27 Ų2748.8 Ų48.814%0.14124%0.238CC..Hα-helixtrans-60.9-32.8176.5-55.4-177.9000112.5P77 I80 H219 R225 L257P77-L221 HydrophobicContact CB-CB 4.08Å; P77-L221 HydrophobicContact CB-CD1 4.26Å; P77-L221 HydrophobicContact CG-CB 3.93Å; P77-L221 HydrophobicContact CG-CD1 4.12Å; P77-L221 HydrophobicContact CG-CG 4.28Å; I80-L221 HydrophobicContact CD1-CD2 4.38Å; I80-L221 HydrophobicContact CG1-CB 4.49Å; I80-L221 HydrophobicContact CG1-CD2 3.83Å; H219-L221 VanDerWaalsContact C-N 3.31Å; H219-L221 PolarHBondContact O-N 3.03Å; L221-R225 WeakPolarHBondContact O-CB 3.48Å; L221-R225 PolarHBondContact O-N 3.37Å; L221-R225 VanDerWaalsContact O-N 3.08Å; L221-L257 HydrophobicContact CD2-CD1 3.74Å; L221-L257 HydrophobicContact CD2-CD2 3.95Å; L221-L257 HydrophobicContact CD2-CG 4.46Å
222L91.3Very high91.5Very high0 Ų046.5 Ų46.50%023%0.228CC..Hα-helixtrans-73.3-33.6176.3-62.9-177000111.8Y72 Y75 P77 L214 H219 Q220 V224 R225 H226Y72-L222 HydrophobicContact CD1-CD1 3.9Å; Y72-L222 HydrophobicContact CE1-CD1 4.05Å; Y75-L222 HydrophobicContact CD1-CD1 3.95Å; Y75-L222 HydrophobicContact CE1-CD1 3.95Å; Y75-L222 HydrophobicContact CE1-CD2 4.26Å; P77-L222 HydrophobicContact CB-CD2 3.95Å; P77-L222 HydrophobicContact CB-CG 3.93Å; P77-L222 HydrophobicContact CG-CG 4.16Å; L214-L222 HydrophobicContact CD1-CB 3.69Å; L214-L222 HydrophobicContact CD2-CB 4.35Å; L214-L222 HydrophobicContact CD2-CD1 3.77Å; H219-L222 HydrophobicContact CB-CB 4.19Å; H219-L222 HydrophobicContact CB-CD1 4.08Å; H219-L222 HydrophobicContact CB-CG 4.36Å; H219-L222 WeakPolarHBondContact O-CA 3.46Å; H219-L222 WeakPolarHBondContact O-CB 3.26Å; H219-L222 PolarHBondContact O-N 3.07Å; Q220-L222 PolarHBondContact O-N 3.07Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 2.86Å; L222-R225 VanDerWaalsContact CD2-CZ 3.4Å; L222-R225 WeakPolarHBondContact O-CB 3.35Å; L222-R225 PolarHBondContact O-N 3.34Å; L222-H226 WeakPolarHBondContact O-CB 3.29Å; L222-H226 PolarHBondContact O-N 2.87Å; L222-H226 PolarHBondContact O-ND1 3.13Å
223F93.9Very high91.9Very high26 Ų2640.2 Ų40.211%0.11420%0.198CC..Hα-helixtrans-60-46.5175.2-85.4-79.1000111.6K211 L214 K216 H219 Q220 Q227 L253K211-F223 HydrophobicContact CD-CD1 4.39Å; K211-F223 HydrophobicContact CG-CD1 4Å; K211-F223 HydrophobicContact CG-CE1 3.91Å; L214-F223 HydrophobicContact CB-CD2 4.41Å; L214-F223 HydrophobicContact CB-CE1 4.46Å; L214-F223 HydrophobicContact CB-CE2 3.63Å; L214-F223 HydrophobicContact CB-CZ 3.67Å; L214-F223 HydrophobicContact CD1-CE2 4.47Å; L214-F223 WeakPolarHBondContact O-CZ 3.46Å; K216-F223 HydrophobicContact CB-CE2 4.44Å; K216-F223 HydrophobicContact CG-CE2 4.09Å; K216-F223 HydrophobicContact CG-CZ 3.96Å; H219-F223 WeakPolarHBondContact O-CD2 3.41Å; H219-F223 PolarHBondContact O-N 3.27Å; H219-F223 VanDerWaalsContact O-N 3.14Å; Q220-F223 WeakPolarHBondContact O-CB 3.42Å; Q220-F223 PolarHBondContact O-N 3.4Å; Q220-F223 VanDerWaalsContact O-N 3.08Å; F223-Q227 WeakPolarHBondContact O-CB 3.5Å; F223-Q227 VanDerWaalsContact O-CG 3.24Å; F223-Q227 WeakPolarHBondContact O-CG 3.21Å; F223-Q227 PolarHBondContact O-N 3.45Å; F223-Q227 VanDerWaalsContact O-N 3.11Å; F223-L253 HydrophobicContact CB-CD1 4.2Å
224V95.7Very high92.4Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-57.4-52.4172172.70000110.6I80 Q220 L222 H226 Q227 F228 L253 V254 L257 I274I80-V224 HydrophobicContact CG2-CB 4.11Å; I80-V224 HydrophobicContact CG2-CG1 3.46Å; I80-V224 VanDerWaalsContact CG2-CG1 3.46Å; Q220-V224 PolarHBondContact O-N 2.71Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 2.86Å; V224-H226 PolarHBondContact O-N 2.97Å; V224-Q227 PolarHBondContact O-N 3.29Å; V224-F228 WeakPolarHBondContact O-CB 3.41Å; V224-F228 PolarHBondContact O-N 3.3Å; V224-L253 HydrophobicContact CG2-CB 3.76Å; V224-V254 HydrophobicContact CB-CG2 4.09Å; V224-V254 HydrophobicContact CG1-CG2 3.24Å; V224-V254 HydrophobicContact CG2-CB 4.43Å; V224-V254 HydrophobicContact CG2-CG2 3.66Å; V224-L257 HydrophobicContact CG2-CD1 4.18Å; V224-L257 HydrophobicContact CG2-CD2 4.46Å; V224-L257 HydrophobicContact CG2-CG 4.4Å; V224-I274 HydrophobicContact CG1-CD1 4.48Å
225R95Very high92.7Very high23 Ų2333 Ų339%0.08717%0.167CC..Hα-helixtrans-55.1-49-178.7-175.3-170-65.1-179.7-4.5112.2G79 I80 V81 L221 L222 F228 K229G79-R225 PolarHBondContact O-NH2 2.76Å; I80-R225 VanDerWaalsContact O-CB 3.29Å; I80-R225 WeakPolarHBondContact O-CB 3.32Å; I80-R225 VanDerWaalsContact O-CG 3.26Å; I80-R225 WeakPolarHBondContact O-CG 3.27Å; I80-R225 PolarHBondContact O-NE 2.84Å; I80-R225 PolarHBondContact O-NH2 2.81Å; V81-R225 HydrophobicContact CG2-CG 4.24Å; L221-R225 WeakPolarHBondContact O-CB 3.48Å; L221-R225 PolarHBondContact O-N 3.37Å; L221-R225 VanDerWaalsContact O-N 3.08Å; L222-R225 VanDerWaalsContact CD2-CZ 3.4Å; L222-R225 WeakPolarHBondContact O-CB 3.35Å; L222-R225 PolarHBondContact O-N 3.34Å; R225-F228 PolarHBondContact O-N 3.1Å; R225-K229 HydrophobicContact CG-CD 4.29Å; R225-K229 WeakPolarHBondContact O-CB 3.36Å; R225-K229 VanDerWaalsContact O-CG 3.23Å; R225-K229 WeakPolarHBondContact O-CG 3.45Å; R225-K229 PolarHBondContact O-N 2.85Å
226H95.3Very high93.1Very high9 Ų929 Ų294%0.04215%0.146CC..Hα-helixtrans-68.7-38-176.3-72.181.8000111.1V207 K211 L222 V224 K229 M230V207-H226 HydrophobicContact CG1-CB 3.98Å; K211-H226 HydrophobicContact CB-CB 4.16Å; K211-H226 HydrophobicContact CD-CB 4.5Å; K211-H226 HydrophobicContact CG-CB 4.29Å; L222-H226 WeakPolarHBondContact O-CB 3.29Å; L222-H226 PolarHBondContact O-N 2.87Å; L222-H226 PolarHBondContact O-ND1 3.13Å; V224-H226 PolarHBondContact O-N 2.97Å; H226-K229 PolarHBondContact O-N 2.84Å; H226-M230 WeakPolarHBondContact O-CG 3.29Å; H226-M230 PolarHBondContact O-N 3.27Å
227Q96.6Very high93.6Very high16 Ų1623.3 Ų23.38%0.07512%0.121CC..Hα-helixtrans-64.7-45.1174.2-69-80.332.300112F223 V224 K229 M230 A231 A250 L253F223-Q227 WeakPolarHBondContact O-CB 3.5Å; F223-Q227 VanDerWaalsContact O-CG 3.24Å; F223-Q227 WeakPolarHBondContact O-CG 3.21Å; F223-Q227 PolarHBondContact O-N 3.45Å; F223-Q227 VanDerWaalsContact O-N 3.11Å; V224-Q227 PolarHBondContact O-N 3.29Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 2.8Å; Q227-M230 HydrophobicContact CG-CE 4.29Å; Q227-M230 PolarHBondContact O-N 3.29Å; Q227-A231 WeakPolarHBondContact O-CB 3.44Å; Q227-A231 PolarHBondContact O-N 2.9Å; Q227-A250 HydrophobicContact CB-CB 3.67Å; Q227-L253 HydrophobicContact CG-CD1 3.72Å
228F97.3Very high94Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-57.8-45.2174-179.2-87.4000111.7L12 V81 W85 M86 V224 R225 A231 F232 Y247 M270 I274L12-F228 HydrophobicContact CD1-CE2 4.49Å; L12-F228 HydrophobicContact CD1-CZ 4.24Å; V81-F228 HydrophobicContact CG1-CD1 4.45Å; V81-F228 HydrophobicContact CG1-CE1 4.36Å; V81-F228 HydrophobicContact CG2-CB 4.39Å; V81-F228 HydrophobicContact CG2-CD1 3.95Å; V81-F228 HydrophobicContact CG2-CG 4.19Å; W85-F228 HydrophobicContact CZ3-CE1 4.43Å; M86-F228 HydrophobicContact CG-CE1 4.35Å; M86-F228 HydrophobicContact SD-CE1 4.13Å; M86-F228 HydrophobicContact SD-CZ 3.89Å; V224-F228 WeakPolarHBondContact O-CB 3.41Å; V224-F228 PolarHBondContact O-N 3.3Å; R225-F228 PolarHBondContact O-N 3.1Å; F228-A231 WeakPolarHBondContact O-CB 3.4Å; F228-A231 PolarHBondContact O-N 3.26Å; F228-F232 HydrophobicContact CE1-CB 4.49Å; F228-F232 PolarHBondContact O-N 2.92Å; F228-Y247 HydrophobicContact CD2-CD1 4.32Å; F228-Y247 AromaticContact CD2-CE1 3.69Å; F228-Y247 HydrophobicContact CD2-CE1 3.69Å; F228-Y247 AromaticContact CE2-CE1 3.75Å; F228-Y247 HydrophobicContact CE2-CE1 3.75Å; F228-Y247 HydrophobicContact CG-CE1 4.43Å; F228-M270 HydrophobicContact CD2-CE 4.03Å; F228-M270 HydrophobicContact CE2-CE 4.16Å; F228-M270 HydrophobicContact CG-CE 4.44Å; F228-I274 HydrophobicContact CD2-CD1 4.47Å; F228-I274 HydrophobicContact CD2-CG1 3.82Å; F228-I274 HydrophobicContact CE2-CG1 4.3Å
229K96.1Very high94.6Very high42 Ų4217.8 Ų17.818%0.1838%0.083CC..Hα-helixtrans-63.3-44.7178.6-73.1-177.5175.5-172.50112.6W85 V207 R225 H226 Q227 A231 F232 L233W85-K229 HydrophobicContact CD2-CD 4.41Å; W85-K229 HydrophobicContact CD2-CG 4.13Å; W85-K229 HydrophobicContact CE3-CG 4.21Å; W85-K229 HydrophobicContact CH2-CB 3.78Å; W85-K229 HydrophobicContact CH2-CD 4.39Å; W85-K229 HydrophobicContact CH2-CG 3.59Å; W85-K229 HydrophobicContact CZ2-CB 3.88Å; W85-K229 HydrophobicContact CZ2-CD 3.78Å; W85-K229 HydrophobicContact CZ2-CG 3.49Å; W85-K229 VanDerWaalsContact CZ2-CG 3.49Å; W85-K229 HydrophobicContact CZ3-CB 4.45Å; W85-K229 HydrophobicContact CZ3-CG 3.95Å; V207-K229 HydrophobicContact CG1-CB 4.12Å; R225-K229 HydrophobicContact CG-CD 4.29Å; R225-K229 WeakPolarHBondContact O-CB 3.36Å; R225-K229 VanDerWaalsContact O-CG 3.23Å; R225-K229 WeakPolarHBondContact O-CG 3.45Å; R225-K229 PolarHBondContact O-N 2.85Å; H226-K229 PolarHBondContact O-N 2.84Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 2.8Å; K229-A231 VanDerWaalsContact C-N 3.29Å; K229-A231 PolarHBondContact O-N 3.45Å; K229-F232 PolarHBondContact O-N 2.87Å; K229-L233 WeakPolarHBondContact O-CB 3.28Å; K229-L233 VanDerWaalsContact O-CG 3.23Å; K229-L233 WeakPolarHBondContact O-CG 3.43Å; K229-L233 PolarHBondContact O-N 2.91Å
230M97.1Very high94.9Very high3 Ų319.5 Ų19.52%0.0159%0.094CC..Hα-helixtrans-61.2-41.8175.3-71.6-175.9-62.200110.8I204 V207 K208 K211 H226 Q227 L233 S234 Y246I204-M230 HydrophobicContact CG2-CG 4.4Å; V207-M230 HydrophobicContact CB-CG 4Å; V207-M230 HydrophobicContact CG1-CG 3.61Å; V207-M230 HydrophobicContact CG1-SD 4.43Å; K208-M230 HydrophobicContact CB-SD 3.81Å; K208-M230 HydrophobicContact CG-SD 4.29Å; K211-M230 HydrophobicContact CD-CE 4.03Å; H226-M230 WeakPolarHBondContact O-CG 3.29Å; H226-M230 PolarHBondContact O-N 3.27Å; Q227-M230 HydrophobicContact CG-CE 4.29Å; Q227-M230 PolarHBondContact O-N 3.29Å; M230-L233 PolarHBondContact O-N 3.23Å; M230-S234 WeakPolarHBondContact O-CB 3.47Å; M230-S234 PolarHBondContact O-N 2.89Å; M230-S234 PolarHBondContact O-OG 2.81Å; M230-S234 VanDerWaalsContact O-OG 3.05Å; M230-Y246 HydrophobicContact CB-CD1 4.48Å; M230-Y246 HydrophobicContact CB-CD2 3.93Å; M230-Y246 HydrophobicContact CB-CE2 4.23Å; M230-Y246 HydrophobicContact CB-CG 4.08Å; M230-Y246 HydrophobicContact CE-CD1 4.29Å; M230-Y246 HydrophobicContact CE-CE1 4.38Å
231A97.4Very high95.2Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-61-48.8177.200000112.5Q227 F228 K229 S234 E235 A243 Y247Q227-A231 WeakPolarHBondContact O-CB 3.44Å; Q227-A231 PolarHBondContact O-N 2.9Å; F228-A231 WeakPolarHBondContact O-CB 3.4Å; F228-A231 PolarHBondContact O-N 3.26Å; K229-A231 VanDerWaalsContact C-N 3.29Å; K229-A231 PolarHBondContact O-N 3.45Å; A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.5Å; A231-E235 PolarHBondContact O-N 3.08Å; A231-A243 WeakPolarHBondContact O-CB 3.26Å; A231-Y247 HydrophobicContact CB-CD1 3.55Å; A231-Y247 HydrophobicContact CB-CD2 3.55Å; A231-Y247 HydrophobicContact CB-CE1 3.54Å; A231-Y247 HydrophobicContact CB-CE2 3.54Å; A231-Y247 HydrophobicContact CB-CG 3.53Å
232F96.7Very high95.4Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-67-38.8179.8-168.1-91.9000112.6P16 W85 M86 L90 F228 K229 S234 E235 L236 Y247P16-F232 HydrophobicContact CB-CZ 4.45Å; P16-F232 HydrophobicContact CG-CE2 4.08Å; P16-F232 HydrophobicContact CG-CZ 4.26Å; W85-F232 HydrophobicContact CH2-CB 4.33Å; W85-F232 HydrophobicContact CH2-CD1 4.13Å; W85-F232 HydrophobicContact CZ3-CB 4.05Å; W85-F232 AromaticContact CZ3-CD1 3.78Å; W85-F232 HydrophobicContact CZ3-CD1 3.78Å; W85-F232 HydrophobicContact CZ3-CG 4.06Å; M86-F232 HydrophobicContact CB-CE1 4.5Å; M86-F232 HydrophobicContact CB-CZ 4.1Å; M86-F232 HydrophobicContact CG-CD2 4.48Å; M86-F232 HydrophobicContact CG-CE2 4.13Å; M86-F232 HydrophobicContact CG-CZ 4.15Å; M86-F232 HydrophobicContact SD-CD2 4.28Å; M86-F232 HydrophobicContact SD-CE2 3.9Å; M86-F232 HydrophobicContact SD-CZ 4.44Å; L90-F232 HydrophobicContact CD1-CZ 4.03Å; L90-F232 HydrophobicContact CD2-CE1 4.48Å; L90-F232 HydrophobicContact CD2-CZ 4.15Å; L90-F232 HydrophobicContact CG-CE1 4.34Å; L90-F232 HydrophobicContact CG-CZ 4.03Å; F228-F232 HydrophobicContact CE1-CB 4.49Å; F228-F232 PolarHBondContact O-N 2.92Å; K229-F232 PolarHBondContact O-N 2.87Å; F232-S234 VanDerWaalsContact C-N 3.33Å; F232-E235 WeakPolarHBondContact O-CB 3.31Å; F232-E235 PolarHBondContact O-N 3.31Å; F232-L236 HydrophobicContact CD1-CD1 3.91Å; F232-L236 HydrophobicContact CD1-CG 4.42Å; F232-L236 HydrophobicContact CE1-CD1 3.82Å; F232-L236 HydrophobicContact CE1-CG 4.25Å; F232-L236 PolarHBondContact O-N 2.93Å; F232-Y247 WeakPolarHBondContact CA-OH 3.49Å; F232-Y247 PolarHBondContact N-OH 3.49Å
233L96.4Very high95.7Very high2 Ų224.2 Ų24.21%0.0112%0.117CC..Hα-helixtrans-66.8-34.7173.7-70.1167000111.7W85 Y200 E203 I204 V207 K229 M230 L236 K237W85-L233 HydrophobicContact CH2-CG 4.24Å; Y200-L233 HydrophobicContact CD1-CD2 3.91Å; Y200-L233 HydrophobicContact CE1-CD2 4.37Å; E203-L233 HydrophobicContact CB-CD1 4.22Å; I204-L233 HydrophobicContact CD1-CB 4.13Å; I204-L233 HydrophobicContact CG1-CB 3.55Å; I204-L233 HydrophobicContact CG1-CD1 4.31Å; V207-L233 HydrophobicContact CG2-CD1 4.07Å; K229-L233 WeakPolarHBondContact O-CB 3.28Å; K229-L233 VanDerWaalsContact O-CG 3.23Å; K229-L233 WeakPolarHBondContact O-CG 3.43Å; K229-L233 PolarHBondContact O-N 2.91Å; M230-L233 PolarHBondContact O-N 3.23Å; L233-L236 HydrophobicContact CD2-CD1 4.17Å; L233-L236 PolarHBondContact O-N 3.05Å; L233-K237 WeakPolarHBondContact O-CB 3.42Å; L233-K237 PolarHBondContact O-N 3.2Å
234S96.7Very high95.9Very high3 Ų323.8 Ų23.82%0.02112%0.116CC..Hα-helixtrans-64.9-37.1171.4-68.50000112M230 A231 F232 K237 Q238 D239M230-S234 WeakPolarHBondContact O-CB 3.47Å; M230-S234 PolarHBondContact O-N 2.89Å; M230-S234 PolarHBondContact O-OG 2.81Å; M230-S234 VanDerWaalsContact O-OG 3.05Å; A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.5Å; F232-S234 VanDerWaalsContact C-N 3.33Å; S234-K237 CarbonylContact O-C 3.45Å; S234-K237 WeakPolarHBondContact O-CB 3.25Å; S234-K237 PolarHBondContact O-N 2.86Å; S234-Q238 PolarHBondContact O-N 3.24Å; S234-Q238 VanDerWaalsContact O-N 3.09Å; S234-D239 PolarHBondContact O-N 3.34Å
235E95.2Very high96Very high11 Ų1130.6 Ų30.65%0.05115%0.145CC..Hα-helixtrans-62.2-44170.5-73.6-169.6-96.700111.9P16 A231 F232 K237 Q238 A243 Y247 K277P16-E235 HydrophobicContact CB-CB 4.07Å; P16-E235 WeakPolarHBondContact CD-OE2 3.01Å; P16-E235 HydrophobicContact CG-CB 3.85Å; A231-E235 PolarHBondContact O-N 3.08Å; F232-E235 WeakPolarHBondContact O-CB 3.31Å; F232-E235 PolarHBondContact O-N 3.31Å; E235-K237 PolarHBondContact O-N 3.3Å; E235-Q238 WeakPolarHBondContact O-CA 3.25Å; E235-Q238 PolarHBondContact O-N 2.75Å; E235-Q238 PolarHBondContact O-NE2 2.86Å; E235-A243 HydrophobicContact CG-CB 3.78Å; E235-Y247 HydrophobicContact CG-CE2 4.21Å; E235-Y247 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y247 WeakPolarHBondContact OE1-CE2 3.34Å; E235-Y247 PolarHBondContact OE1-OH 2.99Å; E235-K277 VanDerWaalsContact CD-NZ 3.33Å; E235-K277 WeakPolarHBondContact OE1-CD 3.38Å; E235-K277 WeakPolarHBondContact OE1-CE 3.49Å; E235-K277 IonicContact OE1-NZ 2.71Å; E235-K277 PolarHBondContact OE1-NZ 2.59Å; E235-K277 IonicContact OE2-NZ 2.96Å; E235-K277 PolarHBondContact OE2-NZ 3Å
236L94.3Very high96.1Very high0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-60.5-35.6175.3-74.2165.8000112.1P16 M17 H89 L90 Y200 F232 L233 Q238P16-L236 HydrophobicContact CB-CD2 3.67Å; P16-L236 HydrophobicContact CB-CG 3.9Å; M17-L236 WeakPolarHBondContact O-CD2 3.41Å; H89-L236 HydrophobicContact CB-CD1 4.17Å; L90-L236 HydrophobicContact CD2-CD2 4.01Å; Y200-L236 HydrophobicContact CD1-CB 4Å; Y200-L236 HydrophobicContact CD1-CD1 4.29Å; Y200-L236 HydrophobicContact CD2-CB 4.17Å; Y200-L236 HydrophobicContact CE1-CB 3.83Å; Y200-L236 HydrophobicContact CE1-CD1 3.7Å; Y200-L236 HydrophobicContact CE1-CG 4.28Å; Y200-L236 HydrophobicContact CE2-CB 4.01Å; Y200-L236 HydrophobicContact CG-CB 4.17Å; F232-L236 HydrophobicContact CD1-CD1 3.91Å; F232-L236 HydrophobicContact CD1-CG 4.42Å; F232-L236 HydrophobicContact CE1-CD1 3.82Å; F232-L236 HydrophobicContact CE1-CG 4.25Å; F232-L236 PolarHBondContact O-N 2.93Å; L233-L236 HydrophobicContact CD2-CD1 4.17Å; L233-L236 PolarHBondContact O-N 3.05Å; L236-Q238 PolarHBondContact O-N 2.77Å
237K94.3Very high96.3Very high45 Ų4531.4 Ų31.420%0.19615%0.148CC..THydrogen-bonded Turntrans-72.4-6.4170.8-167.2-174.3164.6-67.20113Q197 I204 L233 S234 E235 D239Q197-K237 VanDerWaalsContact CD-O 3.26Å; Q197-K237 PolarHBondContact NE2-O 2.94Å; Q197-K237 PolarHBondContact OE1-O 2.72Å; I204-K237 HydrophobicContact CD1-CD 4.16Å; L233-K237 WeakPolarHBondContact O-CB 3.42Å; L233-K237 PolarHBondContact O-N 3.2Å; S234-K237 CarbonylContact O-C 3.45Å; S234-K237 WeakPolarHBondContact O-CB 3.25Å; S234-K237 PolarHBondContact O-N 2.86Å; E235-K237 PolarHBondContact O-N 3.3Å; K237-D239 HydrophobicContact CD-CB 4.49Å; K237-D239 IonicContact NZ-OD2 3.95Å; K237-D239 PolarHBondContact O-N 3.02Å
238Q92.8Very high96.3Very high40 Ų4035.5 Ų35.519%0.18716%0.163CC..THydrogen-bonded Turntrans60.121-171.6-48.2-63.4-64.100114.5P16 P50 Y193 S234 E235 L236 T240P16-Q238 PolarHBondContact O-NE2 3.46Å; P50-Q238 HydrophobicContact CB-CG 4.49Å; P50-Q238 HydrophobicContact CG-CG 3.43Å; P50-Q238 VanDerWaalsContact CG-CG 3.43Å; Y193-Q238 HydrophobicContact CE2-CG 4.26Å; Y193-Q238 WeakPolarHBondContact OH-CB 3.4Å; Y193-Q238 WeakPolarHBondContact OH-CG 3.08Å; S234-Q238 PolarHBondContact O-N 3.24Å; S234-Q238 VanDerWaalsContact O-N 3.09Å; E235-Q238 WeakPolarHBondContact O-CA 3.25Å; E235-Q238 PolarHBondContact O-N 2.75Å; E235-Q238 PolarHBondContact O-NE2 2.86Å; L236-Q238 PolarHBondContact O-N 2.77Å; Q238-T240 PolarHBondContact O-N 2.85Å
239D95.1Very high96.3Very high37 Ų3737 Ų3720%0.19818%0.175CC..  trans-9076.5172-173.6-15.1000109.6S234 K237 Q241 N242 A243S234-D239 PolarHBondContact O-N 3.34Å; K237-D239 HydrophobicContact CD-CB 4.49Å; K237-D239 IonicContact NZ-OD2 3.95Å; K237-D239 PolarHBondContact O-N 3.02Å; D239-Q241 VanDerWaalsContact C-N 3.29Å; D239-Q241 PolarHBondContact O-N 2.77Å; D239-N242 PolarHBondContact O-N 2.9Å; D239-N242 WeakPolarHBondContact OD1-CB 3Å; D239-N242 PolarHBondContact OD1-N 2.88Å; D239-N242 VanDerWaalsContact OD1-N 3.12Å; D239-N242 PolarHBondContact OD1-ND2 3.48Å; D239-N242 PolarHBondContact OD2-ND2 2.92Å; D239-A243 WeakPolarHBondContact O-CB 3.07Å; D239-A243 PolarHBondContact O-N 3.29Å
240T95.1Very high96.4Very high42 Ų4235 Ų3526%0.25817%0.167SC..Hα-helixtrans-68.4-26.5-172.159.90000112.9Q238 L244 L281 H285Q238-T240 PolarHBondContact O-N 2.85Å; T240-L244 WeakPolarHBondContact O-CB 3.25Å; T240-L244 PolarHBondContact O-N 2.8Å; T240-L281 HydrophobicContact CG2-CD2 4.24Å; T240-H285 WeakPolarHBondContact CB-NE2 3.18Å; T240-H285 PolarHBondContact OG1-NE2 2.67Å
241Q95.9Very high96.4Very high149 Ų14935.1 Ų35.170%0.69617%0.167SC*.Hα-helixtrans-69.4-50.2176.3-68.1-174.9-5.900111.7D239 A243 L244 K245D239-Q241 VanDerWaalsContact C-N 3.29Å; D239-Q241 PolarHBondContact O-N 2.77Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; Q241-L244 PolarHBondContact O-N 3.03Å; Q241-K245 PolarHBondContact O-N 2.86Å; Q241-K245 VanDerWaalsContact O-N 3.09Å
242N95.9Very high96.4Very high60 Ų6037.9 Ų37.932%0.32119%0.186SC..Hα-helixtrans-68.6-34.4176.1-77.3-48.3000111.7D239 L244 K245 Y246D239-N242 PolarHBondContact O-N 2.9Å; D239-N242 WeakPolarHBondContact OD1-CB 3Å; D239-N242 PolarHBondContact OD1-N 2.88Å; D239-N242 VanDerWaalsContact OD1-N 3.12Å; D239-N242 PolarHBondContact OD1-ND2 3.48Å; D239-N242 PolarHBondContact OD2-ND2 2.92Å; N242-L244 PolarHBondContact O-N 3.1Å; N242-K245 PolarHBondContact O-N 2.66Å; N242-Y246 HydrophobicContact CB-CD2 4.38Å; N242-Y246 HydrophobicContact CB-CE2 4.04Å; N242-Y246 WeakPolarHBondContact O-CD2 3.25Å; N242-Y246 PolarHBondContact O-N 3.24Å
243A97.3Very high96.3Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-55.9-50.6172.500000111.3A231 E235 D239 Q241 K245 Y246 Y247 L281A231-A243 WeakPolarHBondContact O-CB 3.26Å; E235-A243 HydrophobicContact CG-CB 3.78Å; D239-A243 WeakPolarHBondContact O-CB 3.07Å; D239-A243 PolarHBondContact O-N 3.29Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; A243-K245 VanDerWaalsContact C-N 3.34Å; A243-K245 PolarHBondContact O-N 3.36Å; A243-Y246 PolarHBondContact O-N 3.27Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.13Å; A243-L281 HydrophobicContact CB-CD1 4.12Å
244L97.6Very high96.3Very high18 Ų1839.5 Ų39.59%0.09420%0.195CC..Hα-helixtrans-59.6-43.1177.9178.663.2000111.8T240 Q241 N242 Y247 R248 I278 L281T240-L244 WeakPolarHBondContact O-CB 3.25Å; T240-L244 PolarHBondContact O-N 2.8Å; Q241-L244 PolarHBondContact O-N 3.03Å; N242-L244 PolarHBondContact O-N 3.1Å; L244-Y247 PolarHBondContact O-N 3.16Å; L244-R248 HydrophobicContact CD1-CG 4.32Å; L244-R248 WeakPolarHBondContact O-CB 3.5Å; L244-R248 WeakPolarHBondContact O-CG 3.45Å; L244-R248 PolarHBondContact O-N 2.87Å; L244-I278 HydrophobicContact CD1-CB 4.33Å; L244-I278 HydrophobicContact CD1-CG1 4.41Å; L244-I278 HydrophobicContact CD1-CG2 3.81Å; L244-L281 HydrophobicContact CB-CB 4.41Å; L244-L281 HydrophobicContact CB-CD1 4.04Å; L244-L281 HydrophobicContact CD1-CB 4.09Å; L244-L281 HydrophobicContact CD1-CD1 4.46Å
245K97.5Very high96.1Very high142 Ų14241.3 Ų41.362%0.61720%0.203SC*.Hα-helixtrans-60.1-46.7176.5-176.5178.9-179.4175.10112.1Q241 N242 A243 R248 A249Q241-K245 PolarHBondContact O-N 2.86Å; Q241-K245 VanDerWaalsContact O-N 3.09Å; N242-K245 PolarHBondContact O-N 2.66Å; A243-K245 VanDerWaalsContact C-N 3.34Å; A243-K245 PolarHBondContact O-N 3.36Å; K245-R248 PolarHBondContact O-N 3.33Å; K245-A249 PolarHBondContact O-N 3.13Å
246Y98.1Very high96Very high49 Ų4947.3 Ų47.319%0.19223%0.231CC..Hα-helixtrans-68.9-36.7179-67-47000112.3M230 N242 A243 A249 A250M230-Y246 HydrophobicContact CB-CD1 4.48Å; M230-Y246 HydrophobicContact CB-CD2 3.93Å; M230-Y246 HydrophobicContact CB-CE2 4.23Å; M230-Y246 HydrophobicContact CB-CG 4.08Å; M230-Y246 HydrophobicContact CE-CD1 4.29Å; M230-Y246 HydrophobicContact CE-CE1 4.38Å; N242-Y246 HydrophobicContact CB-CD2 4.38Å; N242-Y246 HydrophobicContact CB-CE2 4.04Å; N242-Y246 WeakPolarHBondContact O-CD2 3.25Å; N242-Y246 PolarHBondContact O-N 3.24Å; A243-Y246 PolarHBondContact O-N 3.27Å; Y246-A249 PolarHBondContact O-N 3.17Å; Y246-A250 WeakPolarHBondContact O-CB 3.4Å; Y246-A250 PolarHBondContact O-N 2.72Å
247Y98.3Very high95.8Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-64.5-44.9172.8-80.9-54.7000112.2F228 A231 F232 E235 A243 L244 A249 A250 Y251 I274 K277 L281F228-Y247 HydrophobicContact CD2-CD1 4.32Å; F228-Y247 AromaticContact CD2-CE1 3.69Å; F228-Y247 HydrophobicContact CD2-CE1 3.69Å; F228-Y247 AromaticContact CE2-CE1 3.75Å; F228-Y247 HydrophobicContact CE2-CE1 3.75Å; F228-Y247 HydrophobicContact CG-CE1 4.43Å; A231-Y247 HydrophobicContact CB-CD1 3.55Å; A231-Y247 HydrophobicContact CB-CD2 3.55Å; A231-Y247 HydrophobicContact CB-CE1 3.54Å; A231-Y247 HydrophobicContact CB-CE2 3.54Å; A231-Y247 HydrophobicContact CB-CG 3.53Å; F232-Y247 WeakPolarHBondContact CA-OH 3.49Å; F232-Y247 PolarHBondContact N-OH 3.49Å; E235-Y247 HydrophobicContact CG-CE2 4.21Å; E235-Y247 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y247 WeakPolarHBondContact OE1-CE2 3.34Å; E235-Y247 PolarHBondContact OE1-OH 2.99Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.13Å; L244-Y247 PolarHBondContact O-N 3.16Å; Y247-A249 VanDerWaalsContact C-N 3.28Å; Y247-A249 PolarHBondContact O-N 3.36Å; Y247-A250 WeakPolarHBondContact O-CB 3.43Å; Y247-A250 PolarHBondContact O-N 2.74Å; Y247-Y251 WeakPolarHBondContact O-CB 3.44Å; Y247-Y251 PolarHBondContact O-N 3.28Å; Y247-I274 HydrophobicContact CD1-CG1 4.49Å; Y247-I274 HydrophobicContact CD1-CG2 4.16Å; Y247-I274 VanDerWaalsContact O-CG2 3.27Å; Y247-I274 WeakPolarHBondContact O-CG2 3.33Å; Y247-K277 HydrophobicContact CD1-CB 4.22Å; Y247-K277 HydrophobicContact CD2-CB 4.02Å; Y247-K277 HydrophobicContact CE1-CB 4.07Å; Y247-K277 HydrophobicContact CE1-CG 4.18Å; Y247-K277 HydrophobicContact CE2-CB 3.87Å; Y247-K277 HydrophobicContact CE2-CD 4.47Å; Y247-K277 HydrophobicContact CE2-CG 4.21Å; Y247-K277 HydrophobicContact CG-CB 4.22Å; Y247-L281 HydrophobicContact CD2-CD1 3.7Å; Y247-L281 HydrophobicContact CE2-CD1 4.12Å
248R97.9Very high95.5Very high102 Ų10254.8 Ų54.839%0.38526%0.259SS..Hα-helixtrans-58.6-41.2174.3-73.9-179.6179.2-169.50.8111.4L244 K245 Y251 S252 I278 D290L244-R248 HydrophobicContact CD1-CG 4.32Å; L244-R248 WeakPolarHBondContact O-CB 3.5Å; L244-R248 WeakPolarHBondContact O-CG 3.45Å; L244-R248 PolarHBondContact O-N 2.87Å; K245-R248 PolarHBondContact O-N 3.33Å; R248-Y251 WeakPolarHBondContact O-CB 3.3Å; R248-Y251 PolarHBondContact O-N 2.59Å; R248-S252 PolarHBondContact O-N 2.73Å; R248-S252 VanDerWaalsContact O-N 3.13Å; R248-S252 PolarHBondContact O-OG 3.29Å; R248-I278 HydrophobicContact CG-CD1 4.15Å; R248-I278 HydrophobicContact CG-CG1 4.42Å; R248-I278 HydrophobicContact CG-CG2 4.48Å; R248-D290 IonicContact NH2-OD2 3.28Å; R248-D290 PolarHBondContact NH2-OD2 2.91Å
249A97.4Very high95.1Very high31 Ų3154.7 Ų54.726%0.25627%0.265SS..Hα-helixtrans-66.6-41.6175.100000112.7K245 Y246 Y247 Y251 S252 L253K245-A249 PolarHBondContact O-N 3.13Å; Y246-A249 PolarHBondContact O-N 3.17Å; Y247-A249 VanDerWaalsContact C-N 3.28Å; Y247-A249 PolarHBondContact O-N 3.36Å; A249-Y251 VanDerWaalsContact C-N 3.28Å; A249-Y251 PolarHBondContact O-N 2.75Å; A249-S252 PolarHBondContact O-N 3.19Å; A249-L253 WeakPolarHBondContact O-CD1 3.47Å; A249-L253 WeakPolarHBondContact O-CG 3.43Å; A249-L253 PolarHBondContact O-N 3.3Å
250A97.7Very high94.6Very high0 Ų056.3 Ų56.30%027%0.271CS..Hα-helixtrans-61-40.4174.100000111.2Q227 Y246 Y247 L253 V254 I274Q227-A250 HydrophobicContact CB-CB 3.67Å; Y246-A250 WeakPolarHBondContact O-CB 3.4Å; Y246-A250 PolarHBondContact O-N 2.72Å; Y247-A250 WeakPolarHBondContact O-CB 3.43Å; Y247-A250 PolarHBondContact O-N 2.74Å; A250-L253 PolarHBondContact O-N 2.74Å; A250-V254 WeakPolarHBondContact O-CG2 3.16Å; A250-V254 PolarHBondContact O-N 3.1Å; A250-I274 HydrophobicContact CB-CD1 3.89Å; A250-I274 HydrophobicContact CB-CG1 4.49Å
251Y97.7Very high93.9Very high7 Ų761.1 Ų61.13%0.02729%0.291CS..Hα-helixtrans-61.3-49179.1-170.2-101.6000112Y247 R248 A249 L253 V254 H255 A271 I274 N275 I278 H298Y247-Y251 WeakPolarHBondContact O-CB 3.44Å; Y247-Y251 PolarHBondContact O-N 3.28Å; R248-Y251 WeakPolarHBondContact O-CB 3.3Å; R248-Y251 PolarHBondContact O-N 2.59Å; A249-Y251 VanDerWaalsContact C-N 3.28Å; A249-Y251 PolarHBondContact O-N 2.75Å; Y251-L253 VanDerWaalsContact C-N 3.33Å; Y251-L253 PolarHBondContact O-N 3.42Å; Y251-V254 PolarHBondContact O-N 2.7Å; Y251-H255 AromaticContact CE1-CD2 3.77Å; Y251-H255 AromaticContact CE1-NE2 3.85Å; Y251-H255 AromaticContact CE2-NE2 3.61Å; Y251-H255 AromaticContact CZ-CD2 3.66Å; Y251-H255 AromaticContact CZ-NE2 3.26Å; Y251-H255 VanDerWaalsContact CZ-NE2 3.26Å; Y251-H255 PolarHBondContact O-CD2 3.34Å; Y251-H255 PolarHBondContact O-N 3.48Å; Y251-H255 PolarHBondContact OH-NE2 2.83Å; Y251-H255 VanDerWaalsContact OH-NE2 3.15Å; Y251-A271 HydrophobicContact CE2-CB 4.45Å; Y251-I274 HydrophobicContact CD2-CB 4.31Å; Y251-I274 HydrophobicContact CD2-CG2 3.94Å; Y251-I274 HydrophobicContact CG-CG2 4.3Å; Y251-N275 HydrophobicContact CE2-CB 4.04Å; Y251-I278 HydrophobicContact CD2-CD1 4.39Å; Y251-I278 HydrophobicContact CG-CD1 4.13Å; Y251-H298 AromaticContact CE2-ND1 3.59Å; Y251-H298 AromaticContact CZ-ND1 3.68Å; Y251-H298 WeakPolarHBondContact OH-CA 3.37Å; Y251-H298 VanDerWaalsContact OH-CB 3.28Å; Y251-H298 WeakPolarHBondContact OH-CB 3.38Å; Y251-H298 PolarHBondContact OH-ND1 3.25Å
252S96.6Very high93.2Very high58 Ų5855.8 Ų55.841%0.40627%0.269SS..Hα-helixtrans-57.4-47.5175.6-600000111.5R248 A249 V254 H255 E256R248-S252 PolarHBondContact O-N 2.73Å; R248-S252 VanDerWaalsContact O-N 3.13Å; R248-S252 PolarHBondContact O-OG 3.29Å; A249-S252 PolarHBondContact O-N 3.19Å; S252-V254 VanDerWaalsContact C-N 3.32Å; S252-V254 PolarHBondContact O-N 3.22Å; S252-H255 PolarHBondContact O-N 3.31Å; S252-H255 VanDerWaalsContact O-N 3.13Å; S252-E256 PolarHBondContact O-N 2.91Å; S252-E256 VanDerWaalsContact O-N 3.15Å
253L95.5Very high92.8Very high36 Ų3653.7 Ų53.719%0.18826%0.257CS..Hα-helixtrans-63.5-33.5179.8-69.9164.3000113.3F223 V224 Q227 A249 A250 Y251 H255 E256 L257F223-L253 HydrophobicContact CB-CD1 4.2Å; V224-L253 HydrophobicContact CG2-CB 3.76Å; Q227-L253 HydrophobicContact CG-CD1 3.72Å; A249-L253 WeakPolarHBondContact O-CD1 3.47Å; A249-L253 WeakPolarHBondContact O-CG 3.43Å; A249-L253 PolarHBondContact O-N 3.3Å; A250-L253 PolarHBondContact O-N 2.74Å; Y251-L253 VanDerWaalsContact C-N 3.33Å; Y251-L253 PolarHBondContact O-N 3.42Å; L253-H255 VanDerWaalsContact C-N 3.3Å; L253-H255 PolarHBondContact O-N 3.44Å; L253-E256 PolarHBondContact O-N 3.44Å; L253-L257 PolarHBondContact O-N 3.01Å
254V95.1Very high92.4Very high0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-64.6-37175.6168.70000111.5V224 A250 Y251 S252 E256 L257 I267 A271 I274V224-V254 HydrophobicContact CB-CG2 4.09Å; V224-V254 HydrophobicContact CG1-CG2 3.24Å; V224-V254 HydrophobicContact CG2-CB 4.43Å; V224-V254 HydrophobicContact CG2-CG2 3.66Å; A250-V254 WeakPolarHBondContact O-CG2 3.16Å; A250-V254 PolarHBondContact O-N 3.1Å; Y251-V254 PolarHBondContact O-N 2.7Å; S252-V254 VanDerWaalsContact C-N 3.32Å; S252-V254 PolarHBondContact O-N 3.22Å; V254-E256 VanDerWaalsContact C-N 3.33Å; V254-L257 WeakPolarHBondContact O-CB 3.38Å; V254-L257 WeakPolarHBondContact O-CG 3.07Å; V254-L257 PolarHBondContact O-N 2.79Å; V254-I267 HydrophobicContact CG1-CG2 3.89Å; V254-A271 HydrophobicContact CG1-CB 3.86Å; V254-I274 HydrophobicContact CG2-CD1 3.69Å
255H92.9Very high92Very high41 Ų4154.9 Ų54.919%0.1926%0.263CS..Hα-helixtrans-79.2-16.9178.8-77.7-84.9000113.5Y251 S252 L253 L257 K305Y251-H255 AromaticContact CE1-CD2 3.77Å; Y251-H255 AromaticContact CE1-NE2 3.85Å; Y251-H255 AromaticContact CE2-NE2 3.61Å; Y251-H255 AromaticContact CZ-CD2 3.66Å; Y251-H255 AromaticContact CZ-NE2 3.26Å; Y251-H255 VanDerWaalsContact CZ-NE2 3.26Å; Y251-H255 PolarHBondContact O-CD2 3.34Å; Y251-H255 PolarHBondContact O-N 3.48Å; Y251-H255 PolarHBondContact OH-NE2 2.83Å; Y251-H255 VanDerWaalsContact OH-NE2 3.15Å; S252-H255 PolarHBondContact O-N 3.31Å; S252-H255 VanDerWaalsContact O-N 3.13Å; L253-H255 VanDerWaalsContact C-N 3.3Å; L253-H255 PolarHBondContact O-N 3.44Å; H255-L257 VanDerWaalsContact C-N 3.31Å; H255-K305 PolarHBondContact ND1-NZ 3.36Å
256E92.2Very high91.7Very high137 Ų13748.4 Ų48.464%0.6424%0.235SC*.Hα-helixtrans-77.5-14.8169.6-70170.8-158.800112.9S252 L253 V254S252-E256 PolarHBondContact O-N 2.91Å; S252-E256 VanDerWaalsContact O-N 3.15Å; L253-E256 PolarHBondContact O-N 3.44Å; V254-E256 VanDerWaalsContact C-N 3.33Å
257L90.6Very high91.4Very high13 Ų1346.2 Ų46.27%0.06823%0.227CC..SBendtrans-64.7136.3176.1-61.6179.7000111.1I80 Q220 L221 V224 L253 V254 H255 A259 I267I80-L257 HydrophobicContact CD1-CD1 3.75Å; I80-L257 HydrophobicContact CG1-CD1 4.46Å; Q220-L257 HydrophobicContact CB-CD2 3.58Å; L221-L257 HydrophobicContact CD2-CD1 3.74Å; L221-L257 HydrophobicContact CD2-CD2 3.95Å; L221-L257 HydrophobicContact CD2-CG 4.46Å; V224-L257 HydrophobicContact CG2-CD1 4.18Å; V224-L257 HydrophobicContact CG2-CD2 4.46Å; V224-L257 HydrophobicContact CG2-CG 4.4Å; L253-L257 PolarHBondContact O-N 3.01Å; V254-L257 WeakPolarHBondContact O-CB 3.38Å; V254-L257 WeakPolarHBondContact O-CG 3.07Å; V254-L257 PolarHBondContact O-N 2.79Å; H255-L257 VanDerWaalsContact C-N 3.31Å; L257-A259 PolarHBondContact O-N 3.39Å; L257-I267 HydrophobicContact CB-CD1 4.01Å; L257-I267 HydrophobicContact CB-CG1 4.47Å; L257-I267 HydrophobicContact CD1-CG1 4.15Å
258R87.5Confident91.1Very high188 Ų18846.7 Ų46.771%0.70923%0.229SC*.PPolyproline II helixtrans-66.4118.1172.5-166.4177.7-176.5-178.2-0.9109.9H260 N263R258-H260 WeakPolarHBondContact CD-NE2 3.24Å; R258-H260 WeakPolarHBondContact CG-NE2 3.38Å; R258-H260 PolarHBondContact NE-CE1 3.02Å; R258-N263 PolarHBondContact O-ND2 3.37Å
259A85.6Confident90.8Very high39 Ų3942.6 Ų42.632%0.32222%0.215SC..PPolyproline II helixtrans-93.8127.9-177.600000111.2L257 M264 I267L257-A259 PolarHBondContact O-N 3.39Å; A259-M264 HydrophobicContact CB-CE 3.54Å; A259-M264 HydrophobicContact CB-SD 3.88Å; A259-I267 HydrophobicContact CB-CD1 4.06Å
260H83.6Confident90.6Very high71 Ų7141.1 Ų41.133%0.32920%0.203SC..  trans-127.2161.1175.6-62-68.9000108.6R258 T262 N263 M264R258-H260 WeakPolarHBondContact CD-NE2 3.24Å; R258-H260 WeakPolarHBondContact CG-NE2 3.38Å; R258-H260 PolarHBondContact NE-CE1 3.02Å; H260-T262 PolarHBondContact O-N 3.35Å; H260-T262 VanDerWaalsContact O-N 3.12Å; H260-N263 PolarHBondContact N-OD1 3.22Å; H260-N263 PolarHBondContact O-N 3.43Å; H260-N263 PolarHBondContact O-OD1 3.22Å; H260-M264 VanDerWaalsContact O-CB 3.3Å; H260-M264 WeakPolarHBondContact O-CB 3.45Å; H260-M264 PolarHBondContact O-N 3.26Å
261E80.3Confident90.5Very high142 Ų14241.2 Ų41.266%0.66420%0.203SC*.THydrogen-bonded Turntrans-55.2-34177.9-64.5-174.7161.700112.4N263E261-N263 PolarHBondContact O-N 2.74Å
262T82.1Confident90.4Very high38 Ų3840.9 Ų40.923%0.23320%0.202CC..THydrogen-bonded Turntrans-70.8-28.1-177.761.40000114.6H260 S401 T405H260-T262 PolarHBondContact O-N 3.35Å; H260-T262 VanDerWaalsContact O-N 3.12Å; T262-S401 PolarHBondContact OG1-O 3.34Å; T262-T405 HydrophobicContact CG2-CG2 3.67Å
263N86.4Confident90.4Very high15 Ų1538.7 Ų38.78%0.0819%0.186CC..THydrogen-bonded Turntrans-119.4-3.8-175.176.2-3000113.5R258 H260 E261 L265 E266 I267R258-N263 PolarHBondContact O-ND2 3.37Å; H260-N263 PolarHBondContact N-OD1 3.22Å; H260-N263 PolarHBondContact O-N 3.43Å; H260-N263 PolarHBondContact O-OD1 3.22Å; E261-N263 PolarHBondContact O-N 2.74Å; N263-L265 VanDerWaalsContact C-N 3.28Å; N263-L265 PolarHBondContact O-N 3.21Å; N263-E266 PolarHBondContact O-N 3.3Å; N263-I267 WeakPolarHBondContact O-CG1 3.39Å; N263-I267 PolarHBondContact O-N 3.14Å
264M89.8Confident90.5Very high26 Ų2637 Ų3713%0.12818%0.177CC..Hα-helixtrans-56.9-41.7-176.8-170.566.572.500112.1A259 H260 I267 K268 K305A259-M264 HydrophobicContact CB-CE 3.54Å; A259-M264 HydrophobicContact CB-SD 3.88Å; H260-M264 VanDerWaalsContact O-CB 3.3Å; H260-M264 WeakPolarHBondContact O-CB 3.45Å; H260-M264 PolarHBondContact O-N 3.26Å; M264-I267 PolarHBondContact O-N 3.27Å; M264-K268 HydrophobicContact CG-CD 3.81Å; M264-K268 HydrophobicContact CG-CG 4.42Å; M264-K268 WeakPolarHBondContact O-CB 3.31Å; M264-K268 VanDerWaalsContact O-CG 3.28Å; M264-K268 WeakPolarHBondContact O-CG 3.36Å; M264-K268 PolarHBondContact O-N 3.47Å; M264-K268 HydrophobicContact SD-CD 4.41Å; M264-K305 HydrophobicContact CG-CB 4.49Å; M264-K305 HydrophobicContact SD-CB 3.64Å; M264-K305 HydrophobicContact SD-CD 3.98Å; M264-K305 HydrophobicContact SD-CG 3.95Å
265L89.4Confident90.6Very high17 Ų1737.1 Ų37.19%0.08918%0.177CC..Hα-helixtrans-62.8-45.7179.5179.864.3000111.5W6 N263 K268 T269 G391W6-L265 HydrophobicContact CH2-CD1 3.5Å; W6-L265 VanDerWaalsContact CH2-CD1 3.5Å; W6-L265 HydrophobicContact CZ3-CD1 3.47Å; W6-L265 VanDerWaalsContact CZ3-CD1 3.47Å; N263-L265 VanDerWaalsContact C-N 3.28Å; N263-L265 PolarHBondContact O-N 3.21Å; L265-K268 PolarHBondContact O-N 3.08Å; L265-T269 VanDerWaalsContact O-CB 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.43Å; L265-T269 PolarHBondContact O-N 3.18Å; L265-T269 PolarHBondContact O-OG1 2.58Å; L265-G391 CarbonylContact C-O 3.58Å; L265-G391 WeakPolarHBondContact CB-O 3.39Å; L265-G391 WeakPolarHBondContact CD2-O 3.36Å; L265-G391 VanDerWaalsContact CG-O 3.25Å; L265-G391 WeakPolarHBondContact CG-O 3.42Å
266E90.3Very high90.8Very high7 Ų736.2 Ų36.23%0.03317%0.172CC..Hα-helixtrans-62.5-45.3177.6174.1170.8-148.800111.1G79 I80 N263 T269 M270 Y390 G391G79-E266 WeakPolarHBondContact CA-OE1 3.37Å; I80-E266 HydrophobicContact CB-CG 4.41Å; I80-E266 HydrophobicContact CD1-CG 3.86Å; I80-E266 HydrophobicContact CG1-CG 4Å; I80-E266 PolarHBondContact N-OE1 2.73Å; N263-E266 PolarHBondContact O-N 3.3Å; E266-T269 PolarHBondContact O-N 3.04Å; E266-M270 WeakPolarHBondContact O-CB 3.35Å; E266-M270 WeakPolarHBondContact O-CG 3.14Å; E266-M270 PolarHBondContact O-N 3.18Å; E266-Y390 WeakPolarHBondContact CG-O 3.47Å; E266-G391 WeakPolarHBondContact CA-O 3.4Å; E266-G391 PolarHBondContact N-O 2.82Å; E266-G391 VanDerWaalsContact N-O 3.11Å
267I91.9Very high91Very high2 Ų229.7 Ų29.71%0.0114%0.142CC..Hα-helixtrans-60.4-48176.5-67.3172.8000110.8I80 V254 L257 A259 N263 M264 M270 A271I80-I267 HydrophobicContact CD1-CG1 4.47Å; V254-I267 HydrophobicContact CG1-CG2 3.89Å; L257-I267 HydrophobicContact CB-CD1 4.01Å; L257-I267 HydrophobicContact CB-CG1 4.47Å; L257-I267 HydrophobicContact CD1-CG1 4.15Å; A259-I267 HydrophobicContact CB-CD1 4.06Å; N263-I267 WeakPolarHBondContact O-CG1 3.39Å; N263-I267 PolarHBondContact O-N 3.14Å; M264-I267 PolarHBondContact O-N 3.27Å; I267-M270 PolarHBondContact O-N 3.46Å; I267-A271 VanDerWaalsContact O-CB 3.25Å; I267-A271 WeakPolarHBondContact O-CB 3.19Å; I267-A271 PolarHBondContact O-N 2.85Å
268K92Very high91.3Very high10 Ų1029.1 Ų29.14%0.04314%0.139CC..Hα-helixtrans-65.5-42.9179.9-74.4167.672177.40112.2M264 L265 M270 A271 G272 K305 I306 H315 W318M264-K268 HydrophobicContact CG-CD 3.81Å; M264-K268 HydrophobicContact CG-CG 4.42Å; M264-K268 WeakPolarHBondContact O-CB 3.31Å; M264-K268 VanDerWaalsContact O-CG 3.28Å; M264-K268 WeakPolarHBondContact O-CG 3.36Å; M264-K268 PolarHBondContact O-N 3.47Å; M264-K268 HydrophobicContact SD-CD 4.41Å; L265-K268 PolarHBondContact O-N 3.08Å; K268-M270 PolarHBondContact O-N 3.18Å; K268-A271 PolarHBondContact O-N 3.18Å; K268-G272 PolarHBondContact O-N 2.84Å; K268-K305 HydrophobicContact CD-CB 4.11Å; K268-K305 WeakPolarHBondContact CD-O 3.43Å; K268-K305 WeakPolarHBondContact CE-O 3.47Å; K268-K305 HydrophobicContact CG-CB 4.35Å; K268-K305 PolarHBondContact NZ-O 3.03Å; K268-I306 PolarHBondContact NZ-O 3.43Å; K268-H315 PolarHBondContact NZ-ND1 3Å; K268-W318 HydrophobicContact CB-CZ2 4.13Å; K268-W318 WeakPolarHBondContact O-CZ2 3.45Å
269T92.4Very high91.8Very high17 Ų1720.2 Ų20.210%0.10411%0.105CC..Hα-helixtrans-60.1-48.9178.4-57.50000110.1L265 E266 G272 F273L265-T269 VanDerWaalsContact O-CB 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.43Å; L265-T269 PolarHBondContact O-N 3.18Å; L265-T269 PolarHBondContact O-OG1 2.58Å; E266-T269 PolarHBondContact O-N 3.04Å; T269-G272 PolarHBondContact O-N 3.23Å; T269-F273 HydrophobicContact CG2-CD1 4.42Å; T269-F273 HydrophobicContact CG2-CE1 3.82Å; T269-F273 HydrophobicContact CG2-CE2 4.04Å; T269-F273 HydrophobicContact CG2-CZ 3.6Å; T269-F273 WeakPolarHBondContact O-CD1 3.36Å; T269-F273 WeakPolarHBondContact O-CG 3.44Å; T269-F273 PolarHBondContact O-N 3Å
270M94.1Very high92.3Very high0 Ų019.4 Ų19.40%09%0.094CC..Hα-helixtrans-68-38.1177.8-71.6-55.3-45.700113.2I80 V81 F228 E266 I267 K268 G272 F273 I274 Y390I80-M270 HydrophobicContact CB-CG 3.97Å; I80-M270 HydrophobicContact CD1-CB 4.22Å; I80-M270 HydrophobicContact CD1-CG 4.05Å; I80-M270 HydrophobicContact CG2-CB 4.4Å; I80-M270 HydrophobicContact CG2-CE 4.38Å; I80-M270 HydrophobicContact CG2-CG 3.82Å; I80-M270 HydrophobicContact CG2-SD 4.49Å; V81-M270 HydrophobicContact CB-CE 3.97Å; V81-M270 HydrophobicContact CB-SD 3.96Å; V81-M270 HydrophobicContact CG2-CE 3.73Å; V81-M270 HydrophobicContact CG2-SD 4.34Å; F228-M270 HydrophobicContact CD2-CE 4.03Å; F228-M270 HydrophobicContact CE2-CE 4.16Å; F228-M270 HydrophobicContact CG-CE 4.44Å; E266-M270 WeakPolarHBondContact O-CB 3.35Å; E266-M270 WeakPolarHBondContact O-CG 3.14Å; E266-M270 PolarHBondContact O-N 3.18Å; I267-M270 PolarHBondContact O-N 3.46Å; K268-M270 PolarHBondContact O-N 3.18Å; M270-G272 VanDerWaalsContact C-N 3.33Å; M270-F273 PolarHBondContact O-N 3.38Å; M270-F273 HydrophobicContact SD-CD2 4.08Å; M270-I274 WeakPolarHBondContact O-CB 3.46Å; M270-I274 WeakPolarHBondContact O-CD1 3.31Å; M270-I274 VanDerWaalsContact O-CG1 3.29Å; M270-I274 WeakPolarHBondContact O-CG1 3.35Å; M270-I274 PolarHBondContact O-N 3.48Å; M270-Y390 HydrophobicContact SD-CD2 4.38Å
271A94.9Very high92.8Very high1 Ų116 Ų161%0.0088%0.078CC..Hα-helixtrans-60.4-44.2173.300000111.1Y251 V254 I267 K268 I274 N275Y251-A271 HydrophobicContact CE2-CB 4.45Å; V254-A271 HydrophobicContact CG1-CB 3.86Å; I267-A271 VanDerWaalsContact O-CB 3.25Å; I267-A271 WeakPolarHBondContact O-CB 3.19Å; I267-A271 PolarHBondContact O-N 2.85Å; K268-A271 PolarHBondContact O-N 3.18Å; A271-I274 PolarHBondContact O-N 3.41Å; A271-N275 WeakPolarHBondContact O-CB 3.4Å; A271-N275 PolarHBondContact O-N 3.04Å
272G95.3Very high93.6Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-61.8-44.9175.700000112.3K268 T269 M270 I274 N275 Y276K268-G272 PolarHBondContact O-N 2.84Å; T269-G272 PolarHBondContact O-N 3.23Å; M270-G272 VanDerWaalsContact C-N 3.33Å; G272-I274 PolarHBondContact O-N 3.45Å; G272-N275 PolarHBondContact O-N 3.4Å; G272-Y276 WeakPolarHBondContact O-CB 3.3Å; G272-Y276 PolarHBondContact O-N 2.84Å
273F96Very high94.1Very high13 Ų138.4 Ų8.46%0.0574%0.04CC..Hα-helixtrans-62.6-45177.8-71.22.5000112.6L8 P9 L12 T269 M270 K277 Y390L8-F273 HydrophobicContact CD2-CD1 3.67Å; L8-F273 HydrophobicContact CD2-CE1 3.77Å; P9-F273 HydrophobicContact CG-CE1 4.29Å; P9-F273 HydrophobicContact CG-CE2 3.74Å; P9-F273 HydrophobicContact CG-CZ 3.49Å; P9-F273 VanDerWaalsContact CG-CZ 3.49Å; L12-F273 HydrophobicContact CD1-CB 4.23Å; L12-F273 HydrophobicContact CD2-CB 3.76Å; L12-F273 HydrophobicContact CD2-CD1 3.75Å; L12-F273 HydrophobicContact CD2-CD2 4.34Å; L12-F273 HydrophobicContact CD2-CE1 4.45Å; L12-F273 HydrophobicContact CD2-CG 3.69Å; T269-F273 HydrophobicContact CG2-CD1 4.42Å; T269-F273 HydrophobicContact CG2-CE1 3.82Å; T269-F273 HydrophobicContact CG2-CE2 4.04Å; T269-F273 HydrophobicContact CG2-CZ 3.6Å; T269-F273 WeakPolarHBondContact O-CD1 3.36Å; T269-F273 WeakPolarHBondContact O-CG 3.44Å; T269-F273 PolarHBondContact O-N 3Å; M270-F273 PolarHBondContact O-N 3.38Å; M270-F273 HydrophobicContact SD-CD2 4.08Å; F273-K277 PolarHBondContact O-N 2.8Å; F273-K277 VanDerWaalsContact O-N 3.14Å; F273-Y390 HydrophobicContact CD2-CG 4.45Å; F273-Y390 AromaticContact CE2-CD1 3.52Å; F273-Y390 HydrophobicContact CE2-CD1 3.52Å; F273-Y390 HydrophobicContact CE2-CD2 4.1Å; F273-Y390 AromaticContact CE2-CE1 3.96Å; F273-Y390 HydrophobicContact CE2-CE1 3.96Å; F273-Y390 HydrophobicContact CE2-CE2 4.5Å; F273-Y390 AromaticContact CE2-CG 3.59Å; F273-Y390 HydrophobicContact CE2-CG 3.59Å; F273-Y390 AromaticContact CZ-CD1 3.97Å; F273-Y390 HydrophobicContact CZ-CD1 3.97Å; F273-Y390 HydrophobicContact CZ-CE1 4.43Å; F273-Y390 HydrophobicContact CZ-CG 4.39Å
274I97.3Very high94.4Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-65.5-43.1177-66.9162.4000109.9V224 F228 Y247 A250 Y251 V254 M270 A271 G272 Y276 K277 I278V224-I274 HydrophobicContact CG1-CD1 4.48Å; F228-I274 HydrophobicContact CD2-CD1 4.47Å; F228-I274 HydrophobicContact CD2-CG1 3.82Å; F228-I274 HydrophobicContact CE2-CG1 4.3Å; Y247-I274 HydrophobicContact CD1-CG1 4.49Å; Y247-I274 HydrophobicContact CD1-CG2 4.16Å; Y247-I274 VanDerWaalsContact O-CG2 3.27Å; Y247-I274 WeakPolarHBondContact O-CG2 3.33Å; A250-I274 HydrophobicContact CB-CD1 3.89Å; A250-I274 HydrophobicContact CB-CG1 4.49Å; Y251-I274 HydrophobicContact CD2-CB 4.31Å; Y251-I274 HydrophobicContact CD2-CG2 3.94Å; Y251-I274 HydrophobicContact CG-CG2 4.3Å; V254-I274 HydrophobicContact CG2-CD1 3.69Å; M270-I274 WeakPolarHBondContact O-CB 3.46Å; M270-I274 WeakPolarHBondContact O-CD1 3.31Å; M270-I274 VanDerWaalsContact O-CG1 3.29Å; M270-I274 WeakPolarHBondContact O-CG1 3.35Å; M270-I274 PolarHBondContact O-N 3.48Å; A271-I274 PolarHBondContact O-N 3.41Å; G272-I274 PolarHBondContact O-N 3.45Å; I274-Y276 PolarHBondContact O-N 2.87Å; I274-K277 PolarHBondContact O-N 2.8Å; I274-I278 HydrophobicContact CG2-CD1 3.79Å; I274-I278 HydrophobicContact CG2-CG1 4.31Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.42Å; I274-I278 PolarHBondContact O-N 3.17Å
275N97.4Very high94.6Very high2 Ų213.7 Ų13.71%0.0116%0.063CC..Hα-helixtrans-61.6-44.2178.6-173.863.5000112.1Y251 A271 G272 K277 I278 C279 Q294 H298Y251-N275 HydrophobicContact CE2-CB 4.04Å; A271-N275 WeakPolarHBondContact O-CB 3.4Å; A271-N275 PolarHBondContact O-N 3.04Å; G272-N275 PolarHBondContact O-N 3.4Å; N275-K277 VanDerWaalsContact C-N 3.34Å; N275-K277 PolarHBondContact O-N 2.91Å; N275-I278 PolarHBondContact O-N 2.76Å; N275-C279 PolarHBondContact O-N 2.93Å; N275-C279 PolarHBondContact O-SG 2.99Å; N275-Q294 WeakPolarHBondContact OD1-CG 3.35Å; N275-Q294 PolarHBondContact OD1-NE2 2.9Å; N275-H298 HydrophobicContact CB-CB 4.48Å; N275-H298 VanDerWaalsContact CG-CG 3.48Å; N275-H298 PolarHBondContact ND2-CD2 3.41Å; N275-H298 WeakPolarHBondContact OD1-CB 3.35Å
276Y97.1Very high94.6Very high23 Ų2318.3 Ų18.39%0.099%0.088CC..Hα-helixtrans-55.6-48.6174.1174.6-94.2000111.3L8 L12 G272 I274 C279 R280 L329L8-Y276 HydrophobicContact CD1-CD1 4.2Å; L8-Y276 HydrophobicContact CD1-CD2 3.28Å; L8-Y276 HydrophobicContact CD1-CE1 4.3Å; L8-Y276 HydrophobicContact CD1-CE2 3.41Å; L8-Y276 VanDerWaalsContact CD1-CE2 3.41Å; L8-Y276 HydrophobicContact CD1-CG 3.71Å; L12-Y276 HydrophobicContact CD2-CD1 3.89Å; L12-Y276 HydrophobicContact CD2-CG 4.49Å; L12-Y276 HydrophobicContact CG-CD1 4.12Å; L12-Y276 HydrophobicContact CG-CE1 4.47Å; G272-Y276 WeakPolarHBondContact O-CB 3.3Å; G272-Y276 PolarHBondContact O-N 2.84Å; I274-Y276 PolarHBondContact O-N 2.87Å; Y276-C279 PolarHBondContact O-N 2.82Å; Y276-R280 WeakPolarHBondContact O-CB 3.21Å; Y276-R280 PolarHBondContact O-N 2.84Å; Y276-L329 HydrophobicContact CD2-CD1 3.51Å; Y276-L329 HydrophobicContact CD2-CG 4.08Å; Y276-L329 HydrophobicContact CE2-CD1 3.52Å; Y276-L329 HydrophobicContact CE2-CD2 3.71Å; Y276-L329 HydrophobicContact CE2-CG 3.57Å; Y276-L329 HydrophobicContact CG-CD1 4.27Å
277K96.8Very high94.8Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-63-41.7176.9-75.9-65.8-161.9165.70112.9L12 E235 Y247 F273 I274 N275 L281L12-K277 HydrophobicContact CD1-CD 4.31Å; L12-K277 HydrophobicContact CD1-CG 3.82Å; L12-K277 HydrophobicContact CG-CG 4.35Å; L12-K277 WeakPolarHBondContact O-CE 3.38Å; L12-K277 PolarHBondContact O-NZ 2.5Å; L12-K277 VanDerWaalsContact O-NZ 3.16Å; E235-K277 VanDerWaalsContact CD-NZ 3.33Å; E235-K277 WeakPolarHBondContact OE1-CD 3.38Å; E235-K277 WeakPolarHBondContact OE1-CE 3.49Å; E235-K277 IonicContact OE1-NZ 2.71Å; E235-K277 PolarHBondContact OE1-NZ 2.59Å; E235-K277 IonicContact OE2-NZ 2.96Å; E235-K277 PolarHBondContact OE2-NZ 3Å; Y247-K277 HydrophobicContact CD1-CB 4.22Å; Y247-K277 HydrophobicContact CD2-CB 4.02Å; Y247-K277 HydrophobicContact CE1-CB 4.07Å; Y247-K277 HydrophobicContact CE1-CG 4.18Å; Y247-K277 HydrophobicContact CE2-CB 3.87Å; Y247-K277 HydrophobicContact CE2-CD 4.47Å; Y247-K277 HydrophobicContact CE2-CG 4.21Å; Y247-K277 HydrophobicContact CG-CB 4.22Å; F273-K277 PolarHBondContact O-N 2.8Å; F273-K277 VanDerWaalsContact O-N 3.14Å; I274-K277 PolarHBondContact O-N 2.8Å; N275-K277 VanDerWaalsContact C-N 3.34Å; N275-K277 PolarHBondContact O-N 2.91Å; K277-L281 WeakPolarHBondContact O-CB 3.48Å; K277-L281 VanDerWaalsContact O-CG 3.29Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 3.35Å
278I97.9Very high94.8Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-61-51.1175.6-67.6168.1000110.5L244 R248 Y251 I274 N275 R280 L281 C282 Q294L244-I278 HydrophobicContact CD1-CB 4.33Å; L244-I278 HydrophobicContact CD1-CG1 4.41Å; L244-I278 HydrophobicContact CD1-CG2 3.81Å; R248-I278 HydrophobicContact CG-CD1 4.15Å; R248-I278 HydrophobicContact CG-CG1 4.42Å; R248-I278 HydrophobicContact CG-CG2 4.48Å; Y251-I278 HydrophobicContact CD2-CD1 4.39Å; Y251-I278 HydrophobicContact CG-CD1 4.13Å; I274-I278 HydrophobicContact CG2-CD1 3.79Å; I274-I278 HydrophobicContact CG2-CG1 4.31Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.42Å; I274-I278 PolarHBondContact O-N 3.17Å; N275-I278 PolarHBondContact O-N 2.76Å; I278-R280 VanDerWaalsContact C-N 3.34Å; I278-R280 PolarHBondContact O-N 2.95Å; I278-L281 PolarHBondContact O-N 3.32Å; I278-C282 PolarHBondContact O-N 3.2Å; I278-C282 PolarHBondContact O-SG 3.16Å; I278-Q294 HydrophobicContact CB-CG 4.37Å; I278-Q294 HydrophobicContact CG2-CB 4.42Å; I278-Q294 HydrophobicContact CG2-CG 3.69Å
279C97.2Very high94.8Very high1 Ų126.3 Ų26.31%0.00714%0.135CC..Hα-helixtrans-61.3-43.9-178.3-64.10000111.2N275 Y276 L281 C282 F283 A291 F326 L329N275-C279 PolarHBondContact O-N 2.93Å; N275-C279 PolarHBondContact O-SG 2.99Å; Y276-C279 PolarHBondContact O-N 2.82Å; C279-L281 PolarHBondContact O-N 2.84Å; C279-C282 PolarHBondContact O-N 2.87Å; C279-F283 WeakPolarHBondContact O-CD2 3.48Å; C279-F283 PolarHBondContact O-N 3.2Å; C279-A291 HydrophobicContact CB-CB 4.44Å; C279-F326 HydrophobicContact CB-CD2 4.02Å; C279-F326 HydrophobicContact CB-CE2 3.92Å; C279-L329 HydrophobicContact CB-CD1 4.17Å
280R95.7Very high94.9Very high22 Ų2229 Ų298%0.08315%0.149CC..Hα-helixtrans-60.1-44.8176.2-172.9178.1-176.7-163.45.6112.4C13 C14 Y276 I278 F283 Q284 L329C13-R280 PolarHBondContact O-NH1 2.99Å; C13-R280 PolarHBondContact O-NH2 3.11Å; C14-R280 PolarHBondContact O-NH1 2.92Å; Y276-R280 WeakPolarHBondContact O-CB 3.21Å; Y276-R280 PolarHBondContact O-N 2.84Å; I278-R280 VanDerWaalsContact C-N 3.34Å; I278-R280 PolarHBondContact O-N 2.95Å; R280-F283 PolarHBondContact O-N 2.73Å; R280-Q284 WeakPolarHBondContact O-CG 3.41Å; R280-Q284 PolarHBondContact O-N 3Å; R280-L329 HydrophobicContact CB-CD1 4.13Å; R280-L329 HydrophobicContact CB-CD2 3.93Å; R280-L329 HydrophobicContact CG-CD2 3.89Å
281L95.3Very high95Very high1 Ų129 Ų291%0.00515%0.149CC..Hα-helixtrans-66.3-40.2176.9-72.5170.5000111.9T240 A243 L244 Y247 K277 I278 C279 F283 Q284 H285T240-L281 HydrophobicContact CG2-CD2 4.24Å; A243-L281 HydrophobicContact CB-CD1 4.12Å; L244-L281 HydrophobicContact CB-CB 4.41Å; L244-L281 HydrophobicContact CB-CD1 4.04Å; L244-L281 HydrophobicContact CD1-CB 4.09Å; L244-L281 HydrophobicContact CD1-CD1 4.46Å; Y247-L281 HydrophobicContact CD2-CD1 3.7Å; Y247-L281 HydrophobicContact CE2-CD1 4.12Å; K277-L281 WeakPolarHBondContact O-CB 3.48Å; K277-L281 VanDerWaalsContact O-CG 3.29Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 3.35Å; I278-L281 PolarHBondContact O-N 3.32Å; C279-L281 PolarHBondContact O-N 2.84Å; L281-F283 VanDerWaalsContact C-N 3.34Å; L281-F283 PolarHBondContact O-N 3.02Å; L281-Q284 WeakPolarHBondContact O-CB 3.25Å; L281-Q284 PolarHBondContact O-N 3.41Å; L281-H285 WeakPolarHBondContact O-CB 3.22Å; L281-H285 VanDerWaalsContact O-CG 3.31Å; L281-H285 PolarHBondContact O-N 2.71Å
282C95.7Very high95Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-60.3-42.9173.7-69.20000111.6I278 C279 H285 N286 T287 D290 A291I278-C282 PolarHBondContact O-N 3.2Å; I278-C282 PolarHBondContact O-SG 3.16Å; C279-C282 PolarHBondContact O-N 2.87Å; C282-H285 CarbonylContact O-C 3.54Å; C282-H285 PolarHBondContact O-N 3.24Å; C282-N286 PolarHBondContact O-N 3.44Å; C282-T287 PolarHBondContact O-N 3.42Å; C282-T287 PolarHBondContact O-OG1 3.24Å; C282-T287 VanDerWaalsContact O-OG1 3.07Å; C282-D290 HydrophobicContact CB-CB 4.45Å; C282-A291 HydrophobicContact CB-CB 3.73Å
283F94.2Very high95Very high19 Ų1932.1 Ų32.18%0.08317%0.173CC..Hα-helixtrans-63.2-41173.9-74.6-54.3000112.5C279 R280 L281 H285 N286 P288 A291 F326 L329 F330 A333 L338C279-F283 WeakPolarHBondContact O-CD2 3.48Å; C279-F283 PolarHBondContact O-N 3.2Å; R280-F283 PolarHBondContact O-N 2.73Å; L281-F283 VanDerWaalsContact C-N 3.34Å; L281-F283 PolarHBondContact O-N 3.02Å; F283-H285 VanDerWaalsContact C-N 3.29Å; F283-H285 PolarHBondContact O-N 3.48Å; F283-N286 PolarHBondContact O-N 3.35Å; F283-P288 HydrophobicContact CD1-CB 4.23Å; F283-P288 HydrophobicContact CE1-CB 3.97Å; F283-A291 HydrophobicContact CD1-CB 4.3Å; F283-A291 HydrophobicContact CD2-CB 4.25Å; F283-A291 HydrophobicContact CE1-CB 4.03Å; F283-A291 HydrophobicContact CE2-CB 3.97Å; F283-A291 HydrophobicContact CG-CB 4.4Å; F283-A291 HydrophobicContact CZ-CB 3.85Å; F283-F326 AromaticContact CE2-CE2 3.97Å; F283-F326 HydrophobicContact CE2-CE2 3.97Å; F283-F326 HydrophobicContact CE2-CZ 4.11Å; F283-F326 HydrophobicContact CZ-CE1 4.43Å; F283-F326 HydrophobicContact CZ-CE2 4.15Å; F283-F326 AromaticContact CZ-CZ 3.81Å; F283-F326 HydrophobicContact CZ-CZ 3.81Å; F283-L329 HydrophobicContact CD2-CB 4.18Å; F283-L329 HydrophobicContact CE2-CB 4.08Å; F283-F330 HydrophobicContact CE1-CB 4.46Å; F283-F330 AromaticContact CE1-CD2 3.76Å; F283-F330 HydrophobicContact CE1-CD2 3.76Å; F283-F330 HydrophobicContact CE1-CE2 4.25Å; F283-F330 HydrophobicContact CE1-CG 4.13Å; F283-F330 HydrophobicContact CE2-CB 4.22Å; F283-F330 HydrophobicContact CZ-CB 3.76Å; F283-F330 HydrophobicContact CZ-CD1 4.41Å; F283-F330 AromaticContact CZ-CD2 3.92Å; F283-F330 HydrophobicContact CZ-CD2 3.92Å; F283-F330 AromaticContact CZ-CG 3.78Å; F283-F330 HydrophobicContact CZ-CG 3.78Å; F283-A333 HydrophobicContact CB-CB 3.83Å; F283-A333 HydrophobicContact CD1-CB 3.77Å; F283-A333 HydrophobicContact CD2-CB 4.46Å; F283-A333 HydrophobicContact CE1-CB 4.44Å; F283-A333 HydrophobicContact CG-CB 3.79Å; F283-L338 HydrophobicContact CD1-CD2 3.96Å; F283-L338 HydrophobicContact CE1-CD2 4.06Å
284Q91.9Very high95Very high92 Ų9232.8 Ų32.843%0.4318%0.176SC..Hα-helixtrans-63.2-33173.9-73.6177.6-7.700113.1R280 L281 N286R280-Q284 WeakPolarHBondContact O-CG 3.41Å; R280-Q284 PolarHBondContact O-N 3Å; L281-Q284 WeakPolarHBondContact O-CB 3.25Å; L281-Q284 PolarHBondContact O-N 3.41Å; Q284-N286 PolarHBondContact O-N 3.5Å
285H93.1Very high95Very high60 Ų6032.9 Ų32.928%0.27818%0.177SC..THydrogen-bonded Turntrans-81.25.6174.5-66.5173000113.2T240 L281 C282 F283 T287T240-H285 WeakPolarHBondContact CB-NE2 3.18Å; T240-H285 PolarHBondContact OG1-NE2 2.67Å; L281-H285 WeakPolarHBondContact O-CB 3.22Å; L281-H285 VanDerWaalsContact O-CG 3.31Å; L281-H285 PolarHBondContact O-N 2.71Å; C282-H285 CarbonylContact O-C 3.54Å; C282-H285 PolarHBondContact O-N 3.24Å; F283-H285 VanDerWaalsContact C-N 3.29Å; F283-H285 PolarHBondContact O-N 3.48Å; H285-T287 PolarHBondContact O-N 3.3Å
286N91Very high95Very high114 Ų11440 Ų4061%0.6120%0.204SC*.THydrogen-bonded Turntrans57.434.5-176.9-158.230.5000113.3C282 F283 Q284 P288 L338C282-N286 PolarHBondContact O-N 3.44Å; F283-N286 PolarHBondContact O-N 3.35Å; Q284-N286 PolarHBondContact O-N 3.5Å; N286-P288 WeakPolarHBondContact O-CD 3.23Å; N286-L338 WeakPolarHBondContact OD1-CD1 3.46Å
287T93.1Very high94.9Very high48 Ų4844 Ų4429%0.29422%0.222SC..  trans-113.267.5175.7560000111.3C282 H285 L289 D290 A291C282-T287 PolarHBondContact O-N 3.42Å; C282-T287 PolarHBondContact O-OG1 3.24Å; C282-T287 VanDerWaalsContact O-OG1 3.07Å; H285-T287 PolarHBondContact O-N 3.3Å; T287-L289 VanDerWaalsContact C-N 3.3Å; T287-L289 PolarHBondContact O-N 3.3Å; T287-D290 WeakPolarHBondContact O-CB 3.43Å; T287-D290 PolarHBondContact O-N 3.02Å; T287-A291 PolarHBondContact O-N 3.13Å
288P92.1Very high94.9Very high32 Ų3244 Ų4421%0.20822%0.222CC..Hα-helixtrans-63.3-32.6-175.429.4-39.7000113.3F283 N286 D290 A291 I292 L338F283-P288 HydrophobicContact CD1-CB 4.23Å; F283-P288 HydrophobicContact CE1-CB 3.97Å; N286-P288 WeakPolarHBondContact O-CD 3.23Å; P288-D290 VanDerWaalsContact C-N 3.35Å; P288-D290 PolarHBondContact O-N 3.35Å; P288-A291 WeakPolarHBondContact O-CB 3.45Å; P288-A291 PolarHBondContact O-N 3.32Å; P288-I292 VanDerWaalsContact O-CG1 3.28Å; P288-I292 WeakPolarHBondContact O-CG1 3.31Å; P288-I292 PolarHBondContact O-N 3.26Å; P288-L338 HydrophobicContact CB-CD1 4.2Å; P288-L338 HydrophobicContact CB-CD2 3.98Å; P288-L338 HydrophobicContact CG-CD1 3.94Å
289L92.3Very high94.9Very high108 Ų10844.7 Ų44.757%0.56523%0.225SC*.Hα-helixtrans-65.8-38.6178.4-64.1178.4000111.8T287 A291 I292 A293T287-L289 VanDerWaalsContact C-N 3.3Å; T287-L289 PolarHBondContact O-N 3.3Å; L289-A291 VanDerWaalsContact C-N 3.34Å; L289-I292 PolarHBondContact O-N 3.43Å; L289-A293 VanDerWaalsContact O-CB 3.28Å; L289-A293 WeakPolarHBondContact O-CB 3.23Å; L289-A293 PolarHBondContact O-N 3.11Å
290D94.4Very high94.7Very high74 Ų7450 Ų5040%0.39625%0.253SS..Hα-helixtrans-63.6-41.5173.5-83.119.7000111.1R248 C282 T287 P288 A293 Q294R248-D290 IonicContact NH2-OD2 3.28Å; R248-D290 PolarHBondContact NH2-OD2 2.91Å; C282-D290 HydrophobicContact CB-CB 4.45Å; T287-D290 WeakPolarHBondContact O-CB 3.43Å; T287-D290 PolarHBondContact O-N 3.02Å; P288-D290 VanDerWaalsContact C-N 3.35Å; P288-D290 PolarHBondContact O-N 3.35Å; D290-A293 PolarHBondContact O-N 2.94Å; D290-Q294 WeakPolarHBondContact O-CB 3.41Å; D290-Q294 PolarHBondContact O-N 3.01Å
291A95.6Very high94.6Very high0 Ų052.5 Ų52.50%027%0.268CS..Hα-helixtrans-61.6-4717600000111.2C279 C282 F283 T287 P288 L289 Q294 F295 F326C279-A291 HydrophobicContact CB-CB 4.44Å; C282-A291 HydrophobicContact CB-CB 3.73Å; F283-A291 HydrophobicContact CD1-CB 4.3Å; F283-A291 HydrophobicContact CD2-CB 4.25Å; F283-A291 HydrophobicContact CE1-CB 4.03Å; F283-A291 HydrophobicContact CE2-CB 3.97Å; F283-A291 HydrophobicContact CG-CB 4.4Å; F283-A291 HydrophobicContact CZ-CB 3.85Å; T287-A291 PolarHBondContact O-N 3.13Å; P288-A291 WeakPolarHBondContact O-CB 3.45Å; P288-A291 PolarHBondContact O-N 3.32Å; L289-A291 VanDerWaalsContact C-N 3.34Å; A291-Q294 PolarHBondContact O-N 2.81Å; A291-F295 WeakPolarHBondContact O-CB 3.39Å; A291-F295 PolarHBondContact O-N 2.83Å; A291-F326 HydrophobicContact CB-CE2 4.29Å; A291-F326 HydrophobicContact CB-CZ 4.47Å
292I94.8Very high94.4Very high8 Ų852.5 Ų52.54%0.04127%0.268CS..Hα-helixtrans-63.3-45.5178.2-67.4167.7000111P288 L289 F295 R296 F326 F330P288-I292 VanDerWaalsContact O-CG1 3.28Å; P288-I292 WeakPolarHBondContact O-CG1 3.31Å; P288-I292 PolarHBondContact O-N 3.26Å; L289-I292 PolarHBondContact O-N 3.43Å; I292-F295 PolarHBondContact O-N 2.81Å; I292-R296 HydrophobicContact CG2-CG 4.49Å; I292-R296 WeakPolarHBondContact O-CG 3.17Å; I292-R296 PolarHBondContact O-N 3.14Å; I292-F326 HydrophobicContact CG1-CE1 4.4Å; I292-F326 HydrophobicContact CG1-CZ 4Å; I292-F330 HydrophobicContact CD1-CE1 4.26Å; I292-F330 HydrophobicContact CD1-CZ 4.48Å
293A96.3Very high94.1Very high58 Ų5858.4 Ų58.448%0.47929%0.293SS..Hα-helixtrans-64.2-43.9179.300000111.6L289 D290 R296 K297L289-A293 VanDerWaalsContact O-CB 3.28Å; L289-A293 WeakPolarHBondContact O-CB 3.23Å; L289-A293 PolarHBondContact O-N 3.11Å; D290-A293 PolarHBondContact O-N 2.94Å; A293-R296 PolarHBondContact O-N 3.16Å; A293-K297 WeakPolarHBondContact O-CB 3.49Å; A293-K297 PolarHBondContact O-N 3.34Å
294Q96.8Very high93.7Very high26 Ų2666.4 Ų66.412%0.12133%0.328CS..Hα-helixtrans-60.7-45.6174.3171.36121.900111.5N275 I278 D290 A291 K297 H298N275-Q294 WeakPolarHBondContact OD1-CG 3.35Å; N275-Q294 PolarHBondContact OD1-NE2 2.9Å; I278-Q294 HydrophobicContact CB-CG 4.37Å; I278-Q294 HydrophobicContact CG2-CB 4.42Å; I278-Q294 HydrophobicContact CG2-CG 3.69Å; D290-Q294 WeakPolarHBondContact O-CB 3.41Å; D290-Q294 PolarHBondContact O-N 3.01Å; A291-Q294 PolarHBondContact O-N 2.81Å; Q294-K297 PolarHBondContact O-N 3.04Å; Q294-H298 WeakPolarHBondContact O-CB 3.48Å; Q294-H298 PolarHBondContact O-N 3.22Å
295F97.4Very high93.5Very high3 Ų363.6 Ų63.61%0.01332%0.315CS..Hα-helixtrans-64.6-44.5179.4-177.2-98.6000111.9A291 I292 K297 H298 I299 Q322 F323 F326 Y349A291-F295 WeakPolarHBondContact O-CB 3.39Å; A291-F295 PolarHBondContact O-N 2.83Å; I292-F295 PolarHBondContact O-N 2.81Å; F295-K297 PolarHBondContact O-N 2.82Å; F295-H298 WeakPolarHBondContact O-CA 3.33Å; F295-H298 WeakPolarHBondContact O-CB 3.47Å; F295-H298 PolarHBondContact O-N 3.23Å; F295-H298 VanDerWaalsContact O-N 3.08Å; F295-I299 HydrophobicContact CD1-CG1 4.07Å; F295-I299 HydrophobicContact CE1-CD1 4.09Å; F295-I299 HydrophobicContact CE1-CG1 3.61Å; F295-I299 HydrophobicContact CE2-CD1 4.02Å; F295-I299 HydrophobicContact CE2-CG1 4.18Å; F295-I299 HydrophobicContact CZ-CD1 3.6Å; F295-I299 HydrophobicContact CZ-CG1 3.66Å; F295-I299 WeakPolarHBondContact O-CG1 3.42Å; F295-I299 PolarHBondContact O-N 2.99Å; F295-Q322 HydrophobicContact CE2-CB 4.32Å; F295-Q322 WeakPolarHBondContact CE2-O 3.35Å; F295-F323 AromaticContact CE1-CD1 3.66Å; F295-F323 HydrophobicContact CE1-CD1 3.66Å; F295-F323 AromaticContact CE1-CE1 3.53Å; F295-F323 HydrophobicContact CE1-CE1 3.53Å; F295-F323 HydrophobicContact CE1-CG 4.25Å; F295-F323 HydrophobicContact CE1-CZ 4.01Å; F295-F323 HydrophobicContact CZ-CB 4.49Å; F295-F323 AromaticContact CZ-CD1 3.83Å; F295-F323 HydrophobicContact CZ-CD1 3.83Å; F295-F323 HydrophobicContact CZ-CD2 4.3Å; F295-F323 HydrophobicContact CZ-CE1 4.06Å; F295-F323 HydrophobicContact CZ-CE2 4.5Å; F295-F323 AromaticContact CZ-CG 3.95Å; F295-F323 HydrophobicContact CZ-CG 3.95Å; F295-F323 HydrophobicContact CZ-CZ 4.38Å; F295-F326 HydrophobicContact CB-CD2 3.66Å; F295-F326 HydrophobicContact CB-CE2 3.5Å; F295-F326 HydrophobicContact CB-CG 4.26Å; F295-F326 HydrophobicContact CB-CZ 3.99Å; F295-F326 HydrophobicContact CD1-CB 4.5Å; F295-F326 HydrophobicContact CD1-CD1 4.1Å; F295-F326 HydrophobicContact CD1-CD2 4.28Å; F295-F326 HydrophobicContact CD1-CE1 4.44Å; F295-F326 HydrophobicContact CD1-CG 4.01Å; F295-F326 HydrophobicContact CD2-CB 3.68Å; F295-F326 HydrophobicContact CD2-CD1 4.47Å; F295-F326 AromaticContact CD2-CD2 3.45Å; F295-F326 HydrophobicContact CD2-CD2 3.45Å; F295-F326 VanDerWaalsContact CD2-CD2 3.45Å; F295-F326 HydrophobicContact CD2-CE2 4.21Å; F295-F326 AromaticContact CD2-CG 3.59Å; F295-F326 HydrophobicContact CD2-CG 3.59Å; F295-F326 HydrophobicContact CE1-CB 4.32Å; F295-F326 HydrophobicContact CE1-CD1 4.38Å; F295-F326 HydrophobicContact CE1-CG 4.27Å; F295-F326 HydrophobicContact CE2-CB 3.48Å; F295-F326 VanDerWaalsContact CE2-CB 3.48Å; F295-F326 HydrophobicContact CE2-CD2 4.19Å; F295-F326 AromaticContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CG-CB 4.21Å; F295-F326 HydrophobicContact CG-CD1 4.15Å; F295-F326 AromaticContact CG-CD2 3.52Å; F295-F326 HydrophobicContact CG-CD2 3.52Å; F295-F326 HydrophobicContact CG-CE1 4.46Å; F295-F326 AromaticContact CG-CE2 3.87Å; F295-F326 HydrophobicContact CG-CE2 3.87Å; F295-F326 AromaticContact CG-CG 3.67Å; F295-F326 HydrophobicContact CG-CG 3.67Å; F295-F326 HydrophobicContact CG-CZ 4.33Å; F295-F326 HydrophobicContact CZ-CB 3.83Å; F295-F326 HydrophobicContact CZ-CG 4.24Å; F295-Y349 HydrophobicContact CD1-CD1 4.23Å; F295-Y349 AromaticContact CD1-CE1 3.84Å; F295-Y349 HydrophobicContact CD1-CE1 3.84Å; F295-Y349 AromaticContact CE1-CD1 3.86Å; F295-Y349 HydrophobicContact CE1-CD1 3.86Å; F295-Y349 AromaticContact CE1-CE1 3.92Å; F295-Y349 HydrophobicContact CE1-CE1 3.92Å
296R96.2Very high93.2Very high151 Ų15164.7 Ų64.757%0.5732%0.322SS*.Hα-helixtrans-56.8-49.6174.2-74.1176.7-178.9-178.61.1111.6I292 A293 H298 I299 D300I292-R296 HydrophobicContact CG2-CG 4.49Å; I292-R296 WeakPolarHBondContact O-CG 3.17Å; I292-R296 PolarHBondContact O-N 3.14Å; A293-R296 PolarHBondContact O-N 3.16Å; R296-H298 PolarHBondContact O-N 2.87Å; R296-I299 PolarHBondContact O-N 3.27Å; R296-I299 VanDerWaalsContact O-N 3.15Å; R296-D300 PolarHBondContact O-N 2.98Å
297K96.3Very high92.9Very high108 Ų10860.5 Ų60.547%0.4731%0.305SS..Hα-helixtrans-55.7-40.6174.5179.5-178.9178.6-179.80111.9A293 Q294 F295 L301A293-K297 WeakPolarHBondContact O-CB 3.49Å; A293-K297 PolarHBondContact O-N 3.34Å; Q294-K297 PolarHBondContact O-N 3.04Å; F295-K297 PolarHBondContact O-N 2.82Å; K297-L301 HydrophobicContact CG-CD1 4Å; K297-L301 WeakPolarHBondContact O-CB 3.33Å; K297-L301 VanDerWaalsContact O-CG 3.26Å; K297-L301 WeakPolarHBondContact O-CG 3.49Å; K297-L301 PolarHBondContact O-N 2.94Å; K297-L301 VanDerWaalsContact O-N 3.13Å
298H96.4Very high92.5Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-63-46.5177.917769.2000112.6Y251 N275 Q294 F295 R296 L301 C302 W318Y251-H298 AromaticContact CE2-ND1 3.59Å; Y251-H298 AromaticContact CZ-ND1 3.68Å; Y251-H298 WeakPolarHBondContact OH-CA 3.37Å; Y251-H298 VanDerWaalsContact OH-CB 3.28Å; Y251-H298 WeakPolarHBondContact OH-CB 3.38Å; Y251-H298 PolarHBondContact OH-ND1 3.25Å; N275-H298 HydrophobicContact CB-CB 4.48Å; N275-H298 VanDerWaalsContact CG-CG 3.48Å; N275-H298 PolarHBondContact ND2-CD2 3.41Å; N275-H298 WeakPolarHBondContact OD1-CB 3.35Å; Q294-H298 WeakPolarHBondContact O-CB 3.48Å; Q294-H298 PolarHBondContact O-N 3.22Å; F295-H298 WeakPolarHBondContact O-CA 3.33Å; F295-H298 WeakPolarHBondContact O-CB 3.47Å; F295-H298 PolarHBondContact O-N 3.23Å; F295-H298 VanDerWaalsContact O-N 3.08Å; R296-H298 PolarHBondContact O-N 2.87Å; H298-L301 PolarHBondContact O-N 3.34Å; H298-C302 VanDerWaalsContact CE1-SG 3.5Å; H298-C302 WeakPolarHBondContact O-CB 3.48Å; H298-C302 PolarHBondContact O-N 2.84Å; H298-C302 PolarHBondContact O-SG 2.88Å; H298-W318 AromaticContact CE1-CH2 3.88Å; H298-W318 AromaticContact NE2-CH2 3.46Å; H298-W318 WeakPolarHBondContact NE2-CH2 3.48Å; H298-W318 AromaticContact NE2-CZ2 3.75Å
299I96.2Very high92.2Very high13 Ų1361.2 Ų61.27%0.06732%0.317CS..Hα-helixtrans-63.7-45.4178.2-63.5-59.6000110.9F295 R296 L301 C302 K303 M319 Q322 F323F295-I299 HydrophobicContact CD1-CG1 4.07Å; F295-I299 HydrophobicContact CE1-CD1 4.09Å; F295-I299 HydrophobicContact CE1-CG1 3.61Å; F295-I299 HydrophobicContact CE2-CD1 4.02Å; F295-I299 HydrophobicContact CE2-CG1 4.18Å; F295-I299 HydrophobicContact CZ-CD1 3.6Å; F295-I299 HydrophobicContact CZ-CG1 3.66Å; F295-I299 WeakPolarHBondContact O-CG1 3.42Å; F295-I299 PolarHBondContact O-N 2.99Å; R296-I299 PolarHBondContact O-N 3.27Å; R296-I299 VanDerWaalsContact O-N 3.15Å; I299-L301 VanDerWaalsContact C-N 3.31Å; I299-L301 PolarHBondContact O-N 2.98Å; I299-C302 PolarHBondContact O-N 3.29Å; I299-K303 VanDerWaalsContact O-CB 3.27Å; I299-K303 WeakPolarHBondContact O-CB 3.43Å; I299-K303 PolarHBondContact O-N 3.26Å; I299-M319 HydrophobicContact CD1-CE 3.85Å; I299-M319 HydrophobicContact CD1-SD 4.38Å; I299-M319 HydrophobicContact CG2-CE 3.74Å; I299-Q322 HydrophobicContact CD1-CB 4.25Å; I299-F323 HydrophobicContact CB-CZ 4.48Å; I299-F323 HydrophobicContact CD1-CD2 4.09Å; I299-F323 HydrophobicContact CD1-CE2 3.64Å; I299-F323 HydrophobicContact CD1-CZ 4.12Å; I299-F323 HydrophobicContact CG1-CE2 3.94Å; I299-F323 HydrophobicContact CG1-CZ 3.9Å; I299-F323 HydrophobicContact CG2-CE2 3.94Å; I299-F323 HydrophobicContact CG2-CZ 3.91Å
300D94.6Very high92Very high114 Ų11460.9 Ų60.961%0.6131%0.313SS*.Hα-helixtrans-60.4-39.9179.1-68.8-27.8000112.6R296R296-D300 PolarHBondContact O-N 2.98Å
301L92.1Very high91.7Very high74 Ų7457.6 Ų57.639%0.38730%0.295SS..Hα-helixtrans-72.9-32.5177.8-70.7171.9000113K297 H298 I299K297-L301 HydrophobicContact CG-CD1 4Å; K297-L301 WeakPolarHBondContact O-CB 3.33Å; K297-L301 VanDerWaalsContact O-CG 3.26Å; K297-L301 WeakPolarHBondContact O-CG 3.49Å; K297-L301 PolarHBondContact O-N 2.94Å; K297-L301 VanDerWaalsContact O-N 3.13Å; H298-L301 PolarHBondContact O-N 3.34Å; I299-L301 VanDerWaalsContact C-N 3.31Å; I299-L301 PolarHBondContact O-N 2.98Å
302C91.2Very high91.4Very high0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-95.9-20.1-173.4-60.80000113.9H298 I299 K304 K305 H315 W318H298-C302 VanDerWaalsContact CE1-SG 3.5Å; H298-C302 WeakPolarHBondContact O-CB 3.48Å; H298-C302 PolarHBondContact O-N 2.84Å; H298-C302 PolarHBondContact O-SG 2.88Å; I299-C302 PolarHBondContact O-N 3.29Å; C302-K304 PolarHBondContact O-N 3.44Å; C302-K304 VanDerWaalsContact O-N 3.15Å; C302-K305 WeakPolarHBondContact O-CB 3.48Å; C302-K305 PolarHBondContact O-N 3.33Å; C302-H315 PolarHBondContact O-CE1 3.44Å; C302-W318 HydrophobicContact CB-CH2 3.54Å; C302-W318 HydrophobicContact CB-CZ3 3.59Å
303K90.7Very high91.3Very high124 Ų12458 Ų5854%0.53930%0.299SS..THydrogen-bonded Turntrans-57.6-28.7178.4-174.6176.2-179.3177.80113.2I299 H315I299-K303 VanDerWaalsContact O-CB 3.27Å; I299-K303 WeakPolarHBondContact O-CB 3.43Å; I299-K303 PolarHBondContact O-N 3.26Å; K303-H315 PolarHBondContact O-NE2 3.08Å
304K86.1Confident91.1Very high188 Ų18855.7 Ų55.782%0.81728%0.278SS*.THydrogen-bonded Turntrans-88.9-7.4177.7-60.4-176.2-177.4-179.20113.6C302 I306C302-K304 PolarHBondContact O-N 3.44Å; C302-K304 VanDerWaalsContact O-N 3.15Å; K304-I306 PolarHBondContact O-N 3.46Å
305K87.8Confident90.8Very high33 Ų3355.1 Ų55.114%0.14328%0.276CS..  trans-9560.7-175.5-67.5-172178.5-166.90110.4H255 M264 K268 C302H255-K305 PolarHBondContact ND1-NZ 3.36Å; M264-K305 HydrophobicContact CG-CB 4.49Å; M264-K305 HydrophobicContact SD-CB 3.64Å; M264-K305 HydrophobicContact SD-CD 3.98Å; M264-K305 HydrophobicContact SD-CG 3.95Å; K268-K305 HydrophobicContact CD-CB 4.11Å; K268-K305 WeakPolarHBondContact CD-O 3.43Å; K268-K305 WeakPolarHBondContact CE-O 3.47Å; K268-K305 HydrophobicContact CG-CB 4.35Å; K268-K305 PolarHBondContact NZ-O 3.03Å; C302-K305 WeakPolarHBondContact O-CB 3.48Å; C302-K305 PolarHBondContact O-N 3.33Å
306I85.6Confident90.7Very high82 Ų8255.6 Ų55.642%0.42128%0.279SS..  trans-64.7-47.9-174.4-54.1-177000110K268 K304 A312 H315K268-I306 PolarHBondContact NZ-O 3.43Å; K304-I306 PolarHBondContact O-N 3.46Å; I306-A312 HydrophobicContact CG2-CB 4.24Å; I306-H315 HydrophobicContact CG2-CB 4.03Å
307G84.5Confident90.5Very high26 Ų2648.6 Ų48.627%0.26825%0.254SS..  trans99.4-142.7-172.400000109.8
308C85.2Confident90.4Very high25 Ų2543.8 Ų43.817%0.16923%0.233CC..  trans-64131.5174-179.10000110.9E310 L311C308-E310 VanDerWaalsContact C-N 3.32Å; C308-E310 PolarHBondContact O-N 3.34Å; C308-L311 HydrophobicContact CB-CB 4.46Å; C308-L311 CarbonylContact O-C 3.46Å; C308-L311 PolarHBondContact O-N 3.13Å
309A85.6Confident90.3Very high70 Ų7043.8 Ų43.858%0.57923%0.233SC*.G310 helixtrans-63.9-35.2-178.600000112.9L311 A312A309-L311 PolarHBondContact O-N 3.11Å; A309-L311 VanDerWaalsContact O-N 3.15Å; A309-A312 WeakPolarHBondContact O-CB 3.3Å; A309-A312 PolarHBondContact O-N 2.95Å; A309-A312 VanDerWaalsContact O-N 3.16Å
310E87.3Confident90.3Very high102 Ų10243.7 Ų43.748%0.47723%0.233SC..G310 helixtrans-66.6-13.7177.8-62.9-177.5-158.400113.5C308 I414 Q418C308-E310 VanDerWaalsContact C-N 3.32Å; C308-E310 PolarHBondContact O-N 3.34Å; E310-I414 HydrophobicContact CB-CG2 3.99Å; E310-I414 WeakPolarHBondContact OE2-CG2 3.46Å; E310-Q418 PolarHBondContact O-NE2 3.09Å
311L88.4Confident90.3Very high5 Ų540 Ų403%0.02621%0.212CC..G310 helixtrans-117.125.9178.6-62.2177.5000111.6C308 A309 F313 E314 R393 I414 L417 Q418C308-L311 HydrophobicContact CB-CB 4.46Å; C308-L311 CarbonylContact O-C 3.46Å; C308-L311 PolarHBondContact O-N 3.13Å; A309-L311 PolarHBondContact O-N 3.11Å; A309-L311 VanDerWaalsContact O-N 3.15Å; L311-F313 HydrophobicContact CD2-CE1 3.81Å; L311-F313 HydrophobicContact CD2-CZ 3.56Å; L311-F313 PolarHBondContact O-N 3.35Å; L311-F313 VanDerWaalsContact O-N 3.13Å; L311-E314 HydrophobicContact CB-CG 4.29Å; L311-E314 WeakPolarHBondContact CD1-OE2 3.28Å; L311-E314 VanDerWaalsContact O-CB 3.32Å; L311-E314 WeakPolarHBondContact O-CB 3.3Å; L311-E314 PolarHBondContact O-N 2.74Å; L311-R393 VanDerWaalsContact CD1-NH2 3.34Å; L311-I414 HydrophobicContact CD1-CG1 3.98Å; L311-I414 HydrophobicContact CD2-CG2 3.97Å; L311-I414 HydrophobicContact CG-CG1 4.39Å; L311-I414 HydrophobicContact CG-CG2 4.14Å; L311-L417 HydrophobicContact CD1-CD1 3.95Å; L311-L417 HydrophobicContact CD2-CB 3.98Å; L311-L417 HydrophobicContact CD2-CD1 4.18Å; L311-Q418 HydrophobicContact CD2-CG 4.46Å
312A90.8Very high90.5Very high14 Ų1437 Ų3712%0.11620%0.196CC..Hα-helixtrans-55.6-31.3179.700000113.2I306 A309 E314 H315 S316 M363 F367I306-A312 HydrophobicContact CG2-CB 4.24Å; A309-A312 WeakPolarHBondContact O-CB 3.3Å; A309-A312 PolarHBondContact O-N 2.95Å; A309-A312 VanDerWaalsContact O-N 3.16Å; A312-E314 VanDerWaalsContact C-N 3.28Å; A312-E314 PolarHBondContact O-N 3.13Å; A312-H315 WeakPolarHBondContact O-CB 3.32Å; A312-H315 PolarHBondContact O-N 3.06Å; A312-H315 VanDerWaalsContact O-N 3.08Å; A312-S316 PolarHBondContact O-N 3.27Å; A312-M363 HydrophobicContact CB-SD 4.24Å; A312-F367 HydrophobicContact CB-CE2 4.31Å
313F92.1Very high90.7Very high2 Ų238 Ų381%0.00920%0.2CC..Hα-helixtrans-60.7-33.3174.663.4-96.8000112.9L311 H315 S316 A317 R360 M363 Q418 E421L311-F313 HydrophobicContact CD2-CE1 3.81Å; L311-F313 HydrophobicContact CD2-CZ 3.56Å; L311-F313 PolarHBondContact O-N 3.35Å; L311-F313 VanDerWaalsContact O-N 3.13Å; F313-H315 VanDerWaalsContact C-N 3.29Å; F313-H315 PolarHBondContact O-N 3.38Å; F313-S316 PolarHBondContact O-N 3.4Å; F313-A317 WeakPolarHBondContact O-CB 3.27Å; F313-A317 PolarHBondContact O-N 3.3Å; F313-R360 HydrophobicContact CB-CG 4.33Å; F313-M363 HydrophobicContact CB-CB 3.9Å; F313-Q418 HydrophobicContact CE1-CG 3.97Å; F313-Q418 HydrophobicContact CZ-CG 4.28Å; F313-E421 HydrophobicContact CD2-CB 4.02Å; F313-E421 VanDerWaalsContact CD2-CD 3.44Å; F313-E421 HydrophobicContact CD2-CG 3.42Å; F313-E421 VanDerWaalsContact CD2-CG 3.42Å; F313-E421 HydrophobicContact CE2-CB 3.61Å; F313-E421 HydrophobicContact CE2-CG 3.58Å; F313-E421 HydrophobicContact CG-CG 3.94Å; F313-E421 HydrophobicContact CZ-CB 3.99Å; F313-E421 HydrophobicContact CZ-CG 4.22Å
314E91Very high91Very high10 Ų1034 Ų345%0.04718%0.183CC..Hα-helixtrans-64.4-36.3174.8-73.2-165.2114.300111.1Q5 W6 L311 A312 A317 W318 R393Q5-E314 PolarHBondContact NE2-OE1 2.72Å; Q5-E314 VanDerWaalsContact NE2-OE1 3.07Å; W6-E314 HydrophobicContact CH2-CB 3.87Å; W6-E314 HydrophobicContact CH2-CG 4.31Å; W6-E314 HydrophobicContact CZ2-CB 3.52Å; W6-E314 HydrophobicContact CZ2-CG 3.68Å; W6-E314 WeakPolarHBondContact CZ2-OE1 3.33Å; L311-E314 HydrophobicContact CB-CG 4.29Å; L311-E314 WeakPolarHBondContact CD1-OE2 3.28Å; L311-E314 VanDerWaalsContact O-CB 3.32Å; L311-E314 WeakPolarHBondContact O-CB 3.3Å; L311-E314 PolarHBondContact O-N 2.74Å; A312-E314 VanDerWaalsContact C-N 3.28Å; A312-E314 PolarHBondContact O-N 3.13Å; E314-A317 PolarHBondContact O-N 3.3Å; E314-W318 WeakPolarHBondContact O-CB 3.44Å; E314-W318 PolarHBondContact O-N 2.92Å; E314-R393 VanDerWaalsContact CD-NH1 3.29Å; E314-R393 IonicContact OE1-CZ 3.99Å; E314-R393 IonicContact OE1-NH1 2.67Å; E314-R393 PolarHBondContact OE1-NH1 2.94Å; E314-R393 IonicContact OE2-CZ 2.77Å; E314-R393 VanDerWaalsContact OE2-CZ 3.24Å; E314-R393 IonicContact OE2-NH1 3.54Å; E314-R393 PolarHBondContact OE2-NH1 3.35Å; E314-R393 IonicContact OE2-NH2 3.1Å; E314-R393 PolarHBondContact OE2-NH2 3.36Å
315H92.2Very high91.4Very high14 Ų1425.2 Ų25.27%0.06515%0.146CC..Hα-helixtrans-65.4-45.3175.8179.636.6000111.3K268 C302 K303 I306 A312 F313 A317 W318 M319K268-H315 PolarHBondContact NZ-ND1 3Å; C302-H315 PolarHBondContact O-CE1 3.44Å; K303-H315 PolarHBondContact O-NE2 3.08Å; I306-H315 HydrophobicContact CG2-CB 4.03Å; A312-H315 WeakPolarHBondContact O-CB 3.32Å; A312-H315 PolarHBondContact O-N 3.06Å; A312-H315 VanDerWaalsContact O-N 3.08Å; F313-H315 VanDerWaalsContact C-N 3.29Å; F313-H315 PolarHBondContact O-N 3.38Å; H315-A317 VanDerWaalsContact C-N 3.33Å; H315-W318 AromaticContact ND1-CE3 3.99Å; H315-W318 PolarHBondContact O-N 3.01Å; H315-M319 WeakPolarHBondContact CE1-CG 3.4Å; H315-M319 WeakPolarHBondContact O-CB 2.91Å; H315-M319 VanDerWaalsContact O-CG 3.29Å; H315-M319 WeakPolarHBondContact O-CG 3.38Å; H315-M319 PolarHBondContact O-N 2.93Å
316S93.6Very high91.8Very high12 Ų1223.9 Ų23.98%0.08414%0.14CC..Hα-helixtrans-62.7-40.3176.3-60.80000111.6A312 F313 M319 S320 Y356A312-S316 PolarHBondContact O-N 3.27Å; F313-S316 PolarHBondContact O-N 3.4Å; S316-M319 PolarHBondContact O-N 3.49Å; S316-S320 WeakPolarHBondContact O-CB 3.11Å; S316-S320 PolarHBondContact O-N 3.46Å; S316-Y356 WeakPolarHBondContact CB-O 3.47Å
317A93.1Very high92.3Very high5 Ų520 Ų204%0.04112%0.12CC..Hα-helixtrans-58.9-48.6172.700000112F313 E314 H315 S320 K321 R360F313-A317 WeakPolarHBondContact O-CB 3.27Å; F313-A317 PolarHBondContact O-N 3.3Å; E314-A317 PolarHBondContact O-N 3.3Å; H315-A317 VanDerWaalsContact C-N 3.33Å; A317-S320 PolarHBondContact O-N 2.77Å; A317-K321 PolarHBondContact O-N 2.92Å; A317-R360 HydrophobicContact CB-CG 4.35Å
318W93.7Very high92.8Very high7 Ų722.4 Ų22.43%0.02712%0.124CC..Hα-helixtrans-62.3-44.2177.7179.382.6000111.9W6 K268 H298 C302 E314 H315 K321 Q322W6-W318 HydrophobicContact CD2-CB 4.39Å; W6-W318 HydrophobicContact CE3-CB 3.86Å; W6-W318 AromaticContact CE3-CD1 3.74Å; W6-W318 HydrophobicContact CE3-CG 4.21Å; W6-W318 HydrophobicContact CZ3-CB 3.94Å; W6-W318 AromaticContact CZ3-CD1 3.93Å; W6-W318 HydrophobicContact CZ3-CG 4.25Å; K268-W318 HydrophobicContact CB-CZ2 4.13Å; K268-W318 WeakPolarHBondContact O-CZ2 3.45Å; H298-W318 AromaticContact CE1-CH2 3.88Å; H298-W318 AromaticContact NE2-CH2 3.46Å; H298-W318 WeakPolarHBondContact NE2-CH2 3.48Å; H298-W318 AromaticContact NE2-CZ2 3.75Å; C302-W318 HydrophobicContact CB-CH2 3.54Å; C302-W318 HydrophobicContact CB-CZ3 3.59Å; E314-W318 WeakPolarHBondContact O-CB 3.44Å; E314-W318 PolarHBondContact O-N 2.92Å; H315-W318 AromaticContact ND1-CE3 3.99Å; H315-W318 PolarHBondContact O-N 3.01Å; W318-K321 PolarHBondContact O-N 2.91Å; W318-Q322 HydrophobicContact CD2-CG 3.98Å; W318-Q322 HydrophobicContact CE3-CG 4.14Å; W318-Q322 HydrophobicContact CH2-CG 3.85Å; W318-Q322 HydrophobicContact CZ2-CG 3.66Å; W318-Q322 HydrophobicContact CZ3-CG 4.09Å; W318-Q322 WeakPolarHBondContact O-CG 3.4Å; W318-Q322 PolarHBondContact O-N 2.83Å
319M95.1Very high93.3Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-61.5-47.7177.2-73.5-64-67.300111.6I299 H315 S316 K321 Q322 F323 Y356I299-M319 HydrophobicContact CD1-CE 3.85Å; I299-M319 HydrophobicContact CD1-SD 4.38Å; I299-M319 HydrophobicContact CG2-CE 3.74Å; H315-M319 WeakPolarHBondContact CE1-CG 3.4Å; H315-M319 WeakPolarHBondContact O-CB 2.91Å; H315-M319 VanDerWaalsContact O-CG 3.29Å; H315-M319 WeakPolarHBondContact O-CG 3.38Å; H315-M319 PolarHBondContact O-N 2.93Å; S316-M319 PolarHBondContact O-N 3.49Å; M319-K321 VanDerWaalsContact C-N 3.25Å; M319-K321 PolarHBondContact O-N 2.79Å; M319-Q322 PolarHBondContact O-N 2.87Å; M319-Q322 VanDerWaalsContact O-N 3.16Å; M319-F323 HydrophobicContact CE-CE2 4.03Å; M319-F323 WeakPolarHBondContact O-CD2 3.49Å; M319-F323 PolarHBondContact O-N 2.77Å; M319-F323 VanDerWaalsContact O-N 3.08Å; M319-Y356 HydrophobicContact CB-CD1 3.76Å; M319-Y356 HydrophobicContact CB-CD2 4.01Å; M319-Y356 HydrophobicContact CB-CE1 4.06Å; M319-Y356 HydrophobicContact CB-CE2 4.31Å; M319-Y356 HydrophobicContact CB-CG 3.74Å; M319-Y356 HydrophobicContact CE-CE1 4.22Å; M319-Y356 HydrophobicContact CE-CE2 3.87Å; M319-Y356 HydrophobicContact CG-CD1 4.38Å; M319-Y356 HydrophobicContact CG-CE1 4.26Å
320S95.6Very high93.7Very high10 Ų1018.5 Ų18.57%0.079%0.091CC..Hα-helixtrans-53.3-46.7174.6-179.20000110.7S316 A317 Q322 F323 Q324 A353S316-S320 WeakPolarHBondContact O-CB 3.11Å; S316-S320 PolarHBondContact O-N 3.46Å; A317-S320 PolarHBondContact O-N 2.77Å; S320-Q322 PolarHBondContact O-N 2.9Å; S320-F323 PolarHBondContact O-N 2.82Å; S320-Q324 WeakPolarHBondContact O-CB 3.18Å; S320-Q324 PolarHBondContact O-N 2.81Å; S320-A353 WeakPolarHBondContact CB-O 3.38Å; S320-A353 VanDerWaalsContact O-CB 3.31Å; S320-A353 WeakPolarHBondContact O-CB 3.48Å; S320-A353 PolarHBondContact OG-O 2.89Å
321K94.4Very high94Very high38 Ų3814.4 Ų14.417%0.1657%0.073CC..Hα-helixtrans-68.9-33.5179.6-166.654.7173.9177.10114W6 A317 W318 M319 Q324 S325W6-K321 HydrophobicContact CB-CB 4.32Å; W6-K321 HydrophobicContact CB-CG 4.28Å; W6-K321 WeakPolarHBondContact O-CG 3.46Å; A317-K321 PolarHBondContact O-N 2.92Å; W318-K321 PolarHBondContact O-N 2.91Å; M319-K321 VanDerWaalsContact C-N 3.25Å; M319-K321 PolarHBondContact O-N 2.79Å; K321-Q324 HydrophobicContact CD-CB 4.46Å; K321-Q324 VanDerWaalsContact CD-OE1 3.3Å; K321-S325 VanDerWaalsContact O-CB 3.31Å; K321-S325 WeakPolarHBondContact O-CB 3.43Å; K321-S325 PolarHBondContact O-N 2.88Å; K321-S325 PolarHBondContact O-OG 3.31Å
322Q95.6Very high94.2Very high10 Ų1018.2 Ų18.25%0.0479%0.09CC..Hα-helixtrans-62.4-46.4172.9-68.4-48.7-68.200111.2F295 I299 W318 M319 S320 S325 F326F295-Q322 HydrophobicContact CE2-CB 4.32Å; F295-Q322 WeakPolarHBondContact CE2-O 3.35Å; I299-Q322 HydrophobicContact CD1-CB 4.25Å; W318-Q322 HydrophobicContact CD2-CG 3.98Å; W318-Q322 HydrophobicContact CE3-CG 4.14Å; W318-Q322 HydrophobicContact CH2-CG 3.85Å; W318-Q322 HydrophobicContact CZ2-CG 3.66Å; W318-Q322 HydrophobicContact CZ3-CG 4.09Å; W318-Q322 WeakPolarHBondContact O-CG 3.4Å; W318-Q322 PolarHBondContact O-N 2.83Å; M319-Q322 PolarHBondContact O-N 2.87Å; M319-Q322 VanDerWaalsContact O-N 3.16Å; S320-Q322 PolarHBondContact O-N 2.9Å; Q322-S325 PolarHBondContact O-N 3.15Å; Q322-F326 WeakPolarHBondContact O-CB 3.03Å; Q322-F326 PolarHBondContact O-N 2.89Å
323F96.9Very high94.2Very high21 Ų2118 Ų189%0.0929%0.089CC..Hα-helixtrans-64.7-43.8176.7-87.2-81.3000112.3F295 I299 M319 S320 F326 G327 Y349 Q352 A353 Y356F295-F323 AromaticContact CE1-CD1 3.66Å; F295-F323 HydrophobicContact CE1-CD1 3.66Å; F295-F323 AromaticContact CE1-CE1 3.53Å; F295-F323 HydrophobicContact CE1-CE1 3.53Å; F295-F323 HydrophobicContact CE1-CG 4.25Å; F295-F323 HydrophobicContact CE1-CZ 4.01Å; F295-F323 HydrophobicContact CZ-CB 4.49Å; F295-F323 AromaticContact CZ-CD1 3.83Å; F295-F323 HydrophobicContact CZ-CD1 3.83Å; F295-F323 HydrophobicContact CZ-CD2 4.3Å; F295-F323 HydrophobicContact CZ-CE1 4.06Å; F295-F323 HydrophobicContact CZ-CE2 4.5Å; F295-F323 AromaticContact CZ-CG 3.95Å; F295-F323 HydrophobicContact CZ-CG 3.95Å; F295-F323 HydrophobicContact CZ-CZ 4.38Å; I299-F323 HydrophobicContact CB-CZ 4.48Å; I299-F323 HydrophobicContact CD1-CD2 4.09Å; I299-F323 HydrophobicContact CD1-CE2 3.64Å; I299-F323 HydrophobicContact CD1-CZ 4.12Å; I299-F323 HydrophobicContact CG1-CE2 3.94Å; I299-F323 HydrophobicContact CG1-CZ 3.9Å; I299-F323 HydrophobicContact CG2-CE2 3.94Å; I299-F323 HydrophobicContact CG2-CZ 3.91Å; M319-F323 HydrophobicContact CE-CE2 4.03Å; M319-F323 WeakPolarHBondContact O-CD2 3.49Å; M319-F323 PolarHBondContact O-N 2.77Å; M319-F323 VanDerWaalsContact O-N 3.08Å; S320-F323 PolarHBondContact O-N 2.82Å; F323-F326 PolarHBondContact O-N 3.37Å; F323-G327 PolarHBondContact O-N 3.01Å; F323-Y349 AromaticContact CD1-CD1 3.86Å; F323-Y349 HydrophobicContact CD1-CD1 3.86Å; F323-Y349 HydrophobicContact CE1-CD1 4.13Å; F323-Q352 HydrophobicContact CD1-CB 3.66Å; F323-Q352 HydrophobicContact CD1-CG 3.73Å; F323-Q352 HydrophobicContact CD2-CG 4Å; F323-Q352 HydrophobicContact CE1-CB 3.78Å; F323-Q352 HydrophobicContact CE1-CG 3.45Å; F323-Q352 VanDerWaalsContact CE1-CG 3.45Å; F323-Q352 HydrophobicContact CE2-CG 3.75Å; F323-Q352 HydrophobicContact CG-CB 4.1Å; F323-Q352 HydrophobicContact CG-CG 4Å; F323-Q352 HydrophobicContact CZ-CB 4.31Å; F323-Q352 HydrophobicContact CZ-CG 3.48Å; F323-Q352 VanDerWaalsContact CZ-CG 3.48Å; F323-A353 HydrophobicContact CB-CB 3.75Å; F323-Y356 AromaticContact CD2-CD2 3.83Å; F323-Y356 HydrophobicContact CD2-CD2 3.83Å; F323-Y356 AromaticContact CD2-CE2 3.84Å; F323-Y356 HydrophobicContact CD2-CE2 3.84Å; F323-Y356 AromaticContact CE2-CD2 3.95Å; F323-Y356 HydrophobicContact CE2-CD2 3.95Å; F323-Y356 AromaticContact CE2-CE2 3.45Å; F323-Y356 HydrophobicContact CE2-CE2 3.45Å; F323-Y356 VanDerWaalsContact CE2-CE2 3.45Å; F323-Y356 HydrophobicContact CZ-CE2 4.32Å
324Q96.3Very high94.2Very high40 Ų4019 Ų1919%0.1879%0.094CC..Hα-helixtrans-58.6-51.1175.2-178.9-172.40.200111S320 K321 F326 G327 E328 Y350 A353 L433S320-Q324 WeakPolarHBondContact O-CB 3.18Å; S320-Q324 PolarHBondContact O-N 2.81Å; K321-Q324 HydrophobicContact CD-CB 4.46Å; K321-Q324 VanDerWaalsContact CD-OE1 3.3Å; Q324-F326 VanDerWaalsContact C-N 3.3Å; Q324-F326 PolarHBondContact O-N 2.84Å; Q324-G327 WeakPolarHBondContact O-CA 3.25Å; Q324-G327 PolarHBondContact O-N 3.05Å; Q324-G327 VanDerWaalsContact O-N 3.11Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.5Å; Q324-E328 PolarHBondContact NE2-OE1 3.21Å; Q324-E328 WeakPolarHBondContact O-CG 3.33Å; Q324-E328 PolarHBondContact O-N 3.49Å; Q324-Y350 HydrophobicContact CG-CE1 4.4Å; Q324-A353 HydrophobicContact CB-CB 4.18Å; Q324-L433 HydrophobicContact CB-CD2 4.08Å; Q324-L433 HydrophobicContact CG-CD2 3.85Å
325S95.3Very high94.2Very high4 Ų425.9 Ų25.93%0.02812%0.124CC..Hα-helixtrans-64-35.7-176.9-52.90000112K321 Q322 L329K321-S325 VanDerWaalsContact O-CB 3.31Å; K321-S325 WeakPolarHBondContact O-CB 3.43Å; K321-S325 PolarHBondContact O-N 2.88Å; K321-S325 PolarHBondContact O-OG 3.31Å; Q322-S325 PolarHBondContact O-N 3.15Å; S325-L329 WeakPolarHBondContact O-CG 3.29Å; S325-L329 PolarHBondContact O-N 3.1Å
326F96.4Very high93.9Very high5 Ų531.7 Ų31.72%0.02216%0.155CC..Hα-helixtrans-69.5-40.3173.4-174.1-90.8000112.1C279 F283 A291 I292 F295 Q322 F323 Q324 E328 L329 F330 Y349C279-F326 HydrophobicContact CB-CD2 4.02Å; C279-F326 HydrophobicContact CB-CE2 3.92Å; F283-F326 AromaticContact CE2-CE2 3.97Å; F283-F326 HydrophobicContact CE2-CE2 3.97Å; F283-F326 HydrophobicContact CE2-CZ 4.11Å; F283-F326 HydrophobicContact CZ-CE1 4.43Å; F283-F326 HydrophobicContact CZ-CE2 4.15Å; F283-F326 AromaticContact CZ-CZ 3.81Å; F283-F326 HydrophobicContact CZ-CZ 3.81Å; A291-F326 HydrophobicContact CB-CE2 4.29Å; A291-F326 HydrophobicContact CB-CZ 4.47Å; I292-F326 HydrophobicContact CG1-CE1 4.4Å; I292-F326 HydrophobicContact CG1-CZ 4Å; F295-F326 HydrophobicContact CB-CD2 3.66Å; F295-F326 HydrophobicContact CB-CE2 3.5Å; F295-F326 HydrophobicContact CB-CG 4.26Å; F295-F326 HydrophobicContact CB-CZ 3.99Å; F295-F326 HydrophobicContact CD1-CB 4.5Å; F295-F326 HydrophobicContact CD1-CD1 4.1Å; F295-F326 HydrophobicContact CD1-CD2 4.28Å; F295-F326 HydrophobicContact CD1-CE1 4.44Å; F295-F326 HydrophobicContact CD1-CG 4.01Å; F295-F326 HydrophobicContact CD2-CB 3.68Å; F295-F326 HydrophobicContact CD2-CD1 4.47Å; F295-F326 AromaticContact CD2-CD2 3.45Å; F295-F326 HydrophobicContact CD2-CD2 3.45Å; F295-F326 VanDerWaalsContact CD2-CD2 3.45Å; F295-F326 HydrophobicContact CD2-CE2 4.21Å; F295-F326 AromaticContact CD2-CG 3.59Å; F295-F326 HydrophobicContact CD2-CG 3.59Å; F295-F326 HydrophobicContact CE1-CB 4.32Å; F295-F326 HydrophobicContact CE1-CD1 4.38Å; F295-F326 HydrophobicContact CE1-CG 4.27Å; F295-F326 HydrophobicContact CE2-CB 3.48Å; F295-F326 VanDerWaalsContact CE2-CB 3.48Å; F295-F326 HydrophobicContact CE2-CD2 4.19Å; F295-F326 AromaticContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CG-CB 4.21Å; F295-F326 HydrophobicContact CG-CD1 4.15Å; F295-F326 AromaticContact CG-CD2 3.52Å; F295-F326 HydrophobicContact CG-CD2 3.52Å; F295-F326 HydrophobicContact CG-CE1 4.46Å; F295-F326 AromaticContact CG-CE2 3.87Å; F295-F326 HydrophobicContact CG-CE2 3.87Å; F295-F326 AromaticContact CG-CG 3.67Å; F295-F326 HydrophobicContact CG-CG 3.67Å; F295-F326 HydrophobicContact CG-CZ 4.33Å; F295-F326 HydrophobicContact CZ-CB 3.83Å; F295-F326 HydrophobicContact CZ-CG 4.24Å; Q322-F326 WeakPolarHBondContact O-CB 3.03Å; Q322-F326 PolarHBondContact O-N 2.89Å; F323-F326 PolarHBondContact O-N 3.37Å; Q324-F326 VanDerWaalsContact C-N 3.3Å; Q324-F326 PolarHBondContact O-N 2.84Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 3.04Å; F326-L329 PolarHBondContact O-N 3.43Å; F326-F330 HydrophobicContact CE1-CD1 4.23Å; F326-F330 WeakPolarHBondContact O-CB 3.5Å; F326-F330 PolarHBondContact O-N 2.97Å; F326-Y349 AromaticContact CD1-CD1 3.45Å; F326-Y349 HydrophobicContact CD1-CD1 3.45Å; F326-Y349 VanDerWaalsContact CD1-CD1 3.45Å; F326-Y349 HydrophobicContact CD1-CD2 4.03Å; F326-Y349 AromaticContact CD1-CE1 3.46Å; F326-Y349 HydrophobicContact CD1-CE1 3.46Å; F326-Y349 VanDerWaalsContact CD1-CE1 3.46Å; F326-Y349 HydrophobicContact CD1-CE2 4.05Å; F326-Y349 AromaticContact CD1-CG 3.75Å; F326-Y349 HydrophobicContact CD1-CG 3.75Å; F326-Y349 AromaticContact CD1-CZ 3.77Å; F326-Y349 AromaticContact CE1-CD1 3.94Å; F326-Y349 HydrophobicContact CE1-CD1 3.94Å; F326-Y349 HydrophobicContact CE1-CD2 4.14Å; F326-Y349 AromaticContact CE1-CE1 3.46Å; F326-Y349 HydrophobicContact CE1-CE1 3.46Å; F326-Y349 VanDerWaalsContact CE1-CE1 3.46Å; F326-Y349 AromaticContact CE1-CE2 3.7Å; F326-Y349 HydrophobicContact CE1-CE2 3.7Å; F326-Y349 HydrophobicContact CE1-CG 4.26Å; F326-Y349 AromaticContact CE1-CZ 3.32Å; F326-Y349 HydrophobicContact CG-CD1 4.45Å
327G95.5Very high93.5Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-58.8-42.7172.700000112.4F323 Q324 F330 D331 Y350F323-G327 PolarHBondContact O-N 3.01Å; Q324-G327 WeakPolarHBondContact O-CA 3.25Å; Q324-G327 PolarHBondContact O-N 3.05Å; Q324-G327 VanDerWaalsContact O-N 3.11Å; G327-F330 PolarHBondContact O-N 3.02Å; G327-D331 WeakPolarHBondContact O-CB 3.17Å; G327-D331 PolarHBondContact O-N 3.19Å; G327-Y350 PolarHBondContact O-OH 3.03Å
328E94.9Very high93.2Very high77 Ų7734.8 Ų34.836%0.3619%0.185SC..Hα-helixtrans-63.2-47.2175.3-72.3167.6-17600111.6Q324 F326 F330 D331 E332 Y350Q324-E328 WeakPolarHBondContact CG-OE1 3.5Å; Q324-E328 PolarHBondContact NE2-OE1 3.21Å; Q324-E328 WeakPolarHBondContact O-CG 3.33Å; Q324-E328 PolarHBondContact O-N 3.49Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 3.04Å; E328-F330 VanDerWaalsContact C-N 3.31Å; E328-F330 PolarHBondContact O-N 2.99Å; E328-D331 PolarHBondContact O-N 2.96Å; E328-E332 WeakPolarHBondContact O-CB 3.46Å; E328-E332 PolarHBondContact O-N 3.38Å; E328-Y350 WeakPolarHBondContact CA-OH 3.25Å; E328-Y350 HydrophobicContact CG-CE1 4.13Å; E328-Y350 WeakPolarHBondContact CG-OH 3.22Å; E328-Y350 PolarHBondContact N-OH 3.24Å
329L94.8Very high92.7Very high7 Ų740.7 Ų40.74%0.03722%0.222CC..Hα-helixtrans-59.7-41175.3-78.6179.8000112.5Y276 C279 R280 F283 S325 F326 E332 A333Y276-L329 HydrophobicContact CD2-CD1 3.51Å; Y276-L329 HydrophobicContact CD2-CG 4.08Å; Y276-L329 HydrophobicContact CE2-CD1 3.52Å; Y276-L329 HydrophobicContact CE2-CD2 3.71Å; Y276-L329 HydrophobicContact CE2-CG 3.57Å; Y276-L329 HydrophobicContact CG-CD1 4.27Å; C279-L329 HydrophobicContact CB-CD1 4.17Å; R280-L329 HydrophobicContact CB-CD1 4.13Å; R280-L329 HydrophobicContact CB-CD2 3.93Å; R280-L329 HydrophobicContact CG-CD2 3.89Å; F283-L329 HydrophobicContact CD2-CB 4.18Å; F283-L329 HydrophobicContact CE2-CB 4.08Å; S325-L329 WeakPolarHBondContact O-CG 3.29Å; S325-L329 PolarHBondContact O-N 3.1Å; F326-L329 PolarHBondContact O-N 3.43Å; L329-E332 PolarHBondContact O-N 2.9Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.27Å
330F94.9Very high91.9Very high5 Ų542 Ų422%0.02223%0.232CC..Hα-helixtrans-69.6-42.1179.6-165.2177.4000110.6F283 I292 F326 G327 E328 E332 A333 I334 L338 A340 Q344 P346 Y349F283-F330 HydrophobicContact CE1-CB 4.46Å; F283-F330 AromaticContact CE1-CD2 3.76Å; F283-F330 HydrophobicContact CE1-CD2 3.76Å; F283-F330 HydrophobicContact CE1-CE2 4.25Å; F283-F330 HydrophobicContact CE1-CG 4.13Å; F283-F330 HydrophobicContact CE2-CB 4.22Å; F283-F330 HydrophobicContact CZ-CB 3.76Å; F283-F330 HydrophobicContact CZ-CD1 4.41Å; F283-F330 AromaticContact CZ-CD2 3.92Å; F283-F330 HydrophobicContact CZ-CD2 3.92Å; F283-F330 AromaticContact CZ-CG 3.78Å; F283-F330 HydrophobicContact CZ-CG 3.78Å; I292-F330 HydrophobicContact CD1-CE1 4.26Å; I292-F330 HydrophobicContact CD1-CZ 4.48Å; F326-F330 HydrophobicContact CE1-CD1 4.23Å; F326-F330 WeakPolarHBondContact O-CB 3.5Å; F326-F330 PolarHBondContact O-N 2.97Å; G327-F330 PolarHBondContact O-N 3.02Å; E328-F330 VanDerWaalsContact C-N 3.31Å; E328-F330 PolarHBondContact O-N 2.99Å; F330-E332 PolarHBondContact O-N 3.05Å; F330-A333 PolarHBondContact O-N 3.14Å; F330-I334 HydrophobicContact CD2-CD1 3.79Å; F330-I334 HydrophobicContact CD2-CG1 4.09Å; F330-I334 HydrophobicContact CE2-CD1 3.88Å; F330-I334 HydrophobicContact CE2-CG1 4.13Å; F330-I334 WeakPolarHBondContact O-CD1 3.48Å; F330-I334 VanDerWaalsContact O-CG1 3.28Å; F330-I334 WeakPolarHBondContact O-CG1 3.49Å; F330-I334 PolarHBondContact O-N 3.37Å; F330-L338 HydrophobicContact CD2-CD2 3.96Å; F330-L338 HydrophobicContact CE2-CD2 3.66Å; F330-A340 HydrophobicContact CE2-CB 4.47Å; F330-Q344 WeakPolarHBondContact CZ-O 3.22Å; F330-P346 HydrophobicContact CB-CG 4.15Å; F330-P346 HydrophobicContact CD1-CG 4.37Å; F330-P346 HydrophobicContact CG-CG 4.11Å; F330-Y349 HydrophobicContact CD1-CD2 4.21Å; F330-Y349 AromaticContact CD1-CE2 3.8Å; F330-Y349 HydrophobicContact CD1-CE2 3.8Å; F330-Y349 HydrophobicContact CE1-CE2 4.04Å
331D93.3Very high91.1Very high16 Ų1645.9 Ų45.99%0.08625%0.251CS..Hα-helixtrans-63.7-39.3174.3-171.756.4000112.4G327 E328 I334 K335 P346 Q440G327-D331 WeakPolarHBondContact O-CB 3.17Å; G327-D331 PolarHBondContact O-N 3.19Å; E328-D331 PolarHBondContact O-N 2.96Å; D331-I334 PolarHBondContact O-N 3.15Å; D331-K335 WeakPolarHBondContact O-CG 3.43Å; D331-K335 PolarHBondContact O-N 2.78Å; D331-K335 VanDerWaalsContact OD2-CE 3.28Å; D331-K335 WeakPolarHBondContact OD2-CE 3.39Å; D331-K335 IonicContact OD2-NZ 2.85Å; D331-K335 PolarHBondContact OD2-NZ 3.29Å; D331-P346 HydrophobicContact CB-CB 4.21Å; D331-P346 HydrophobicContact CB-CG 3.95Å; D331-Q440 PolarHBondContact OD1-NE2 3.49Å
332E92.5Very high90.4Very high85 Ų8549.1 Ų49.140%0.39727%0.267SS..Hα-helixtrans-61.5-45.7172.6-171-174.8172.900111.4E328 L329 F330 I334 K335 L336E328-E332 WeakPolarHBondContact O-CB 3.46Å; E328-E332 PolarHBondContact O-N 3.38Å; L329-E332 PolarHBondContact O-N 2.9Å; F330-E332 PolarHBondContact O-N 3.05Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.38Å; E332-K335 WeakPolarHBondContact O-CB 3.45Å; E332-K335 PolarHBondContact O-N 3.05Å; E332-K335 VanDerWaalsContact O-N 3.12Å; E332-L336 HydrophobicContact CG-CD1 4.25Å; E332-L336 WeakPolarHBondContact O-CG 3.29Å; E332-L336 PolarHBondContact O-N 2.98Å
333A91.8Very high89.7Confident10 Ų1053.6 Ų53.68%0.08330%0.295CS..Hα-helixtrans-59.5-38.717700000112.2F283 L329 F330 L336 G337 L338F283-A333 HydrophobicContact CB-CB 3.83Å; F283-A333 HydrophobicContact CD1-CB 3.77Å; F283-A333 HydrophobicContact CD2-CB 4.46Å; F283-A333 HydrophobicContact CE1-CB 4.44Å; F283-A333 HydrophobicContact CG-CB 3.79Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.27Å; F330-A333 PolarHBondContact O-N 3.14Å; A333-L336 CarbonylContact O-C 3.57Å; A333-L336 PolarHBondContact O-N 3.35Å; A333-G337 PolarHBondContact O-N 3.24Å; A333-L338 HydrophobicContact CB-CB 4.28Å; A333-L338 HydrophobicContact CB-CD2 3.89Å; A333-L338 WeakPolarHBondContact O-CB 3.43Å; A333-L338 PolarHBondContact O-N 3.48Å
334I91.2Very high89.1Confident23 Ų2355.8 Ų55.812%0.11831%0.306CS..Hα-helixtrans-65.6-42.2175.8-66.8157.7000111.1F330 D331 E332 L336 G337 L338 A340 P346F330-I334 HydrophobicContact CD2-CD1 3.79Å; F330-I334 HydrophobicContact CD2-CG1 4.09Å; F330-I334 HydrophobicContact CE2-CD1 3.88Å; F330-I334 HydrophobicContact CE2-CG1 4.13Å; F330-I334 WeakPolarHBondContact O-CD1 3.48Å; F330-I334 VanDerWaalsContact O-CG1 3.28Å; F330-I334 WeakPolarHBondContact O-CG1 3.49Å; F330-I334 PolarHBondContact O-N 3.37Å; D331-I334 PolarHBondContact O-N 3.15Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.38Å; I334-L336 PolarHBondContact O-N 3.44Å; I334-G337 PolarHBondContact O-N 2.93Å; I334-G337 VanDerWaalsContact O-N 3.08Å; I334-L338 WeakPolarHBondContact CA-O 3.31Å; I334-L338 HydrophobicContact CG1-CB 4.45Å; I334-L338 HydrophobicContact CG1-CD2 4.46Å; I334-A340 HydrophobicContact CD1-CB 3.54Å; I334-A340 HydrophobicContact CG1-CB 3.86Å; I334-P346 HydrophobicContact CD1-CG 3.55Å
335K90.3Very high88.7Confident154 Ų15453.9 Ų53.967%0.6730%0.297SS*.Hα-helixtrans-61.5-30.7173.8-71.1165.6177.21570112.1D331 E332 G337D331-K335 WeakPolarHBondContact O-CG 3.43Å; D331-K335 PolarHBondContact O-N 2.78Å; D331-K335 VanDerWaalsContact OD2-CE 3.28Å; D331-K335 WeakPolarHBondContact OD2-CE 3.39Å; D331-K335 IonicContact OD2-NZ 2.85Å; D331-K335 PolarHBondContact OD2-NZ 3.29Å; E332-K335 WeakPolarHBondContact O-CB 3.45Å; E332-K335 PolarHBondContact O-N 3.05Å; E332-K335 VanDerWaalsContact O-N 3.12Å; K335-G337 VanDerWaalsContact C-N 3.29Å; K335-G337 PolarHBondContact O-N 3.32Å
336L87Confident88.7Confident136 Ų13653.7 Ų53.771%0.71230%0.296SS*.THydrogen-bonded Turntrans-83.85.7176.2-65.6173.5000114.2E332 A333 I334E332-L336 HydrophobicContact CG-CD1 4.25Å; E332-L336 WeakPolarHBondContact O-CG 3.29Å; E332-L336 PolarHBondContact O-N 2.98Å; A333-L336 CarbonylContact O-C 3.57Å; A333-L336 PolarHBondContact O-N 3.35Å; I334-L336 PolarHBondContact O-N 3.44Å
337G85.1Confident88.6Confident64 Ų6453.5 Ų53.566%0.6630%0.295SS*.THydrogen-bonded Turntrans111.53.717200000115.7A333 I334 K335A333-G337 PolarHBondContact O-N 3.24Å; I334-G337 PolarHBondContact O-N 2.93Å; I334-G337 VanDerWaalsContact O-N 3.08Å; K335-G337 VanDerWaalsContact C-N 3.29Å; K335-G337 PolarHBondContact O-N 3.32Å
338L87.3Confident88.4Confident18 Ų1857.2 Ų57.29%0.09431%0.311CS..  trans-70.8129.5173.3-17671.7000111.2F283 N286 P288 F330 A333 I334 A340F283-L338 HydrophobicContact CD1-CD2 3.96Å; F283-L338 HydrophobicContact CE1-CD2 4.06Å; N286-L338 WeakPolarHBondContact OD1-CD1 3.46Å; P288-L338 HydrophobicContact CB-CD1 4.2Å; P288-L338 HydrophobicContact CB-CD2 3.98Å; P288-L338 HydrophobicContact CG-CD1 3.94Å; F330-L338 HydrophobicContact CD2-CD2 3.96Å; F330-L338 HydrophobicContact CE2-CD2 3.66Å; A333-L338 HydrophobicContact CB-CB 4.28Å; A333-L338 HydrophobicContact CB-CD2 3.89Å; A333-L338 WeakPolarHBondContact O-CB 3.43Å; A333-L338 PolarHBondContact O-N 3.48Å; I334-L338 WeakPolarHBondContact CA-O 3.31Å; I334-L338 HydrophobicContact CG1-CB 4.45Å; I334-L338 HydrophobicContact CG1-CD2 4.46Å; L338-A340 PolarHBondContact O-N 3.01Å
339T81.9Confident88.5Confident131 Ų13154.6 Ų54.680%0.80430%0.298SS*.  trans-83.6114.317554.70000110.9
340A78.8Confident88.6Confident27 Ų2754.9 Ų54.922%0.22330%0.299CS..  trans-94.6148.4173.100000112.1F330 I334 L338 Y444F330-A340 HydrophobicContact CE2-CB 4.47Å; I334-A340 HydrophobicContact CD1-CB 3.54Å; I334-A340 HydrophobicContact CG1-CB 3.86Å; L338-A340 PolarHBondContact O-N 3.01Å; A340-Y444 HydrophobicContact CB-CE1 3.95Å; A340-Y444 WeakPolarHBondContact CB-OH 3.26Å
341I80.2Confident88.7Confident92 Ų9256.1 Ų56.147%0.47231%0.305SS..BIsolated β-bridgetrans-107.7161.4176.460.2172.6000110.6T343 Q344I341-T343 VanDerWaalsContact CD1-OG1 3.28Å; I341-T343 WeakPolarHBondContact CD1-OG1 3.25Å; I341-T343 PolarHBondContact O-N 2.87Å; I341-T343 VanDerWaalsContact O-N 3.1Å; I341-Q344 HydrophobicContact CD1-CB 4.33Å; I341-Q344 HydrophobicContact CD1-CG 4.13Å; I341-Q344 HydrophobicContact CG1-CB 3.79Å; I341-Q344 HydrophobicContact CG1-CG 4.14Å; I341-Q344 CarbonylContact O-C 3.56Å; I341-Q344 VanDerWaalsContact O-C 3.25Å; I341-Q344 PolarHBondContact O-N 3.24Å
342Q79.5Confident88.8Confident107 Ų10758.8 Ų58.850%0.532%0.316SS..THydrogen-bonded Turntrans-54.8-34.4-176.8-164.8176.512.100113.4N345 K445 C446Q342-N345 PolarHBondContact O-ND2 3.46Å; Q342-K445 PolarHBondContact NE2-O 3.06Å; Q342-C446 WeakPolarHBondContact CG-SG 3.43Å; Q342-C446 PolarHBondContact NE2-SG 3.11Å
343T79.9Confident89Confident103 Ų10354.7 Ų54.763%0.63230%0.297SS*.THydrogen-bonded Turntrans-87.4-10.1-179.554.90000114.5I341 F348I341-T343 VanDerWaalsContact CD1-OG1 3.28Å; I341-T343 WeakPolarHBondContact CD1-OG1 3.25Å; I341-T343 PolarHBondContact O-N 2.87Å; I341-T343 VanDerWaalsContact O-N 3.1Å; T343-F348 WeakPolarHBondContact O-CE2 3.48Å
344Q84Confident89.2Confident68 Ų6854.3 Ų54.332%0.31829%0.294SS..BIsolated β-bridgetrans-137.279.2-178.9-62-178.3100108.7F330 I341F330-Q344 WeakPolarHBondContact CZ-O 3.22Å; I341-Q344 HydrophobicContact CD1-CB 4.33Å; I341-Q344 HydrophobicContact CD1-CG 4.13Å; I341-Q344 HydrophobicContact CG1-CB 3.79Å; I341-Q344 HydrophobicContact CG1-CG 4.14Å; I341-Q344 CarbonylContact O-C 3.56Å; I341-Q344 VanDerWaalsContact O-C 3.25Å; I341-Q344 PolarHBondContact O-N 3.24Å
345N89.1Confident89.4Confident0 Ų054.7 Ų54.70%030%0.298CS..  trans-133.5160.8-178.77578.5000111.5Q342 G347 F348 Y444Q342-N345 PolarHBondContact O-ND2 3.46Å; N345-G347 PolarHBondContact O-N 3.04Å; N345-G347 VanDerWaalsContact O-N 3.16Å; N345-G347 VanDerWaalsContact OD1-CA 3.31Å; N345-G347 WeakPolarHBondContact OD1-CA 3.39Å; N345-G347 PolarHBondContact OD1-N 3.43Å; N345-F348 WeakPolarHBondContact ND2-CE2 3.43Å; N345-F348 PolarHBondContact O-N 2.88Å; N345-Y444 HydrophobicContact CB-CD2 3.55Å; N345-Y444 HydrophobicContact CB-CE1 4.46Å; N345-Y444 HydrophobicContact CB-CE2 3.48Å; N345-Y444 VanDerWaalsContact CB-CE2 3.48Å; N345-Y444 HydrophobicContact CB-CG 4.15Å
346P93.9Very high89.7Confident0 Ų048.4 Ų48.40%027%0.27CS..THydrogen-bonded Turntrans-59.7-25.7-178.2-2635.6000114.8F330 D331 I334 F348 Y349 Y350 Q440F330-P346 HydrophobicContact CB-CG 4.15Å; F330-P346 HydrophobicContact CD1-CG 4.37Å; F330-P346 HydrophobicContact CG-CG 4.11Å; D331-P346 HydrophobicContact CB-CB 4.21Å; D331-P346 HydrophobicContact CB-CG 3.95Å; I334-P346 HydrophobicContact CD1-CG 3.55Å; P346-F348 VanDerWaalsContact C-N 3.27Å; P346-F348 PolarHBondContact O-N 2.85Å; P346-Y349 PolarHBondContact O-N 3.1Å; P346-Y350 HydrophobicContact CB-CD2 4.27Å; P346-Y350 HydrophobicContact CB-CE2 3.84Å; P346-Y350 WeakPolarHBondContact O-CD2 3.25Å; P346-Y350 PolarHBondContact O-N 3.36Å; P346-Y350 VanDerWaalsContact O-N 3.16Å; P346-Q440 HydrophobicContact CB-CG 4.23Å
347G94Very high90.1Very high0 Ų042 Ų420%024%0.237CC..Hα-helixtrans-56.4-36.6-177.400000113.8N345 Y349 Y350 Q351 F441N345-G347 PolarHBondContact O-N 3.04Å; N345-G347 VanDerWaalsContact O-N 3.16Å; N345-G347 VanDerWaalsContact OD1-CA 3.31Å; N345-G347 WeakPolarHBondContact OD1-CA 3.39Å; N345-G347 PolarHBondContact OD1-N 3.43Å; G347-Y349 VanDerWaalsContact C-N 3.3Å; G347-Y349 PolarHBondContact O-N 3.12Å; G347-Y350 PolarHBondContact O-N 2.96Å; G347-Q351 WeakPolarHBondContact O-CB 3.35Å; G347-Q351 PolarHBondContact O-N 2.95Å; G347-F441 VanDerWaalsContact C-CE2 3.48Å
348F93.1Very high90.5Very high78 Ų7840.8 Ų40.834%0.34221%0.214SC..Hα-helixtrans-62.2-37.1175.9-69.9-72.9000112.7T343 N345 P346 Q352 F441T343-F348 WeakPolarHBondContact O-CE2 3.48Å; N345-F348 WeakPolarHBondContact ND2-CE2 3.43Å; N345-F348 PolarHBondContact O-N 2.88Å; P346-F348 VanDerWaalsContact C-N 3.27Å; P346-F348 PolarHBondContact O-N 2.85Å; F348-Q352 WeakPolarHBondContact O-CB 3.31Å; F348-Q352 PolarHBondContact O-N 3.29Å; F348-F441 HydrophobicContact CD1-CE1 4.36Å; F348-F441 AromaticContact CD1-CZ 3.93Å; F348-F441 HydrophobicContact CD1-CZ 3.93Å; F348-F441 HydrophobicContact CD2-CE1 4.43Å; F348-F441 HydrophobicContact CD2-CZ 4.42Å; F348-F441 HydrophobicContact CE1-CE1 4.1Å; F348-F441 HydrophobicContact CE1-CZ 4.08Å; F348-F441 HydrophobicContact CE2-CE1 4.18Å; F348-F441 HydrophobicContact CG-CZ 4.11Å; F348-F441 HydrophobicContact CZ-CE1 4.01Å; F348-F441 HydrophobicContact CZ-CZ 4.4Å
349Y96.1Very high90.8Very high23 Ų2342.9 Ų42.99%0.0923%0.225CC..Hα-helixtrans-76.4-37.4-179.1-59.6-84.5000111.1F295 F323 F326 F330 P346 G347 Q352 A353F295-Y349 HydrophobicContact CD1-CD1 4.23Å; F295-Y349 AromaticContact CD1-CE1 3.84Å; F295-Y349 HydrophobicContact CD1-CE1 3.84Å; F295-Y349 AromaticContact CE1-CD1 3.86Å; F295-Y349 HydrophobicContact CE1-CD1 3.86Å; F295-Y349 AromaticContact CE1-CE1 3.92Å; F295-Y349 HydrophobicContact CE1-CE1 3.92Å; F323-Y349 AromaticContact CD1-CD1 3.86Å; F323-Y349 HydrophobicContact CD1-CD1 3.86Å; F323-Y349 HydrophobicContact CE1-CD1 4.13Å; F326-Y349 AromaticContact CD1-CD1 3.45Å; F326-Y349 HydrophobicContact CD1-CD1 3.45Å; F326-Y349 VanDerWaalsContact CD1-CD1 3.45Å; F326-Y349 HydrophobicContact CD1-CD2 4.03Å; F326-Y349 AromaticContact CD1-CE1 3.46Å; F326-Y349 HydrophobicContact CD1-CE1 3.46Å; F326-Y349 VanDerWaalsContact CD1-CE1 3.46Å; F326-Y349 HydrophobicContact CD1-CE2 4.05Å; F326-Y349 AromaticContact CD1-CG 3.75Å; F326-Y349 HydrophobicContact CD1-CG 3.75Å; F326-Y349 AromaticContact CD1-CZ 3.77Å; F326-Y349 AromaticContact CE1-CD1 3.94Å; F326-Y349 HydrophobicContact CE1-CD1 3.94Å; F326-Y349 HydrophobicContact CE1-CD2 4.14Å; F326-Y349 AromaticContact CE1-CE1 3.46Å; F326-Y349 HydrophobicContact CE1-CE1 3.46Å; F326-Y349 VanDerWaalsContact CE1-CE1 3.46Å; F326-Y349 AromaticContact CE1-CE2 3.7Å; F326-Y349 HydrophobicContact CE1-CE2 3.7Å; F326-Y349 HydrophobicContact CE1-CG 4.26Å; F326-Y349 AromaticContact CE1-CZ 3.32Å; F326-Y349 HydrophobicContact CG-CD1 4.45Å; F330-Y349 HydrophobicContact CD1-CD2 4.21Å; F330-Y349 AromaticContact CD1-CE2 3.8Å; F330-Y349 HydrophobicContact CD1-CE2 3.8Å; F330-Y349 HydrophobicContact CE1-CE2 4.04Å; P346-Y349 PolarHBondContact O-N 3.1Å; G347-Y349 VanDerWaalsContact C-N 3.3Å; G347-Y349 PolarHBondContact O-N 3.12Å; Y349-Q352 PolarHBondContact O-N 3.05Å; Y349-A353 WeakPolarHBondContact O-CB 3.38Å; Y349-A353 PolarHBondContact O-N 3.09Å
350Y97.2Very high91.4Very high12 Ų1238 Ų385%0.04719%0.193CC..Hα-helixtrans-64.9-40.3171.5-66.5-54.9000112.5Q324 G327 E328 P346 G347 A353 A354 N436 Q440Q324-Y350 HydrophobicContact CG-CE1 4.4Å; G327-Y350 PolarHBondContact O-OH 3.03Å; E328-Y350 WeakPolarHBondContact CA-OH 3.25Å; E328-Y350 HydrophobicContact CG-CE1 4.13Å; E328-Y350 WeakPolarHBondContact CG-OH 3.22Å; E328-Y350 PolarHBondContact N-OH 3.24Å; P346-Y350 HydrophobicContact CB-CD2 4.27Å; P346-Y350 HydrophobicContact CB-CE2 3.84Å; P346-Y350 WeakPolarHBondContact O-CD2 3.25Å; P346-Y350 PolarHBondContact O-N 3.36Å; P346-Y350 VanDerWaalsContact O-N 3.16Å; G347-Y350 PolarHBondContact O-N 2.96Å; Y350-A353 WeakPolarHBondContact O-CB 3.44Å; Y350-A353 PolarHBondContact O-N 3.48Å; Y350-A354 PolarHBondContact O-N 2.89Å; Y350-N436 HydrophobicContact CD1-CB 4.07Å; Y350-N436 HydrophobicContact CD2-CB 4.06Å; Y350-N436 HydrophobicContact CE1-CB 4.37Å; Y350-N436 HydrophobicContact CE2-CB 4.36Å; Y350-N436 HydrophobicContact CG-CB 3.91Å; Y350-Q440 HydrophobicContact CD2-CG 4.14Å; Y350-Q440 HydrophobicContact CE2-CG 4.14Å
351Q95.8Very high92.1Very high32 Ų3238.2 Ų38.215%0.1519%0.188CC..Hα-helixtrans-59-50.2172.8176-176.12000111G347 A353 A354 C355 A437 L453G347-Q351 WeakPolarHBondContact O-CB 3.35Å; G347-Q351 PolarHBondContact O-N 2.95Å; Q351-A353 VanDerWaalsContact C-N 3.28Å; Q351-A353 PolarHBondContact O-N 3.07Å; Q351-A354 WeakPolarHBondContact O-CA 3.49Å; Q351-A354 WeakPolarHBondContact O-CB 3.43Å; Q351-A354 PolarHBondContact O-N 3.47Å; Q351-C355 PolarHBondContact O-N 2.77Å; Q351-C355 PolarHBondContact O-SG 2.85Å; Q351-C355 VanDerWaalsContact O-SG 3.38Å; Q351-A437 HydrophobicContact CB-CB 4.41Å; Q351-L453 HydrophobicContact CB-CD2 4.3Å; Q351-L453 HydrophobicContact CG-CD2 3.82Å
352Q96Very high92.6Very high71 Ų7139.3 Ų39.333%0.33219%0.192SC..Hα-helixtrans-65.5-33.8-179.9-168.661.241.100112.2F323 F348 Y349 A354 C355 Y356F323-Q352 HydrophobicContact CD1-CB 3.66Å; F323-Q352 HydrophobicContact CD1-CG 3.73Å; F323-Q352 HydrophobicContact CD2-CG 4Å; F323-Q352 HydrophobicContact CE1-CB 3.78Å; F323-Q352 HydrophobicContact CE1-CG 3.45Å; F323-Q352 VanDerWaalsContact CE1-CG 3.45Å; F323-Q352 HydrophobicContact CE2-CG 3.75Å; F323-Q352 HydrophobicContact CG-CB 4.1Å; F323-Q352 HydrophobicContact CG-CG 4Å; F323-Q352 HydrophobicContact CZ-CB 4.31Å; F323-Q352 HydrophobicContact CZ-CG 3.48Å; F323-Q352 VanDerWaalsContact CZ-CG 3.48Å; F348-Q352 WeakPolarHBondContact O-CB 3.31Å; F348-Q352 PolarHBondContact O-N 3.29Å; Y349-Q352 PolarHBondContact O-N 3.05Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-C355 PolarHBondContact O-N 3.31Å; Q352-Y356 HydrophobicContact CG-CD2 4.08Å; Q352-Y356 HydrophobicContact CG-CE2 3.91Å; Q352-Y356 VanDerWaalsContact NE2-CE2 3.29Å; Q352-Y356 VanDerWaalsContact O-CD2 3.3Å; Q352-Y356 WeakPolarHBondContact O-CD2 3.49Å; Q352-Y356 PolarHBondContact O-N 3.06Å; Q352-Y356 VanDerWaalsContact O-N 3.08Å
353A96.7Very high93.2Very high0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-61.5-41.8170.900000111.8S320 F323 Q324 Y349 Y350 Q351 Y356 S357 L433S320-A353 WeakPolarHBondContact CB-O 3.38Å; S320-A353 VanDerWaalsContact O-CB 3.31Å; S320-A353 WeakPolarHBondContact O-CB 3.48Å; S320-A353 PolarHBondContact OG-O 2.89Å; F323-A353 HydrophobicContact CB-CB 3.75Å; Q324-A353 HydrophobicContact CB-CB 4.18Å; Y349-A353 WeakPolarHBondContact O-CB 3.38Å; Y349-A353 PolarHBondContact O-N 3.09Å; Y350-A353 WeakPolarHBondContact O-CB 3.44Å; Y350-A353 PolarHBondContact O-N 3.48Å; Q351-A353 VanDerWaalsContact C-N 3.28Å; Q351-A353 PolarHBondContact O-N 3.07Å; A353-Y356 PolarHBondContact O-N 3.48Å; A353-S357 PolarHBondContact O-N 3.47Å; A353-L433 HydrophobicContact CB-CD1 4.12Å; A353-L433 HydrophobicContact CB-CD2 4.02Å
354A96.6Very high93.6Very high1 Ų132.5 Ų32.51%0.00816%0.155CC..Hα-helixtrans-62.7-44.3175.200000111.4Y350 Q351 Q352 Y356 S357 Q358 I430 L433 L434Y350-A354 PolarHBondContact O-N 2.89Å; Q351-A354 WeakPolarHBondContact O-CA 3.49Å; Q351-A354 WeakPolarHBondContact O-CB 3.43Å; Q351-A354 PolarHBondContact O-N 3.47Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; A354-Y356 PolarHBondContact O-N 2.84Å; A354-S357 CarbonylContact O-C 3.56Å; A354-S357 WeakPolarHBondContact O-CA 3.42Å; A354-S357 WeakPolarHBondContact O-CB 3.3Å; A354-S357 PolarHBondContact O-N 2.94Å; A354-Q358 PolarHBondContact O-N 3.29Å; A354-I430 HydrophobicContact CB-CG2 4.41Å; A354-L433 HydrophobicContact CB-CB 3.85Å; A354-L434 HydrophobicContact CB-CD2 3.63Å; A354-L434 HydrophobicContact CB-CG 3.83Å
355C96.1Very high93.8Very high31 Ų3136 Ų3621%0.20917%0.171CC..Hα-helixtrans-57.1-47.4175.6-63.50000112.1Q351 Q352 S357 Q358 D359Q351-C355 PolarHBondContact O-N 2.77Å; Q351-C355 PolarHBondContact O-SG 2.85Å; Q351-C355 VanDerWaalsContact O-SG 3.38Å; Q352-C355 PolarHBondContact O-N 3.31Å; C355-S357 PolarHBondContact O-N 3.07Å; C355-Q358 WeakPolarHBondContact O-CB 3.44Å; C355-Q358 PolarHBondContact O-N 2.89Å; C355-Q358 VanDerWaalsContact O-N 3.11Å; C355-D359 PolarHBondContact O-N 3.49Å
356Y95.8Very high93.7Very high22 Ų2242.5 Ų42.59%0.08620%0.201CC..Hα-helixtrans-66.3-26.4175.6-80.9-65.6000113.2S316 M319 F323 Q352 A353 A354 R360S316-Y356 WeakPolarHBondContact CB-O 3.47Å; M319-Y356 HydrophobicContact CB-CD1 3.76Å; M319-Y356 HydrophobicContact CB-CD2 4.01Å; M319-Y356 HydrophobicContact CB-CE1 4.06Å; M319-Y356 HydrophobicContact CB-CE2 4.31Å; M319-Y356 HydrophobicContact CB-CG 3.74Å; M319-Y356 HydrophobicContact CE-CE1 4.22Å; M319-Y356 HydrophobicContact CE-CE2 3.87Å; M319-Y356 HydrophobicContact CG-CD1 4.38Å; M319-Y356 HydrophobicContact CG-CE1 4.26Å; F323-Y356 AromaticContact CD2-CD2 3.83Å; F323-Y356 HydrophobicContact CD2-CD2 3.83Å; F323-Y356 AromaticContact CD2-CE2 3.84Å; F323-Y356 HydrophobicContact CD2-CE2 3.84Å; F323-Y356 AromaticContact CE2-CD2 3.95Å; F323-Y356 HydrophobicContact CE2-CD2 3.95Å; F323-Y356 AromaticContact CE2-CE2 3.45Å; F323-Y356 HydrophobicContact CE2-CE2 3.45Å; F323-Y356 VanDerWaalsContact CE2-CE2 3.45Å; F323-Y356 HydrophobicContact CZ-CE2 4.32Å; Q352-Y356 HydrophobicContact CG-CD2 4.08Å; Q352-Y356 HydrophobicContact CG-CE2 3.91Å; Q352-Y356 VanDerWaalsContact NE2-CE2 3.29Å; Q352-Y356 VanDerWaalsContact O-CD2 3.3Å; Q352-Y356 WeakPolarHBondContact O-CD2 3.49Å; Q352-Y356 PolarHBondContact O-N 3.06Å; Q352-Y356 VanDerWaalsContact O-N 3.08Å; A353-Y356 PolarHBondContact O-N 3.48Å; A354-Y356 PolarHBondContact O-N 2.84Å; Y356-R360 WeakPolarHBondContact O-CB 3.47Å; Y356-R360 PolarHBondContact O-N 2.74Å
357S95Very high93.1Very high2 Ų245.4 Ų45.41%0.01421%0.214CC..Hα-helixtrans-74.6-30.1172.9-166.10000112.1A353 A354 C355 R360 K361 I430A353-S357 PolarHBondContact O-N 3.47Å; A354-S357 CarbonylContact O-C 3.56Å; A354-S357 WeakPolarHBondContact O-CA 3.42Å; A354-S357 WeakPolarHBondContact O-CB 3.3Å; A354-S357 PolarHBondContact O-N 2.94Å; C355-S357 PolarHBondContact O-N 3.07Å; S357-R360 WeakPolarHBondContact O-CB 3.49Å; S357-R360 PolarHBondContact O-N 2.77Å; S357-K361 PolarHBondContact O-N 2.69Å; S357-K361 VanDerWaalsContact O-N 3.09Å; S357-I430 WeakPolarHBondContact OG-CG1 3.45Å
358Q94.5Very high92.6Very high39 Ų3946.2 Ų46.218%0.18222%0.22CC..Hα-helixtrans-67.4-44.7168.7-70.3173.8-33.500110.9A354 C355 R360 K361 Q362 I430 E460A354-Q358 PolarHBondContact O-N 3.29Å; C355-Q358 WeakPolarHBondContact O-CB 3.44Å; C355-Q358 PolarHBondContact O-N 2.89Å; C355-Q358 VanDerWaalsContact O-N 3.11Å; Q358-R360 VanDerWaalsContact C-N 3.28Å; Q358-R360 PolarHBondContact O-N 3.46Å; Q358-K361 WeakPolarHBondContact O-CB 3.34Å; Q358-K361 PolarHBondContact O-N 2.79Å; Q358-K361 VanDerWaalsContact O-N 3.12Å; Q358-Q362 WeakPolarHBondContact O-CG 3.26Å; Q358-Q362 PolarHBondContact O-N 3.49Å; Q358-I430 HydrophobicContact CB-CD1 4.45Å; Q358-I430 HydrophobicContact CG-CD1 3.76Å; Q358-I430 HydrophobicContact CG-CG1 4.12Å; Q358-I430 HydrophobicContact CG-CG2 3.88Å; Q358-E460 PolarHBondContact NE2-OE1 3.17Å
359D93.9Very high91.5Very high61 Ų6149.7 Ų49.733%0.32624%0.237SC..Hα-helixtrans-58.4-41.5173.1-65-17.2000111C355 K361 Q362 M363C355-D359 PolarHBondContact O-N 3.49Å; D359-K361 PolarHBondContact O-N 2.87Å; D359-Q362 PolarHBondContact O-N 2.62Å; D359-M363 WeakPolarHBondContact O-CB 3.33Å; D359-M363 WeakPolarHBondContact O-CG 3.25Å; D359-M363 PolarHBondContact O-N 2.86Å
360R93.9Very high90Very high30 Ų3055.3 Ų55.311%0.11327%0.273CS..Hα-helixtrans-57.7-46.1174.8179.7-172.3-178.6-177.5-2.7111.5F313 A317 Y356 S357 Q358 M363 A364 E421F313-R360 HydrophobicContact CB-CG 4.33Å; A317-R360 HydrophobicContact CB-CG 4.35Å; Y356-R360 WeakPolarHBondContact O-CB 3.47Å; Y356-R360 PolarHBondContact O-N 2.74Å; S357-R360 WeakPolarHBondContact O-CB 3.49Å; S357-R360 PolarHBondContact O-N 2.77Å; Q358-R360 VanDerWaalsContact C-N 3.28Å; Q358-R360 PolarHBondContact O-N 3.46Å; R360-M363 PolarHBondContact O-N 2.9Å; R360-A364 WeakPolarHBondContact O-CB 3.5Å; R360-A364 PolarHBondContact O-N 2.73Å; R360-E421 WeakPolarHBondContact CG-OE1 3.5Å; R360-E421 IonicContact CZ-OE1 2.62Å; R360-E421 VanDerWaalsContact CZ-OE1 3.3Å; R360-E421 IonicContact CZ-OE2 2.7Å; R360-E421 IonicContact NE-OE1 3.72Å; R360-E421 PolarHBondContact NE-OE1 2.96Å; R360-E421 IonicContact NE-OE2 3.47Å; R360-E421 IonicContact NH2-OE1 2.68Å; R360-E421 PolarHBondContact NH2-OE1 2.89Å; R360-E421 VanDerWaalsContact NH2-OE1 3.16Å; R360-E421 IonicContact NH2-OE2 3.45Å; R360-E421 PolarHBondContact NH2-OE2 3.14Å
361K92.7Very high88.4Confident30 Ų3058 Ų5813%0.1331%0.305CS..Hα-helixtrans-59.8-46.5177.4-179.1177.5165.7179.60111.5S357 Q358 D359 A364 Q365 H426 S427 I430 E460S357-K361 PolarHBondContact O-N 2.69Å; S357-K361 VanDerWaalsContact O-N 3.09Å; Q358-K361 WeakPolarHBondContact O-CB 3.34Å; Q358-K361 PolarHBondContact O-N 2.79Å; Q358-K361 VanDerWaalsContact O-N 3.12Å; D359-K361 PolarHBondContact O-N 2.87Å; K361-A364 PolarHBondContact O-N 2.86Å; K361-Q365 WeakPolarHBondContact O-CG 3.29Å; K361-Q365 PolarHBondContact O-N 2.93Å; K361-H426 HydrophobicContact CB-CB 3.83Å; K361-H426 HydrophobicContact CD-CB 4Å; K361-H426 HydrophobicContact CG-CB 3.85Å; K361-S427 PolarHBondContact NZ-OG 3.1Å; K361-I430 HydrophobicContact CB-CD1 4.4Å; K361-I430 HydrophobicContact CD-CD1 3.96Å; K361-E460 IonicContact NZ-OE2 2.71Å; K361-E460 PolarHBondContact NZ-OE2 3.18Å
362Q91.9Very high87.4Confident116 Ų11659 Ų5954%0.54231%0.313SS..Hα-helixtrans-63.1-44.9178.1-67.6175.57.500112Q358 D359 Q365 Q366Q358-Q362 WeakPolarHBondContact O-CG 3.26Å; Q358-Q362 PolarHBondContact O-N 3.49Å; D359-Q362 PolarHBondContact O-N 2.62Å; Q362-Q365 PolarHBondContact O-N 2.9Å; Q362-Q366 PolarHBondContact O-N 2.79Å; Q362-Q366 VanDerWaalsContact O-N 3.09Å
363M90.6Very high86.8Confident59 Ų5961.4 Ų61.429%0.29133%0.333SS..Hα-helixtrans-65.5-39.4177.6-65.5-69.316900111.7A312 F313 D359 R360 Q365 Q366 F367A312-M363 HydrophobicContact CB-SD 4.24Å; F313-M363 HydrophobicContact CB-CB 3.9Å; D359-M363 WeakPolarHBondContact O-CB 3.33Å; D359-M363 WeakPolarHBondContact O-CG 3.25Å; D359-M363 PolarHBondContact O-N 2.86Å; R360-M363 PolarHBondContact O-N 2.9Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.76Å; M363-Q366 PolarHBondContact O-N 2.78Å; M363-F367 HydrophobicContact CB-CD2 4.46Å; M363-F367 VanDerWaalsContact O-CD2 3.27Å; M363-F367 WeakPolarHBondContact O-CD2 3.24Å; M363-F367 PolarHBondContact O-N 2.85Å; M363-F367 HydrophobicContact SD-CE2 3.92Å
364A89.9Confident86.2Confident8 Ų865.4 Ų65.47%0.06635%0.349CS..Hα-helixtrans-61.2-42.9175.500000111.2R360 K361 Q366 C368 E421R360-A364 WeakPolarHBondContact O-CB 3.5Å; R360-A364 PolarHBondContact O-N 2.73Å; K361-A364 PolarHBondContact O-N 2.86Å; A364-Q366 VanDerWaalsContact C-N 3.29Å; A364-Q366 PolarHBondContact O-N 2.9Å; A364-C368 WeakPolarHBondContact O-CB 3.36Å; A364-C368 PolarHBondContact O-N 2.8Å; A364-C368 PolarHBondContact O-SG 2.8Å; A364-E421 HydrophobicContact CB-CG 3.85Å
365Q87Confident85.7Confident142 Ų14266 Ų6666%0.66435%0.352SS*.Hα-helixtrans-63.3-33.3175.3-71.2172.2-15.900113K361 Q362 M363K361-Q365 WeakPolarHBondContact O-CG 3.29Å; K361-Q365 PolarHBondContact O-N 2.93Å; Q362-Q365 PolarHBondContact O-N 2.9Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.76Å
366Q86.6Confident85Confident136 Ų13670.2 Ų70.264%0.63638%0.382SS*.Hα-helixtrans-75.9-40.8179.6-173.8176.2600113.1Q362 M363 A364Q362-Q366 PolarHBondContact O-N 2.79Å; Q362-Q366 VanDerWaalsContact O-N 3.09Å; M363-Q366 PolarHBondContact O-N 2.78Å; A364-Q366 VanDerWaalsContact C-N 3.29Å; A364-Q366 PolarHBondContact O-N 2.9Å
367F82.9Confident84.4Confident61 Ų6174.7 Ų74.727%0.26841%0.414SS..Hα-helixtrans-104.2-22.7-170-65.8-68.5000114.6A312 M363 Q369A312-F367 HydrophobicContact CB-CE2 4.31Å; M363-F367 HydrophobicContact CB-CD2 4.46Å; M363-F367 VanDerWaalsContact O-CD2 3.27Å; M363-F367 WeakPolarHBondContact O-CD2 3.24Å; M363-F367 PolarHBondContact O-N 2.85Å; M363-F367 HydrophobicContact SD-CE2 3.92Å; F367-Q369 PolarHBondContact O-N 2.57Å
368C81.8Confident83.9Confident17 Ų1777.4 Ų77.412%0.11543%0.428CS..SBendtrans-88.895.5-178.9-52.50000109.9A364 Q418A364-C368 WeakPolarHBondContact O-CB 3.36Å; A364-C368 PolarHBondContact O-N 2.8Å; A364-C368 PolarHBondContact O-SG 2.8Å; C368-Q418 PolarHBondContact SG-O 3.45Å; C368-Q418 VanDerWaalsContact SG-O 3.34Å
369Q70.5Confident83.3Confident151 Ų15176.7 Ų76.771%0.70643%0.427SS*.  trans-68.5143.8-178.2-64.3-179.76.600112.8F367F367-Q369 PolarHBondContact O-N 2.57Å
370V64.3Low82.9Confident140 Ų14075 Ų7585%0.84842%0.417SS*.THydrogen-bonded Turntrans-85.4127.4176.7-174.90000109.4
371G64.9Low82.3Confident69 Ų6979.3 Ų79.371%0.71144%0.443SS*.THydrogen-bonded Turntrans110.2-0.6173.600000116.6
372T75Confident81.4Confident53 Ų5378.9 Ų78.933%0.32544%0.443SS..PPolyproline II helixtrans-86.3136.2-179.6-32.60000112.4L415T372-L415 HydrophobicContact CG2-CD1 3.76Å; T372-L415 HydrophobicContact CG2-CD2 3.97Å; T372-L415 HydrophobicContact CG2-CG 4.45Å
373T81.6Confident80.1Confident122 Ų12283.5 Ų83.575%0.74847%0.465SS*.PPolyproline II helixtrans-79.4143.217843.40000112.5
374Y85.4Confident78.7Confident84 Ų8484.6 Ų84.633%0.32948%0.478SS..PPolyproline II helixtrans-64.9135.4177.9-165.3-93000111.5D378 A416 I419 K420Y374-D378 HydrophobicContact CE1-CB 4.05Å; Y374-D378 PolarHBondContact OH-OD1 3.24Å; Y374-D378 PolarHBondContact OH-OD2 2.97Å; Y374-A416 HydrophobicContact CE2-CB 4.03Å; Y374-I419 HydrophobicContact CD2-CB 4.15Å; Y374-I419 HydrophobicContact CD2-CD1 4.25Å; Y374-I419 HydrophobicContact CD2-CG2 3.86Å; Y374-K420 HydrophobicContact CE2-CG 4.31Å; Y374-K420 VanDerWaalsContact OH-CE 3.28Å; Y374-K420 WeakPolarHBondContact OH-CE 3.44Å; Y374-K420 PolarHBondContact OH-NZ 3.33Å
375P85Confident77.6Confident13 Ų1387.8 Ų87.88%0.08451%0.512CS..PPolyproline II helixtrans-60.7139.2178.2-24.334.6000113.4P379 L412 L415 A416P375-P379 HydrophobicContact CB-CG 4.21Å; P375-P379 HydrophobicContact CG-CG 4.47Å; P375-L412 HydrophobicContact CB-CB 4.48Å; P375-L412 HydrophobicContact CB-CD2 4.14Å; P375-L412 HydrophobicContact CG-CD2 4.36Å; P375-L415 HydrophobicContact CG-CD2 4.2Å; P375-L415 HydrophobicContact CG-CG 4.33Å; P375-A416 HydrophobicContact CG-CB 4.2Å
376S82.4Confident77.1Confident120 Ų12082.5 Ų82.584%0.83950%0.495SS*.SBendtrans-130.1126.2173.5177.80000110.2
377P82.4Confident77.1Confident116 Ų11678.5 Ų78.575%0.75348%0.478SS*.SBendcis-68.91581.330-35.6000113.2P379P377-P379 WeakPolarHBondContact O-CD 3.16Å; P377-P379 VanDerWaalsContact O-N 3.15Å
378D84.4Confident77.3Confident59 Ų5978.9 Ų78.932%0.31648%0.483SS..  trans-62.6112.1-177.8-1761.4000110.9Y374 L380 D381 K420Y374-D378 HydrophobicContact CE1-CB 4.05Å; Y374-D378 PolarHBondContact OH-OD1 3.24Å; Y374-D378 PolarHBondContact OH-OD2 2.97Å; D378-L380 PolarHBondContact O-N 3.43Å; D378-L380 VanDerWaalsContact O-N 3.16Å; D378-L380 VanDerWaalsContact OD1-CB 3.31Å; D378-L380 WeakPolarHBondContact OD1-CB 3.47Å; D378-L380 PolarHBondContact OD1-N 3.44Å; D378-D381 HydrophobicContact CB-CB 4.11Å; D378-D381 PolarHBondContact O-N 3.18Å; D378-K420 IonicContact OD2-NZ 3.96Å
379P83.4Confident77.7Confident24 Ų2478.5 Ų78.516%0.15648%0.479CS..THydrogen-bonded Turntrans-70.3-9.2-179.830.7-36.3000113P375 P377 L412 A416P375-P379 HydrophobicContact CB-CG 4.21Å; P375-P379 HydrophobicContact CG-CG 4.47Å; P377-P379 WeakPolarHBondContact O-CD 3.16Å; P377-P379 VanDerWaalsContact O-N 3.15Å; P379-L412 HydrophobicContact CG-CB 4.41Å; P379-A416 HydrophobicContact CG-CB 3.63Å
380L84.3Confident78.7Confident24 Ų2472.5 Ų72.513%0.12645%0.45CS..THydrogen-bonded Turntrans-93.6-13.2177.2-54-178000112.8D378 P394 W395 A416 L417 K420D378-L380 PolarHBondContact O-N 3.43Å; D378-L380 VanDerWaalsContact O-N 3.16Å; D378-L380 VanDerWaalsContact OD1-CB 3.31Å; D378-L380 WeakPolarHBondContact OD1-CB 3.47Å; D378-L380 PolarHBondContact OD1-N 3.44Å; L380-P394 HydrophobicContact CD2-CG 4.33Å; L380-W395 HydrophobicContact CD2-CE3 3.81Å; L380-W395 HydrophobicContact CD2-CZ3 3.44Å; L380-W395 VanDerWaalsContact CD2-CZ3 3.44Å; L380-A416 HydrophobicContact CD1-CB 3.83Å; L380-A416 HydrophobicContact CD2-CB 4.4Å; L380-A416 HydrophobicContact CG-CB 3.88Å; L380-L417 HydrophobicContact CD1-CD2 3.96Å; L380-L417 HydrophobicContact CD1-CG 4.5Å; L380-L417 HydrophobicContact CD2-CD2 4.03Å; L380-L417 HydrophobicContact CD2-CG 4.18Å; L380-K420 HydrophobicContact CD1-CD 3.57Å; L380-K420 HydrophobicContact CD1-CG 4.47Å; L380-K420 VanDerWaalsContact CD1-NZ 3.3Å
381D81.5Confident79.8Confident122 Ų12266.3 Ų66.365%0.65242%0.415SS*.  trans-75.9136.9177.4-168.116.6000110.7D378D378-D381 HydrophobicContact CB-CB 4.11Å; D378-D381 PolarHBondContact O-N 3.18Å
382T74.1Confident80.9Confident20 Ų2063.7 Ų63.712%0.12338%0.384CS..  trans-115.1124.6-176.461.30000108.6S384 G385 G386 L387 P394T382-S384 PolarHBondContact O-N 3.15Å; T382-G385 PolarHBondContact O-N 3.1Å; T382-G386 PolarHBondContact OG1-N 3.48Å; T382-L387 HydrophobicContact CG2-CD2 4.35Å; T382-P394 HydrophobicContact CG2-CB 3.88Å
383Q64.6Low81.5Confident214 Ų21462.4 Ų62.4100%137%0.374SS*.THydrogen-bonded Turntrans-54.9-20.3-176.3-65.5178.3-6.900114.3
384S61Low81.8Confident82 Ų8258.1 Ų58.157%0.57335%0.348SS*.THydrogen-bonded Turntrans-105.64.4-177.753.20000114.4T382 G386T382-S384 PolarHBondContact O-N 3.15Å; S384-G386 VanDerWaalsContact C-N 3.26Å; S384-G386 PolarHBondContact O-N 3.4Å; S384-G386 PolarHBondContact OG-O 3.47Å
385G66.6Low81.8Confident75 Ų7555.7 Ų55.777%0.77334%0.338SS*.SBendtrans70.712.8-178.600000115.1T382T382-G385 PolarHBondContact O-N 3.1Å
386G77.1Confident81.7Confident31 Ų3156.6 Ų56.632%0.3234%0.34SS..SBendtrans-171.5169.817700000114.2T382 S384 Q397T382-G386 PolarHBondContact OG1-N 3.48Å; S384-G386 VanDerWaalsContact C-N 3.26Å; S384-G386 PolarHBondContact O-N 3.4Å; S384-G386 PolarHBondContact OG-O 3.47Å; G386-Q397 PolarHBondContact O-NE2 3.23Å; G386-Q397 VanDerWaalsContact O-NE2 3.08Å
387L86.2Confident81.7Confident51 Ų5152.9 Ų52.927%0.26731%0.309SS..  trans-78.1143.6175.7-63.7176000111.7T83 T382 Q392 P394T83-L387 WeakPolarHBondContact CB-O 3.35Å; T83-L387 HydrophobicContact CG2-CB 4.13Å; T83-L387 WeakPolarHBondContact CG2-O 3.49Å; T83-L387 PolarHBondContact OG1-O 3.42Å; T382-L387 HydrophobicContact CG2-CD2 4.35Å; L387-Q392 WeakPolarHBondContact CD1-O 3.31Å; L387-Q392 WeakPolarHBondContact CD2-O 3.34Å; L387-P394 HydrophobicContact CD2-CB 4.45Å; L387-P394 HydrophobicContact CD2-CG 4.11Å
388D86.9Confident81.3Confident70 Ų7049.1 Ų49.137%0.37429%0.291SS..SBendtrans-67.1-41.8172.5-90.8-21.7000112.3K82 T83K82-D388 VanDerWaalsContact CA-O 3.3Å; K82-D388 WeakPolarHBondContact CA-O 3.44Å; T83-D388 PolarHBondContact N-O 2.94Å
389F90.1Very high80.9Confident8 Ų851.5 Ų51.54%0.03530%0.3CS..BIsolated β-bridgetrans-131148.1-178.8-61.5-87.4000111.1K78 V81 K82 G391 Q392K78-F389 HydrophobicContact CB-CE2 4.02Å; K78-F389 HydrophobicContact CB-CZ 4.34Å; V81-F389 WeakPolarHBondContact O-CA 3.2Å; K82-F389 HydrophobicContact CD-CE1 4.47Å; K82-F389 HydrophobicContact CG-CD1 3.92Å; K82-F389 HydrophobicContact CG-CE1 3.49Å; K82-F389 VanDerWaalsContact CG-CE1 3.49Å; K82-F389 HydrophobicContact CG-CZ 4.08Å; F389-G391 PolarHBondContact O-N 3.49Å; F389-Q392 HydrophobicContact CB-CB 4.3Å; F389-Q392 PolarHBondContact O-N 3.15Å
390Y90.6Very high80.2Confident25 Ų2552.9 Ų52.910%0.09831%0.305CS..THydrogen-bonded Turntrans-65128.7178.9-71.5-71.1000111.8P9 V81 T83 M86 E266 M270 F273 Q392P9-Y390 HydrophobicContact CB-CE1 4.25Å; P9-Y390 HydrophobicContact CG-CD1 4.19Å; P9-Y390 HydrophobicContact CG-CE1 3.49Å; P9-Y390 VanDerWaalsContact CG-CE1 3.49Å; V81-Y390 HydrophobicContact CB-CD2 4.29Å; V81-Y390 HydrophobicContact CG1-CD2 3.99Å; V81-Y390 HydrophobicContact CG1-CE2 4.08Å; V81-Y390 PolarHBondContact O-N 3.39Å; V81-Y390 VanDerWaalsContact O-N 3.16Å; T83-Y390 VanDerWaalsContact CA-CE2 3.47Å; T83-Y390 VanDerWaalsContact CA-CZ 3.5Å; T83-Y390 HydrophobicContact CG2-CD1 3.89Å; T83-Y390 HydrophobicContact CG2-CD2 4.38Å; T83-Y390 HydrophobicContact CG2-CE1 3.94Å; T83-Y390 HydrophobicContact CG2-CE2 4.42Å; T83-Y390 HydrophobicContact CG2-CG 4.12Å; T83-Y390 PolarHBondContact O-OH 2.85Å; M86-Y390 HydrophobicContact CE-CE2 3.69Å; M86-Y390 WeakPolarHBondContact CE-OH 3.4Å; E266-Y390 WeakPolarHBondContact CG-O 3.47Å; M270-Y390 HydrophobicContact SD-CD2 4.38Å; F273-Y390 HydrophobicContact CD2-CG 4.45Å; F273-Y390 AromaticContact CE2-CD1 3.52Å; F273-Y390 HydrophobicContact CE2-CD1 3.52Å; F273-Y390 HydrophobicContact CE2-CD2 4.1Å; F273-Y390 AromaticContact CE2-CE1 3.96Å; F273-Y390 HydrophobicContact CE2-CE1 3.96Å; F273-Y390 HydrophobicContact CE2-CE2 4.5Å; F273-Y390 AromaticContact CE2-CG 3.59Å; F273-Y390 HydrophobicContact CE2-CG 3.59Å; F273-Y390 AromaticContact CZ-CD1 3.97Å; F273-Y390 HydrophobicContact CZ-CD1 3.97Å; F273-Y390 HydrophobicContact CZ-CE1 4.43Å; F273-Y390 HydrophobicContact CZ-CG 4.39Å; Y390-Q392 VanDerWaalsContact C-N 3.26Å; Y390-Q392 PolarHBondContact O-N 3.49Å
391G88.1Confident79.4Confident11 Ų1152.6 Ų52.611%0.11331%0.305CS..THydrogen-bonded Turntrans74.110.417900000115L265 E266 F389L265-G391 CarbonylContact C-O 3.58Å; L265-G391 WeakPolarHBondContact CB-O 3.39Å; L265-G391 WeakPolarHBondContact CD2-O 3.36Å; L265-G391 VanDerWaalsContact CG-O 3.25Å; L265-G391 WeakPolarHBondContact CG-O 3.42Å; E266-G391 WeakPolarHBondContact CA-O 3.4Å; E266-G391 PolarHBondContact N-O 2.82Å; E266-G391 VanDerWaalsContact N-O 3.11Å; F389-G391 PolarHBondContact O-N 3.49Å
392Q88.3Confident78.7Confident14 Ų1453.3 Ų53.37%0.06531%0.307CS..  trans-76.7142.1168.9-171.1176.22300110.4L387 F389 Y390 R396L387-Q392 WeakPolarHBondContact CD1-O 3.31Å; L387-Q392 WeakPolarHBondContact CD2-O 3.34Å; F389-Q392 HydrophobicContact CB-CB 4.3Å; F389-Q392 PolarHBondContact O-N 3.15Å; Y390-Q392 VanDerWaalsContact C-N 3.26Å; Y390-Q392 PolarHBondContact O-N 3.49Å; Q392-R396 PolarHBondContact NE2-O 3.41Å
393R87.6Confident78.7Confident26 Ų2655 Ų5510%0.09832%0.315CS..  trans-69.2136.8175.1-64.6-64.2-167.7-176.6-2.1111L311 E314 W395 R396 L417L311-R393 VanDerWaalsContact CD1-NH2 3.34Å; E314-R393 VanDerWaalsContact CD-NH1 3.29Å; E314-R393 IonicContact OE1-CZ 3.99Å; E314-R393 IonicContact OE1-NH1 2.67Å; E314-R393 PolarHBondContact OE1-NH1 2.94Å; E314-R393 IonicContact OE2-CZ 2.77Å; E314-R393 VanDerWaalsContact OE2-CZ 3.24Å; E314-R393 IonicContact OE2-NH1 3.54Å; E314-R393 PolarHBondContact OE2-NH1 3.35Å; E314-R393 IonicContact OE2-NH2 3.1Å; E314-R393 PolarHBondContact OE2-NH2 3.36Å; R393-W395 VanDerWaalsContact C-N 3.31Å; R393-W395 HydrophobicContact CB-CD2 3.99Å; R393-W395 HydrophobicContact CB-CE3 4.33Å; R393-W395 HydrophobicContact CB-CH2 4.3Å; R393-W395 HydrophobicContact CB-CZ2 3.92Å; R393-W395 HydrophobicContact CB-CZ3 4.46Å; R393-W395 HydrophobicContact CG-CH2 4.19Å; R393-W395 HydrophobicContact CG-CZ2 3.77Å; R393-W395 PolarHBondContact O-N 3.1Å; R393-R396 HydrophobicContact CB-CB 4.23Å; R393-R396 HydrophobicContact CB-CG 4.16Å; R393-R396 PolarHBondContact O-N 2.89Å; R393-L417 VanDerWaalsContact NH1-CD1 3.35Å
394P87.6Confident79.2Confident32 Ų3251 Ų5121%0.20831%0.308CS..G310 helixtrans-52.5-44179.2-28.534.2000113.9L380 T382 L387 R396 Q397L380-P394 HydrophobicContact CD2-CG 4.33Å; T382-P394 HydrophobicContact CG2-CB 3.88Å; L387-P394 HydrophobicContact CD2-CB 4.45Å; L387-P394 HydrophobicContact CD2-CG 4.11Å; P394-R396 PolarHBondContact O-N 3.48Å; P394-R396 VanDerWaalsContact O-N 3.17Å; P394-Q397 WeakPolarHBondContact O-CG 3.15Å; P394-Q397 PolarHBondContact O-N 3.27Å
395W86.7Confident80Confident32 Ų3250.4 Ų50.412%0.12130%0.301CS..G310 helixtrans-74.6-0.1179.860.390.8000114.5L380 R393 E410 L417L380-W395 HydrophobicContact CD2-CE3 3.81Å; L380-W395 HydrophobicContact CD2-CZ3 3.44Å; L380-W395 VanDerWaalsContact CD2-CZ3 3.44Å; R393-W395 VanDerWaalsContact C-N 3.31Å; R393-W395 HydrophobicContact CB-CD2 3.99Å; R393-W395 HydrophobicContact CB-CE3 4.33Å; R393-W395 HydrophobicContact CB-CH2 4.3Å; R393-W395 HydrophobicContact CB-CZ2 3.92Å; R393-W395 HydrophobicContact CB-CZ3 4.46Å; R393-W395 HydrophobicContact CG-CH2 4.19Å; R393-W395 HydrophobicContact CG-CZ2 3.77Å; R393-W395 PolarHBondContact O-N 3.1Å; W395-E410 PolarHBondContact NE1-OE2 3.02Å; W395-L417 HydrophobicContact CH2-CD1 3.71Å; W395-L417 HydrophobicContact CH2-CG 4.43Å; W395-L417 HydrophobicContact CZ3-CD1 4.12Å; W395-L417 HydrophobicContact CZ3-CG 4.45Å
396R82.8Confident80.8Confident33 Ų3350.1 Ų50.113%0.12528%0.282CS..G310 helixtrans-113.912.9179-66.9-171.2172.2-123.24.5114Q392 R393 P394 E410Q392-R396 PolarHBondContact NE2-O 3.41Å; R393-R396 HydrophobicContact CB-CB 4.23Å; R393-R396 HydrophobicContact CB-CG 4.16Å; R393-R396 PolarHBondContact O-N 2.89Å; P394-R396 PolarHBondContact O-N 3.48Å; P394-R396 VanDerWaalsContact O-N 3.17Å; R396-E410 IonicContact CZ-OE2 3.13Å; R396-E410 VanDerWaalsContact CZ-OE2 3.26Å; R396-E410 IonicContact NE-OE2 2.69Å; R396-E410 PolarHBondContact NE-OE2 3.28Å; R396-E410 VanDerWaalsContact NH2-CD 3.33Å; R396-E410 IonicContact NH2-OE1 2.82Å; R396-E410 IonicContact NH2-OE2 2.79Å; R396-E410 PolarHBondContact NH2-OE2 3.46Å
397Q80.9Confident81.1Confident42 Ų4253.1 Ų53.120%0.19630%0.295CS..THydrogen-bonded Turntrans-59147.4176.1-69.5-164.824.400111.6G386 P394 H399G386-Q397 PolarHBondContact O-NE2 3.23Å; G386-Q397 VanDerWaalsContact O-NE2 3.08Å; P394-Q397 WeakPolarHBondContact O-CG 3.15Å; P394-Q397 PolarHBondContact O-N 3.27Å; Q397-H399 PolarHBondContact O-N 2.83Å; Q397-H399 PolarHBondContact O-ND1 3.47Å
398G73.6Confident81.1Confident37 Ų3757.7 Ų57.738%0.38132%0.316SS..THydrogen-bonded Turntrans79.7-17.9179.200000117K78K78-G398 PolarHBondContact NZ-O 3.29Å
399H76.4Confident81Confident109 Ų10959.7 Ų59.751%0.50532%0.321SS..SBendtrans-98.8158.8-177.6-60.882.4000112.4Q397Q397-H399 PolarHBondContact O-N 2.83Å; Q397-H399 PolarHBondContact O-ND1 3.47Å
400Q69.9Low80.8Confident52 Ų5261.1 Ų61.124%0.24333%0.328CS..  trans-79.4148.6171.6-50.2-178.218.900109.9I402 D403Q400-I402 PolarHBondContact O-N 3.28Å; Q400-I402 VanDerWaalsContact O-N 3.08Å; Q400-D403 WeakPolarHBondContact CB-OD2 3.15Å; Q400-D403 PolarHBondContact N-OD2 3.48Å; Q400-D403 WeakPolarHBondContact O-CB 3.38Å; Q400-D403 PolarHBondContact O-N 3.26Å
401S67.6Low80.7Confident18 Ų1867.3 Ų67.313%0.12636%0.355CS..THydrogen-bonded Turntrans-66.6-13.8-179.7-23.90000113.8T262T262-S401 PolarHBondContact OG1-O 3.34Å
402I65.8Low80.7Confident137 Ų13770.8 Ų70.870%0.70337%0.371SS*.THydrogen-bonded Turntrans-94.5-14.6177.7-55.2170.4000111.4Q400Q400-I402 PolarHBondContact O-N 3.28Å; Q400-I402 VanDerWaalsContact O-N 3.08Å
403D75Confident80.7Confident56 Ų5670.1 Ų70.130%0.29937%0.367SS..SBendtrans-63144.3179.2-66.8-21.7000110.2Q400Q400-D403 WeakPolarHBondContact CB-OD2 3.15Å; Q400-D403 PolarHBondContact N-OD2 3.48Å; Q400-D403 WeakPolarHBondContact O-CB 3.38Å; Q400-D403 PolarHBondContact O-N 3.26Å
404P74.2Confident80.8Confident129 Ų12969.5 Ų69.584%0.83837%0.366SS*.PPolyproline II helixtrans-58144-18022.3-31.8000111.6
405T77.2Confident80.8Confident70 Ų7069.9 Ų69.943%0.42937%0.366SS..PPolyproline II helixtrans-78.7135.7-173.464.90000110.8T262 P407T262-T405 HydrophobicContact CG2-CG2 3.67Å; T405-P407 VanDerWaalsContact O-CD 3.28Å; T405-P407 WeakPolarHBondContact O-CD 3.44Å
406D84.1Confident81Confident69 Ų6968.4 Ų68.437%0.36936%0.361SS..  trans-76.3108.2163.9-179.5-22.8000108.3E408 K409 E410D406-E408 VanDerWaalsContact C-N 3.29Å; D406-E408 PolarHBondContact O-N 3.43Å; D406-E408 PolarHBondContact OD1-N 2.9Å; D406-K409 HydrophobicContact CB-CB 4.11Å; D406-K409 HydrophobicContact CB-CD 4.27Å; D406-K409 HydrophobicContact CB-CG 4.36Å; D406-K409 PolarHBondContact O-N 2.9Å; D406-K409 PolarHBondContact OD1-N 3.43Å; D406-K409 WeakPolarHBondContact OD2-CD 3.42Å; D406-K409 WeakPolarHBondContact OD2-CE 3.4Å; D406-K409 WeakPolarHBondContact OD2-CG 3.4Å; D406-K409 IonicContact OD2-NZ 2.73Å; D406-E410 WeakPolarHBondContact O-CB 3.45Å; D406-E410 PolarHBondContact O-N 3.12Å
407P83.3Confident81.3Confident94 Ų9467.6 Ų67.661%0.6136%0.359SS*.Hα-helixtrans-67.2-29.9-17127.8-34.2000112.6T405 K411T405-P407 VanDerWaalsContact O-CD 3.28Å; T405-P407 WeakPolarHBondContact O-CD 3.44Å; P407-K411 WeakPolarHBondContact O-CB 3.3Å; P407-K411 PolarHBondContact O-N 3.03Å; P407-K411 VanDerWaalsContact O-N 3.12Å
408E85.9Confident81.7Confident148 Ų14866.8 Ų66.869%0.69236%0.355SS*.Hα-helixtrans-72.4-47178.1-69.2-166.9150.300110.8D406 E410 K411 L412D406-E408 VanDerWaalsContact C-N 3.29Å; D406-E408 PolarHBondContact O-N 3.43Å; D406-E408 PolarHBondContact OD1-N 2.9Å; E408-E410 VanDerWaalsContact C-N 3.32Å; E408-E410 PolarHBondContact O-N 3.27Å; E408-K411 PolarHBondContact O-N 3.33Å; E408-L412 VanDerWaalsContact O-CG 3.3Å; E408-L412 WeakPolarHBondContact O-CG 3.46Å; E408-L412 PolarHBondContact O-N 3.02Å
409K84.9Confident82.4Confident111 Ų11165.8 Ų65.848%0.48334%0.341SS..Hα-helixtrans-63.6-37.6176.8-71.9-177.7-171.31620112.7D406 G413D406-K409 HydrophobicContact CB-CB 4.11Å; D406-K409 HydrophobicContact CB-CD 4.27Å; D406-K409 HydrophobicContact CB-CG 4.36Å; D406-K409 PolarHBondContact O-N 2.9Å; D406-K409 PolarHBondContact OD1-N 3.43Å; D406-K409 WeakPolarHBondContact OD2-CD 3.42Å; D406-K409 WeakPolarHBondContact OD2-CE 3.4Å; D406-K409 WeakPolarHBondContact OD2-CG 3.4Å; D406-K409 IonicContact OD2-NZ 2.73Å; K409-G413 PolarHBondContact O-N 3.18Å
410E86.9Confident82.9Confident38 Ų3865.2 Ų65.218%0.17834%0.337CS..Hα-helixtrans-64.7-45.4177.2-163.171.1-162.700110.9W395 R396 D406 E408 G413 I414W395-E410 PolarHBondContact NE1-OE2 3.02Å; R396-E410 IonicContact CZ-OE2 3.13Å; R396-E410 VanDerWaalsContact CZ-OE2 3.26Å; R396-E410 IonicContact NE-OE2 2.69Å; R396-E410 PolarHBondContact NE-OE2 3.28Å; R396-E410 VanDerWaalsContact NH2-CD 3.33Å; R396-E410 IonicContact NH2-OE1 2.82Å; R396-E410 IonicContact NH2-OE2 2.79Å; R396-E410 PolarHBondContact NH2-OE2 3.46Å; D406-E410 WeakPolarHBondContact O-CB 3.45Å; D406-E410 PolarHBondContact O-N 3.12Å; E408-E410 VanDerWaalsContact C-N 3.32Å; E408-E410 PolarHBondContact O-N 3.27Å; E410-G413 PolarHBondContact O-N 3.12Å; E410-I414 HydrophobicContact CG-CD1 4.03Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 2.91Å
411K87.7Confident83.8Confident155 Ų15563.3 Ų63.367%0.67433%0.328SS*.Hα-helixtrans-61.4-45.4176.8-174.9-179.7178.8-177.70112.1P407 E408 I414 L415P407-K411 WeakPolarHBondContact O-CB 3.3Å; P407-K411 PolarHBondContact O-N 3.03Å; P407-K411 VanDerWaalsContact O-N 3.12Å; E408-K411 PolarHBondContact O-N 3.33Å; K411-I414 PolarHBondContact O-N 3.19Å; K411-L415 WeakPolarHBondContact O-CB 3.35Å; K411-L415 PolarHBondContact O-N 3.38Å
412L88.9Confident84.7Confident84 Ų8468.2 Ų68.244%0.4434%0.344SS..Hα-helixtrans-64.3-40.6177.5-66.6173.1000111.6P375 P379 E408 L415 A416P375-L412 HydrophobicContact CB-CB 4.48Å; P375-L412 HydrophobicContact CB-CD2 4.14Å; P375-L412 HydrophobicContact CG-CD2 4.36Å; P379-L412 HydrophobicContact CG-CB 4.41Å; E408-L412 VanDerWaalsContact O-CG 3.3Å; E408-L412 WeakPolarHBondContact O-CG 3.46Å; E408-L412 PolarHBondContact O-N 3.02Å; L412-L415 PolarHBondContact O-N 3.31Å; L412-A416 WeakPolarHBondContact O-CB 3.32Å; L412-A416 PolarHBondContact O-N 2.9Å
413G88.1Confident85.6Confident0 Ų067 Ų670%034%0.339CS..Hα-helixtrans-64-44.3176.300000113.5K409 E410 A416 L417K409-G413 PolarHBondContact O-N 3.18Å; E410-G413 PolarHBondContact O-N 3.12Å; G413-A416 PolarHBondContact O-N 3.27Å; G413-L417 WeakPolarHBondContact O-CG 3.34Å; G413-L417 PolarHBondContact O-N 3.19Å
414I89.1Confident86.3Confident13 Ų1365.9 Ų65.97%0.06733%0.334CS..Hα-helixtrans-62-47.1175.9-68.7164.8000110.5E310 L311 E410 K411 A416 L417 Q418E310-I414 HydrophobicContact CB-CG2 3.99Å; E310-I414 WeakPolarHBondContact OE2-CG2 3.46Å; L311-I414 HydrophobicContact CD1-CG1 3.98Å; L311-I414 HydrophobicContact CD2-CG2 3.97Å; L311-I414 HydrophobicContact CG-CG1 4.39Å; L311-I414 HydrophobicContact CG-CG2 4.14Å; E410-I414 HydrophobicContact CG-CD1 4.03Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 2.91Å; K411-I414 PolarHBondContact O-N 3.19Å; I414-A416 VanDerWaalsContact C-N 3.34Å; I414-A416 PolarHBondContact O-N 3.46Å; I414-L417 PolarHBondContact O-N 2.62Å; I414-L417 VanDerWaalsContact O-N 3.17Å; I414-Q418 PolarHBondContact O-N 3.43Å
415L88.8Confident87Confident41 Ų4162.9 Ų62.922%0.21531%0.314CS..Hα-helixtrans-60.9-42.8178.7177.860.3000111.9T372 P375 K411 L412 L417 Q418 I419T372-L415 HydrophobicContact CG2-CD1 3.76Å; T372-L415 HydrophobicContact CG2-CD2 3.97Å; T372-L415 HydrophobicContact CG2-CG 4.45Å; P375-L415 HydrophobicContact CG-CD2 4.2Å; P375-L415 HydrophobicContact CG-CG 4.33Å; K411-L415 WeakPolarHBondContact O-CB 3.35Å; K411-L415 PolarHBondContact O-N 3.38Å; L412-L415 PolarHBondContact O-N 3.31Å; L415-L417 VanDerWaalsContact C-N 3.29Å; L415-L417 PolarHBondContact O-N 3.38Å; L415-Q418 PolarHBondContact O-N 3.35Å; L415-I419 HydrophobicContact CD1-CD1 4.03Å; L415-I419 HydrophobicContact CD1-CG1 4.25Å; L415-I419 HydrophobicContact CG-CD1 4.02Å; L415-I419 WeakPolarHBondContact O-CG1 3.3Å; L415-I419 PolarHBondContact O-N 3.32Å
416A89.4Confident87.7Confident0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-60.5-37.6176.800000112.4Y374 P375 P379 L380 L412 G413 I414 K420Y374-A416 HydrophobicContact CE2-CB 4.03Å; P375-A416 HydrophobicContact CG-CB 4.2Å; P379-A416 HydrophobicContact CG-CB 3.63Å; L380-A416 HydrophobicContact CD1-CB 3.83Å; L380-A416 HydrophobicContact CD2-CB 4.4Å; L380-A416 HydrophobicContact CG-CB 3.88Å; L412-A416 WeakPolarHBondContact O-CB 3.32Å; L412-A416 PolarHBondContact O-N 2.9Å; G413-A416 PolarHBondContact O-N 3.27Å; I414-A416 VanDerWaalsContact C-N 3.34Å; I414-A416 PolarHBondContact O-N 3.46Å; A416-K420 PolarHBondContact O-N 3.24Å
417L89.2Confident88.1Confident16 Ų1658.1 Ų58.18%0.08429%0.286CS..Hα-helixtrans-69.8-41.5175.6-70.1176.2000112.7L311 L380 R393 W395 G413 I414 L415 I419 K420 E421L311-L417 HydrophobicContact CD1-CD1 3.95Å; L311-L417 HydrophobicContact CD2-CB 3.98Å; L311-L417 HydrophobicContact CD2-CD1 4.18Å; L380-L417 HydrophobicContact CD1-CD2 3.96Å; L380-L417 HydrophobicContact CD1-CG 4.5Å; L380-L417 HydrophobicContact CD2-CD2 4.03Å; L380-L417 HydrophobicContact CD2-CG 4.18Å; R393-L417 VanDerWaalsContact NH1-CD1 3.35Å; W395-L417 HydrophobicContact CH2-CD1 3.71Å; W395-L417 HydrophobicContact CH2-CG 4.43Å; W395-L417 HydrophobicContact CZ3-CD1 4.12Å; W395-L417 HydrophobicContact CZ3-CG 4.45Å; G413-L417 WeakPolarHBondContact O-CG 3.34Å; G413-L417 PolarHBondContact O-N 3.19Å; I414-L417 PolarHBondContact O-N 2.62Å; I414-L417 VanDerWaalsContact O-N 3.17Å; L415-L417 VanDerWaalsContact C-N 3.29Å; L415-L417 PolarHBondContact O-N 3.38Å; L417-I419 VanDerWaalsContact C-N 3.3Å; L417-I419 PolarHBondContact O-N 2.91Å; L417-K420 PolarHBondContact O-N 3.33Å; L417-E421 WeakPolarHBondContact O-CB 3.26Å; L417-E421 PolarHBondContact O-N 2.77Å
418Q89.3Confident88.5Confident25 Ų2560 Ų6012%0.11729%0.287CS..Hα-helixtrans-60.4-40.8175-73.2171.8-13.700111.6E310 L311 F313 C368 I414 L415 E421 R422E310-Q418 PolarHBondContact O-NE2 3.09Å; L311-Q418 HydrophobicContact CD2-CG 4.46Å; F313-Q418 HydrophobicContact CE1-CG 3.97Å; F313-Q418 HydrophobicContact CZ-CG 4.28Å; C368-Q418 PolarHBondContact SG-O 3.45Å; C368-Q418 VanDerWaalsContact SG-O 3.34Å; I414-Q418 PolarHBondContact O-N 3.43Å; L415-Q418 PolarHBondContact O-N 3.35Å; Q418-E421 PolarHBondContact O-N 3.38Å; Q418-R422 PolarHBondContact O-N 3.34Å
419I87.9Confident88.8Confident17 Ų1756.2 Ų56.29%0.08727%0.271CS..Hα-helixtrans-67.6-44.3176.9-64.3168.6000110.9Y374 L415 L417 E421 R422Y374-I419 HydrophobicContact CD2-CB 4.15Å; Y374-I419 HydrophobicContact CD2-CD1 4.25Å; Y374-I419 HydrophobicContact CD2-CG2 3.86Å; L415-I419 HydrophobicContact CD1-CD1 4.03Å; L415-I419 HydrophobicContact CD1-CG1 4.25Å; L415-I419 HydrophobicContact CG-CD1 4.02Å; L415-I419 WeakPolarHBondContact O-CG1 3.3Å; L415-I419 PolarHBondContact O-N 3.32Å; L417-I419 VanDerWaalsContact C-N 3.3Å; L417-I419 PolarHBondContact O-N 2.91Å; I419-E421 VanDerWaalsContact C-N 3.28Å; I419-E421 PolarHBondContact O-N 3.06Å; I419-R422 WeakPolarHBondContact O-CB 3.28Å; I419-R422 PolarHBondContact O-N 3.05Å
420K87.4Confident89.3Confident96 Ų9650.9 Ų50.942%0.41725%0.248SC..Hα-helixtrans-62.9-34176.3-79.1-171.7179.5168.80112.9Y374 D378 L380 A416 L417 R422 D423Y374-K420 HydrophobicContact CE2-CG 4.31Å; Y374-K420 VanDerWaalsContact OH-CE 3.28Å; Y374-K420 WeakPolarHBondContact OH-CE 3.44Å; Y374-K420 PolarHBondContact OH-NZ 3.33Å; D378-K420 IonicContact OD2-NZ 3.96Å; L380-K420 HydrophobicContact CD1-CD 3.57Å; L380-K420 HydrophobicContact CD1-CG 4.47Å; L380-K420 VanDerWaalsContact CD1-NZ 3.3Å; A416-K420 PolarHBondContact O-N 3.24Å; L417-K420 PolarHBondContact O-N 3.33Å; K420-R422 VanDerWaalsContact C-N 3.28Å; K420-R422 PolarHBondContact O-N 3.34Å; K420-D423 PolarHBondContact O-N 3.36Å
421E90.2Very high89.7Confident13 Ų1349.8 Ų49.86%0.06124%0.243CC..Hα-helixtrans-66.6-30.7178.5-175.764.7-164.400112.4F313 R360 A364 L417 Q418 I419 D423 V424 H426F313-E421 HydrophobicContact CD2-CB 4.02Å; F313-E421 VanDerWaalsContact CD2-CD 3.44Å; F313-E421 HydrophobicContact CD2-CG 3.42Å; F313-E421 VanDerWaalsContact CD2-CG 3.42Å; F313-E421 HydrophobicContact CE2-CB 3.61Å; F313-E421 HydrophobicContact CE2-CG 3.58Å; F313-E421 HydrophobicContact CG-CG 3.94Å; F313-E421 HydrophobicContact CZ-CB 3.99Å; F313-E421 HydrophobicContact CZ-CG 4.22Å; R360-E421 WeakPolarHBondContact CG-OE1 3.5Å; R360-E421 IonicContact CZ-OE1 2.62Å; R360-E421 VanDerWaalsContact CZ-OE1 3.3Å; R360-E421 IonicContact CZ-OE2 2.7Å; R360-E421 IonicContact NE-OE1 3.72Å; R360-E421 PolarHBondContact NE-OE1 2.96Å; R360-E421 IonicContact NE-OE2 3.47Å; R360-E421 IonicContact NH2-OE1 2.68Å; R360-E421 PolarHBondContact NH2-OE1 2.89Å; R360-E421 VanDerWaalsContact NH2-OE1 3.16Å; R360-E421 IonicContact NH2-OE2 3.45Å; R360-E421 PolarHBondContact NH2-OE2 3.14Å; A364-E421 HydrophobicContact CB-CG 3.85Å; L417-E421 WeakPolarHBondContact O-CB 3.26Å; L417-E421 PolarHBondContact O-N 2.77Å; Q418-E421 PolarHBondContact O-N 3.38Å; I419-E421 VanDerWaalsContact C-N 3.28Å; I419-E421 PolarHBondContact O-N 3.06Å; E421-D423 PolarHBondContact O-N 3.24Å; E421-V424 VanDerWaalsContact O-CB 3.31Å; E421-V424 WeakPolarHBondContact O-CB 3.41Å; E421-V424 WeakPolarHBondContact O-CG2 3.35Å; E421-V424 PolarHBondContact O-N 3.48Å; E421-H426 PolarHBondContact O-CE1 3Å; E421-H426 IonicContact OE1-CD2 3.68Å; E421-H426 IonicContact OE1-CE1 3.75Å; E421-H426 IonicContact OE1-NE2 3.5Å; E421-H426 PolarHBondContact OE1-NE2 3.28Å
422R84.8Confident90.1Very high120 Ų12044.9 Ų44.945%0.45323%0.232SC..Hα-helixtrans-61.2-34176.8-173-173.765.8-163.5-1.8112.7Q418 I419 K420 V424Q418-R422 PolarHBondContact O-N 3.34Å; I419-R422 WeakPolarHBondContact O-CB 3.28Å; I419-R422 PolarHBondContact O-N 3.05Å; K420-R422 VanDerWaalsContact C-N 3.28Å; K420-R422 PolarHBondContact O-N 3.34Å; R422-V424 PolarHBondContact O-N 3.3Å
423D85.6Confident90.4Very high113 Ų11341.3 Ų41.360%0.60421%0.213SC*.THydrogen-bonded Turntrans-84.22.7-176.7-55.5-26.4000112.1K420 E421K420-D423 PolarHBondContact O-N 3.36Å; E421-D423 PolarHBondContact O-N 3.24Å
424V88.5Confident90.8Very high32 Ų3241.3 Ų41.319%0.19421%0.213CC..SBendtrans-78.9129.4178.4176.80000110.5E421 R422 H426 L429E421-V424 VanDerWaalsContact O-CB 3.31Å; E421-V424 WeakPolarHBondContact O-CB 3.41Å; E421-V424 WeakPolarHBondContact O-CG2 3.35Å; E421-V424 PolarHBondContact O-N 3.48Å; R422-V424 PolarHBondContact O-N 3.3Å; V424-H426 VanDerWaalsContact C-N 3.31Å; V424-H426 PolarHBondContact O-N 3.4Å; V424-H426 PolarHBondContact O-ND1 2.91Å; V424-H426 VanDerWaalsContact O-ND1 3.12Å; V424-L429 HydrophobicContact CG1-CD1 3.69Å
425P89.6Confident91.1Very high66 Ų6643.5 Ų43.543%0.42923%0.229SC..  trans-78.376.3176.132.3-35.6000111.2S427 E428 L429P425-S427 PolarHBondContact O-N 3.29Å; P425-E428 HydrophobicContact CB-CB 4.19Å; P425-E428 HydrophobicContact CB-CG 4.14Å; P425-E428 PolarHBondContact O-N 3.39Å; P425-L429 PolarHBondContact O-N 2.9Å
426H91.9Very high91.4Very high23 Ų2344.8 Ų44.811%0.10624%0.237CC..Hα-helixtrans-56.8-43.9-173.7-60.793000113.7K361 E421 V424 E428 L429 I430K361-H426 HydrophobicContact CB-CB 3.83Å; K361-H426 HydrophobicContact CD-CB 4Å; K361-H426 HydrophobicContact CG-CB 3.85Å; E421-H426 PolarHBondContact O-CE1 3Å; E421-H426 IonicContact OE1-CD2 3.68Å; E421-H426 IonicContact OE1-CE1 3.75Å; E421-H426 IonicContact OE1-NE2 3.5Å; E421-H426 PolarHBondContact OE1-NE2 3.28Å; V424-H426 VanDerWaalsContact C-N 3.31Å; V424-H426 PolarHBondContact O-N 3.4Å; V424-H426 PolarHBondContact O-ND1 2.91Å; V424-H426 VanDerWaalsContact O-ND1 3.12Å; H426-E428 VanDerWaalsContact C-N 3.35Å; H426-E428 PolarHBondContact O-N 2.86Å; H426-L429 PolarHBondContact O-N 3.1Å; H426-I430 WeakPolarHBondContact O-CD1 3.36Å; H426-I430 VanDerWaalsContact O-CG1 3.26Å; H426-I430 WeakPolarHBondContact O-CG1 3.38Å; H426-I430 PolarHBondContact O-N 3.2Å
427S92.8Very high91.8Very high15 Ų1544.8 Ų44.811%0.10524%0.237CC..Hα-helixtrans-64.5-37.3-178.6-78.30000112.5K361 P425 L429 I430 I431 E460K361-S427 PolarHBondContact NZ-OG 3.1Å; P425-S427 PolarHBondContact O-N 3.29Å; S427-L429 PolarHBondContact O-N 3.19Å; S427-I430 PolarHBondContact O-N 2.82Å; S427-I431 WeakPolarHBondContact O-CB 3.26Å; S427-I431 VanDerWaalsContact O-CD1 3.31Å; S427-I431 WeakPolarHBondContact O-CD1 3.29Å; S427-I431 WeakPolarHBondContact O-CG1 3.32Å; S427-I431 PolarHBondContact O-N 2.93Å; S427-E460 PolarHBondContact OG-OE2 3.14Å
428E92.4Very high92Very high133 Ų13345 Ų4562%0.62124%0.239SC*.Hα-helixtrans-65.3-39.7176.3-63.3-178176.900111.9P425 H426 I431 A432P425-E428 HydrophobicContact CB-CB 4.19Å; P425-E428 HydrophobicContact CB-CG 4.14Å; P425-E428 PolarHBondContact O-N 3.39Å; H426-E428 VanDerWaalsContact C-N 3.35Å; H426-E428 PolarHBondContact O-N 2.86Å; E428-I431 PolarHBondContact O-N 2.92Å; E428-A432 WeakPolarHBondContact O-CB 3.36Å; E428-A432 PolarHBondContact O-N 2.97Å
429L92.4Very high92.3Very high69 Ų6946.6 Ų46.636%0.36126%0.256SS..Hα-helixtrans-63.7-43.5175.5-65176000111.7V424 P425 H426 S427 A432 L433V424-L429 HydrophobicContact CG1-CD1 3.69Å; P425-L429 PolarHBondContact O-N 2.9Å; H426-L429 PolarHBondContact O-N 3.1Å; S427-L429 PolarHBondContact O-N 3.19Å; L429-A432 PolarHBondContact O-N 2.87Å; L429-L433 WeakPolarHBondContact O-CG 3.25Å; L429-L433 PolarHBondContact O-N 3.37Å; L429-L433 VanDerWaalsContact O-N 3.15Å
430I95.4Very high92.6Very high0 Ų046.6 Ų46.60%026%0.255CS..Hα-helixtrans-63.7-46.5177.2-62.8157.4000110A354 S357 Q358 K361 H426 S427 A432 L433 L434 E460A354-I430 HydrophobicContact CB-CG2 4.41Å; S357-I430 WeakPolarHBondContact OG-CG1 3.45Å; Q358-I430 HydrophobicContact CB-CD1 4.45Å; Q358-I430 HydrophobicContact CG-CD1 3.76Å; Q358-I430 HydrophobicContact CG-CG1 4.12Å; Q358-I430 HydrophobicContact CG-CG2 3.88Å; K361-I430 HydrophobicContact CB-CD1 4.4Å; K361-I430 HydrophobicContact CD-CD1 3.96Å; H426-I430 WeakPolarHBondContact O-CD1 3.36Å; H426-I430 VanDerWaalsContact O-CG1 3.26Å; H426-I430 WeakPolarHBondContact O-CG1 3.38Å; H426-I430 PolarHBondContact O-N 3.2Å; S427-I430 PolarHBondContact O-N 2.82Å; I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.24Å; I430-L433 PolarHBondContact O-N 3.01Å; I430-L434 HydrophobicContact CG2-CD1 3.81Å; I430-L434 HydrophobicContact CG2-CG 4.17Å; I430-L434 WeakPolarHBondContact O-CG 3.28Å; I430-L434 PolarHBondContact O-N 3.22Å; I430-E460 HydrophobicContact CB-CG 4.34Å; I430-E460 HydrophobicContact CG2-CG 3.75Å
431I95.1Very high92.8Very high14 Ų1442.1 Ų42.17%0.07224%0.236CC..Hα-helixtrans-58.5-44.2178-71.6161.4000111S427 E428 L433 L434 S435 M457 E460 Y461S427-I431 WeakPolarHBondContact O-CB 3.26Å; S427-I431 VanDerWaalsContact O-CD1 3.31Å; S427-I431 WeakPolarHBondContact O-CD1 3.29Å; S427-I431 WeakPolarHBondContact O-CG1 3.32Å; S427-I431 PolarHBondContact O-N 2.93Å; E428-I431 PolarHBondContact O-N 2.92Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.06Å; I431-L434 PolarHBondContact O-N 2.85Å; I431-S435 VanDerWaalsContact O-CB 3.26Å; I431-S435 WeakPolarHBondContact O-CB 3.43Å; I431-S435 PolarHBondContact O-N 2.74Å; I431-M457 HydrophobicContact CG1-CG 4.3Å; I431-M457 HydrophobicContact CG2-CG 4.09Å; I431-M457 HydrophobicContact CG2-SD 4.24Å; I431-E460 HydrophobicContact CD1-CB 4.13Å; I431-E460 HydrophobicContact CG1-CB 3.74Å; I431-Y461 HydrophobicContact CD1-CD1 3.69Å; I431-Y461 HydrophobicContact CD1-CD2 4.3Å; I431-Y461 HydrophobicContact CD1-CE1 3.78Å; I431-Y461 HydrophobicContact CD1-CE2 4.37Å; I431-Y461 HydrophobicContact CD1-CG 3.97Å; I431-Y461 HydrophobicContact CG1-CD2 4.5Å; I431-Y461 HydrophobicContact CG1-CE2 4.41Å; I431-Y461 HydrophobicContact CG2-CE1 4.12Å; I431-Y461 HydrophobicContact CG2-CE2 3.8Å; I431-Y461 VanDerWaalsContact CG2-CZ 3.49Å; I431-Y461 WeakPolarHBondContact CG2-OH 3.32Å
432A94.8Very high93Very high52 Ų5248.9 Ų48.943%0.4327%0.265SS..Hα-helixtrans-60.4-43.2177.500000112E428 L429 I430 S435 N436E428-A432 WeakPolarHBondContact O-CB 3.36Å; E428-A432 PolarHBondContact O-N 2.97Å; L429-A432 PolarHBondContact O-N 2.87Å; I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.24Å; A432-S435 PolarHBondContact O-N 2.97Å; A432-N436 PolarHBondContact O-N 3.02Å; A432-N436 VanDerWaalsContact O-N 3.1Å; A432-N436 PolarHBondContact O-ND2 2.97Å
433L95.8Very high93.3Very high9 Ų948.9 Ų48.95%0.04727%0.268CS..Hα-helixtrans-67.6-43.6177.5-67.9168.7000112.4Q324 A353 A354 L429 I430 I431 S435 N436 A437Q324-L433 HydrophobicContact CB-CD2 4.08Å; Q324-L433 HydrophobicContact CG-CD2 3.85Å; A353-L433 HydrophobicContact CB-CD1 4.12Å; A353-L433 HydrophobicContact CB-CD2 4.02Å; A354-L433 HydrophobicContact CB-CB 3.85Å; L429-L433 WeakPolarHBondContact O-CG 3.25Å; L429-L433 PolarHBondContact O-N 3.37Å; L429-L433 VanDerWaalsContact O-N 3.15Å; I430-L433 PolarHBondContact O-N 3.01Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.06Å; L433-S435 VanDerWaalsContact C-N 3.33Å; L433-S435 PolarHBondContact O-N 3.12Å; L433-N436 PolarHBondContact O-N 3.36Å; L433-A437 PolarHBondContact O-N 2.93Å
434L96.4Very high93.4Very high0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-63-40.1175.5-70.9175.6000111.6A354 I430 I431 N436 A437 V438 L453 Q456 M457A354-L434 HydrophobicContact CB-CD2 3.63Å; A354-L434 HydrophobicContact CB-CG 3.83Å; I430-L434 HydrophobicContact CG2-CD1 3.81Å; I430-L434 HydrophobicContact CG2-CG 4.17Å; I430-L434 WeakPolarHBondContact O-CG 3.28Å; I430-L434 PolarHBondContact O-N 3.22Å; I431-L434 PolarHBondContact O-N 2.85Å; L434-N436 PolarHBondContact O-N 3.24Å; L434-A437 WeakPolarHBondContact O-CB 3.45Å; L434-A437 PolarHBondContact O-N 3.29Å; L434-A437 VanDerWaalsContact O-N 3.15Å; L434-V438 WeakPolarHBondContact O-CG2 3.38Å; L434-V438 PolarHBondContact O-N 3.39Å; L434-L453 HydrophobicContact CD2-CD2 3.87Å; L434-Q456 HydrophobicContact CD1-CB 3.95Å; L434-Q456 HydrophobicContact CD2-CB 4.45Å; L434-M457 HydrophobicContact CB-CB 4.2Å; L434-M457 HydrophobicContact CB-CG 4.33Å; L434-M457 HydrophobicContact CB-SD 4.34Å; L434-M457 HydrophobicContact CD1-CB 3.96Å
435S96.1Very high93.6Very high59 Ų5952.1 Ų52.141%0.41327%0.274SS..Hα-helixtrans-61.4-44.1176.3-171.10000111.6I431 A432 L433 A437 V438 A439I431-S435 VanDerWaalsContact O-CB 3.26Å; I431-S435 WeakPolarHBondContact O-CB 3.43Å; I431-S435 PolarHBondContact O-N 2.74Å; A432-S435 PolarHBondContact O-N 2.97Å; L433-S435 VanDerWaalsContact C-N 3.33Å; L433-S435 PolarHBondContact O-N 3.12Å; S435-A437 VanDerWaalsContact C-N 3.32Å; S435-A437 PolarHBondContact O-N 3.36Å; S435-V438 PolarHBondContact O-N 3.28Å; S435-A439 PolarHBondContact O-N 2.86Å
436N95.2Very high93.6Very high69 Ų6949.9 Ų49.937%0.36926%0.259SS..Hα-helixtrans-60.3-41.3173-71.5-20.6000111.9Y350 A432 L433 L434 Q440Y350-N436 HydrophobicContact CD1-CB 4.07Å; Y350-N436 HydrophobicContact CD2-CB 4.06Å; Y350-N436 HydrophobicContact CE1-CB 4.37Å; Y350-N436 HydrophobicContact CE2-CB 4.36Å; Y350-N436 HydrophobicContact CG-CB 3.91Å; A432-N436 PolarHBondContact O-N 3.02Å; A432-N436 VanDerWaalsContact O-N 3.1Å; A432-N436 PolarHBondContact O-ND2 2.97Å; L433-N436 PolarHBondContact O-N 3.36Å; L434-N436 PolarHBondContact O-N 3.24Å; N436-Q440 WeakPolarHBondContact O-CG 3.36Å; N436-Q440 PolarHBondContact O-N 3.44Å
437A95.9Very high93.5Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-64.2-48.117600000111.9Q351 L433 L434 S435 A439 Q440 F441 L453Q351-A437 HydrophobicContact CB-CB 4.41Å; L433-A437 PolarHBondContact O-N 2.93Å; L434-A437 WeakPolarHBondContact O-CB 3.45Å; L434-A437 PolarHBondContact O-N 3.29Å; L434-A437 VanDerWaalsContact O-N 3.15Å; S435-A437 VanDerWaalsContact C-N 3.32Å; S435-A437 PolarHBondContact O-N 3.36Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A437-A439 PolarHBondContact O-N 3Å; A437-Q440 PolarHBondContact O-N 3.44Å; A437-Q440 VanDerWaalsContact O-N 3.12Å; A437-F441 HydrophobicContact CB-CD2 4.42Å; A437-F441 HydrophobicContact CB-CE2 4.36Å; A437-F441 WeakPolarHBondContact O-CD2 3.3Å; A437-F441 PolarHBondContact O-N 3.46Å; A437-L453 HydrophobicContact CB-CD1 3.76Å
438V95.4Very high93.4Very high21 Ų2159.3 Ų59.313%0.12730%0.302CS..Hα-helixtrans-56.8-43.7177.5168.40000111.2L434 S435 Q440 F441 K442 K450 L453 M454L434-V438 WeakPolarHBondContact O-CG2 3.38Å; L434-V438 PolarHBondContact O-N 3.39Å; S435-V438 PolarHBondContact O-N 3.28Å; V438-Q440 VanDerWaalsContact C-N 3.31Å; V438-Q440 PolarHBondContact O-N 2.93Å; V438-F441 PolarHBondContact O-N 3.06Å; V438-K442 VanDerWaalsContact O-CB 3.28Å; V438-K442 WeakPolarHBondContact O-CB 3.44Å; V438-K442 PolarHBondContact O-N 2.73Å; V438-K450 HydrophobicContact CG1-CG 4.02Å; V438-L453 HydrophobicContact CG2-CB 3.59Å; V438-L453 HydrophobicContact CG2-CD1 4.38Å; V438-M454 HydrophobicContact CG1-CG 4.21Å; V438-M454 HydrophobicContact CG2-CG 4.11Å
439A94.5Very high93.4Very high57 Ų5755.8 Ų55.847%0.47129%0.286SS..Hα-helixtrans-58.8-42.4177.400000112S435 A437 K443S435-A439 PolarHBondContact O-N 2.86Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A437-A439 PolarHBondContact O-N 3Å; A439-K443 PolarHBondContact O-N 3Å
440Q93.3Very high93.4Very high18 Ų1853.8 Ų53.88%0.08427%0.274CS..Hα-helixtrans-69.1-48.2177.2-63.5-67.4-25.100111.4D331 P346 Y350 N436 A437 V438 K442 K443 Y444D331-Q440 PolarHBondContact OD1-NE2 3.49Å; P346-Q440 HydrophobicContact CB-CG 4.23Å; Y350-Q440 HydrophobicContact CD2-CG 4.14Å; Y350-Q440 HydrophobicContact CE2-CG 4.14Å; N436-Q440 WeakPolarHBondContact O-CG 3.36Å; N436-Q440 PolarHBondContact O-N 3.44Å; A437-Q440 PolarHBondContact O-N 3.44Å; A437-Q440 VanDerWaalsContact O-N 3.12Å; V438-Q440 VanDerWaalsContact C-N 3.31Å; V438-Q440 PolarHBondContact O-N 2.93Å; Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 2.81Å; Q440-K443 WeakPolarHBondContact O-CA 3.31Å; Q440-K443 WeakPolarHBondContact O-CB 3.4Å; Q440-K443 PolarHBondContact O-N 3.33Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.49Å; Q440-Y444 PolarHBondContact O-N 2.87Å
441F93.3Very high93.3Very high1 Ų153.9 Ų53.90%0.00428%0.275CS..Hα-helixtrans-65-28.4178.7-72.8-65.6000113.3G347 F348 A437 V438 K445 C446 M449 L453G347-F441 VanDerWaalsContact C-CE2 3.48Å; F348-F441 HydrophobicContact CD1-CE1 4.36Å; F348-F441 AromaticContact CD1-CZ 3.93Å; F348-F441 HydrophobicContact CD1-CZ 3.93Å; F348-F441 HydrophobicContact CD2-CE1 4.43Å; F348-F441 HydrophobicContact CD2-CZ 4.42Å; F348-F441 HydrophobicContact CE1-CE1 4.1Å; F348-F441 HydrophobicContact CE1-CZ 4.08Å; F348-F441 HydrophobicContact CE2-CE1 4.18Å; F348-F441 HydrophobicContact CG-CZ 4.11Å; F348-F441 HydrophobicContact CZ-CE1 4.01Å; F348-F441 HydrophobicContact CZ-CZ 4.4Å; A437-F441 HydrophobicContact CB-CD2 4.42Å; A437-F441 HydrophobicContact CB-CE2 4.36Å; A437-F441 WeakPolarHBondContact O-CD2 3.3Å; A437-F441 PolarHBondContact O-N 3.46Å; V438-F441 PolarHBondContact O-N 3.06Å; F441-K445 PolarHBondContact O-N 2.92Å; F441-C446 HydrophobicContact CB-CB 4.16Å; F441-C446 HydrophobicContact CD1-CB 3.84Å; F441-C446 HydrophobicContact CG-CB 4.45Å; F441-C446 PolarHBondContact O-N 2.94Å; F441-M449 HydrophobicContact CD1-CB 4.05Å; F441-M449 HydrophobicContact CD1-CG 3.73Å; F441-M449 HydrophobicContact CD2-CG 3.74Å; F441-M449 HydrophobicContact CE1-CB 4.34Å; F441-M449 HydrophobicContact CE1-CG 3.67Å; F441-M449 HydrophobicContact CE2-CG 3.69Å; F441-M449 HydrophobicContact CG-CB 4.19Å; F441-M449 HydrophobicContact CG-CG 3.76Å; F441-M449 HydrophobicContact CZ-CG 3.65Å; F441-L453 HydrophobicContact CD2-CD1 3.3Å; F441-L453 HydrophobicContact CE2-CD1 3.54Å; F441-L453 HydrophobicContact CG-CD1 4.39Å
442K92.8Very high93.2Very high155 Ų15556.9 Ų56.967%0.67429%0.289SS*.Hα-helixtrans-65.4-47.2168-175178.9179.6179.90111.2V438 Q440 Y444 K445V438-K442 VanDerWaalsContact O-CB 3.28Å; V438-K442 WeakPolarHBondContact O-CB 3.44Å; V438-K442 PolarHBondContact O-N 2.73Å; Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 2.81Å; K442-Y444 VanDerWaalsContact C-N 3.3Å; K442-Y444 PolarHBondContact O-N 3.38Å; K442-K445 PolarHBondContact O-N 3.4Å
443K91.3Very high93.2Very high120 Ų12054.4 Ų54.452%0.52227%0.268SS..Hα-helixtrans-58-39.3177.2-174.3-179178.3-176.70112.4A439 Q440A439-K443 PolarHBondContact O-N 3Å; Q440-K443 WeakPolarHBondContact O-CA 3.31Å; Q440-K443 WeakPolarHBondContact O-CB 3.4Å; Q440-K443 PolarHBondContact O-N 3.33Å
444Y89.5Confident93.1Very high34 Ų3455 Ų5513%0.13327%0.271CS..THydrogen-bonded Turntrans-93.614.3-179.7-62.5-73.7000114.9A340 N345 Q440 K442 C446A340-Y444 HydrophobicContact CB-CE1 3.95Å; A340-Y444 WeakPolarHBondContact CB-OH 3.26Å; N345-Y444 HydrophobicContact CB-CD2 3.55Å; N345-Y444 HydrophobicContact CB-CE1 4.46Å; N345-Y444 HydrophobicContact CB-CE2 3.48Å; N345-Y444 VanDerWaalsContact CB-CE2 3.48Å; N345-Y444 HydrophobicContact CB-CG 4.15Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.49Å; Q440-Y444 PolarHBondContact O-N 2.87Å; K442-Y444 VanDerWaalsContact C-N 3.3Å; K442-Y444 PolarHBondContact O-N 3.38Å; Y444-C446 PolarHBondContact O-N 2.99Å
445K90.8Very high93.1Very high179 Ų17955.5 Ų55.578%0.77827%0.274SS*.THydrogen-bonded Turntrans5645.8174.8-56.1-178.9179.5-179.60114Q342 F441 K442 P447Q342-K445 PolarHBondContact NE2-O 3.06Å; F441-K445 PolarHBondContact O-N 2.92Å; K442-K445 PolarHBondContact O-N 3.4Å; K445-P447 WeakPolarHBondContact O-CD 3.28Å
446C90.8Very high93Very high19 Ų1954.2 Ų54.213%0.12826%0.262CS..  trans-104.678.8175.1-59.60000111.2Q342 F441 Y444 R448 M449 K450Q342-C446 WeakPolarHBondContact CG-SG 3.43Å; Q342-C446 PolarHBondContact NE2-SG 3.11Å; F441-C446 HydrophobicContact CB-CB 4.16Å; F441-C446 HydrophobicContact CD1-CB 3.84Å; F441-C446 HydrophobicContact CG-CB 4.45Å; F441-C446 PolarHBondContact O-N 2.94Å; Y444-C446 PolarHBondContact O-N 2.99Å; C446-R448 PolarHBondContact O-N 2.73Å; C446-M449 HydrophobicContact CB-CB 4.2Å; C446-M449 PolarHBondContact O-N 3.16Å; C446-K450 WeakPolarHBondContact O-CB 3.4Å; C446-K450 PolarHBondContact O-N 2.67Å
447P89.8Confident93Very high77 Ų7751.6 Ų51.650%0.525%0.247SC..Hα-helixtrans-62.9-43.5-170.524.2-34.2000113.3K445 M449 K450 S451K445-P447 WeakPolarHBondContact O-CD 3.28Å; P447-M449 PolarHBondContact O-N 2.88Å; P447-K450 WeakPolarHBondContact O-CB 3.34Å; P447-K450 PolarHBondContact O-N 3.47Å; P447-S451 PolarHBondContact O-N 3.38Å; P447-S451 PolarHBondContact O-OG 2.9Å; P447-S451 VanDerWaalsContact O-OG 3.1Å
448R91Very high92.9Very high160 Ų16051.6 Ų51.660%0.60425%0.247SC*.Hα-helixtrans-64.2-42.3-179.6-68.3-177175.7165-1.1113.3C446 S451 H452 E484C446-R448 PolarHBondContact O-N 2.73Å; R448-S451 PolarHBondContact O-N 3.39Å; R448-H452 WeakPolarHBondContact O-CB 3.34Å; R448-H452 PolarHBondContact O-N 3.09Å; R448-E484 IonicContact CZ-OE2 2.85Å; R448-E484 IonicContact NE-OE2 3.24Å; R448-E484 PolarHBondContact NE-OE2 2.65Å; R448-E484 IonicContact NH2-OE2 2.9Å; R448-E484 PolarHBondContact NH2-OE2 2.88Å
449M91.7Very high92.8Very high58 Ų5854.2 Ų54.229%0.28626%0.258SS..Hα-helixtrans-67.9-40.3176.6-171.457.668.900110.9F441 C446 P447 S451 H452 L453F441-M449 HydrophobicContact CD1-CB 4.05Å; F441-M449 HydrophobicContact CD1-CG 3.73Å; F441-M449 HydrophobicContact CD2-CG 3.74Å; F441-M449 HydrophobicContact CE1-CB 4.34Å; F441-M449 HydrophobicContact CE1-CG 3.67Å; F441-M449 HydrophobicContact CE2-CG 3.69Å; F441-M449 HydrophobicContact CG-CB 4.19Å; F441-M449 HydrophobicContact CG-CG 3.76Å; F441-M449 HydrophobicContact CZ-CG 3.65Å; C446-M449 HydrophobicContact CB-CB 4.2Å; C446-M449 PolarHBondContact O-N 3.16Å; P447-M449 PolarHBondContact O-N 2.88Å; M449-S451 PolarHBondContact O-N 3.18Å; M449-H452 PolarHBondContact O-N 3.31Å; M449-L453 HydrophobicContact CG-CD1 4.13Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CG 3.29Å; M449-L453 WeakPolarHBondContact O-CG 3.33Å; M449-L453 PolarHBondContact O-N 3Å; M449-L453 HydrophobicContact SD-CD1 4.5Å; M449-L453 HydrophobicContact SD-CG 4.32Å
450K93.3Very high92.7Very high27 Ų2752 Ų5212%0.11724%0.238CC..Hα-helixtrans-55.2-51.7172.4-174.9-154.575.1-175.50110.6V438 C446 P447 L453 M454 Y476V438-K450 HydrophobicContact CG1-CG 4.02Å; C446-K450 WeakPolarHBondContact O-CB 3.4Å; C446-K450 PolarHBondContact O-N 2.67Å; P447-K450 WeakPolarHBondContact O-CB 3.34Å; P447-K450 PolarHBondContact O-N 3.47Å; K450-L453 PolarHBondContact O-N 2.94Å; K450-M454 HydrophobicContact CD-SD 4.33Å; K450-M454 HydrophobicContact CG-SD 4.14Å; K450-M454 VanDerWaalsContact O-CG 3.29Å; K450-M454 WeakPolarHBondContact O-CG 3.37Å; K450-M454 PolarHBondContact O-N 3.42Å; K450-Y476 VanDerWaalsContact NZ-CE1 3.34Å; K450-Y476 PolarHBondContact NZ-OH 3.38Å
451S92.3Very high92.8Very high2 Ų253.4 Ų53.41%0.01424%0.243CC..Hα-helixtrans-65.3-40.7-178.6-56.70000111.9P447 R448 M449 L453 M454 V455 D480P447-S451 PolarHBondContact O-N 3.38Å; P447-S451 PolarHBondContact O-OG 2.9Å; P447-S451 VanDerWaalsContact O-OG 3.1Å; R448-S451 PolarHBondContact O-N 3.39Å; M449-S451 PolarHBondContact O-N 3.18Å; S451-L453 PolarHBondContact O-N 3.16Å; S451-M454 PolarHBondContact O-N 3.45Å; S451-V455 WeakPolarHBondContact O-CG2 3.4Å; S451-V455 PolarHBondContact O-N 3.12Å; S451-D480 PolarHBondContact OG-OD2 3.42Å
452H92.9Very high92.7Very high78 Ų7855 Ų5536%0.36125%0.249SC..Hα-helixtrans-58-46.8173.6175.759.8000113R448 M449 V455 Q456R448-H452 WeakPolarHBondContact O-CB 3.34Å; R448-H452 PolarHBondContact O-N 3.09Å; M449-H452 PolarHBondContact O-N 3.31Å; H452-V455 WeakPolarHBondContact O-CB 3.37Å; H452-V455 PolarHBondContact O-N 2.88Å; H452-Q456 PolarHBondContact NE2-NE2 2.93Å; H452-Q456 PolarHBondContact O-N 3.02Å; H452-Q456 VanDerWaalsContact O-N 3.12Å
453L94.8Very high92.5Very high0 Ų053.1 Ų53.10%024%0.242CC..Hα-helixtrans-70.3-32.4178.8-64.7172.1000112.6Q351 L434 A437 V438 F441 M449 K450 S451 V455 Q456 M457Q351-L453 HydrophobicContact CB-CD2 4.3Å; Q351-L453 HydrophobicContact CG-CD2 3.82Å; L434-L453 HydrophobicContact CD2-CD2 3.87Å; A437-L453 HydrophobicContact CB-CD1 3.76Å; V438-L453 HydrophobicContact CG2-CB 3.59Å; V438-L453 HydrophobicContact CG2-CD1 4.38Å; F441-L453 HydrophobicContact CD2-CD1 3.3Å; F441-L453 HydrophobicContact CE2-CD1 3.54Å; F441-L453 HydrophobicContact CG-CD1 4.39Å; M449-L453 HydrophobicContact CG-CD1 4.13Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CG 3.29Å; M449-L453 WeakPolarHBondContact O-CG 3.33Å; M449-L453 PolarHBondContact O-N 3Å; M449-L453 HydrophobicContact SD-CD1 4.5Å; M449-L453 HydrophobicContact SD-CG 4.32Å; K450-L453 PolarHBondContact O-N 2.94Å; S451-L453 PolarHBondContact O-N 3.16Å; L453-V455 VanDerWaalsContact C-N 3.3Å; L453-Q456 PolarHBondContact O-N 3.36Å; L453-M457 VanDerWaalsContact O-CB 3.3Å; L453-M457 WeakPolarHBondContact O-CB 3.39Å; L453-M457 PolarHBondContact O-N 2.99Å
454M94.9Very high92.4Very high20 Ų2049.5 Ų49.510%0.09924%0.235CC..Hα-helixtrans-64.7-35.5172.6-74.6179.57200111.8V438 K450 S451 M457 G458 L473 Y476 V477V438-M454 HydrophobicContact CG1-CG 4.21Å; V438-M454 HydrophobicContact CG2-CG 4.11Å; K450-M454 HydrophobicContact CD-SD 4.33Å; K450-M454 HydrophobicContact CG-SD 4.14Å; K450-M454 VanDerWaalsContact O-CG 3.29Å; K450-M454 WeakPolarHBondContact O-CG 3.37Å; K450-M454 PolarHBondContact O-N 3.42Å; S451-M454 PolarHBondContact O-N 3.45Å; M454-M457 PolarHBondContact O-N 3.46Å; M454-G458 PolarHBondContact O-N 3.5Å; M454-L473 HydrophobicContact CE-CD2 3.63Å; M454-Y476 HydrophobicContact CE-CD1 3.39Å; M454-Y476 HydrophobicContact CE-CE1 4Å; M454-Y476 HydrophobicContact CE-CG 4.02Å; M454-Y476 HydrophobicContact SD-CD1 3.85Å; M454-Y476 HydrophobicContact SD-CE1 3.95Å; M454-V477 HydrophobicContact CB-CG2 3.73Å; M454-V477 HydrophobicContact CE-CG2 4.46Å; M454-V477 HydrophobicContact SD-CG2 4.41Å
455V94.9Very high92.5Very high12 Ų1253.5 Ų53.57%0.07325%0.253CS..Hα-helixtrans-64.7-51.2172.6173.30000110.7S451 H452 L453 M457 G458 E459 L474 V477 Y481 I493S451-V455 WeakPolarHBondContact O-CG2 3.4Å; S451-V455 PolarHBondContact O-N 3.12Å; H452-V455 WeakPolarHBondContact O-CB 3.37Å; H452-V455 PolarHBondContact O-N 2.88Å; L453-V455 VanDerWaalsContact C-N 3.3Å; V455-M457 PolarHBondContact O-N 3.41Å; V455-G458 WeakPolarHBondContact O-CA 3.38Å; V455-G458 PolarHBondContact O-N 3.02Å; V455-E459 HydrophobicContact CG1-CG 4.49Å; V455-E459 WeakPolarHBondContact O-CG 3.13Å; V455-E459 PolarHBondContact O-N 3.33Å; V455-L474 HydrophobicContact CG1-CD2 4.39Å; V455-L474 HydrophobicContact CG2-CD2 4.39Å; V455-V477 HydrophobicContact CG2-CB 4.23Å; V455-V477 HydrophobicContact CG2-CG1 3.73Å; V455-V477 HydrophobicContact CG2-CG2 4.31Å; V455-Y481 HydrophobicContact CG2-CE2 4.3Å; V455-I493 HydrophobicContact CB-CG2 4.48Å; V455-I493 HydrophobicContact CG1-CG2 3.68Å; V455-I493 HydrophobicContact CG2-CG2 3.89Å
456Q94.4Very high92.5Very high32 Ų3247 Ų4715%0.1523%0.227CC..Hα-helixtrans-56.3-39.4176-70.1-174.1-25.800112.1L434 H452 L453 E459 E460L434-Q456 HydrophobicContact CD1-CB 3.95Å; L434-Q456 HydrophobicContact CD2-CB 4.45Å; H452-Q456 PolarHBondContact NE2-NE2 2.93Å; H452-Q456 PolarHBondContact O-N 3.02Å; H452-Q456 VanDerWaalsContact O-N 3.12Å; L453-Q456 PolarHBondContact O-N 3.36Å; Q456-E459 PolarHBondContact O-N 3.28Å; Q456-E460 WeakPolarHBondContact O-CG 3.16Å; Q456-E460 PolarHBondContact O-N 3.37Å
457M94.9Very high92.6Very high13 Ų1347.7 Ų47.76%0.06423%0.227CC..Hα-helixtrans-68.8-38.9176.9-167.9171.165.400111.6I431 L434 L453 M454 V455 E460 Y461 L473I431-M457 HydrophobicContact CG1-CG 4.3Å; I431-M457 HydrophobicContact CG2-CG 4.09Å; I431-M457 HydrophobicContact CG2-SD 4.24Å; L434-M457 HydrophobicContact CB-CB 4.2Å; L434-M457 HydrophobicContact CB-CG 4.33Å; L434-M457 HydrophobicContact CB-SD 4.34Å; L434-M457 HydrophobicContact CD1-CB 3.96Å; L453-M457 VanDerWaalsContact O-CB 3.3Å; L453-M457 WeakPolarHBondContact O-CB 3.39Å; L453-M457 PolarHBondContact O-N 2.99Å; M454-M457 PolarHBondContact O-N 3.46Å; V455-M457 PolarHBondContact O-N 3.41Å; M457-E460 PolarHBondContact O-N 3.42Å; M457-Y461 HydrophobicContact CG-CD2 4.02Å; M457-Y461 HydrophobicContact CG-CE2 3.73Å; M457-Y461 WeakPolarHBondContact O-CD2 3.38Å; M457-Y461 PolarHBondContact O-N 3.43Å; M457-Y461 HydrophobicContact SD-CE2 4.29Å; M457-L473 HydrophobicContact CE-CD1 3.59Å; M457-L473 HydrophobicContact CE-CD2 3.65Å; M457-L473 HydrophobicContact CE-CG 4.29Å; M457-L473 HydrophobicContact CG-CD1 4.28Å
458G94.3Very high92.8Very high0 Ų047.5 Ų47.50%023%0.225CC..Hα-helixtrans-62.1-42173.600000112.7M454 V455 Y461 Y462 A470M454-G458 PolarHBondContact O-N 3.5Å; V455-G458 WeakPolarHBondContact O-CA 3.38Å; V455-G458 PolarHBondContact O-N 3.02Å; G458-Y461 PolarHBondContact O-N 3.01Å; G458-Y462 PolarHBondContact O-N 3.21Å; G458-A470 WeakPolarHBondContact O-CB 3.13Å
459E92.7Very high92.8Very high76 Ų7644.8 Ų44.836%0.35522%0.217SC..Hα-helixtrans-62.1-41.3173.3-69169.8170.300111.5V455 Q456 Y462 H463V455-E459 HydrophobicContact CG1-CG 4.49Å; V455-E459 WeakPolarHBondContact O-CG 3.13Å; V455-E459 PolarHBondContact O-N 3.33Å; Q456-E459 PolarHBondContact O-N 3.28Å; E459-Y462 WeakPolarHBondContact O-CB 3.37Å; E459-Y462 PolarHBondContact O-N 3.09Å; E459-H463 PolarHBondContact O-CD2 3Å; E459-H463 PolarHBondContact O-N 2.77Å
460E93.6Very high93Very high12 Ų1242 Ų426%0.05620%0.204CC..Hα-helixtrans-68.3-35.6175.1-70.2-65.8167.300113Q358 K361 S427 I430 I431 Q456 M457 Y462 H463 A464Q358-E460 PolarHBondContact NE2-OE1 3.17Å; K361-E460 IonicContact NZ-OE2 2.71Å; K361-E460 PolarHBondContact NZ-OE2 3.18Å; S427-E460 PolarHBondContact OG-OE2 3.14Å; I430-E460 HydrophobicContact CB-CG 4.34Å; I430-E460 HydrophobicContact CG2-CG 3.75Å; I431-E460 HydrophobicContact CD1-CB 4.13Å; I431-E460 HydrophobicContact CG1-CB 3.74Å; Q456-E460 WeakPolarHBondContact O-CG 3.16Å; Q456-E460 PolarHBondContact O-N 3.37Å; M457-E460 PolarHBondContact O-N 3.42Å; E460-Y462 VanDerWaalsContact C-N 3.32Å; E460-H463 PolarHBondContact O-N 3.27Å; E460-A464 WeakPolarHBondContact O-CB 3.46Å; E460-A464 PolarHBondContact O-N 3.01Å
461Y93.9Very high92.9Very high47 Ų4741.1 Ų41.118%0.18420%0.2CC..Hα-helixtrans-64.1-37.7171.3-83.5-63.8000111.9I431 M457 G458 A464 K465 D466 K469 L473I431-Y461 HydrophobicContact CD1-CD1 3.69Å; I431-Y461 HydrophobicContact CD1-CD2 4.3Å; I431-Y461 HydrophobicContact CD1-CE1 3.78Å; I431-Y461 HydrophobicContact CD1-CE2 4.37Å; I431-Y461 HydrophobicContact CD1-CG 3.97Å; I431-Y461 HydrophobicContact CG1-CD2 4.5Å; I431-Y461 HydrophobicContact CG1-CE2 4.41Å; I431-Y461 HydrophobicContact CG2-CE1 4.12Å; I431-Y461 HydrophobicContact CG2-CE2 3.8Å; I431-Y461 VanDerWaalsContact CG2-CZ 3.49Å; I431-Y461 WeakPolarHBondContact CG2-OH 3.32Å; M457-Y461 HydrophobicContact CG-CD2 4.02Å; M457-Y461 HydrophobicContact CG-CE2 3.73Å; M457-Y461 WeakPolarHBondContact O-CD2 3.38Å; M457-Y461 PolarHBondContact O-N 3.43Å; M457-Y461 HydrophobicContact SD-CE2 4.29Å; G458-Y461 PolarHBondContact O-N 3.01Å; Y461-A464 CarbonylContact O-C 3.51Å; Y461-A464 PolarHBondContact O-N 3.35Å; Y461-K465 PolarHBondContact O-N 2.96Å; Y461-D466 HydrophobicContact CD1-CB 4.08Å; Y461-D466 PolarHBondContact O-N 3.21Å; Y461-K469 HydrophobicContact CD1-CB 3.93Å; Y461-K469 HydrophobicContact CD1-CD 4.14Å; Y461-K469 HydrophobicContact CD2-CB 4.31Å; Y461-K469 HydrophobicContact CE1-CB 4.1Å; Y461-K469 HydrophobicContact CE1-CD 3.57Å; Y461-K469 HydrophobicContact CE2-CB 4.48Å; Y461-K469 HydrophobicContact CG-CB 4.03Å; Y461-L473 HydrophobicContact CD2-CD1 3.44Å; Y461-L473 VanDerWaalsContact CD2-CD1 3.44Å; Y461-L473 HydrophobicContact CE2-CD1 3.5Å
462Y91.8Very high92.9Very high35 Ų3548.1 Ų48.114%0.13723%0.23CC..Hα-helixtrans-59.9-46.7171.9172.8-97.5000111.2G458 E459 E460 A464 K465 Y467 T496 H499 C500 L503G458-Y462 PolarHBondContact O-N 3.21Å; E459-Y462 WeakPolarHBondContact O-CB 3.37Å; E459-Y462 PolarHBondContact O-N 3.09Å; E460-Y462 VanDerWaalsContact C-N 3.32Å; Y462-A464 VanDerWaalsContact C-N 3.3Å; Y462-A464 PolarHBondContact O-N 3.48Å; Y462-K465 PolarHBondContact O-N 3.29Å; Y462-Y467 AromaticContact CD2-CD1 3.76Å; Y462-Y467 HydrophobicContact CD2-CD1 3.76Å; Y462-Y467 AromaticContact CD2-CE1 3.75Å; Y462-Y467 HydrophobicContact CD2-CE1 3.75Å; Y462-Y467 HydrophobicContact CE2-CD1 4.21Å; Y462-Y467 AromaticContact CE2-CE1 3.91Å; Y462-Y467 HydrophobicContact CE2-CE1 3.91Å; Y462-T496 HydrophobicContact CG-CG2 4.47Å; Y462-H499 HydrophobicContact CE2-CB 4.06Å; Y462-C500 WeakPolarHBondContact CD2-SG 3.3Å; Y462-L503 HydrophobicContact CE2-CD1 3.81Å
463H88.9Confident92.9Very high114 Ų11445.8 Ų45.853%0.52822%0.22SC..Hα-helixtrans-65.6-30.7175.5-67.9-51.5000113.7E459 E460 K465E459-H463 PolarHBondContact O-CD2 3Å; E459-H463 PolarHBondContact O-N 2.77Å; E460-H463 PolarHBondContact O-N 3.27Å; H463-K465 PolarHBondContact O-N 2.7Å
464A89.8Confident92.8Very high44 Ų4445.8 Ų45.836%0.36422%0.22SC..THydrogen-bonded Turntrans-76.82172.800000113.6E460 Y461 Y462 D466E460-A464 WeakPolarHBondContact O-CB 3.46Å; E460-A464 PolarHBondContact O-N 3.01Å; Y461-A464 CarbonylContact O-C 3.51Å; Y461-A464 PolarHBondContact O-N 3.35Å; Y462-A464 VanDerWaalsContact C-N 3.3Å; Y462-A464 PolarHBondContact O-N 3.48Å; A464-D466 PolarHBondContact O-N 2.71Å
465K90.2Very high92.5Very high118 Ų11847.6 Ų47.651%0.51323%0.23SC..THydrogen-bonded Turntrans62.317.9-176.6-51.4-173.2177.8-166.20114.7Y461 Y462 H463 Y467Y461-K465 PolarHBondContact O-N 2.96Å; Y462-K465 PolarHBondContact O-N 3.29Å; H463-K465 PolarHBondContact O-N 2.7Å; K465-Y467 HydrophobicContact CB-CE2 4.35Å; K465-Y467 PolarHBondContact O-N 3.16Å
466D91.9Very high92.3Very high43 Ų4352.6 Ų52.623%0.2325%0.249CC..  trans-94.771.6171.5-168.9-21.5000109.7Y461 A464 T468 K469 A470Y461-D466 HydrophobicContact CD1-CB 4.08Å; Y461-D466 PolarHBondContact O-N 3.21Å; A464-D466 PolarHBondContact O-N 2.71Å; D466-T468 PolarHBondContact O-N 2.97Å; D466-K469 PolarHBondContact O-N 2.86Å; D466-K469 WeakPolarHBondContact OD1-CG 3.49Å; D466-K469 PolarHBondContact OD1-N 2.95Å; D466-K469 WeakPolarHBondContact OD2-CD 3.46Å; D466-K469 VanDerWaalsContact OD2-CE 3.22Å; D466-K469 WeakPolarHBondContact OD2-CE 3.2Å; D466-K469 IonicContact OD2-NZ 3.82Å; D466-K469 PolarHBondContact OD2-NZ 2.85Å; D466-A470 PolarHBondContact O-N 2.84Å; D466-A470 VanDerWaalsContact O-N 3.14Å
467Y92.6Very high92.2Very high34 Ų3451.1 Ų51.113%0.13324%0.241CC..Hα-helixtrans-63.6-28.2-174.8-53.2-56.4000113Y462 K465 A470 L471 L503 M504Y462-Y467 AromaticContact CD2-CD1 3.76Å; Y462-Y467 HydrophobicContact CD2-CD1 3.76Å; Y462-Y467 AromaticContact CD2-CE1 3.75Å; Y462-Y467 HydrophobicContact CD2-CE1 3.75Å; Y462-Y467 HydrophobicContact CE2-CD1 4.21Å; Y462-Y467 AromaticContact CE2-CE1 3.91Å; Y462-Y467 HydrophobicContact CE2-CE1 3.91Å; K465-Y467 HydrophobicContact CB-CE2 4.35Å; K465-Y467 PolarHBondContact O-N 3.16Å; Y467-A470 PolarHBondContact O-N 3.38Å; Y467-L471 PolarHBondContact O-N 2.97Å; Y467-L503 HydrophobicContact CD1-CD1 4.23Å; Y467-L503 HydrophobicContact CD2-CB 4.17Å; Y467-L503 HydrophobicContact CE1-CD1 3.57Å; Y467-L503 HydrophobicContact CE2-CB 3.99Å; Y467-L503 HydrophobicContact CE2-CD1 4.27Å; Y467-M504 VanDerWaalsContact CB-SD 3.55Å; Y467-M504 HydrophobicContact CD2-CG 4.07Å; Y467-M504 HydrophobicContact CG-CG 4.21Å
468T93.1Very high92.1Very high73 Ų7350.5 Ų50.545%0.44824%0.238SC..Hα-helixtrans-68.9-44.3179.4-51.60000111.6D466 K472 M504D466-T468 PolarHBondContact O-N 2.97Å; T468-K472 WeakPolarHBondContact O-CG 3.47Å; T468-K472 PolarHBondContact O-N 3.17Å; T468-M504 PolarHBondContact OG1-SD 3.38Å; T468-M504 VanDerWaalsContact OG1-SD 3.4Å
469K92.5Very high91.8Very high103 Ų10353.7 Ų53.745%0.44826%0.26SS..Hα-helixtrans-70.4-35.7175.4-70.7-174-164.3131.10111.9Y461 D466 K472 L473Y461-K469 HydrophobicContact CD1-CB 3.93Å; Y461-K469 HydrophobicContact CD1-CD 4.14Å; Y461-K469 HydrophobicContact CD2-CB 4.31Å; Y461-K469 HydrophobicContact CE1-CB 4.1Å; Y461-K469 HydrophobicContact CE1-CD 3.57Å; Y461-K469 HydrophobicContact CE2-CB 4.48Å; Y461-K469 HydrophobicContact CG-CB 4.03Å; D466-K469 PolarHBondContact O-N 2.86Å; D466-K469 WeakPolarHBondContact OD1-CG 3.49Å; D466-K469 PolarHBondContact OD1-N 2.95Å; D466-K469 WeakPolarHBondContact OD2-CD 3.46Å; D466-K469 VanDerWaalsContact OD2-CE 3.22Å; D466-K469 WeakPolarHBondContact OD2-CE 3.2Å; D466-K469 IonicContact OD2-NZ 3.82Å; D466-K469 PolarHBondContact OD2-NZ 2.85Å; K469-K472 PolarHBondContact O-N 3.49Å; K469-L473 WeakPolarHBondContact O-CG 3.37Å; K469-L473 PolarHBondContact O-N 2.73Å
470A94.3Very high91.5Very high0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-56.8-54.2173.900000111.1G458 D466 Y467 K472 L473 L474G458-A470 WeakPolarHBondContact O-CB 3.13Å; D466-A470 PolarHBondContact O-N 2.84Å; D466-A470 VanDerWaalsContact O-N 3.14Å; Y467-A470 PolarHBondContact O-N 3.38Å; A470-K472 PolarHBondContact O-N 2.84Å; A470-L473 PolarHBondContact O-N 2.71Å; A470-L474 VanDerWaalsContact O-CG 3.29Å; A470-L474 WeakPolarHBondContact O-CG 3.14Å; A470-L474 PolarHBondContact O-N 3.04Å
471L92.6Very high91.4Very high8 Ų852.7 Ų52.74%0.04226%0.256CS..Hα-helixtrans-57.4-48.7178.9-78.3-168.3000112.9Y467 L473 L474 D475 A497 C500 M504 Y513Y467-L471 PolarHBondContact O-N 2.97Å; L471-L473 PolarHBondContact O-N 2.67Å; L471-L474 PolarHBondContact O-N 3.19Å; L471-L474 VanDerWaalsContact O-N 3.11Å; L471-D475 WeakPolarHBondContact O-CB 3.4Å; L471-D475 PolarHBondContact O-N 3.26Å; L471-A497 VanDerWaalsContact CD2-CA 3.49Å; L471-A497 HydrophobicContact CD2-CB 3.5Å; L471-A497 WeakPolarHBondContact CD2-O 3.34Å; L471-C500 HydrophobicContact CD1-CB 4.19Å; L471-C500 HydrophobicContact CD2-CB 3.53Å; L471-C500 HydrophobicContact CG-CB 3.61Å; L471-M504 HydrophobicContact CD1-CE 3.23Å; L471-M504 HydrophobicContact CG-CE 4Å; L471-Y513 HydrophobicContact CD1-CE2 4.45Å; L471-Y513 HydrophobicContact CD2-CE2 3.9Å
472K92.4Very high91.1Very high148 Ų14851 Ų5164%0.64325%0.25SC*.Hα-helixtrans-56.6-38.4-179.5-74.7179.3179.6-178.70113.1T468 K469 A470T468-K472 WeakPolarHBondContact O-CG 3.47Å; T468-K472 PolarHBondContact O-N 3.17Å; K469-K472 PolarHBondContact O-N 3.49Å; A470-K472 PolarHBondContact O-N 2.84Å
473L91.6Very high90.7Very high30 Ų3052.5 Ų52.516%0.15726%0.262CS..Hα-helixtrans-73.3-43.3177.7-72.3167.4000111.8M454 M457 Y461 K469 A470 L471 Y476 V477M454-L473 HydrophobicContact CE-CD2 3.63Å; M457-L473 HydrophobicContact CE-CD1 3.59Å; M457-L473 HydrophobicContact CE-CD2 3.65Å; M457-L473 HydrophobicContact CE-CG 4.29Å; M457-L473 HydrophobicContact CG-CD1 4.28Å; Y461-L473 HydrophobicContact CD2-CD1 3.44Å; Y461-L473 VanDerWaalsContact CD2-CD1 3.44Å; Y461-L473 HydrophobicContact CE2-CD1 3.5Å; K469-L473 WeakPolarHBondContact O-CG 3.37Å; K469-L473 PolarHBondContact O-N 2.73Å; A470-L473 PolarHBondContact O-N 2.71Å; L471-L473 PolarHBondContact O-N 2.67Å; L473-Y476 PolarHBondContact O-N 2.93Å; L473-V477 PolarHBondContact O-N 3.34Å
474L93.2Very high90.6Very high0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-66.2-43.7-179.8-65.5177.9000111.3V455 A470 L471 Y476 V477 M478 I493 T496 A497V455-L474 HydrophobicContact CG1-CD2 4.39Å; V455-L474 HydrophobicContact CG2-CD2 4.39Å; A470-L474 VanDerWaalsContact O-CG 3.29Å; A470-L474 WeakPolarHBondContact O-CG 3.14Å; A470-L474 PolarHBondContact O-N 3.04Å; L471-L474 PolarHBondContact O-N 3.19Å; L471-L474 VanDerWaalsContact O-N 3.11Å; L474-Y476 VanDerWaalsContact C-N 3.27Å; L474-Y476 PolarHBondContact O-N 2.98Å; L474-V477 CarbonylContact O-C 3.59Å; L474-V477 PolarHBondContact O-N 3.31Å; L474-M478 HydrophobicContact CB-CE 3.86Å; L474-M478 VanDerWaalsContact O-CG 3.31Å; L474-M478 WeakPolarHBondContact O-CG 3.11Å; L474-M478 PolarHBondContact O-N 3.1Å; L474-I493 HydrophobicContact CD2-CB 4.24Å; L474-I493 HydrophobicContact CD2-CG2 4.24Å; L474-T496 HydrophobicContact CD1-CG2 3.99Å; L474-A497 HydrophobicContact CD1-CB 4.44Å
475D89.6Confident90.5Very high57 Ų5751.4 Ų51.431%0.30525%0.248SC..Hα-helixtrans-55.9-41.8177.2-79.5-30.6000112.5L471 V477 M478 C479 Y513L471-D475 WeakPolarHBondContact O-CB 3.4Å; L471-D475 PolarHBondContact O-N 3.26Å; D475-V477 VanDerWaalsContact C-N 3.31Å; D475-V477 PolarHBondContact O-N 3.05Å; D475-M478 PolarHBondContact O-N 3.41Å; D475-C479 PolarHBondContact O-N 3.36Å; D475-Y513 VanDerWaalsContact CG-OH 3.27Å; D475-Y513 PolarHBondContact OD1-OH 3.31Å; D475-Y513 PolarHBondContact OD2-OH 3.15Å
476Y90.4Very high90.5Very high118 Ų11850.8 Ų50.846%0.46324%0.242SC..Hα-helixtrans-60.7-42.5176.4179.1-90.8000111.5K450 M454 L473 L474K450-Y476 VanDerWaalsContact NZ-CE1 3.34Å; K450-Y476 PolarHBondContact NZ-OH 3.38Å; M454-Y476 HydrophobicContact CE-CD1 3.39Å; M454-Y476 HydrophobicContact CE-CE1 4Å; M454-Y476 HydrophobicContact CE-CG 4.02Å; M454-Y476 HydrophobicContact SD-CD1 3.85Å; M454-Y476 HydrophobicContact SD-CE1 3.95Å; L473-Y476 PolarHBondContact O-N 2.93Å; L474-Y476 VanDerWaalsContact C-N 3.27Å; L474-Y476 PolarHBondContact O-N 2.98Å
477V92.8Very high90.5Very high0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-75.6-32.4179.4177.80000112.2M454 V455 L473 L474 D475 C479 D480 Y481 I493M454-V477 HydrophobicContact CB-CG2 3.73Å; M454-V477 HydrophobicContact CE-CG2 4.46Å; M454-V477 HydrophobicContact SD-CG2 4.41Å; V455-V477 HydrophobicContact CG2-CB 4.23Å; V455-V477 HydrophobicContact CG2-CG1 3.73Å; V455-V477 HydrophobicContact CG2-CG2 4.31Å; L473-V477 PolarHBondContact O-N 3.34Å; L474-V477 CarbonylContact O-C 3.59Å; L474-V477 PolarHBondContact O-N 3.31Å; D475-V477 VanDerWaalsContact C-N 3.31Å; D475-V477 PolarHBondContact O-N 3.05Å; V477-C479 PolarHBondContact O-N 3.25Å; V477-D480 WeakPolarHBondContact O-CB 3.29Å; V477-D480 PolarHBondContact O-N 3.41Å; V477-D480 VanDerWaalsContact O-N 3.1Å; V477-Y481 HydrophobicContact CG1-CD1 4.18Å; V477-Y481 HydrophobicContact CG1-CD2 3.94Å; V477-Y481 HydrophobicContact CG1-CE1 3.84Å; V477-Y481 HydrophobicContact CG1-CE2 3.57Å; V477-Y481 HydrophobicContact CG1-CG 4.22Å; V477-Y481 PolarHBondContact O-N 2.93Å; V477-I493 HydrophobicContact CG1-CD1 4.3Å
478M91.7Very high90.5Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-57.5-39177.2-71.9172.5-160.200111.9L474 D475 D480 Y481 R482 L490 I493 L494 A497 Y513L474-M478 HydrophobicContact CB-CE 3.86Å; L474-M478 VanDerWaalsContact O-CG 3.31Å; L474-M478 WeakPolarHBondContact O-CG 3.11Å; L474-M478 PolarHBondContact O-N 3.1Å; D475-M478 PolarHBondContact O-N 3.41Å; M478-D480 VanDerWaalsContact C-N 3.34Å; M478-D480 PolarHBondContact O-N 2.96Å; M478-Y481 PolarHBondContact O-N 3.33Å; M478-R482 WeakPolarHBondContact O-CB 3.09Å; M478-R482 VanDerWaalsContact O-CG 3.25Å; M478-R482 WeakPolarHBondContact O-CG 3.49Å; M478-R482 PolarHBondContact O-N 2.97Å; M478-L490 HydrophobicContact CB-CD1 3.99Å; M478-L490 HydrophobicContact CG-CD1 4Å; M478-I493 HydrophobicContact CB-CD1 4.19Å; M478-I493 HydrophobicContact CE-CG1 4.32Å; M478-I493 HydrophobicContact CG-CD1 3.36Å; M478-I493 HydrophobicContact CG-CG1 3.82Å; M478-L494 HydrophobicContact CE-CD2 4.09Å; M478-L494 HydrophobicContact SD-CD2 3.61Å; M478-L494 HydrophobicContact SD-CG 4.31Å; M478-A497 HydrophobicContact CE-CB 3.28Å; M478-Y513 HydrophobicContact CE-CE1 4.17Å; M478-Y513 HydrophobicContact SD-CE1 3.95Å
479C87.8Confident90.5Very high68 Ų6854.5 Ų54.546%0.45926%0.261SS..Hα-helixtrans-57.5-46175.6-174.30000112.1D475 V477 Y481 R482 T483D475-C479 PolarHBondContact O-N 3.36Å; V477-C479 PolarHBondContact O-N 3.25Å; C479-Y481 PolarHBondContact O-N 3.05Å; C479-R482 PolarHBondContact O-N 3.48Å; C479-T483 WeakPolarHBondContact O-CG2 3.35Å; C479-T483 PolarHBondContact O-N 3.36Å; C479-T483 VanDerWaalsContact O-N 3.15Å; C479-T483 PolarHBondContact O-OG1 2.97Å
480D87.5Confident90.5Very high44 Ų4449.7 Ų49.724%0.23524%0.24CC..Hα-helixtrans-63.1-41.8176.5-67-18.4000110.9S451 V477 M478 T483 E484S451-D480 PolarHBondContact OG-OD2 3.42Å; V477-D480 WeakPolarHBondContact O-CB 3.29Å; V477-D480 PolarHBondContact O-N 3.41Å; V477-D480 VanDerWaalsContact O-N 3.1Å; M478-D480 VanDerWaalsContact C-N 3.34Å; M478-D480 PolarHBondContact O-N 2.96Å; D480-T483 PolarHBondContact O-OG1 3.1Å; D480-E484 WeakPolarHBondContact O-CB 3.41Å; D480-E484 PolarHBondContact O-N 3.43Å
481Y90.9Very high90.5Very high22 Ų2249.9 Ų49.99%0.08624%0.241CC..Hα-helixtrans-73.3-32.5-179.2-69.7-6.6000113.9V455 V477 M478 C479 R485 W486 L489 I493V455-Y481 HydrophobicContact CG2-CE2 4.3Å; V477-Y481 HydrophobicContact CG1-CD1 4.18Å; V477-Y481 HydrophobicContact CG1-CD2 3.94Å; V477-Y481 HydrophobicContact CG1-CE1 3.84Å; V477-Y481 HydrophobicContact CG1-CE2 3.57Å; V477-Y481 HydrophobicContact CG1-CG 4.22Å; V477-Y481 PolarHBondContact O-N 2.93Å; M478-Y481 PolarHBondContact O-N 3.33Å; C479-Y481 PolarHBondContact O-N 3.05Å; Y481-R485 WeakPolarHBondContact O-CA 3.49Å; Y481-R485 PolarHBondContact O-N 2.85Å; Y481-W486 HydrophobicContact CD1-CB 4.26Å; Y481-W486 AromaticContact CD1-CD1 3.98Å; Y481-W486 HydrophobicContact CD1-CG 4.38Å; Y481-W486 HydrophobicContact CG-CB 4.22Å; Y481-W486 PolarHBondContact O-N 3.31Å; Y481-L489 HydrophobicContact CD2-CB 3.82Å; Y481-L489 HydrophobicContact CE1-CD1 4.5Å; Y481-L489 HydrophobicContact CE2-CB 3.66Å; Y481-L489 HydrophobicContact CE2-CD1 4.34Å; Y481-I493 HydrophobicContact CD2-CD1 3.51Å; Y481-I493 HydrophobicContact CD2-CG1 4.42Å; Y481-I493 HydrophobicContact CE2-CD1 3.9Å
482R88.3Confident90.5Very high13 Ų1352 Ų525%0.04926%0.26CS..Hα-helixtrans-61.8-49.4171.4-74.4173.7-168.5119.46.8110.7M478 C479 R485 L490 E516 D581 I583M478-R482 WeakPolarHBondContact O-CB 3.09Å; M478-R482 VanDerWaalsContact O-CG 3.25Å; M478-R482 WeakPolarHBondContact O-CG 3.49Å; M478-R482 PolarHBondContact O-N 2.97Å; C479-R482 PolarHBondContact O-N 3.48Å; R482-R485 PolarHBondContact O-N 2.94Å; R482-L490 HydrophobicContact CG-CD1 4.1Å; R482-L490 HydrophobicContact CG-CD2 3.8Å; R482-E516 WeakPolarHBondContact CD-OE1 3.18Å; R482-E516 IonicContact CZ-OE1 3.7Å; R482-E516 IonicContact CZ-OE2 3.74Å; R482-E516 IonicContact NE-OE1 3.58Å; R482-E516 PolarHBondContact NE-OE1 3.27Å; R482-E516 IonicContact NE-OE2 2.84Å; R482-E516 PolarHBondContact NE-OE2 3.42Å; R482-E516 IonicContact NH2-OE1 3.73Å; R482-E516 IonicContact NH2-OE2 3.86Å; R482-E516 PolarHBondContact NH2-OE2 2.96Å; R482-D581 WeakPolarHBondContact CD-O 3.41Å; R482-I583 HydrophobicContact CB-CD1 4.44Å; R482-I583 HydrophobicContact CG-CD1 4.35Å
483T83.7Confident90.6Very high66 Ų6645.2 Ų45.241%0.40523%0.231SC..Hα-helixtrans-70.8-36.6-17753.20000113.2C479 D480 Q702C479-T483 WeakPolarHBondContact O-CG2 3.35Å; C479-T483 PolarHBondContact O-N 3.36Å; C479-T483 VanDerWaalsContact O-N 3.15Å; C479-T483 PolarHBondContact O-OG1 2.97Å; D480-T483 PolarHBondContact O-OG1 3.1Å; T483-Q702 PolarHBondContact O-NE2 2.87Å; T483-Q702 PolarHBondContact O-OE1 2.72Å
484E86Confident90.7Very high84 Ų8443.9 Ų43.939%0.39322%0.224SC..Hα-helixtrans-87.3-4.8176.1-71.2-167.1-156.600114.3R448 D480 W486R448-E484 IonicContact CZ-OE2 2.85Å; R448-E484 IonicContact NE-OE2 3.24Å; R448-E484 PolarHBondContact NE-OE2 2.65Å; R448-E484 IonicContact NH2-OE2 2.9Å; R448-E484 PolarHBondContact NH2-OE2 2.88Å; D480-E484 WeakPolarHBondContact O-CB 3.41Å; D480-E484 PolarHBondContact O-N 3.43Å; E484-W486 PolarHBondContact OE2-NE1 3.46Å
485R87.4Confident90.7Very high51 Ų5145.6 Ų45.619%0.19223%0.234CC..THydrogen-bonded Turntrans64.237.3178.4-53.3-173.7171.8-163.2-6.7115.9Y481 R482 W487 A699 Q706Y481-R485 WeakPolarHBondContact O-CA 3.49Å; Y481-R485 PolarHBondContact O-N 2.85Å; R482-R485 PolarHBondContact O-N 2.94Å; R485-W487 HydrophobicContact CB-CD2 4.26Å; R485-W487 HydrophobicContact CB-CH2 3.79Å; R485-W487 HydrophobicContact CB-CZ2 3.46Å; R485-W487 VanDerWaalsContact CB-CZ2 3.46Å; R485-W487 HydrophobicContact CB-CZ3 4.31Å; R485-W487 HydrophobicContact CG-CH2 3.64Å; R485-W487 HydrophobicContact CG-CZ2 3.47Å; R485-W487 VanDerWaalsContact CG-CZ2 3.47Å; R485-W487 PolarHBondContact O-N 3.12Å; R485-A699 PolarHBondContact NH2-O 2.91Å; R485-Q706 VanDerWaalsContact NH1-CD 3.34Å
486W90.1Very high90.9Very high105 Ų10544.2 Ų44.240%0.39823%0.228SC..  trans-80.563.9175.1-65.8102.9000111.7Y481 E484 L489 L490Y481-W486 HydrophobicContact CD1-CB 4.26Å; Y481-W486 AromaticContact CD1-CD1 3.98Å; Y481-W486 HydrophobicContact CD1-CG 4.38Å; Y481-W486 HydrophobicContact CG-CB 4.22Å; Y481-W486 PolarHBondContact O-N 3.31Å; E484-W486 PolarHBondContact OE2-NE1 3.46Å; W486-L489 HydrophobicContact CB-CB 4.14Å; W486-L489 HydrophobicContact CB-CD1 4.12Å; W486-L489 HydrophobicContact CB-CG 4.42Å; W486-L489 HydrophobicContact CD2-CD1 4.39Å; W486-L489 HydrophobicContact CE3-CD1 4.27Å; W486-L489 HydrophobicContact CG-CD1 4.35Å; W486-L489 PolarHBondContact O-N 3.38Å; W486-L490 WeakPolarHBondContact O-CB 3.39Å; W486-L490 PolarHBondContact O-N 3.33Å
487W91.2Very high91Very high65 Ų6538.6 Ų38.625%0.24621%0.206CC..Hα-helixtrans-50.7-45.7-171.4-51.2141.3000116R485 L489 L490 T491 A521 T523 I583 A699R485-W487 HydrophobicContact CB-CD2 4.26Å; R485-W487 HydrophobicContact CB-CH2 3.79Å; R485-W487 HydrophobicContact CB-CZ2 3.46Å; R485-W487 VanDerWaalsContact CB-CZ2 3.46Å; R485-W487 HydrophobicContact CB-CZ3 4.31Å; R485-W487 HydrophobicContact CG-CH2 3.64Å; R485-W487 HydrophobicContact CG-CZ2 3.47Å; R485-W487 VanDerWaalsContact CG-CZ2 3.47Å; R485-W487 PolarHBondContact O-N 3.12Å; W487-L489 PolarHBondContact O-N 3.34Å; W487-L490 HydrophobicContact CE3-CD2 4.01Å; W487-L490 HydrophobicContact CZ3-CD2 4.07Å; W487-L490 PolarHBondContact O-N 2.91Å; W487-T491 WeakPolarHBondContact O-CB 3.44Å; W487-T491 PolarHBondContact O-N 3.44Å; W487-T491 PolarHBondContact O-OG1 2.74Å; W487-A521 WeakPolarHBondContact CB-O 3.43Å; W487-A521 HydrophobicContact CD2-CB 4.12Å; W487-A521 HydrophobicContact CE3-CB 3.62Å; W487-A521 HydrophobicContact CH2-CB 4.27Å; W487-A521 HydrophobicContact CZ3-CB 3.72Å; W487-T523 HydrophobicContact CB-CG2 4.11Å; W487-I583 HydrophobicContact CE3-CD1 4.47Å; W487-I583 HydrophobicContact CH2-CD1 3.51Å; W487-I583 HydrophobicContact CZ3-CD1 3.34Å; W487-A699 HydrophobicContact CH2-CB 4.33Å
488P93.7Very high91.1Very high83 Ų8338.7 Ų38.754%0.53921%0.206SC..Hα-helixtrans-65.8-40.1178.6-20.734.3000112.4T491 A492 T523P488-T491 PolarHBondContact O-N 3.48Å; P488-A492 PolarHBondContact O-N 3.38Å; P488-A492 VanDerWaalsContact O-N 3.07Å; P488-T523 HydrophobicContact CG-CG2 4.3Å
489L92.8Very high91.2Very high80 Ų8039.1 Ų39.142%0.41921%0.208SC..Hα-helixtrans-69.6-42.8178.5-62.1179.4000111.1Y481 W486 W487 T491 A492 I493Y481-L489 HydrophobicContact CD2-CB 3.82Å; Y481-L489 HydrophobicContact CE1-CD1 4.5Å; Y481-L489 HydrophobicContact CE2-CB 3.66Å; Y481-L489 HydrophobicContact CE2-CD1 4.34Å; W486-L489 HydrophobicContact CB-CB 4.14Å; W486-L489 HydrophobicContact CB-CD1 4.12Å; W486-L489 HydrophobicContact CB-CG 4.42Å; W486-L489 HydrophobicContact CD2-CD1 4.39Å; W486-L489 HydrophobicContact CE3-CD1 4.27Å; W486-L489 HydrophobicContact CG-CD1 4.35Å; W486-L489 PolarHBondContact O-N 3.38Å; W487-L489 PolarHBondContact O-N 3.34Å; L489-T491 VanDerWaalsContact C-N 3.33Å; L489-T491 PolarHBondContact O-N 2.87Å; L489-A492 PolarHBondContact O-N 2.73Å; L489-I493 WeakPolarHBondContact O-CG1 3.36Å; L489-I493 PolarHBondContact O-N 3.16Å; L489-I493 VanDerWaalsContact O-N 3.07Å
490L92.8Very high91.4Very high1 Ų135.9 Ų35.91%0.00519%0.186CC..Hα-helixtrans-58.9-45.2174.6-178.461.3000110.9M478 R482 W486 W487 A492 I493 L494M478-L490 HydrophobicContact CB-CD1 3.99Å; M478-L490 HydrophobicContact CG-CD1 4Å; R482-L490 HydrophobicContact CG-CD1 4.1Å; R482-L490 HydrophobicContact CG-CD2 3.8Å; W486-L490 WeakPolarHBondContact O-CB 3.39Å; W486-L490 PolarHBondContact O-N 3.33Å; W487-L490 HydrophobicContact CE3-CD2 4.01Å; W487-L490 HydrophobicContact CZ3-CD2 4.07Å; W487-L490 PolarHBondContact O-N 2.91Å; L490-A492 PolarHBondContact O-N 3.41Å; L490-I493 HydrophobicContact CD1-CD1 4.41Å; L490-I493 HydrophobicContact CD1-CG1 4.48Å; L490-I493 VanDerWaalsContact O-CG1 3.31Å; L490-I493 WeakPolarHBondContact O-CG1 3.43Å; L490-I493 PolarHBondContact O-N 3.27Å; L490-L494 HydrophobicContact CD1-CD1 3.94Å; L490-L494 HydrophobicContact CD1-CG 4.06Å; L490-L494 HydrophobicContact CD2-CD1 4.4Å; L490-L494 HydrophobicContact CG-CD1 3.71Å; L490-L494 HydrophobicContact CG-CG 4.29Å; L490-L494 VanDerWaalsContact O-CB 3.25Å; L490-L494 WeakPolarHBondContact O-CB 3.31Å; L490-L494 VanDerWaalsContact O-CG 3.25Å; L490-L494 WeakPolarHBondContact O-CG 3.49Å; L490-L494 PolarHBondContact O-N 2.82Å
491T93.9Very high91.7Very high5 Ų533.8 Ų33.83%0.03118%0.175CC..Hα-helixtrans-61.8-42.7178.2-56.80000111.7W487 P488 L489 T495 L517 S522 T523 L524W487-T491 WeakPolarHBondContact O-CB 3.44Å; W487-T491 PolarHBondContact O-N 3.44Å; W487-T491 PolarHBondContact O-OG1 2.74Å; P488-T491 PolarHBondContact O-N 3.48Å; L489-T491 VanDerWaalsContact C-N 3.33Å; L489-T491 PolarHBondContact O-N 2.87Å; T491-T495 WeakPolarHBondContact O-CB 3.18Å; T491-T495 PolarHBondContact O-N 3.48Å; T491-T495 PolarHBondContact O-OG1 3.11Å; T491-L517 HydrophobicContact CG2-CD2 4.11Å; T491-S522 WeakPolarHBondContact OG1-CA 3.47Å; T491-T523 PolarHBondContact OG1-N 2.88Å; T491-T523 VanDerWaalsContact OG1-N 3.13Å; T491-T523 PolarHBondContact OG1-OG1 2.92Å; T491-L524 HydrophobicContact CG2-CD2 3.74Å; T491-L524 HydrophobicContact CG2-CG 3.68Å
492A93.2Very high91.8Very high53 Ų5332.8 Ų32.844%0.43817%0.171SC..Hα-helixtrans-63.5-46.4178.600000112.4P488 L489 L490 T495 T496P488-A492 PolarHBondContact O-N 3.38Å; P488-A492 VanDerWaalsContact O-N 3.07Å; L489-A492 PolarHBondContact O-N 2.73Å; L490-A492 PolarHBondContact O-N 3.41Å; A492-T495 PolarHBondContact O-N 2.9Å; A492-T496 PolarHBondContact O-N 3.36Å; A492-T496 VanDerWaalsContact O-N 3.11Å; A492-T496 PolarHBondContact O-OG1 3.38Å; A492-T496 VanDerWaalsContact O-OG1 3.13Å
493I94.3Very high91.9Very high4 Ų432.6 Ų32.62%0.02117%0.171CC..Hα-helixtrans-72.9-33.8179.567.4176.6000112.5V455 L474 V477 M478 Y481 L489 L490 T495 T496 A497V455-I493 HydrophobicContact CB-CG2 4.48Å; V455-I493 HydrophobicContact CG1-CG2 3.68Å; V455-I493 HydrophobicContact CG2-CG2 3.89Å; L474-I493 HydrophobicContact CD2-CB 4.24Å; L474-I493 HydrophobicContact CD2-CG2 4.24Å; V477-I493 HydrophobicContact CG1-CD1 4.3Å; M478-I493 HydrophobicContact CB-CD1 4.19Å; M478-I493 HydrophobicContact CE-CG1 4.32Å; M478-I493 HydrophobicContact CG-CD1 3.36Å; M478-I493 HydrophobicContact CG-CG1 3.82Å; Y481-I493 HydrophobicContact CD2-CD1 3.51Å; Y481-I493 HydrophobicContact CD2-CG1 4.42Å; Y481-I493 HydrophobicContact CE2-CD1 3.9Å; L489-I493 WeakPolarHBondContact O-CG1 3.36Å; L489-I493 PolarHBondContact O-N 3.16Å; L489-I493 VanDerWaalsContact O-N 3.07Å; L490-I493 HydrophobicContact CD1-CD1 4.41Å; L490-I493 HydrophobicContact CD1-CG1 4.48Å; L490-I493 VanDerWaalsContact O-CG1 3.31Å; L490-I493 WeakPolarHBondContact O-CG1 3.43Å; L490-I493 PolarHBondContact O-N 3.27Å; I493-T495 VanDerWaalsContact C-N 3.32Å; I493-T496 PolarHBondContact O-N 2.85Å; I493-A497 VanDerWaalsContact O-CB 3.3Å; I493-A497 WeakPolarHBondContact O-CB 3.49Å; I493-A497 PolarHBondContact O-N 3.16Å
494L93.3Very high92.3Very high3 Ų331.8 Ų31.82%0.01616%0.164CC..Hα-helixtrans-64.4-36.9172.2-79.2170.8000111.6M478 L490 A497 L498 Y513 E516 L517M478-L494 HydrophobicContact CE-CD2 4.09Å; M478-L494 HydrophobicContact SD-CD2 3.61Å; M478-L494 HydrophobicContact SD-CG 4.31Å; L490-L494 HydrophobicContact CD1-CD1 3.94Å; L490-L494 HydrophobicContact CD1-CG 4.06Å; L490-L494 HydrophobicContact CD2-CD1 4.4Å; L490-L494 HydrophobicContact CG-CD1 3.71Å; L490-L494 HydrophobicContact CG-CG 4.29Å; L490-L494 VanDerWaalsContact O-CB 3.25Å; L490-L494 WeakPolarHBondContact O-CB 3.31Å; L490-L494 VanDerWaalsContact O-CG 3.25Å; L490-L494 WeakPolarHBondContact O-CG 3.49Å; L490-L494 PolarHBondContact O-N 2.82Å; L494-A497 PolarHBondContact O-N 3.18Å; L494-L498 VanDerWaalsContact O-CB 3.32Å; L494-L498 WeakPolarHBondContact O-CB 3.39Å; L494-L498 PolarHBondContact O-N 3.24Å; L494-Y513 HydrophobicContact CD2-CD1 3.61Å; L494-Y513 HydrophobicContact CD2-CE1 4.24Å; L494-Y513 HydrophobicContact CD2-CG 4.39Å; L494-E516 HydrophobicContact CD1-CB 4.29Å; L494-E516 HydrophobicContact CD1-CG 3.74Å; L494-L517 HydrophobicContact CB-CD1 4.28Å; L494-L517 HydrophobicContact CB-CD2 3.54Å; L494-L517 HydrophobicContact CB-CG 3.86Å; L494-L517 HydrophobicContact CD1-CD2 4.18Å; L494-L517 HydrophobicContact CD1-CG 4.46Å
495T93.7Very high92.5Very high36 Ų3627.9 Ų27.922%0.22115%0.146CC..Hα-helixtrans-64-45.3174.6-56.50000110.6T491 A492 I493 A497 L498 H499T491-T495 WeakPolarHBondContact O-CB 3.18Å; T491-T495 PolarHBondContact O-N 3.48Å; T491-T495 PolarHBondContact O-OG1 3.11Å; A492-T495 PolarHBondContact O-N 2.9Å; I493-T495 VanDerWaalsContact C-N 3.32Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.4Å; T495-L498 WeakPolarHBondContact O-CB 3.21Å; T495-L498 PolarHBondContact O-N 2.91Å; T495-H499 PolarHBondContact O-CD2 3.04Å; T495-H499 VanDerWaalsContact O-CD2 3.3Å; T495-H499 VanDerWaalsContact O-CG 3.3Å; T495-H499 PolarHBondContact O-N 3.35Å
496T92.9Very high92.7Very high27 Ų2726.9 Ų26.917%0.16615%0.146CC..Hα-helixtrans-63.4-39.5175.8-53.70000111.7Y462 L474 A492 I493 H499 C500Y462-T496 HydrophobicContact CG-CG2 4.47Å; L474-T496 HydrophobicContact CD1-CG2 3.99Å; A492-T496 PolarHBondContact O-N 3.36Å; A492-T496 VanDerWaalsContact O-N 3.11Å; A492-T496 PolarHBondContact O-OG1 3.38Å; A492-T496 VanDerWaalsContact O-OG1 3.13Å; I493-T496 PolarHBondContact O-N 2.85Å; T496-H499 WeakPolarHBondContact O-CB 3.46Å; T496-H499 PolarHBondContact O-N 2.89Å; T496-C500 PolarHBondContact O-N 2.78Å; T496-C500 PolarHBondContact O-SG 3Å
497A94.1Very high92.7Very high0 Ų022.7 Ų22.70%013%0.132CC..Hα-helixtrans-69-37.6176.600000112.7L471 L474 M478 I493 L494 T495 H499 C500 A501 Y513L471-A497 VanDerWaalsContact CD2-CA 3.49Å; L471-A497 HydrophobicContact CD2-CB 3.5Å; L471-A497 WeakPolarHBondContact CD2-O 3.34Å; L474-A497 HydrophobicContact CD1-CB 4.44Å; M478-A497 HydrophobicContact CE-CB 3.28Å; I493-A497 VanDerWaalsContact O-CB 3.3Å; I493-A497 WeakPolarHBondContact O-CB 3.49Å; I493-A497 PolarHBondContact O-N 3.16Å; L494-A497 PolarHBondContact O-N 3.18Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.4Å; A497-H499 VanDerWaalsContact C-N 3.31Å; A497-H499 PolarHBondContact O-N 3Å; A497-C500 WeakPolarHBondContact O-CB 3.27Å; A497-C500 PolarHBondContact O-N 3.33Å; A497-A501 WeakPolarHBondContact O-CB 3.38Å; A497-A501 PolarHBondContact O-N 2.71Å; A497-Y513 HydrophobicContact CB-CD2 4.02Å; A497-Y513 HydrophobicContact CB-CE1 4.26Å; A497-Y513 HydrophobicContact CB-CE2 3.71Å; A497-Y513 HydrophobicContact CB-CG 4.43Å
498L93.9Very high92.6Very high2 Ų224.7 Ų24.71%0.0114%0.143CC..Hα-helixtrans-58.7-44171.4-17475.2000110.7L494 T495 A501 Y502 Y510 C514 L517 I532 E548L494-L498 VanDerWaalsContact O-CB 3.32Å; L494-L498 WeakPolarHBondContact O-CB 3.39Å; L494-L498 PolarHBondContact O-N 3.24Å; T495-L498 WeakPolarHBondContact O-CB 3.21Å; T495-L498 PolarHBondContact O-N 2.91Å; L498-A501 PolarHBondContact O-N 3.48Å; L498-Y502 WeakPolarHBondContact O-CB 3.37Å; L498-Y502 PolarHBondContact O-N 3.44Å; L498-Y510 HydrophobicContact CD1-CD2 3.51Å; L498-Y510 HydrophobicContact CD1-CE2 3.45Å; L498-Y510 VanDerWaalsContact CD1-CE2 3.45Å; L498-Y510 HydrophobicContact CD1-CG 4.25Å; L498-Y510 HydrophobicContact CG-CD2 4.18Å; L498-Y510 HydrophobicContact CG-CE2 3.84Å; L498-C514 VanDerWaalsContact CD1-SG 3.59Å; L498-L517 HydrophobicContact CB-CD1 4.06Å; L498-L517 HydrophobicContact CD2-CD1 3.83Å; L498-L517 HydrophobicContact CG-CD1 4.38Å; L498-I532 HydrophobicContact CD2-CD1 4.35Å; L498-I532 HydrophobicContact CD2-CG1 4.31Å; L498-E548 HydrophobicContact CD2-CG 4.22Å; L498-E548 HydrophobicContact CG-CG 4.38Å
499H93.1Very high92.5Very high10 Ų1023 Ų235%0.04613%0.129CC..Hα-helixtrans-61.8-45.2175.2-61.7172.1000111.6Y462 T495 T496 A497 A501 Y502 L503 E548 S549Y462-H499 HydrophobicContact CE2-CB 4.06Å; T495-H499 PolarHBondContact O-CD2 3.04Å; T495-H499 VanDerWaalsContact O-CD2 3.3Å; T495-H499 VanDerWaalsContact O-CG 3.3Å; T495-H499 PolarHBondContact O-N 3.35Å; T496-H499 WeakPolarHBondContact O-CB 3.46Å; T496-H499 PolarHBondContact O-N 2.89Å; A497-H499 VanDerWaalsContact C-N 3.31Å; A497-H499 PolarHBondContact O-N 3Å; H499-A501 PolarHBondContact O-N 3.32Å; H499-Y502 PolarHBondContact O-N 3.01Å; H499-L503 WeakPolarHBondContact O-CB 3.42Å; H499-L503 VanDerWaalsContact O-CG 3.27Å; H499-L503 WeakPolarHBondContact O-CG 3.38Å; H499-L503 PolarHBondContact O-N 3.33Å; H499-E548 VanDerWaalsContact CD2-CB 3.44Å; H499-E548 WeakPolarHBondContact CD2-CB 3.43Å; H499-S549 PolarHBondContact CE1-O 2.96Å; H499-S549 PolarHBondContact NE2-O 2.9Å
500C93.1Very high92.5Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-60.1-45.7175.6-63.40000111.9Y462 L471 T496 A497 Y502 L503 M504Y462-C500 WeakPolarHBondContact CD2-SG 3.3Å; L471-C500 HydrophobicContact CD1-CB 4.19Å; L471-C500 HydrophobicContact CD2-CB 3.53Å; L471-C500 HydrophobicContact CG-CB 3.61Å; T496-C500 PolarHBondContact O-N 2.78Å; T496-C500 PolarHBondContact O-SG 3Å; A497-C500 WeakPolarHBondContact O-CB 3.27Å; A497-C500 PolarHBondContact O-N 3.33Å; C500-Y502 VanDerWaalsContact C-N 3.34Å; C500-Y502 PolarHBondContact O-N 3.37Å; C500-L503 PolarHBondContact O-N 3.24Å; C500-M504 WeakPolarHBondContact O-CG 3.44Å; C500-M504 PolarHBondContact O-N 2.89Å
501A93.3Very high92.5Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-64-39.7179.700000111.7A497 L498 H499 A505 S506 D509 Y510 Y513A497-A501 WeakPolarHBondContact O-CB 3.38Å; A497-A501 PolarHBondContact O-N 2.71Å; L498-A501 PolarHBondContact O-N 3.48Å; H499-A501 PolarHBondContact O-N 3.32Å; A501-A505 PolarHBondContact O-N 2.96Å; A501-A505 VanDerWaalsContact O-N 3.09Å; A501-S506 PolarHBondContact O-N 3.42Å; A501-D509 HydrophobicContact CB-CB 4.13Å; A501-Y510 HydrophobicContact CB-CD2 4.33Å; A501-Y513 HydrophobicContact CB-CD2 4.01Å; A501-Y513 HydrophobicContact CB-CE2 4.1Å
502Y92.9Very high92.4Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-61.9-49.6172.1176.7-94.3000111.6L498 H499 C500 M504 A505 Y510 P545 A547 E548 A559 W563L498-Y502 WeakPolarHBondContact O-CB 3.37Å; L498-Y502 PolarHBondContact O-N 3.44Å; H499-Y502 PolarHBondContact O-N 3.01Å; C500-Y502 VanDerWaalsContact C-N 3.34Å; C500-Y502 PolarHBondContact O-N 3.37Å; Y502-M504 PolarHBondContact O-N 3.4Å; Y502-A505 PolarHBondContact O-N 2.91Å; Y502-Y510 HydrophobicContact CD2-CE2 4.26Å; Y502-P545 HydrophobicContact CD2-CG 4.19Å; Y502-P545 HydrophobicContact CE2-CB 4.47Å; Y502-P545 HydrophobicContact CE2-CG 4.04Å; Y502-A547 HydrophobicContact CE1-CB 4.39Å; Y502-A547 WeakPolarHBondContact OH-CA 3.44Å; Y502-E548 HydrophobicContact CG-CG 4.3Å; Y502-A559 HydrophobicContact CD1-CB 4.35Å; Y502-A559 HydrophobicContact CE1-CB 3.94Å; Y502-W563 HydrophobicContact CD2-CZ2 4.42Å; Y502-W563 AromaticContact CD2-NE1 3.55Å; Y502-W563 AromaticContact CE2-NE1 3.8Å; Y502-W563 PolarHBondContact O-NE1 3.08Å
503L91.6Very high92.4Very high10 Ų1016.9 Ų16.95%0.0529%0.089CC..Hα-helixtrans-65.3-28.1-177.3-69.6170.9000113.1Y462 Y467 H499 C500 A559Y462-L503 HydrophobicContact CE2-CD1 3.81Å; Y467-L503 HydrophobicContact CD1-CD1 4.23Å; Y467-L503 HydrophobicContact CD2-CB 4.17Å; Y467-L503 HydrophobicContact CE1-CD1 3.57Å; Y467-L503 HydrophobicContact CE2-CB 3.99Å; Y467-L503 HydrophobicContact CE2-CD1 4.27Å; H499-L503 WeakPolarHBondContact O-CB 3.42Å; H499-L503 VanDerWaalsContact O-CG 3.27Å; H499-L503 WeakPolarHBondContact O-CG 3.38Å; H499-L503 PolarHBondContact O-N 3.33Å; C500-L503 PolarHBondContact O-N 3.24Å; L503-A559 HydrophobicContact CD2-CB 4.06Å
504M91.4Very high92.3Very high49 Ų4916.7 Ų16.724%0.2419%0.088CC..THydrogen-bonded Turntrans-89.7-5.3174.4-65.6-166.4-59.500114.4Y467 T468 L471 C500 Y502 S506Y467-M504 VanDerWaalsContact CB-SD 3.55Å; Y467-M504 HydrophobicContact CD2-CG 4.07Å; Y467-M504 HydrophobicContact CG-CG 4.21Å; T468-M504 PolarHBondContact OG1-SD 3.38Å; T468-M504 VanDerWaalsContact OG1-SD 3.4Å; L471-M504 HydrophobicContact CD1-CE 3.23Å; L471-M504 HydrophobicContact CG-CE 4Å; C500-M504 WeakPolarHBondContact O-CG 3.44Å; C500-M504 PolarHBondContact O-N 2.89Å; Y502-M504 PolarHBondContact O-N 3.4Å; M504-S506 PolarHBondContact O-N 3.01Å
505A90.8Very high92.2Very high2 Ų216.7 Ų16.72%0.0179%0.088CC..THydrogen-bonded Turntrans50.639.7-168.600000113.6A501 Y502 V507 L562 W563 R566A501-A505 PolarHBondContact O-N 2.96Å; A501-A505 VanDerWaalsContact O-N 3.09Å; Y502-A505 PolarHBondContact O-N 2.91Å; A505-V507 PolarHBondContact O-N 3.07Å; A505-L562 HydrophobicContact CB-CB 3.72Å; A505-W563 HydrophobicContact CB-CD2 3.96Å; A505-W563 HydrophobicContact CB-CG 3.87Å; A505-R566 HydrophobicContact CB-CG 4.22Å
506S91.6Very high92.2Very high30 Ų3015.1 Ų15.121%0.218%0.078CC..  trans-81.397.2175-1750000110.1A501 M504 K508 D509 Y510A501-S506 PolarHBondContact O-N 3.42Å; M504-S506 PolarHBondContact O-N 3.01Å; S506-K508 PolarHBondContact O-N 3.29Å; S506-D509 WeakPolarHBondContact CB-OD2 3.38Å; S506-D509 PolarHBondContact OG-OD2 3.29Å; S506-Y510 WeakPolarHBondContact O-CB 3.41Å; S506-Y510 PolarHBondContact O-N 2.85Å
507V89.3Confident92.2Very high16 Ų1613.8 Ų13.810%0.0977%0.07CC..Hα-helixtrans-64.2-41.6-172.8-171.40000112.7A505 V511 V539 W563 M567A505-V507 PolarHBondContact O-N 3.07Å; V507-V511 HydrophobicContact CG1-CG2 4.23Å; V507-V511 WeakPolarHBondContact O-CB 3.46Å; V507-V511 VanDerWaalsContact O-CG2 3.26Å; V507-V511 WeakPolarHBondContact O-CG2 3.47Å; V507-V511 PolarHBondContact O-N 2.88Å; V507-V539 HydrophobicContact CG1-CG1 3.66Å; V507-W563 HydrophobicContact CG1-CZ3 4.47Å; V507-W563 HydrophobicContact CG2-CH2 4.27Å; V507-W563 HydrophobicContact CG2-CZ3 3.84Å; V507-M567 HydrophobicContact CG2-CE 4.27Å
508K89.8Confident92.1Very high108 Ų10813.9 Ų13.947%0.477%0.07SC..Hα-helixtrans-60.7-54.1-180172.6169.7-175.4-177.80111.3S506 Y510 V511 I512 L575S506-K508 PolarHBondContact O-N 3.29Å; K508-Y510 VanDerWaalsContact C-N 3.34Å; K508-Y510 PolarHBondContact O-N 2.9Å; K508-V511 PolarHBondContact O-N 2.87Å; K508-I512 HydrophobicContact CG-CD1 3.83Å; K508-I512 VanDerWaalsContact O-CG1 3.3Å; K508-I512 WeakPolarHBondContact O-CG1 3.45Å; K508-I512 PolarHBondContact O-N 3.45Å; K508-L575 HydrophobicContact CB-CD1 3.75Å; K508-L575 HydrophobicContact CB-CD2 4.47Å; K508-L575 HydrophobicContact CD-CD1 3.88Å; K508-L575 HydrophobicContact CG-CD1 3.72Å; K508-L575 HydrophobicContact CG-CD2 4.49Å
509D91.1Very high91.8Very high48 Ų4813.8 Ų13.826%0.2577%0.07SC..Hα-helixtrans-66.8-39.6-175.9-53.7-35.7000110.6A501 S506 V511 I512 Y513A501-D509 HydrophobicContact CB-CB 4.13Å; S506-D509 WeakPolarHBondContact CB-OD2 3.38Å; S506-D509 PolarHBondContact OG-OD2 3.29Å; D509-V511 PolarHBondContact O-N 3.37Å; D509-I512 PolarHBondContact O-N 2.95Å; D509-Y513 HydrophobicContact CB-CD2 4.32Å; D509-Y513 HydrophobicContact CB-CE2 3.77Å; D509-Y513 WeakPolarHBondContact O-CD2 3.3Å; D509-Y513 VanDerWaalsContact O-CG 3.23Å; D509-Y513 PolarHBondContact O-N 3.08Å
510Y93.1Very high91.5Very high0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-60-47.5176.2-172.3-99.6000111.8L498 A501 Y502 S506 K508 I512 Y513 C514 N535 V539 P545 E548 W563L498-Y510 HydrophobicContact CD1-CD2 3.51Å; L498-Y510 HydrophobicContact CD1-CE2 3.45Å; L498-Y510 VanDerWaalsContact CD1-CE2 3.45Å; L498-Y510 HydrophobicContact CD1-CG 4.25Å; L498-Y510 HydrophobicContact CG-CD2 4.18Å; L498-Y510 HydrophobicContact CG-CE2 3.84Å; A501-Y510 HydrophobicContact CB-CD2 4.33Å; Y502-Y510 HydrophobicContact CD2-CE2 4.26Å; S506-Y510 WeakPolarHBondContact O-CB 3.41Å; S506-Y510 PolarHBondContact O-N 2.85Å; K508-Y510 VanDerWaalsContact C-N 3.34Å; K508-Y510 PolarHBondContact O-N 2.9Å; Y510-I512 PolarHBondContact O-N 2.94Å; Y510-Y513 PolarHBondContact O-N 3.23Å; Y510-C514 WeakPolarHBondContact O-CB 3.37Å; Y510-C514 PolarHBondContact O-N 2.92Å; Y510-C514 PolarHBondContact O-SG 2.9Å; Y510-N535 WeakPolarHBondContact OH-CB 3.44Å; Y510-N535 PolarHBondContact OH-ND2 2.71Å; Y510-V539 HydrophobicContact CD1-CG2 4.12Å; Y510-V539 HydrophobicContact CE1-CG2 3.95Å; Y510-P545 HydrophobicContact CE1-CB 4.2Å; Y510-P545 HydrophobicContact CE1-CG 4.34Å; Y510-E548 HydrophobicContact CE2-CG 4.33Å; Y510-E548 PolarHBondContact OH-OE1 3.44Å; Y510-W563 AromaticContact CD1-CH2 3.79Å; Y510-W563 HydrophobicContact CD1-CH2 3.79Å; Y510-W563 HydrophobicContact CD1-CZ2 4.17Å; Y510-W563 HydrophobicContact CD2-CZ2 4.28Å; Y510-W563 HydrophobicContact CE1-CH2 4.43Å; Y510-W563 AromaticContact CG-CH2 3.91Å; Y510-W563 HydrophobicContact CG-CH2 3.91Å; Y510-W563 AromaticContact CG-CZ2 3.97Å; Y510-W563 HydrophobicContact CG-CZ2 3.97Å
511V91.7Very high91.1Very high1 Ų116.8 Ų16.81%0.0068%0.082CC..Hα-helixtrans-60-45.3176.31670000111.1V507 K508 D509 C514 M515 L536 V539 L575 V687V507-V511 HydrophobicContact CG1-CG2 4.23Å; V507-V511 WeakPolarHBondContact O-CB 3.46Å; V507-V511 VanDerWaalsContact O-CG2 3.26Å; V507-V511 WeakPolarHBondContact O-CG2 3.47Å; V507-V511 PolarHBondContact O-N 2.88Å; K508-V511 PolarHBondContact O-N 2.87Å; D509-V511 PolarHBondContact O-N 3.37Å; V511-C514 PolarHBondContact O-N 3.16Å; V511-M515 HydrophobicContact CG1-CE 3.81Å; V511-M515 HydrophobicContact CG1-SD 4.29Å; V511-M515 VanDerWaalsContact O-CG 3.24Å; V511-M515 WeakPolarHBondContact O-CG 3.04Å; V511-M515 PolarHBondContact O-N 3.08Å; V511-L536 HydrophobicContact CB-CD1 4.31Å; V511-L536 HydrophobicContact CG1-CD1 4.01Å; V511-L536 HydrophobicContact CG2-CD1 4.1Å; V511-V539 HydrophobicContact CG2-CG1 3.82Å; V511-L575 HydrophobicContact CB-CD2 4.18Å; V511-L575 HydrophobicContact CG1-CD2 4.04Å; V511-V687 HydrophobicContact CG1-CG1 4.31Å; V511-V687 HydrophobicContact CG1-CG2 4.36Å
512I92.1Very high91Very high5 Ų517.2 Ų17.23%0.0269%0.085CC..Hα-helixtrans-60.5-50.3178.5-68.8168.7000111.4K508 D509 Y510 C514 M515 E516 V577 Y582K508-I512 HydrophobicContact CG-CD1 3.83Å; K508-I512 VanDerWaalsContact O-CG1 3.3Å; K508-I512 WeakPolarHBondContact O-CG1 3.45Å; K508-I512 PolarHBondContact O-N 3.45Å; D509-I512 PolarHBondContact O-N 2.95Å; Y510-I512 PolarHBondContact O-N 2.94Å; I512-C514 PolarHBondContact O-N 3.13Å; I512-M515 HydrophobicContact CG1-CE 4.31Å; I512-M515 PolarHBondContact O-N 3.35Å; I512-E516 PolarHBondContact O-N 3.3Å; I512-V577 HydrophobicContact CD1-CG1 4.2Å; I512-V577 HydrophobicContact CD1-CG2 4.47Å; I512-V577 HydrophobicContact CG1-CG1 3.83Å; I512-V577 HydrophobicContact CG1-CG2 4.1Å; I512-Y582 HydrophobicContact CG2-CD1 3.66Å; I512-Y582 HydrophobicContact CG2-CD2 4.36Å; I512-Y582 HydrophobicContact CG2-CE1 3.39Å; I512-Y582 HydrophobicContact CG2-CE2 4.14Å; I512-Y582 HydrophobicContact CG2-CG 4.14Å
513Y93.3Very high90.9Very high3 Ų321.2 Ų21.21%0.01211%0.11CC..Hα-helixtrans-67.1-35.8-179.2-58.3-39.6000112.4L471 D475 M478 L494 A497 A501 D509 Y510 E516 L517L471-Y513 HydrophobicContact CD1-CE2 4.45Å; L471-Y513 HydrophobicContact CD2-CE2 3.9Å; D475-Y513 VanDerWaalsContact CG-OH 3.27Å; D475-Y513 PolarHBondContact OD1-OH 3.31Å; D475-Y513 PolarHBondContact OD2-OH 3.15Å; M478-Y513 HydrophobicContact CE-CE1 4.17Å; M478-Y513 HydrophobicContact SD-CE1 3.95Å; L494-Y513 HydrophobicContact CD2-CD1 3.61Å; L494-Y513 HydrophobicContact CD2-CE1 4.24Å; L494-Y513 HydrophobicContact CD2-CG 4.39Å; A497-Y513 HydrophobicContact CB-CD2 4.02Å; A497-Y513 HydrophobicContact CB-CE1 4.26Å; A497-Y513 HydrophobicContact CB-CE2 3.71Å; A497-Y513 HydrophobicContact CB-CG 4.43Å; A501-Y513 HydrophobicContact CB-CD2 4.01Å; A501-Y513 HydrophobicContact CB-CE2 4.1Å; D509-Y513 HydrophobicContact CB-CD2 4.32Å; D509-Y513 HydrophobicContact CB-CE2 3.77Å; D509-Y513 WeakPolarHBondContact O-CD2 3.3Å; D509-Y513 VanDerWaalsContact O-CG 3.23Å; D509-Y513 PolarHBondContact O-N 3.08Å; Y510-Y513 PolarHBondContact O-N 3.23Å; Y513-E516 PolarHBondContact O-N 2.92Å; Y513-L517 VanDerWaalsContact O-CB 3.28Å; Y513-L517 WeakPolarHBondContact O-CB 3.1Å; Y513-L517 VanDerWaalsContact O-CG 3.3Å; Y513-L517 WeakPolarHBondContact O-CG 3.44Å; Y513-L517 PolarHBondContact O-N 3.48Å
514C93.3Very high90.8Very high0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-57.6-49.9169.5-750000111L498 Y510 V511 I512 E516 L517 L518 I532 L536L498-C514 VanDerWaalsContact CD1-SG 3.59Å; Y510-C514 WeakPolarHBondContact O-CB 3.37Å; Y510-C514 PolarHBondContact O-N 2.92Å; Y510-C514 PolarHBondContact O-SG 2.9Å; V511-C514 PolarHBondContact O-N 3.16Å; I512-C514 PolarHBondContact O-N 3.13Å; C514-E516 VanDerWaalsContact C-N 3.29Å; C514-E516 PolarHBondContact O-N 3.21Å; C514-L517 PolarHBondContact O-N 3.32Å; C514-L518 WeakPolarHBondContact O-CB 3.35Å; C514-L518 WeakPolarHBondContact O-CG 3.32Å; C514-L518 PolarHBondContact O-N 3.17Å; C514-I532 HydrophobicContact CB-CG2 3.87Å; C514-L536 HydrophobicContact CB-CB 4.12Å; C514-L536 HydrophobicContact CB-CD1 4.06Å; C514-L536 HydrophobicContact CB-CD2 4.34Å; C514-L536 HydrophobicContact CB-CG 4.4Å
515M91.3Very high90.8Very high4 Ų427.2 Ų27.22%0.0214%0.136CC..Hα-helixtrans-61.4-37.2-178.3-70.8-170.4-65.100112.7V511 I512 G519 L536 V577 M579 F585 L689V511-M515 HydrophobicContact CG1-CE 3.81Å; V511-M515 HydrophobicContact CG1-SD 4.29Å; V511-M515 VanDerWaalsContact O-CG 3.24Å; V511-M515 WeakPolarHBondContact O-CG 3.04Å; V511-M515 PolarHBondContact O-N 3.08Å; I512-M515 HydrophobicContact CG1-CE 4.31Å; I512-M515 PolarHBondContact O-N 3.35Å; M515-G519 PolarHBondContact O-N 3.15Å; M515-L536 HydrophobicContact CG-CD2 4.18Å; M515-V577 HydrophobicContact CE-CB 4.29Å; M515-V577 HydrophobicContact CE-CG1 3.96Å; M515-V577 HydrophobicContact CE-CG2 4.08Å; M515-M579 HydrophobicContact CE-CE 4.02Å; M515-M579 HydrophobicContact SD-CE 4.34Å; M515-F585 HydrophobicContact CB-CD1 4.01Å; M515-F585 HydrophobicContact CB-CE1 4.29Å; M515-F585 HydrophobicContact CG-CD1 4.11Å; M515-F585 HydrophobicContact CG-CE1 3.87Å; M515-F585 PolarHBondContact O-N 2.77Å; M515-L689 HydrophobicContact CE-CD2 4.34Å; M515-L689 HydrophobicContact SD-CD2 3.73Å
516E92.1Very high90.5Very high2 Ų233.6 Ų33.61%0.00917%0.165CC..Hα-helixtrans-77.5-40.2179.5-167.2162.8-152.300112.4R482 L494 I512 Y513 C514 L518 G519 I583R482-E516 WeakPolarHBondContact CD-OE1 3.18Å; R482-E516 IonicContact CZ-OE1 3.7Å; R482-E516 IonicContact CZ-OE2 3.74Å; R482-E516 IonicContact NE-OE1 3.58Å; R482-E516 PolarHBondContact NE-OE1 3.27Å; R482-E516 IonicContact NE-OE2 2.84Å; R482-E516 PolarHBondContact NE-OE2 3.42Å; R482-E516 IonicContact NH2-OE1 3.73Å; R482-E516 IonicContact NH2-OE2 3.86Å; R482-E516 PolarHBondContact NH2-OE2 2.96Å; L494-E516 HydrophobicContact CD1-CB 4.29Å; L494-E516 HydrophobicContact CD1-CG 3.74Å; I512-E516 PolarHBondContact O-N 3.3Å; Y513-E516 PolarHBondContact O-N 2.92Å; C514-E516 VanDerWaalsContact C-N 3.29Å; C514-E516 PolarHBondContact O-N 3.21Å; E516-L518 PolarHBondContact O-N 3.42Å; E516-G519 PolarHBondContact O-N 3.02Å; E516-I583 PolarHBondContact OE1-N 2.76Å; E516-I583 VanDerWaalsContact OE1-N 3.13Å
517L92.8Very high90.3Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-67.1-24.2174.8-76171.8000113.3T491 L494 L498 Y513 C514 G519 S522 L524 I532T491-L517 HydrophobicContact CG2-CD2 4.11Å; L494-L517 HydrophobicContact CB-CD1 4.28Å; L494-L517 HydrophobicContact CB-CD2 3.54Å; L494-L517 HydrophobicContact CB-CG 3.86Å; L494-L517 HydrophobicContact CD1-CD2 4.18Å; L494-L517 HydrophobicContact CD1-CG 4.46Å; L498-L517 HydrophobicContact CB-CD1 4.06Å; L498-L517 HydrophobicContact CD2-CD1 3.83Å; L498-L517 HydrophobicContact CG-CD1 4.38Å; Y513-L517 VanDerWaalsContact O-CB 3.28Å; Y513-L517 WeakPolarHBondContact O-CB 3.1Å; Y513-L517 VanDerWaalsContact O-CG 3.3Å; Y513-L517 WeakPolarHBondContact O-CG 3.44Å; Y513-L517 PolarHBondContact O-N 3.48Å; C514-L517 PolarHBondContact O-N 3.32Å; L517-G519 VanDerWaalsContact C-N 3.32Å; L517-S522 WeakPolarHBondContact O-CB 3.49Å; L517-S522 PolarHBondContact O-OG 3.12Å; L517-L524 HydrophobicContact CB-CD1 4.24Å; L517-L524 HydrophobicContact CD2-CD1 3.99Å; L517-I532 HydrophobicContact CB-CD1 4.12Å; L517-I532 HydrophobicContact CD1-CD1 4.15Å
518L92.1Very high90.3Very high1 Ų142.9 Ų42.91%0.00520%0.204CC..THydrogen-bonded Turntrans-77.6-21171.2-72.8171.3000112.7C514 E516 K529 I532 E533 L536 F585C514-L518 WeakPolarHBondContact O-CB 3.35Å; C514-L518 WeakPolarHBondContact O-CG 3.32Å; C514-L518 PolarHBondContact O-N 3.17Å; E516-L518 PolarHBondContact O-N 3.42Å; L518-K529 HydrophobicContact CD2-CB 3.96Å; L518-K529 WeakPolarHBondContact CD2-O 3.44Å; L518-I532 HydrophobicContact CD1-CG2 4.39Å; L518-I532 HydrophobicContact CD2-CB 4.35Å; L518-I532 HydrophobicContact CD2-CG2 4.31Å; L518-I532 HydrophobicContact CG-CG2 4.06Å; L518-E533 HydrophobicContact CD1-CB 4.32Å; L518-E533 HydrophobicContact CD2-CB 4.03Å; L518-L536 HydrophobicContact CD1-CD2 3.83Å; L518-F585 HydrophobicContact CB-CB 3.71Å; L518-F585 HydrophobicContact CB-CD1 4.21Å; L518-F585 HydrophobicContact CB-CG 4.02Å; L518-F585 HydrophobicContact CD1-CD1 4.45Å
519G87.6Confident90.4Very high0 Ų039 Ų390%019%0.187CC..SBendtrans-71.2176.8-174.400000115M515 E516 L517 A521 S522 K529M515-G519 PolarHBondContact O-N 3.15Å; E516-G519 PolarHBondContact O-N 3.02Å; L517-G519 VanDerWaalsContact C-N 3.32Å; G519-A521 VanDerWaalsContact C-N 3.26Å; G519-A521 PolarHBondContact O-N 2.92Å; G519-S522 WeakPolarHBondContact O-CB 3.29Å; G519-S522 PolarHBondContact O-N 2.93Å; G519-K529 PolarHBondContact O-NZ 2.83Å; G519-K529 VanDerWaalsContact O-NZ 3.14Å
520R86.6Confident90.3Very high67 Ų6737.9 Ų37.925%0.25318%0.183SC..THydrogen-bonded Turntrans-64.4-26.5-179.465.8-178.8-177.7-725114.4S522 I583 Q587 D697 E703R520-S522 PolarHBondContact O-N 2.91Å; R520-I583 HydrophobicContact CG-CG2 4.29Å; R520-Q587 VanDerWaalsContact NH1-CD 3.34Å; R520-D697 IonicContact CZ-OD2 2.73Å; R520-D697 IonicContact NH1-OD2 3.94Å; R520-D697 PolarHBondContact NH1-OD2 3.19Å; R520-D697 VanDerWaalsContact NH2-CG 3.32Å; R520-D697 IonicContact NH2-OD1 3.7Å; R520-D697 PolarHBondContact NH2-OD1 3.18Å; R520-D697 VanDerWaalsContact NH2-OD1 3.1Å; R520-D697 IonicContact NH2-OD2 3.67Å; R520-D697 PolarHBondContact NH2-OD2 2.82Å; R520-E703 IonicContact CZ-OE1 3.1Å; R520-E703 IonicContact CZ-OE2 3.58Å; R520-E703 IonicContact NE-OE1 3.43Å; R520-E703 PolarHBondContact NE-OE1 3.36Å; R520-E703 IonicContact NE-OE2 3.71Å; R520-E703 IonicContact NH2-OE1 3.23Å; R520-E703 PolarHBondContact NH2-OE1 3.01Å; R520-E703 IonicContact NH2-OE2 3.04Å; R520-E703 PolarHBondContact NH2-OE2 2.87Å
521A85.6Confident90.2Very high6 Ų641.3 Ų41.35%0.0520%0.196CC..THydrogen-bonded Turntrans-74.8-11.5179.700000113.4W487 G519 I583W487-A521 WeakPolarHBondContact CB-O 3.43Å; W487-A521 HydrophobicContact CD2-CB 4.12Å; W487-A521 HydrophobicContact CE3-CB 3.62Å; W487-A521 HydrophobicContact CH2-CB 4.27Å; W487-A521 HydrophobicContact CZ3-CB 3.72Å; G519-A521 VanDerWaalsContact C-N 3.26Å; G519-A521 PolarHBondContact O-N 2.92Å; A521-I583 HydrophobicContact CB-CB 4.15Å; A521-I583 HydrophobicContact CB-CD1 3.84Å; A521-I583 HydrophobicContact CB-CG2 3.87Å
522S90.3Very high90.3Very high10 Ų1041.5 Ų41.57%0.0720%0.197CC..  trans-86.5129.2-178.2170.10000112.6T491 L517 G519 R520 L524 K529T491-S522 WeakPolarHBondContact OG1-CA 3.47Å; L517-S522 WeakPolarHBondContact O-CB 3.49Å; L517-S522 PolarHBondContact O-OG 3.12Å; G519-S522 WeakPolarHBondContact O-CB 3.29Å; G519-S522 PolarHBondContact O-N 2.93Å; R520-S522 PolarHBondContact O-N 2.91Å; S522-L524 VanDerWaalsContact C-N 3.31Å; S522-L524 WeakPolarHBondContact OG-CG 3.41Å; S522-L524 PolarHBondContact OG-N 2.93Å; S522-K529 PolarHBondContact O-NZ 3.22Å
523T91Very high90.2Very high84 Ų8441.5 Ų41.552%0.51520%0.197SC..  trans-88.910.4177.163.20000113.7W487 P488 T491W487-T523 HydrophobicContact CB-CG2 4.11Å; P488-T523 HydrophobicContact CG-CG2 4.3Å; T491-T523 PolarHBondContact OG1-N 2.88Å; T491-T523 VanDerWaalsContact OG1-N 3.13Å; T491-T523 PolarHBondContact OG1-OG1 2.92Å
524L90.5Very high90.1Very high30 Ų3047.9 Ų47.916%0.15723%0.225CC..  trans-65.3151.3177.7-65.9-179.2000112.4T491 L517 S522 Q528 K529 I532T491-L524 HydrophobicContact CG2-CD2 3.74Å; T491-L524 HydrophobicContact CG2-CG 3.68Å; L517-L524 HydrophobicContact CB-CD1 4.24Å; L517-L524 HydrophobicContact CD2-CD1 3.99Å; S522-L524 VanDerWaalsContact C-N 3.31Å; S522-L524 WeakPolarHBondContact OG-CG 3.41Å; S522-L524 PolarHBondContact OG-N 2.93Å; L524-Q528 HydrophobicContact CB-CB 4.31Å; L524-K529 HydrophobicContact CB-CG 3.99Å; L524-K529 WeakPolarHBondContact O-CE 3.11Å; L524-I532 HydrophobicContact CD1-CD1 3.51Å
525K90.2Very high90Very high155 Ų15547.9 Ų47.967%0.67423%0.225SC*.  trans-70.4156.2173-61-176.4-178.2178.40111E527 Q528 K529K525-E527 VanDerWaalsContact C-N 3.29Å; K525-E527 PolarHBondContact O-N 2.86Å; K525-Q528 PolarHBondContact O-N 3.08Å; K525-Q528 VanDerWaalsContact O-N 3.08Å; K525-K529 PolarHBondContact O-N 3.44Å
526E85.9Confident90Very high135 Ų13547.9 Ų47.963%0.63123%0.225SC*.Hα-helixtrans-59.8-35-178.2-69.4-173.3166.200113.6Q528 K529 S530E526-Q528 PolarHBondContact O-N 3.47Å; E526-K529 PolarHBondContact O-N 3.34Å; E526-S530 WeakPolarHBondContact O-CB 3.35Å; E526-S530 PolarHBondContact O-N 3.04Å; E526-S530 PolarHBondContact O-OG 3.13Å
527E87.7Confident89.8Confident164 Ų16450.5 Ų50.577%0.76624%0.236SC*.Hα-helixtrans-60.5-44174.5-66.2174.3-179.700111.9K525 S530 R531K525-E527 VanDerWaalsContact C-N 3.29Å; K525-E527 PolarHBondContact O-N 2.86Å; E527-S530 PolarHBondContact O-N 3.18Å; E527-R531 PolarHBondContact O-N 2.98Å; E527-R531 VanDerWaalsContact O-N 3.1Å
528Q89.2Confident89.7Confident77 Ų7753.3 Ų53.336%0.3625%0.248SC..Hα-helixtrans-68.9-42.9178.4-65.8174.8-55.700110.8L524 K525 E526 S530 R531 I532L524-Q528 HydrophobicContact CB-CB 4.31Å; K525-Q528 PolarHBondContact O-N 3.08Å; K525-Q528 VanDerWaalsContact O-N 3.08Å; E526-Q528 PolarHBondContact O-N 3.47Å; Q528-S530 VanDerWaalsContact C-N 3.32Å; Q528-S530 PolarHBondContact O-N 3.49Å; Q528-R531 PolarHBondContact O-N 3.33Å; Q528-I532 WeakPolarHBondContact O-CG1 3.4Å; Q528-I532 PolarHBondContact O-N 3.08Å
529K90.3Very high89.5Confident27 Ų2753.3 Ų53.312%0.11725%0.248CC..Hα-helixtrans-59.4-43.3173.9-68.4-167.4-179.8-166.90111.2L518 G519 S522 L524 K525 E526 R531 I532 E533 P614L518-K529 HydrophobicContact CD2-CB 3.96Å; L518-K529 WeakPolarHBondContact CD2-O 3.44Å; G519-K529 PolarHBondContact O-NZ 2.83Å; G519-K529 VanDerWaalsContact O-NZ 3.14Å; S522-K529 PolarHBondContact O-NZ 3.22Å; L524-K529 HydrophobicContact CB-CG 3.99Å; L524-K529 WeakPolarHBondContact O-CE 3.11Å; K525-K529 PolarHBondContact O-N 3.44Å; E526-K529 PolarHBondContact O-N 3.34Å; K529-R531 VanDerWaalsContact C-N 3.31Å; K529-R531 PolarHBondContact O-N 3.24Å; K529-I532 PolarHBondContact O-N 3.43Å; K529-E533 WeakPolarHBondContact O-CB 3.43Å; K529-E533 PolarHBondContact O-N 3.28Å; K529-P614 HydrophobicContact CB-CG 3.85Å
530S90.1Very high89.5Confident25 Ų2553.5 Ų53.518%0.17525%0.249CC..Hα-helixtrans-62.8-35.2177.9-59.20000112.8E526 E527 Q528 K534E526-S530 WeakPolarHBondContact O-CB 3.35Å; E526-S530 PolarHBondContact O-N 3.04Å; E526-S530 PolarHBondContact O-OG 3.13Å; E527-S530 PolarHBondContact O-N 3.18Å; Q528-S530 VanDerWaalsContact C-N 3.32Å; Q528-S530 PolarHBondContact O-N 3.49Å; S530-K534 WeakPolarHBondContact O-CG 3.29Å; S530-K534 PolarHBondContact O-N 3.25Å; S530-K534 VanDerWaalsContact O-N 3.12Å
531R91.4Very high89.5Confident72 Ų7256.3 Ų56.327%0.27227%0.267SS..Hα-helixtrans-67.8-48174.3-169.2-17376.7-1592.8111.6E527 Q528 K529 E533 K534 N535 E548 S549E527-R531 PolarHBondContact O-N 2.98Å; E527-R531 VanDerWaalsContact O-N 3.1Å; Q528-R531 PolarHBondContact O-N 3.33Å; K529-R531 VanDerWaalsContact C-N 3.31Å; K529-R531 PolarHBondContact O-N 3.24Å; R531-E533 VanDerWaalsContact C-N 3.27Å; R531-E533 PolarHBondContact O-N 3.23Å; R531-K534 PolarHBondContact O-N 3.34Å; R531-N535 PolarHBondContact O-N 2.96Å; R531-E548 IonicContact CZ-OE2 3.1Å; R531-E548 IonicContact NE-OE2 2.67Å; R531-E548 IonicContact NH2-OE2 2.71Å; R531-E548 PolarHBondContact NH2-OE2 2.96Å; R531-S549 VanDerWaalsContact NH1-CB 3.3Å; R531-S549 PolarHBondContact NH1-OG 2.84Å; R531-S549 PolarHBondContact NH2-OG 3.04Å
532I92.1Very high89.5Confident5 Ų558 Ų583%0.02628%0.275CS..Hα-helixtrans-60.3-40.4177.9-66170.1000110.3L498 C514 L517 L518 L524 Q528 K529 N535 L536L498-I532 HydrophobicContact CD2-CD1 4.35Å; L498-I532 HydrophobicContact CD2-CG1 4.31Å; C514-I532 HydrophobicContact CB-CG2 3.87Å; L517-I532 HydrophobicContact CB-CD1 4.12Å; L517-I532 HydrophobicContact CD1-CD1 4.15Å; L518-I532 HydrophobicContact CD1-CG2 4.39Å; L518-I532 HydrophobicContact CD2-CB 4.35Å; L518-I532 HydrophobicContact CD2-CG2 4.31Å; L518-I532 HydrophobicContact CG-CG2 4.06Å; L524-I532 HydrophobicContact CD1-CD1 3.51Å; Q528-I532 WeakPolarHBondContact O-CG1 3.4Å; Q528-I532 PolarHBondContact O-N 3.08Å; K529-I532 PolarHBondContact O-N 3.43Å; I532-N535 PolarHBondContact O-N 3.39Å; I532-L536 WeakPolarHBondContact O-CB 3.43Å; I532-L536 PolarHBondContact O-N 3.49Å
533E90.9Very high89.3Confident5 Ų561.6 Ų61.62%0.02329%0.294CS..Hα-helixtrans-58.7-50.6174.4-168.2170.6-161.600112.3L518 K529 R531 N535 L536 F537 P614 H615L518-E533 HydrophobicContact CD1-CB 4.32Å; L518-E533 HydrophobicContact CD2-CB 4.03Å; K529-E533 WeakPolarHBondContact O-CB 3.43Å; K529-E533 PolarHBondContact O-N 3.28Å; R531-E533 VanDerWaalsContact C-N 3.27Å; R531-E533 PolarHBondContact O-N 3.23Å; E533-N535 VanDerWaalsContact C-N 3.3Å; E533-N535 PolarHBondContact O-N 2.77Å; E533-L536 WeakPolarHBondContact O-CB 3.41Å; E533-L536 PolarHBondContact O-N 3.13Å; E533-F537 HydrophobicContact CG-CD2 3.86Å; E533-F537 HydrophobicContact CG-CE2 3.64Å; E533-F537 WeakPolarHBondContact O-CD2 3.32Å; E533-F537 PolarHBondContact O-N 3.32Å; E533-P614 WeakPolarHBondContact OE2-CD 3.28Å; E533-H615 WeakPolarHBondContact OE1-CB 3.18Å; E533-H615 PolarHBondContact OE1-N 2.8Å; E533-H615 IonicContact OE1-ND1 3.8Å; E533-H615 IonicContact OE2-CE1 3.37Å; E533-H615 IonicContact OE2-CG 2.9Å; E533-H615 IonicContact OE2-ND1 2.92Å; E533-H615 PolarHBondContact OE2-ND1 3.13Å
534K90.7Very high89.2Confident137 Ų13759.3 Ų59.360%0.59628%0.279SS*.Hα-helixtrans-58.1-43.1177-73.8173.4-177.6-179.50111.8S530 R531 F537 K538S530-K534 WeakPolarHBondContact O-CG 3.29Å; S530-K534 PolarHBondContact O-N 3.25Å; S530-K534 VanDerWaalsContact O-N 3.12Å; R531-K534 PolarHBondContact O-N 3.34Å; K534-F537 PolarHBondContact O-N 3.22Å; K534-K538 WeakPolarHBondContact O-CG 3.36Å; K534-K538 PolarHBondContact O-N 2.93Å
535N92Very high89.2Confident0 Ų057.9 Ų57.90%027%0.272CS..Hα-helixtrans-65-42.3177-84.4-5.2000112.3Y510 R531 I532 E533 F537 K538 V539 P545 E546 E548Y510-N535 WeakPolarHBondContact OH-CB 3.44Å; Y510-N535 PolarHBondContact OH-ND2 2.71Å; R531-N535 PolarHBondContact O-N 2.96Å; I532-N535 PolarHBondContact O-N 3.39Å; E533-N535 VanDerWaalsContact C-N 3.3Å; E533-N535 PolarHBondContact O-N 2.77Å; N535-F537 VanDerWaalsContact C-N 3.34Å; N535-F537 PolarHBondContact O-N 3.16Å; N535-K538 PolarHBondContact O-N 3.11Å; N535-V539 WeakPolarHBondContact O-CG2 3.34Å; N535-V539 PolarHBondContact O-N 2.87Å; N535-P545 HydrophobicContact CB-CB 4.14Å; N535-E546 PolarHBondContact ND2-O 3.48Å; N535-E546 VanDerWaalsContact ND2-O 3.07Å; N535-E546 WeakPolarHBondContact OD1-CB 3.45Å; N535-E546 PolarHBondContact OD1-N 3.32Å; N535-E548 PolarHBondContact ND2-OE1 2.96Å
536L91.1Very high89.2Confident3 Ų355.2 Ų55.22%0.01626%0.262CS..Hα-helixtrans-57.9-46.7174.8176.161.8000111V511 C514 M515 L518 I532 E533 V539 L540 F585V511-L536 HydrophobicContact CB-CD1 4.31Å; V511-L536 HydrophobicContact CG1-CD1 4.01Å; V511-L536 HydrophobicContact CG2-CD1 4.1Å; C514-L536 HydrophobicContact CB-CB 4.12Å; C514-L536 HydrophobicContact CB-CD1 4.06Å; C514-L536 HydrophobicContact CB-CD2 4.34Å; C514-L536 HydrophobicContact CB-CG 4.4Å; M515-L536 HydrophobicContact CG-CD2 4.18Å; L518-L536 HydrophobicContact CD1-CD2 3.83Å; I532-L536 WeakPolarHBondContact O-CB 3.43Å; I532-L536 PolarHBondContact O-N 3.49Å; E533-L536 WeakPolarHBondContact O-CB 3.41Å; E533-L536 PolarHBondContact O-N 3.13Å; L536-V539 PolarHBondContact O-N 2.85Å; L536-L540 HydrophobicContact CG-CD1 4.34Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 2.63Å; L536-F585 HydrophobicContact CD2-CE1 4.27Å
537F88.8Confident89.3Confident58 Ų5850.5 Ų50.525%0.25425%0.246SC..Hα-helixtrans-67.5-36178.5-78-67.8000113.5E533 K534 N535 V539 L540 M541 V617E533-F537 HydrophobicContact CG-CD2 3.86Å; E533-F537 HydrophobicContact CG-CE2 3.64Å; E533-F537 WeakPolarHBondContact O-CD2 3.32Å; E533-F537 PolarHBondContact O-N 3.32Å; K534-F537 PolarHBondContact O-N 3.22Å; N535-F537 VanDerWaalsContact C-N 3.34Å; N535-F537 PolarHBondContact O-N 3.16Å; F537-V539 VanDerWaalsContact C-N 3.33Å; F537-V539 PolarHBondContact O-N 3.16Å; F537-L540 HydrophobicContact CD1-CD1 3.92Å; F537-L540 HydrophobicContact CE1-CD1 4.15Å; F537-L540 PolarHBondContact O-N 3.24Å; F537-M541 WeakPolarHBondContact O-CG 3.48Å; F537-M541 PolarHBondContact O-N 3.49Å; F537-V617 HydrophobicContact CE2-CG2 4.36Å; F537-V617 HydrophobicContact CZ-CB 4.41Å; F537-V617 HydrophobicContact CZ-CG1 4.08Å; F537-V617 HydrophobicContact CZ-CG2 3.89Å
538K88.9Confident89.3Confident59 Ų5943 Ų4326%0.25721%0.211SC..Hα-helixtrans-57-47.9170.6-77.9-179.6171-173.40111.1K534 N535 L540 M541 N542 D543 E546K534-K538 WeakPolarHBondContact O-CG 3.36Å; K534-K538 PolarHBondContact O-N 2.93Å; N535-K538 PolarHBondContact O-N 3.11Å; K538-L540 VanDerWaalsContact C-N 3.34Å; K538-L540 PolarHBondContact O-N 2.87Å; K538-M541 CarbonylContact O-C 3.56Å; K538-M541 WeakPolarHBondContact O-CA 3.33Å; K538-M541 PolarHBondContact O-N 3.3Å; K538-N542 PolarHBondContact O-N 2.97Å; K538-D543 CarbonylContact C-O 3.41Å; K538-D543 HydrophobicContact CB-CB 4.22Å; K538-D543 WeakPolarHBondContact O-CA 3.31Å; K538-D543 WeakPolarHBondContact O-CB 3.18Å; K538-D543 PolarHBondContact O-N 3.02Å; K538-E546 IonicContact NZ-OE1 2.77Å; K538-E546 PolarHBondContact NZ-OE1 2.83Å
539V89.1Confident88.6Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-62.6-38.7177.3171.50000112.1V507 Y510 V511 N535 L536 F537 M541 N542 P545 W563 M567V507-V539 HydrophobicContact CG1-CG1 3.66Å; Y510-V539 HydrophobicContact CD1-CG2 4.12Å; Y510-V539 HydrophobicContact CE1-CG2 3.95Å; V511-V539 HydrophobicContact CG2-CG1 3.82Å; N535-V539 WeakPolarHBondContact O-CG2 3.34Å; N535-V539 PolarHBondContact O-N 2.87Å; L536-V539 PolarHBondContact O-N 2.85Å; F537-V539 VanDerWaalsContact C-N 3.33Å; F537-V539 PolarHBondContact O-N 3.16Å; V539-M541 VanDerWaalsContact C-N 3.27Å; V539-M541 PolarHBondContact O-N 3.08Å; V539-N542 PolarHBondContact O-N 3.32Å; V539-N542 VanDerWaalsContact O-N 3.16Å; V539-P545 HydrophobicContact CG2-CB 4Å; V539-P545 HydrophobicContact CG2-CG 3.82Å; V539-W563 HydrophobicContact CG1-CZ3 4.41Å; V539-W563 HydrophobicContact CG2-CH2 4.2Å; V539-W563 HydrophobicContact CG2-CZ3 3.9Å; V539-M567 HydrophobicContact CG1-CE 4.09Å; V539-M567 HydrophobicContact CG2-CE 4.37Å
540L87.4Confident87.9Confident5 Ų548.4 Ų48.43%0.02624%0.241CC..Hα-helixtrans-64.9-29.6174.3-69.3174.8000112.8L536 F537 K538 N542 R685 V687L536-L540 HydrophobicContact CG-CD1 4.34Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 2.63Å; F537-L540 HydrophobicContact CD1-CD1 3.92Å; F537-L540 HydrophobicContact CE1-CD1 4.15Å; F537-L540 PolarHBondContact O-N 3.24Å; K538-L540 VanDerWaalsContact C-N 3.34Å; K538-L540 PolarHBondContact O-N 2.87Å; L540-N542 VanDerWaalsContact C-N 3.29Å; L540-R685 PolarHBondContact O-N 3.37Å; L540-V687 HydrophobicContact CD2-CB 4.25Å; L540-V687 HydrophobicContact CD2-CG2 3.37Å
541M86.2Confident87.5Confident125 Ų12548.1 Ų48.162%0.61624%0.239SC*.THydrogen-bonded Turntrans-88.310.5175.3-62.6-61.5-178.500113.4F537 K538 V539 D543F537-M541 WeakPolarHBondContact O-CG 3.48Å; F537-M541 PolarHBondContact O-N 3.49Å; K538-M541 CarbonylContact O-C 3.56Å; K538-M541 WeakPolarHBondContact O-CA 3.33Å; K538-M541 PolarHBondContact O-N 3.3Å; V539-M541 VanDerWaalsContact C-N 3.27Å; V539-M541 PolarHBondContact O-N 3.08Å; M541-D543 PolarHBondContact O-N 3.2Å
542N85.6Confident86.9Confident41 Ų4148.5 Ų48.522%0.21925%0.246CC..THydrogen-bonded Turntrans5733.2-173.7-75.1-35000114.2K538 V539 L540 M567 R685K538-N542 PolarHBondContact O-N 2.97Å; V539-N542 PolarHBondContact O-N 3.32Å; V539-N542 VanDerWaalsContact O-N 3.16Å; L540-N542 VanDerWaalsContact C-N 3.29Å; N542-M567 HydrophobicContact CB-SD 4.25Å; N542-R685 PolarHBondContact OD1-NE 3.12Å; N542-R685 PolarHBondContact OD1-NH2 3.03Å
543D86.8Confident86.1Confident87 Ų8756.7 Ų56.747%0.46528%0.284SS..  trans-104.2157.7173.2-161.29.3000111.2K538 M541K538-D543 CarbonylContact C-O 3.41Å; K538-D543 HydrophobicContact CB-CB 4.22Å; K538-D543 WeakPolarHBondContact O-CA 3.31Å; K538-D543 WeakPolarHBondContact O-CB 3.18Å; K538-D543 PolarHBondContact O-N 3.02Å; M541-D543 PolarHBondContact O-N 3.2Å
544V88.1Confident85.5Confident35 Ų3560.2 Ų60.221%0.21231%0.31CS..PPolyproline II helixtrans-76.9125.1-175.8177.70000110.2R560 W563 M567V544-R560 HydrophobicContact CG1-CG 4.46Å; V544-W563 HydrophobicContact CG1-CB 3.9Å; V544-W563 HydrophobicContact CG2-CB 4.42Å; V544-M567 HydrophobicContact CG2-CG 4.43Å
545P91.7Very high85.2Confident1 Ų154.4 Ų54.41%0.00629%0.286CS..PPolyproline II helixtrans-65.9152177.724.7-30.8000111.9Y502 Y510 N535 V539 W563Y502-P545 HydrophobicContact CD2-CG 4.19Å; Y502-P545 HydrophobicContact CE2-CB 4.47Å; Y502-P545 HydrophobicContact CE2-CG 4.04Å; Y510-P545 HydrophobicContact CE1-CB 4.2Å; Y510-P545 HydrophobicContact CE1-CG 4.34Å; N535-P545 HydrophobicContact CB-CB 4.14Å; V539-P545 HydrophobicContact CG2-CB 4Å; V539-P545 HydrophobicContact CG2-CG 3.82Å; P545-W563 HydrophobicContact CG-CD2 3.78Å; P545-W563 HydrophobicContact CG-CE3 3.86Å; P545-W563 HydrophobicContact CG-CG 4.38Å; P545-W563 HydrophobicContact CG-CH2 4.07Å; P545-W563 HydrophobicContact CG-CZ2 3.99Å; P545-W563 HydrophobicContact CG-CZ3 4Å
546E89.9Confident84.9Confident98 Ų9855.5 Ų55.546%0.45829%0.293SS..PPolyproline II helixtrans-70.3152.2171.7-72.2170.9-15300110.8N535 K538 E548N535-E546 PolarHBondContact ND2-O 3.48Å; N535-E546 VanDerWaalsContact ND2-O 3.07Å; N535-E546 WeakPolarHBondContact OD1-CB 3.45Å; N535-E546 PolarHBondContact OD1-N 3.32Å; K538-E546 IonicContact NZ-OE1 2.77Å; K538-E546 PolarHBondContact NZ-OE1 2.83Å; E546-E548 PolarHBondContact O-N 3.24Å
547A87.1Confident84.6Confident37 Ų3757.7 Ų57.731%0.30632%0.316SS..PPolyproline II helixtrans-60.9132.6-179.200000111.3Y502 V556Y502-A547 HydrophobicContact CE1-CB 4.39Å; Y502-A547 WeakPolarHBondContact OH-CA 3.44Å; A547-V556 HydrophobicContact CB-CG1 3.64Å; A547-V556 HydrophobicContact CB-CG2 4.34Å
548E87.3Confident84.5Confident6 Ų657.6 Ų57.63%0.02833%0.326CS..PPolyproline II helixtrans-66.8148.9174.9-65.5-57.7155.300111.5L498 H499 Y502 Y510 R531 N535 E546L498-E548 HydrophobicContact CD2-CG 4.22Å; L498-E548 HydrophobicContact CG-CG 4.38Å; H499-E548 VanDerWaalsContact CD2-CB 3.44Å; H499-E548 WeakPolarHBondContact CD2-CB 3.43Å; Y502-E548 HydrophobicContact CG-CG 4.3Å; Y510-E548 HydrophobicContact CE2-CG 4.33Å; Y510-E548 PolarHBondContact OH-OE1 3.44Å; R531-E548 IonicContact CZ-OE2 3.1Å; R531-E548 IonicContact NE-OE2 2.67Å; R531-E548 IonicContact NH2-OE2 2.71Å; R531-E548 PolarHBondContact NH2-OE2 2.96Å; N535-E548 PolarHBondContact ND2-OE1 2.96Å; E546-E548 PolarHBondContact O-N 3.24Å
549S76.2Confident84.4Confident39 Ų3954.8 Ų54.827%0.27331%0.314SS..THydrogen-bonded Turntrans-59.6147.7179.541.60000111.8H499 R531 C551H499-S549 PolarHBondContact CE1-O 2.96Å; H499-S549 PolarHBondContact NE2-O 2.9Å; R531-S549 VanDerWaalsContact NH1-CB 3.3Å; R531-S549 PolarHBondContact NH1-OG 2.84Å; R531-S549 PolarHBondContact NH2-OG 3.04Å; S549-C551 PolarHBondContact O-N 3.3Å
550E74.8Confident84.4Confident179 Ų17961.4 Ų61.484%0.83634%0.339SS*.THydrogen-bonded Turntrans679.2174.8-51177.3175.400115.3
551C80.6Confident84.4Confident18 Ų1864.1 Ų64.112%0.12236%0.358CS..  trans-74.4142.2169.2-70.70000111.7S549 Q553 V556S549-C551 PolarHBondContact O-N 3.3Å; C551-Q553 PolarHBondContact O-N 2.94Å; C551-V556 HydrophobicContact CB-CG2 3.52Å
552D79.4Confident84.6Confident80 Ų8061.8 Ų61.843%0.42835%0.348SS..  trans-65128.8176.3171.142.6000111.7S554 S555 V556D552-S554 PolarHBondContact O-N 3.5Å; D552-S554 PolarHBondContact OD2-OG 2.87Å; D552-S555 PolarHBondContact O-N 3.12Å; D552-S555 PolarHBondContact OD2-OG 3.23Å; D552-S555 VanDerWaalsContact OD2-OG 3.08Å; D552-V556 WeakPolarHBondContact O-CG2 3.49Å; D552-V556 PolarHBondContact O-N 3.34Å
553Q76.4Confident84.8Confident178 Ų17859.9 Ų59.983%0.83234%0.338SS*.Hα-helixtrans-58.7-34.9-173.4-67.2-177.92.400112.8C551 S555 G557C551-Q553 PolarHBondContact O-N 2.94Å; Q553-S555 VanDerWaalsContact C-N 3.32Å; Q553-S555 PolarHBondContact O-N 3.5Å; Q553-G557 PolarHBondContact O-N 2.85Å
554S77.3Confident84.9Confident79 Ų7959.1 Ų59.155%0.55234%0.336SS*.Hα-helixtrans-66.6-36.2178.182.40000112.3D552D552-S554 PolarHBondContact O-N 3.5Å; D552-S554 PolarHBondContact OD2-OG 2.87Å
555S84.4Confident84.8Confident15 Ų1562.2 Ų62.211%0.10535%0.352CS..Hα-helixtrans-82-29.8-177.7-51.90000111.6D552 Q553 A558 A559D552-S555 PolarHBondContact O-N 3.12Å; D552-S555 PolarHBondContact OD2-OG 3.23Å; D552-S555 VanDerWaalsContact OD2-OG 3.08Å; Q553-S555 VanDerWaalsContact C-N 3.32Å; Q553-S555 PolarHBondContact O-N 3.5Å; S555-A558 PolarHBondContact O-N 3.31Å; S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.41Å
556V86.3Confident84.4Confident23 Ų2369 Ų6914%0.13938%0.377CS..Hα-helixtrans-63.4-39.7175.3171.50000112.1A547 C551 D552 A559 R560A547-V556 HydrophobicContact CB-CG1 3.64Å; A547-V556 HydrophobicContact CB-CG2 4.34Å; C551-V556 HydrophobicContact CB-CG2 3.52Å; D552-V556 WeakPolarHBondContact O-CG2 3.49Å; D552-V556 PolarHBondContact O-N 3.34Å; V556-A559 PolarHBondContact O-N 2.92Å; V556-R560 PolarHBondContact O-N 3.47Å
557G83.8Confident84.1Confident49 Ų4965.4 Ų65.451%0.50536%0.361SS..Hα-helixtrans-60.5-46.9177.100000112.2Q553 R560 S561Q553-G557 PolarHBondContact O-N 2.85Å; G557-R560 PolarHBondContact O-N 3Å; G557-S561 PolarHBondContact O-N 3.03Å
558A86.3Confident83.8Confident55 Ų5567.3 Ų67.346%0.45538%0.377SS..Hα-helixtrans-63.1-45.8175.100000111.7S555 R560 S561 L562S555-A558 PolarHBondContact O-N 3.31Å; A558-R560 VanDerWaalsContact C-N 3.33Å; A558-R560 PolarHBondContact O-N 3.02Å; A558-S561 PolarHBondContact O-N 3.35Å; A558-S561 PolarHBondContact O-OG 2.92Å; A558-L562 PolarHBondContact O-N 3.31Å
559A88.1Confident83.2Confident1 Ų172.1 Ų72.11%0.00840%0.402CS..Hα-helixtrans-59.3-41.4178.600000112.7Y502 L503 S555 V556 S561 L562 W563Y502-A559 HydrophobicContact CD1-CB 4.35Å; Y502-A559 HydrophobicContact CE1-CB 3.94Å; L503-A559 HydrophobicContact CD2-CB 4.06Å; S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.41Å; V556-A559 PolarHBondContact O-N 2.92Å; A559-S561 VanDerWaalsContact C-N 3.3Å; A559-S561 PolarHBondContact O-N 3.41Å; A559-L562 WeakPolarHBondContact O-CB 3.43Å; A559-L562 PolarHBondContact O-N 2.63Å; A559-L562 VanDerWaalsContact O-N 3.15Å; A559-W563 VanDerWaalsContact O-CD1 3.25Å; A559-W563 PolarHBondContact O-N 2.91Å
560R88.4Confident82.3Confident138 Ų13876 Ų7652%0.52143%0.429SS..Hα-helixtrans-61-38.3178.1-177.3175.8-77.9178.3-4.8112.4V544 V556 G557 A558 W563 T564V544-R560 HydrophobicContact CG1-CG 4.46Å; V556-R560 PolarHBondContact O-N 3.47Å; G557-R560 PolarHBondContact O-N 3Å; A558-R560 VanDerWaalsContact C-N 3.33Å; A558-R560 PolarHBondContact O-N 3.02Å; R560-W563 PolarHBondContact O-N 3.1Å; R560-T564 PolarHBondContact O-N 3.21Å; R560-T564 PolarHBondContact O-OG1 2.79Å
561S87.7Confident81.5Confident63 Ų6369.8 Ų69.844%0.44141%0.413SS..Hα-helixtrans-63-45174.269.20000111.6G557 A558 A559 W563 T564 D565G557-S561 PolarHBondContact O-N 3.03Å; A558-S561 PolarHBondContact O-N 3.35Å; A558-S561 PolarHBondContact O-OG 2.92Å; A559-S561 VanDerWaalsContact C-N 3.3Å; A559-S561 PolarHBondContact O-N 3.41Å; S561-W563 PolarHBondContact O-N 2.7Å; S561-T564 WeakPolarHBondContact O-CB 3.38Å; S561-T564 PolarHBondContact O-N 3.08Å; S561-T564 VanDerWaalsContact O-N 3.14Å; S561-D565 PolarHBondContact O-N 3.36Å; S561-D565 VanDerWaalsContact O-N 3.07Å
562L89.7Confident80.6Confident76 Ų7674 Ų7440%0.39844%0.442SS..Hα-helixtrans-61.2-41.6177-64.7174.4000112.6A505 A558 A559 T564 D565 R566A505-L562 HydrophobicContact CB-CB 3.72Å; A558-L562 PolarHBondContact O-N 3.31Å; A559-L562 WeakPolarHBondContact O-CB 3.43Å; A559-L562 PolarHBondContact O-N 2.63Å; A559-L562 VanDerWaalsContact O-N 3.15Å; L562-T564 VanDerWaalsContact C-N 3.35Å; L562-D565 PolarHBondContact O-N 3.16Å; L562-R566 WeakPolarHBondContact O-CB 3.32Å; L562-R566 WeakPolarHBondContact O-CG 3.31Å; L562-R566 PolarHBondContact O-N 2.87Å
563W90.5Very high80.4Confident0 Ų072.7 Ų72.70%044%0.435CS..Hα-helixtrans-64.5-38.7175.5-82.8100.1000112.3Y502 A505 V507 Y510 V539 V544 P545 A559 R560 S561 R566 M567Y502-W563 HydrophobicContact CD2-CZ2 4.42Å; Y502-W563 AromaticContact CD2-NE1 3.55Å; Y502-W563 AromaticContact CE2-NE1 3.8Å; Y502-W563 PolarHBondContact O-NE1 3.08Å; A505-W563 HydrophobicContact CB-CD2 3.96Å; A505-W563 HydrophobicContact CB-CG 3.87Å; V507-W563 HydrophobicContact CG1-CZ3 4.47Å; V507-W563 HydrophobicContact CG2-CH2 4.27Å; V507-W563 HydrophobicContact CG2-CZ3 3.84Å; Y510-W563 AromaticContact CD1-CH2 3.79Å; Y510-W563 HydrophobicContact CD1-CH2 3.79Å; Y510-W563 HydrophobicContact CD1-CZ2 4.17Å; Y510-W563 HydrophobicContact CD2-CZ2 4.28Å; Y510-W563 HydrophobicContact CE1-CH2 4.43Å; Y510-W563 AromaticContact CG-CH2 3.91Å; Y510-W563 HydrophobicContact CG-CH2 3.91Å; Y510-W563 AromaticContact CG-CZ2 3.97Å; Y510-W563 HydrophobicContact CG-CZ2 3.97Å; V539-W563 HydrophobicContact CG1-CZ3 4.41Å; V539-W563 HydrophobicContact CG2-CH2 4.2Å; V539-W563 HydrophobicContact CG2-CZ3 3.9Å; V544-W563 HydrophobicContact CG1-CB 3.9Å; V544-W563 HydrophobicContact CG2-CB 4.42Å; P545-W563 HydrophobicContact CG-CD2 3.78Å; P545-W563 HydrophobicContact CG-CE3 3.86Å; P545-W563 HydrophobicContact CG-CG 4.38Å; P545-W563 HydrophobicContact CG-CH2 4.07Å; P545-W563 HydrophobicContact CG-CZ2 3.99Å; P545-W563 HydrophobicContact CG-CZ3 4Å; A559-W563 VanDerWaalsContact O-CD1 3.25Å; A559-W563 PolarHBondContact O-N 2.91Å; R560-W563 PolarHBondContact O-N 3.1Å; S561-W563 PolarHBondContact O-N 2.7Å; W563-R566 PolarHBondContact O-N 3.47Å; W563-M567 HydrophobicContact CE3-CE 3.36Å; W563-M567 HydrophobicContact CZ3-CE 3.28Å; W563-M567 WeakPolarHBondContact O-CB 3.47Å; W563-M567 VanDerWaalsContact O-CG 3.25Å; W563-M567 WeakPolarHBondContact O-CG 3.37Å; W563-M567 PolarHBondContact O-N 2.98Å
564T88.5Confident80.7Confident72 Ų7270.6 Ų70.644%0.44243%0.425SS..Hα-helixtrans-62.3-45.7177.7-52.90000110.5R560 S561 L562 R566 M567 A568R560-T564 PolarHBondContact O-N 3.21Å; R560-T564 PolarHBondContact O-OG1 2.79Å; S561-T564 WeakPolarHBondContact O-CB 3.38Å; S561-T564 PolarHBondContact O-N 3.08Å; S561-T564 VanDerWaalsContact O-N 3.14Å; L562-T564 VanDerWaalsContact C-N 3.35Å; T564-R566 PolarHBondContact O-N 3.17Å; T564-M567 PolarHBondContact O-N 3.31Å; T564-A568 WeakPolarHBondContact O-CB 3.48Å; T564-A568 PolarHBondContact O-N 3.41Å
565D86.6Confident81.1Confident100 Ų10068 Ų6854%0.53541%0.405SS..Hα-helixtrans-63.1-42.4176.5-65.3-19000111.8S561 L562 A568 L569S561-D565 PolarHBondContact O-N 3.36Å; S561-D565 VanDerWaalsContact O-N 3.07Å; L562-D565 PolarHBondContact O-N 3.16Å; D565-A568 PolarHBondContact O-N 3.4Å; D565-L569 WeakPolarHBondContact O-CD1 3.4Å; D565-L569 VanDerWaalsContact O-CG 3.32Å; D565-L569 WeakPolarHBondContact O-CG 3.42Å; D565-L569 PolarHBondContact O-N 2.69Å
566R83.9Confident81.3Confident143 Ų14372.3 Ų72.354%0.5443%0.425SS..Hα-helixtrans-68.3-32.5179.4-71.9-70.4-170176.41.6113.7A505 L562 W563 T564A505-R566 HydrophobicContact CB-CG 4.22Å; L562-R566 WeakPolarHBondContact O-CB 3.32Å; L562-R566 WeakPolarHBondContact O-CG 3.31Å; L562-R566 PolarHBondContact O-N 2.87Å; W563-R566 PolarHBondContact O-N 3.47Å; T564-R566 PolarHBondContact O-N 3.17Å
567M83.8Confident81.4Confident23 Ų2371.4 Ų71.411%0.11342%0.419CS..Hα-helixtrans-79.7-27.1176.1-68.6-57.9160.600112.4V507 V539 N542 V544 W563 T564 R685V507-M567 HydrophobicContact CG2-CE 4.27Å; V539-M567 HydrophobicContact CG1-CE 4.09Å; V539-M567 HydrophobicContact CG2-CE 4.37Å; N542-M567 HydrophobicContact CB-SD 4.25Å; V544-M567 HydrophobicContact CG2-CG 4.43Å; W563-M567 HydrophobicContact CE3-CE 3.36Å; W563-M567 HydrophobicContact CZ3-CE 3.28Å; W563-M567 WeakPolarHBondContact O-CB 3.47Å; W563-M567 VanDerWaalsContact O-CG 3.25Å; W563-M567 WeakPolarHBondContact O-CG 3.37Å; W563-M567 PolarHBondContact O-N 2.98Å; T564-M567 PolarHBondContact O-N 3.31Å; M567-R685 PolarHBondContact SD-NH2 3.31Å
568A79.4Confident81.7Confident77 Ų7773 Ų7364%0.63641%0.414SS*.Hα-helixtrans-75.8-25.217500000113.6T564 D565 S570T564-A568 WeakPolarHBondContact O-CB 3.48Å; T564-A568 PolarHBondContact O-N 3.41Å; D565-A568 PolarHBondContact O-N 3.4Å; A568-S570 PolarHBondContact O-N 2.75Å
569L76.1Confident81.9Confident107 Ų10770.4 Ų70.456%0.5639%0.392SS*.  trans-70.8114.8178.8-78.5160.3000111.7D565 G571D565-L569 WeakPolarHBondContact O-CD1 3.4Å; D565-L569 VanDerWaalsContact O-CG 3.32Å; D565-L569 WeakPolarHBondContact O-CG 3.42Å; D565-L569 PolarHBondContact O-N 2.69Å; L569-G571 PolarHBondContact O-N 2.96Å
570S56.6Low81.7Confident121 Ų12173.2 Ų73.285%0.84641%0.405SS*.  trans-73.823.7178.6-40.60000115.3A568A568-S570 PolarHBondContact O-N 2.75Å
571G58.7Low81.6Confident48 Ų4871 Ų7150%0.49540%0.404SS..SBendtrans-77.7159.117800000112.5L569 N573L569-G571 PolarHBondContact O-N 2.96Å; G571-N573 PolarHBondContact O-N 3.4Å
572S61Low81.6Confident105 Ų10570.6 Ų70.673%0.73439%0.393SS*.  trans-30.2102.4-166700000114.5E574S572-E574 PolarHBondContact O-N 3.36Å
573N74.8Confident81.5Confident53 Ų5367 Ų6728%0.28337%0.374SS..  trans-69.43.7175.4-79-27.2000112.8G571 R685 C686G571-N573 PolarHBondContact O-N 3.4Å; N573-R685 CarbonylContact O-C 3.54Å; N573-R685 WeakPolarHBondContact O-CA 3.36Å; N573-R685 WeakPolarHBondContact O-CG 3.3Å; N573-C686 PolarHBondContact O-N 2.89Å
574E82.9Confident81.4Confident134 Ų13467.1 Ų67.163%0.62638%0.375SS*.EExtended strand (participates in β ladder)trans-96.4125179.5-62.2-17817600110.7S572 C686 F688S572-E574 PolarHBondContact O-N 3.36Å; E574-C686 CarbonylContact C-O 3.44Å; E574-C686 WeakPolarHBondContact CA-O 3.45Å; E574-C686 HydrophobicContact CG-CB 4.44Å; E574-F688 HydrophobicContact CB-CE2 4.2Å; E574-F688 HydrophobicContact CG-CE2 4.07Å
575L86.1Confident81.5Confident25 Ų2563.9 Ų63.913%0.13136%0.355CS..EExtended strand (participates in β ladder)trans-123.8119.9175-17872.3000109.4K508 V511 V577 C686 V687 F688K508-L575 HydrophobicContact CB-CD1 3.75Å; K508-L575 HydrophobicContact CB-CD2 4.47Å; K508-L575 HydrophobicContact CD-CD1 3.88Å; K508-L575 HydrophobicContact CG-CD1 3.72Å; K508-L575 HydrophobicContact CG-CD2 4.49Å; V511-L575 HydrophobicContact CB-CD2 4.18Å; V511-L575 HydrophobicContact CG1-CD2 4.04Å; L575-V577 HydrophobicContact CD2-CG2 3.93Å; L575-V577 HydrophobicContact CG-CG2 4.02Å; L575-C686 PolarHBondContact N-O 2.84Å; L575-V687 HydrophobicContact CB-CG1 4.49Å; L575-V687 HydrophobicContact CB-CG2 4.23Å; L575-V687 HydrophobicContact CD2-CG1 4.23Å; L575-V687 HydrophobicContact CD2-CG2 4.3Å; L575-V687 CarbonylContact O-C 3.46Å; L575-V687 VanDerWaalsContact O-CA 3.3Å; L575-V687 WeakPolarHBondContact O-CA 3.46Å; L575-F688 PolarHBondContact O-N 2.79Å
576M88.5Confident81.7Confident106 Ų10659.1 Ų59.152%0.52233%0.33SS..EExtended strand (participates in β ladder)trans-95.5131.6171.6-171.5177.5-7700110.3
577V89.1Confident82.1Confident3 Ų352.9 Ų52.92%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-127.4118.8177.8-174.80000109.2I512 M515 L575 M579 Y582 V687 F688 S690I512-V577 HydrophobicContact CD1-CG1 4.2Å; I512-V577 HydrophobicContact CD1-CG2 4.47Å; I512-V577 HydrophobicContact CG1-CG1 3.83Å; I512-V577 HydrophobicContact CG1-CG2 4.1Å; M515-V577 HydrophobicContact CE-CB 4.29Å; M515-V577 HydrophobicContact CE-CG1 3.96Å; M515-V577 HydrophobicContact CE-CG2 4.08Å; L575-V577 HydrophobicContact CD2-CG2 3.93Å; L575-V577 HydrophobicContact CG-CG2 4.02Å; V577-M579 HydrophobicContact CB-CE 3.53Å; V577-M579 HydrophobicContact CG1-CE 3.4Å; V577-M579 VanDerWaalsContact CG1-CE 3.4Å; V577-M579 PolarHBondContact O-N 3.42Å; V577-Y582 HydrophobicContact CG1-CD2 4.44Å; V577-Y582 HydrophobicContact CG1-CE2 4.37Å; V577-V687 HydrophobicContact CG2-CG1 4.06Å; V577-F688 PolarHBondContact N-O 2.73Å; V577-S690 PolarHBondContact O-N 3.19Å
578E90.1Very high82.5Confident82 Ų8252 Ų5238%0.38330%0.302SS..EExtended strand (participates in β ladder)trans-78.1116.5174.3-64.6-167-156.200110Q580 Y582 R692E578-Q580 VanDerWaalsContact C-N 3.3Å; E578-Q580 PolarHBondContact O-N 3.37Å; E578-Y582 VanDerWaalsContact O-CD2 3.25Å; E578-Y582 WeakPolarHBondContact O-CD2 3.32Å; E578-R692 IonicContact OE1-NH2 2.9Å; E578-R692 IonicContact OE2-CZ 2.78Å; E578-R692 IonicContact OE2-NE 3.73Å; E578-R692 PolarHBondContact OE2-NE 3.03Å; E578-R692 IonicContact OE2-NH2 3.02Å; E578-R692 PolarHBondContact OE2-NH2 2.85Å
579M88.7Confident83.1Confident1 Ų149.9 Ų49.91%0.00528%0.279CS..G310 helixtrans-80.6-9.5-171.9-67.8-64.3143.600114.2M515 V577 D581 P584 L689 S690 W691M515-M579 HydrophobicContact CE-CE 4.02Å; M515-M579 HydrophobicContact SD-CE 4.34Å; V577-M579 HydrophobicContact CB-CE 3.53Å; V577-M579 HydrophobicContact CG1-CE 3.4Å; V577-M579 VanDerWaalsContact CG1-CE 3.4Å; V577-M579 PolarHBondContact O-N 3.42Å; M579-D581 VanDerWaalsContact C-N 3.26Å; M579-D581 PolarHBondContact O-N 2.87Å; M579-P584 HydrophobicContact CB-CG 4.4Å; M579-P584 HydrophobicContact CG-CG 4.45Å; M579-P584 HydrophobicContact SD-CB 3.57Å; M579-P584 VanDerWaalsContact SD-CB 3.57Å; M579-P584 HydrophobicContact SD-CG 3.59Å; M579-P584 VanDerWaalsContact SD-CG 3.59Å; M579-L689 HydrophobicContact CE-CB 3.68Å; M579-L689 HydrophobicContact CE-CD1 4.37Å; M579-L689 HydrophobicContact CE-CD2 3.24Å; M579-L689 HydrophobicContact CE-CG 3.89Å; M579-L689 HydrophobicContact CG-CB 4.11Å; M579-L689 HydrophobicContact SD-CB 4.47Å; M579-S690 PolarHBondContact N-O 3.11Å; M579-W691 VanDerWaalsContact CB-CD1 3.43Å; M579-W691 HydrophobicContact CB-CD2 4.22Å; M579-W691 HydrophobicContact CB-CG 4.02Å; M579-W691 VanDerWaalsContact CB-NE1 3.28Å; M579-W691 HydrophobicContact CG-CD2 4.14Å; M579-W691 HydrophobicContact CG-CG 4.44Å; M579-W691 HydrophobicContact CG-CZ2 3.92Å
580Q85.6Confident83.9Confident60 Ų6044.9 Ų44.928%0.2825%0.253SS..G310 helixtrans-68.1-27.4-176-160.166.157.200113E578 A698E578-Q580 VanDerWaalsContact C-N 3.3Å; E578-Q580 PolarHBondContact O-N 3.37Å; Q580-A698 WeakPolarHBondContact O-CA 3.5Å; Q580-A698 PolarHBondContact O-N 2.97Å
581D84.6Confident85.6Confident93 Ų9342.5 Ų42.550%0.49723%0.225SC..G310 helixtrans-93.3-7.3-173-62.9-31.9000113.6R482 M579R482-D581 WeakPolarHBondContact CD-O 3.41Å; M579-D581 VanDerWaalsContact C-N 3.26Å; M579-D581 PolarHBondContact O-N 2.87Å
582Y88.6Confident87.3Confident54 Ų5440.2 Ų40.221%0.21220%0.202CC..SBendtrans-125172.4-174.3-54.8-76.5000111.1I512 V577 E578 P584 D697 A698I512-Y582 HydrophobicContact CG2-CD1 3.66Å; I512-Y582 HydrophobicContact CG2-CD2 4.36Å; I512-Y582 HydrophobicContact CG2-CE1 3.39Å; I512-Y582 HydrophobicContact CG2-CE2 4.14Å; I512-Y582 HydrophobicContact CG2-CG 4.14Å; V577-Y582 HydrophobicContact CG1-CD2 4.44Å; V577-Y582 HydrophobicContact CG1-CE2 4.37Å; E578-Y582 VanDerWaalsContact O-CD2 3.25Å; E578-Y582 WeakPolarHBondContact O-CD2 3.32Å; Y582-P584 VanDerWaalsContact C-CD 3.47Å; Y582-P584 WeakPolarHBondContact O-CD 3.38Å; Y582-D697 WeakPolarHBondContact O-CB 3.31Å; Y582-A698 PolarHBondContact O-N 3.02Å; Y582-A698 VanDerWaalsContact O-N 3.13Å
583I87.9Confident88.7Confident0 Ų039.5 Ų39.50%019%0.187CC..  trans-114.877.3169.4-51.9170000108.5R482 W487 E516 R520 A521 A698 A699R482-I583 HydrophobicContact CB-CD1 4.44Å; R482-I583 HydrophobicContact CG-CD1 4.35Å; W487-I583 HydrophobicContact CE3-CD1 4.47Å; W487-I583 HydrophobicContact CH2-CD1 3.51Å; W487-I583 HydrophobicContact CZ3-CD1 3.34Å; E516-I583 PolarHBondContact OE1-N 2.76Å; E516-I583 VanDerWaalsContact OE1-N 3.13Å; R520-I583 HydrophobicContact CG-CG2 4.29Å; A521-I583 HydrophobicContact CB-CB 4.15Å; A521-I583 HydrophobicContact CB-CD1 3.84Å; A521-I583 HydrophobicContact CB-CG2 3.87Å; I583-A698 HydrophobicContact CG1-CB 4.09Å; I583-A699 HydrophobicContact CD1-CB 3.93Å; I583-A699 HydrophobicContact CG1-CB 4.17Å
584P87.8Confident89.3Confident3 Ų338.8 Ų38.82%0.01919%0.186CC..  trans-69162.6-174.632.2-38.7000112.1M579 Y582 I586M579-P584 HydrophobicContact CB-CG 4.4Å; M579-P584 HydrophobicContact CG-CG 4.45Å; M579-P584 HydrophobicContact SD-CB 3.57Å; M579-P584 VanDerWaalsContact SD-CB 3.57Å; M579-P584 HydrophobicContact SD-CG 3.59Å; M579-P584 VanDerWaalsContact SD-CG 3.59Å; Y582-P584 VanDerWaalsContact C-CD 3.47Å; Y582-P584 WeakPolarHBondContact O-CD 3.38Å; P584-I586 VanDerWaalsContact C-N 3.25Å; P584-I586 WeakPolarHBondContact CG-O 3.34Å; P584-I586 PolarHBondContact O-N 2.85Å
585F90.3Very high89.6Confident4 Ų436.5 Ų36.52%0.01818%0.183CC..SBendtrans-72.3-14.4173.281-82.8000114.4M515 L518 L536 A611 D612 C613 V617 L679M515-F585 HydrophobicContact CB-CD1 4.01Å; M515-F585 HydrophobicContact CB-CE1 4.29Å; M515-F585 HydrophobicContact CG-CD1 4.11Å; M515-F585 HydrophobicContact CG-CE1 3.87Å; M515-F585 PolarHBondContact O-N 2.77Å; L518-F585 HydrophobicContact CB-CB 3.71Å; L518-F585 HydrophobicContact CB-CD1 4.21Å; L518-F585 HydrophobicContact CB-CG 4.02Å; L518-F585 HydrophobicContact CD1-CD1 4.45Å; L536-F585 HydrophobicContact CD2-CE1 4.27Å; F585-A611 HydrophobicContact CD2-CB 4.43Å; F585-A611 CarbonylContact O-C 3.51Å; F585-A611 VanDerWaalsContact O-CA 3.31Å; F585-A611 WeakPolarHBondContact O-CA 3.39Å; F585-D612 PolarHBondContact O-N 3.1Å; F585-C613 HydrophobicContact CD2-CB 3.61Å; F585-C613 VanDerWaalsContact CD2-SG 3.6Å; F585-C613 HydrophobicContact CE2-CB 4.1Å; F585-C613 HydrophobicContact CG-CB 4.38Å; F585-V617 HydrophobicContact CE2-CB 4.36Å; F585-V617 HydrophobicContact CE2-CG1 4.26Å; F585-V617 HydrophobicContact CE2-CG2 3.83Å; F585-V617 HydrophobicContact CZ-CG1 4.28Å; F585-V617 HydrophobicContact CZ-CG2 4.41Å; F585-L679 HydrophobicContact CZ-CD1 4.47Å
586I91.8Very high89.9Confident0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-105.6117.8172.9-63.9155.9000108.5P584 R610 A611 L647 M677 L679 L689 W691P584-I586 VanDerWaalsContact C-N 3.25Å; P584-I586 WeakPolarHBondContact CG-O 3.34Å; P584-I586 PolarHBondContact O-N 2.85Å; I586-R610 CarbonylContact C-O 3.58Å; I586-R610 WeakPolarHBondContact CA-O 3.21Å; I586-A611 HydrophobicContact CG1-CB 4.41Å; I586-L647 HydrophobicContact CG1-CD1 4.47Å; I586-L647 HydrophobicContact CG2-CD1 4.21Å; I586-M677 HydrophobicContact CD1-CE 3.53Å; I586-M677 HydrophobicContact CG2-SD 4.27Å; I586-L679 HydrophobicContact CD1-CD1 4.01Å; I586-L679 HydrophobicContact CD1-CD2 4.17Å; I586-L679 HydrophobicContact CD1-CG 4.46Å; I586-L689 HydrophobicContact CB-CD1 4.43Å; I586-L689 HydrophobicContact CD1-CD1 3.63Å; I586-W691 HydrophobicContact CG2-CH2 4.04Å; I586-W691 HydrophobicContact CG2-CZ2 4.08Å
587Q91Very high89.9Confident12 Ų1233.1 Ų33.16%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-97.1141.8175.7-51.8-178.736.700110.2R520 L609 R610 D612 W726R520-Q587 VanDerWaalsContact NH1-CD 3.34Å; Q587-L609 WeakPolarHBondContact O-CA 3.37Å; Q587-R610 PolarHBondContact N-O 2.85Å; Q587-R610 PolarHBondContact O-N 2.92Å; Q587-D612 PolarHBondContact NE2-OD1 2.96Å; Q587-D612 PolarHBondContact NE2-OD2 2.79Å; Q587-W726 HydrophobicContact CB-CH2 4.06Å; Q587-W726 HydrophobicContact CB-CZ2 3.4Å; Q587-W726 VanDerWaalsContact CB-CZ2 3.4Å; Q587-W726 HydrophobicContact CG-CZ2 4.46Å
588C92.3Very high89.9Confident4 Ų435.1 Ų35.13%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-128.2129.6178.6-179.30000110.6F608 L609 I675 W691 G695 G696C588-F608 WeakPolarHBondContact CA-O 3.26Å; C588-L609 HydrophobicContact CB-CD2 3.82Å; C588-I675 VanDerWaalsContact SG-CD1 3.6Å; C588-W691 HydrophobicContact CB-CD2 3.61Å; C588-W691 HydrophobicContact CB-CE3 4.06Å; C588-W691 HydrophobicContact CB-CG 4Å; C588-W691 HydrophobicContact CB-CH2 4.31Å; C588-W691 HydrophobicContact CB-CZ2 3.89Å; C588-W691 HydrophobicContact CB-CZ3 4.38Å; C588-G695 CarbonylContact O-C 3.42Å; C588-G695 WeakPolarHBondContact O-CA 3.42Å; C588-G696 PolarHBondContact O-N 3.2Å
589K92.5Very high89.7Confident33 Ų3331.4 Ų31.414%0.14316%0.161CC..EExtended strand (participates in β ladder)trans-132.8132.9169.4-68.6-177.2179.2-1760109F608 A694 W726 L729 M731K589-F608 PolarHBondContact N-O 2.94Å; K589-F608 WeakPolarHBondContact O-CA 3.42Å; K589-F608 WeakPolarHBondContact O-CB 3.26Å; K589-F608 WeakPolarHBondContact O-CD2 3.45Å; K589-F608 PolarHBondContact O-N 2.92Å; K589-A694 CarbonylContact C-O 3.58Å; K589-W726 HydrophobicContact CB-CH2 4.43Å; K589-W726 HydrophobicContact CD-CZ2 3.98Å; K589-W726 HydrophobicContact CG-CH2 4.24Å; K589-W726 HydrophobicContact CG-CZ2 3.86Å; K589-W726 PolarHBondContact NZ-O 3.09Å; K589-L729 HydrophobicContact CD-CB 3.92Å; K589-M731 HydrophobicContact CB-CG 4.15Å; K589-M731 HydrophobicContact CG-CG 4.17Å; K589-M731 HydrophobicContact CG-SD 4.33Å
590A92.8Very high89.4Confident1 Ų133.3 Ų33.31%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-127.8154.3176.100000112.2Q606 V607 M672 I675 A694 M731 Q732A590-Q606 CarbonylContact C-O 3.56Å; A590-Q606 WeakPolarHBondContact CA-O 3.44Å; A590-V607 HydrophobicContact CB-CG2 4.03Å; A590-M672 HydrophobicContact CB-CE 4.32Å; A590-M672 HydrophobicContact CB-SD 3.77Å; A590-I675 HydrophobicContact CB-CD1 3.44Å; A590-I675 VanDerWaalsContact CB-CD1 3.44Å; A590-A694 HydrophobicContact CB-CB 4.45Å; A590-A694 PolarHBondContact N-O 2.91Å; A590-A694 WeakPolarHBondContact O-CB 3.44Å; A590-M731 WeakPolarHBondContact O-CA 3.43Å; A590-Q732 PolarHBondContact O-N 3.16Å; A590-Q732 VanDerWaalsContact O-N 3.16Å
591R93.3Very high89.4Confident72 Ų7234.7 Ų34.727%0.27218%0.178SC..EExtended strand (participates in β ladder)trans-151141.5175.767.7-176.2-175.21761.4111.6Q606 F608 Q732R591-Q606 HydrophobicContact CG-CB 4.35Å; R591-Q606 PolarHBondContact N-O 3.07Å; R591-Q606 VanDerWaalsContact NE-OE1 3.09Å; R591-Q606 PolarHBondContact O-N 3.26Å; R591-F608 HydrophobicContact CG-CE2 4.15Å; R591-Q732 WeakPolarHBondContact CA-O 3.4Å; R591-Q732 HydrophobicContact CB-CB 3.76Å
592F92.8Very high89.6Confident0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-67.7140152-70.1-74.6000108.8S594 F597 I603 L605 L626 V670 M672 Q732 T735F592-S594 PolarHBondContact O-N 3.12Å; F592-F597 HydrophobicContact CB-CE2 4.35Å; F592-F597 HydrophobicContact CD1-CE2 4.48Å; F592-I603 HydrophobicContact CD1-CG2 3.94Å; F592-I603 HydrophobicContact CE1-CG2 3.96Å; F592-L605 HydrophobicContact CD1-CB 4.22Å; F592-L605 HydrophobicContact CD1-CD1 4.25Å; F592-L605 HydrophobicContact CD1-CG 4.5Å; F592-L605 HydrophobicContact CE1-CB 4.3Å; F592-L605 HydrophobicContact CE1-CD1 3.7Å; F592-L605 HydrophobicContact CE1-CG 4.41Å; F592-L605 HydrophobicContact CZ-CD1 3.92Å; F592-L626 HydrophobicContact CZ-CD2 4.05Å; F592-V670 HydrophobicContact CZ-CG1 4.2Å; F592-M672 HydrophobicContact CD1-CE 4.35Å; F592-M672 HydrophobicContact CD2-CE 3.42Å; F592-M672 VanDerWaalsContact CD2-CE 3.42Å; F592-M672 HydrophobicContact CE1-CE 4.4Å; F592-M672 HydrophobicContact CE2-CE 3.48Å; F592-M672 VanDerWaalsContact CE2-CE 3.48Å; F592-M672 HydrophobicContact CE2-CG 3.7Å; F592-M672 HydrophobicContact CE2-SD 4.44Å; F592-M672 HydrophobicContact CG-CE 3.89Å; F592-M672 HydrophobicContact CZ-CE 3.99Å; F592-M672 HydrophobicContact CZ-CG 4.07Å; F592-Q732 WeakPolarHBondContact CD2-O 3.33Å; F592-Q732 PolarHBondContact N-O 2.88Å; F592-Q732 PolarHBondContact O-OE1 3.07Å; F592-T735 HydrophobicContact CB-CG2 4.5Å; F592-T735 HydrophobicContact CD1-CG2 3.63Å; F592-T735 HydrophobicContact CD2-CG2 4.16Å; F592-T735 HydrophobicContact CE1-CG2 3.75Å; F592-T735 HydrophobicContact CE2-CG2 4.27Å; F592-T735 HydrophobicContact CG-CG2 3.84Å; F592-T735 HydrophobicContact CZ-CG2 4.08Å
593Q90.4Very high89.7Confident89 Ų8929.3 Ų29.342%0.41616%0.155SC..SBendtrans-69-23.7-179.1-67.9-167.222.400113.3F597 Q604 Q606Q593-F597 HydrophobicContact CB-CZ 4.27Å; Q593-Q604 HydrophobicContact CB-CB 4.3Å; Q593-Q604 HydrophobicContact CG-CB 3.9Å; Q593-Q604 PolarHBondContact N-O 3.5Å; Q593-Q606 HydrophobicContact CG-CG 3.99Å
594S87.9Confident89.8Confident38 Ų3832.8 Ų32.827%0.26617%0.171SC..SBendtrans-137.9142.6179.9-178.10000111.2F592 C596 F597 Q732 T735F592-S594 PolarHBondContact O-N 3.12Å; S594-C596 VanDerWaalsContact CB-O 3.29Å; S594-C596 WeakPolarHBondContact CB-O 3.42Å; S594-C596 PolarHBondContact O-N 3.04Å; S594-C596 PolarHBondContact OG-N 3.34Å; S594-C596 PolarHBondContact OG-O 2.82Å; S594-F597 WeakPolarHBondContact O-CE2 3.42Å; S594-Q732 PolarHBondContact O-NE2 3.08Å; S594-T735 PolarHBondContact O-OG1 2.83Å
595P90.2Very high90.1Very high87 Ų8732.7 Ų32.757%0.56517%0.17SC*.SBendtrans-65.7-18.3175.827.6-36.2000113.4Q732 T735 M736P595-Q732 VanDerWaalsContact N-NE2 3.12Å; P595-T735 VanDerWaalsContact C-OG1 3.3Å; P595-T735 WeakPolarHBondContact O-CA 3.33Å; P595-T735 PolarHBondContact O-OG1 2.97Å; P595-M736 PolarHBondContact O-N 3.43Å
596C90.8Very high90.3Very high47 Ų4733.6 Ų33.632%0.31818%0.175SC..EExtended strand (participates in β ladder)trans-144.4147.6170.559.50000110.9S594 T735 M736 I738S594-C596 VanDerWaalsContact CB-O 3.29Å; S594-C596 WeakPolarHBondContact CB-O 3.42Å; S594-C596 PolarHBondContact O-N 3.04Å; S594-C596 PolarHBondContact OG-N 3.34Å; S594-C596 PolarHBondContact OG-O 2.82Å; C596-T735 PolarHBondContact N-OG1 3.15Å; C596-M736 CarbonylContact C-O 3.58Å; C596-M736 WeakPolarHBondContact CA-O 3.48Å; C596-M736 HydrophobicContact CB-CB 4.17Å; C596-M736 WeakPolarHBondContact CB-O 3.47Å; C596-I738 HydrophobicContact CB-CD1 3.94Å; C596-I738 HydrophobicContact CB-CG1 4.23Å; C596-I738 HydrophobicContact CB-CG2 4.23Å
597F89.9Confident90.3Very high13 Ų1333.6 Ų33.66%0.05718%0.175CC..EExtended strand (participates in β ladder)trans-124.1136.6171.1-69.8-88.2000108.7F592 Q593 S594 I603 Q604 T735 M736 I737 I738F592-F597 HydrophobicContact CB-CE2 4.35Å; F592-F597 HydrophobicContact CD1-CE2 4.48Å; Q593-F597 HydrophobicContact CB-CZ 4.27Å; S594-F597 WeakPolarHBondContact O-CE2 3.42Å; F597-I603 HydrophobicContact CB-CG1 3.91Å; F597-I603 HydrophobicContact CD2-CB 4.32Å; F597-I603 HydrophobicContact CD2-CG1 4.02Å; F597-I603 HydrophobicContact CD2-CG2 3.97Å; F597-I603 HydrophobicContact CE2-CG2 3.93Å; F597-I603 HydrophobicContact CG-CB 4.44Å; F597-I603 HydrophobicContact CG-CG1 3.95Å; F597-I603 HydrophobicContact CZ-CG2 4.48Å; F597-Q604 HydrophobicContact CZ-CB 4.47Å; F597-T735 HydrophobicContact CD2-CG2 4.01Å; F597-T735 VanDerWaalsContact CD2-OG1 3.24Å; F597-T735 WeakPolarHBondContact CD2-OG1 3.45Å; F597-T735 HydrophobicContact CE2-CG2 4.28Å; F597-M736 PolarHBondContact N-O 3.34Å; F597-I737 WeakPolarHBondContact O-CA 3.39Å; F597-I738 WeakPolarHBondContact O-CG1 3.41Å; F597-I738 PolarHBondContact O-N 2.89Å
598H87.9Confident90.4Very high45 Ų4533.2 Ų33.221%0.20817%0.173CC..EExtended strand (participates in β ladder)trans-68.3143.8167.6-64.5-79.9000109.4D600 Q601 I738 S739 V741H598-D600 WeakPolarHBondContact CB-OD1 3.33Å; H598-D600 PolarHBondContact O-N 2.93Å; H598-Q601 HydrophobicContact CB-CG 4.28Å; H598-Q601 PolarHBondContact O-N 3.49Å; H598-I738 WeakPolarHBondContact CA-O 3.39Å; H598-I738 WeakPolarHBondContact CE1-CD1 3.36Å; H598-S739 PolarHBondContact ND1-O 3.48Å; H598-V741 WeakPolarHBondContact CE1-CG2 3.3Å
599V85.8Confident90.4Very high3 Ų333 Ų332%0.01817%0.172CC..THydrogen-bonded Turntrans-56.8-23.1179.470.70000113.1Q601 A661 T663 V666 I737 I738 R740V599-Q601 VanDerWaalsContact C-N 3.31Å; V599-A661 HydrophobicContact CG2-CB 4.44Å; V599-T663 HydrophobicContact CG2-CG2 4.22Å; V599-V666 HydrophobicContact CB-CG2 3.85Å; V599-V666 HydrophobicContact CG1-CG2 4.2Å; V599-V666 HydrophobicContact CG2-CG2 3.87Å; V599-I737 HydrophobicContact CB-CG2 4.27Å; V599-I737 HydrophobicContact CG2-CG2 4.47Å; V599-I738 PolarHBondContact N-O 3.14Å; V599-R740 HydrophobicContact CG1-CB 4.34Å
600D83.2Confident90.3Very high42 Ų4234.1 Ų34.123%0.22518%0.175CC..THydrogen-bonded Turntrans-90.415.4177.170.1-31.8000114.3H598 R740 T853 V855 I860H598-D600 WeakPolarHBondContact CB-OD1 3.33Å; H598-D600 PolarHBondContact O-N 2.93Å; D600-R740 HydrophobicContact CB-CG 4.38Å; D600-R740 WeakPolarHBondContact OD2-CD 3.42Å; D600-R740 VanDerWaalsContact OD2-CG 3.3Å; D600-R740 WeakPolarHBondContact OD2-CG 3.34Å; D600-R740 IonicContact OD2-NE 2.61Å; D600-R740 PolarHBondContact OD2-NE 3.47Å; D600-T853 HydrophobicContact CB-CG2 4.36Å; D600-V855 HydrophobicContact CB-CG2 4.08Å; D600-V855 VanDerWaalsContact O-CG2 3.23Å; D600-V855 WeakPolarHBondContact O-CG2 3.37Å; D600-I860 HydrophobicContact CB-CD1 4.18Å
601Q86.2Confident90.2Very high88 Ų8834.1 Ų34.141%0.41117%0.174SC..SBendtrans-124.9146.8176.2-64.6179.3-14.100111.1H598 V599 I603H598-Q601 HydrophobicContact CB-CG 4.28Å; H598-Q601 PolarHBondContact O-N 3.49Å; V599-Q601 VanDerWaalsContact C-N 3.31Å; Q601-I603 PolarHBondContact O-N 3.41Å
602P87.6Confident89.8Confident33 Ų3331.6 Ų31.621%0.21417%0.167CC..EExtended strand (participates in β ladder)trans-67.1130.6171.427.3-32.2000110.5Q604 S658 E856P602-Q604 PolarHBondContact O-N 2.93Å; P602-S658 WeakPolarHBondContact CB-OG 3.41Å; P602-E856 WeakPolarHBondContact CB-OE1 3.42Å
603I90.5Very high89.4Confident1 Ų131.7 Ų31.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-74.2120.7172-64.8175.6000107.9F592 F597 Q601 S658 F659 A661 T735 I737F592-I603 HydrophobicContact CD1-CG2 3.94Å; F592-I603 HydrophobicContact CE1-CG2 3.96Å; F597-I603 HydrophobicContact CB-CG1 3.91Å; F597-I603 HydrophobicContact CD2-CB 4.32Å; F597-I603 HydrophobicContact CD2-CG1 4.02Å; F597-I603 HydrophobicContact CD2-CG2 3.97Å; F597-I603 HydrophobicContact CE2-CG2 3.93Å; F597-I603 HydrophobicContact CG-CB 4.44Å; F597-I603 HydrophobicContact CG-CG1 3.95Å; F597-I603 HydrophobicContact CZ-CG2 4.48Å; Q601-I603 PolarHBondContact O-N 3.41Å; I603-S658 WeakPolarHBondContact O-CA 3.34Å; I603-F659 HydrophobicContact CB-CD2 4.28Å; I603-F659 HydrophobicContact CB-CE1 4.34Å; I603-F659 HydrophobicContact CB-CE2 3.98Å; I603-F659 HydrophobicContact CB-CZ 4.01Å; I603-F659 HydrophobicContact CD1-CD2 4.34Å; I603-F659 HydrophobicContact CD1-CE2 3.68Å; I603-F659 HydrophobicContact CD1-CZ 4.22Å; I603-F659 HydrophobicContact CG1-CE2 4.38Å; I603-F659 HydrophobicContact CG2-CE1 3.97Å; I603-F659 HydrophobicContact CG2-CE2 4.1Å; I603-F659 HydrophobicContact CG2-CZ 3.65Å; I603-F659 PolarHBondContact N-O 3.4Å; I603-F659 PolarHBondContact O-N 3.13Å; I603-F659 VanDerWaalsContact O-N 3.14Å; I603-A661 HydrophobicContact CD1-CB 3.84Å; I603-T735 HydrophobicContact CG2-CG2 4.41Å; I603-I737 HydrophobicContact CD1-CD1 4.27Å; I603-I737 HydrophobicContact CD1-CG1 4.07Å
604Q91.7Very high89Confident74 Ų7429.4 Ų29.435%0.34616%0.16SC..EExtended strand (participates in β ladder)trans-106.4124.6179.5-61.9-174.1-14.800111.4Q593 F597 P602Q593-Q604 HydrophobicContact CB-CB 4.3Å; Q593-Q604 HydrophobicContact CG-CB 3.9Å; Q593-Q604 PolarHBondContact N-O 3.5Å; F597-Q604 HydrophobicContact CZ-CB 4.47Å; P602-Q604 PolarHBondContact O-N 2.93Å
605L93.1Very high89Confident0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-122.1135-179.8179.4156000109.7F592 V607 V624 L626 F657 M672F592-L605 HydrophobicContact CD1-CB 4.22Å; F592-L605 HydrophobicContact CD1-CD1 4.25Å; F592-L605 HydrophobicContact CD1-CG 4.5Å; F592-L605 HydrophobicContact CE1-CB 4.3Å; F592-L605 HydrophobicContact CE1-CD1 3.7Å; F592-L605 HydrophobicContact CE1-CG 4.41Å; F592-L605 HydrophobicContact CZ-CD1 3.92Å; L605-V607 HydrophobicContact CD2-CG2 3.79Å; L605-V624 HydrophobicContact CD1-CG1 4.26Å; L605-V624 HydrophobicContact CD2-CG2 4.15Å; L605-L626 HydrophobicContact CD1-CD2 3.98Å; L605-F657 HydrophobicContact CB-CB 4.29Å; L605-F657 HydrophobicContact CD2-CB 4.21Å; L605-F657 HydrophobicContact CD2-CD2 3.48Å; L605-F657 VanDerWaalsContact CD2-CD2 3.48Å; L605-F657 HydrophobicContact CD2-CE2 4.22Å; L605-F657 HydrophobicContact CD2-CG 4.2Å; L605-F657 PolarHBondContact N-O 3.23Å; L605-F657 PolarHBondContact O-N 3.01Å; L605-M672 HydrophobicContact CD1-CE 3.56Å; L605-M672 HydrophobicContact CD1-CG 4.27Å; L605-M672 HydrophobicContact CD1-SD 4.29Å; L605-M672 HydrophobicContact CG-CE 3.75Å
606Q93.7Very high88.9Confident24 Ų2431.1 Ų31.111%0.11216%0.162CC..EExtended strand (participates in β ladder)trans-121.7134179.7-56.3-170.6-55.900110.7A590 R591 Q593 F608 Y655 N656A590-Q606 CarbonylContact C-O 3.56Å; A590-Q606 WeakPolarHBondContact CA-O 3.44Å; R591-Q606 HydrophobicContact CG-CB 4.35Å; R591-Q606 PolarHBondContact N-O 3.07Å; R591-Q606 VanDerWaalsContact NE-OE1 3.09Å; R591-Q606 PolarHBondContact O-N 3.26Å; Q593-Q606 HydrophobicContact CG-CG 3.99Å; Q606-F608 HydrophobicContact CB-CE2 3.74Å; Q606-F608 HydrophobicContact CB-CZ 4.02Å; Q606-Y655 CarbonylContact C-O 3.54Å; Q606-Y655 WeakPolarHBondContact CA-O 3.21Å; Q606-N656 WeakPolarHBondContact CG-OD1 3.07Å; Q606-N656 PolarHBondContact NE2-OD1 3.37Å
607V92.8Very high88.7Confident0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-116.7124.2171.3-178.20000109.1A590 L605 L609 L622 V624 C654 Y655 F657 I675A590-V607 HydrophobicContact CB-CG2 4.03Å; L605-V607 HydrophobicContact CD2-CG2 3.79Å; V607-L609 HydrophobicContact CG1-CD2 4.32Å; V607-L609 HydrophobicContact CG1-CG 4.45Å; V607-L622 HydrophobicContact CB-CD2 4.42Å; V607-L622 HydrophobicContact CG1-CD1 4.46Å; V607-L622 HydrophobicContact CG1-CD2 4.21Å; V607-V624 HydrophobicContact CG2-CG2 3.63Å; V607-C654 CarbonylContact O-C 3.55Å; V607-C654 WeakPolarHBondContact O-CA 3.42Å; V607-Y655 PolarHBondContact N-O 2.8Å; V607-Y655 PolarHBondContact O-N 3.07Å; V607-F657 HydrophobicContact CB-CE2 4.23Å; V607-F657 HydrophobicContact CG2-CD2 4.24Å; V607-F657 HydrophobicContact CG2-CE2 3.72Å; V607-I675 HydrophobicContact CG1-CG2 4.29Å
608F92.5Very high88.6Confident4 Ų431.8 Ų31.82%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-107.5125.9178.4-58.3-89.9000109.7C588 K589 R591 Q606 R653 C654 L724 W726 L729C588-F608 WeakPolarHBondContact CA-O 3.26Å; K589-F608 PolarHBondContact N-O 2.94Å; K589-F608 WeakPolarHBondContact O-CA 3.42Å; K589-F608 WeakPolarHBondContact O-CB 3.26Å; K589-F608 WeakPolarHBondContact O-CD2 3.45Å; K589-F608 PolarHBondContact O-N 2.92Å; R591-F608 HydrophobicContact CG-CE2 4.15Å; Q606-F608 HydrophobicContact CB-CE2 3.74Å; Q606-F608 HydrophobicContact CB-CZ 4.02Å; F608-R653 WeakPolarHBondContact CA-O 3.44Å; F608-C654 HydrophobicContact CD1-CB 3.76Å; F608-C654 HydrophobicContact CE1-CB 3.69Å; F608-C654 WeakPolarHBondContact CE1-SG 3.31Å; F608-L724 HydrophobicContact CE1-CD2 3.96Å; F608-W726 HydrophobicContact CB-CH2 4.34Å; F608-W726 HydrophobicContact CB-CZ3 3.82Å; F608-L729 HydrophobicContact CB-CD1 4.07Å; F608-L729 HydrophobicContact CD1-CD1 3.96Å; F608-L729 HydrophobicContact CD2-CD1 4.16Å; F608-L729 HydrophobicContact CD2-CD2 4.44Å; F608-L729 HydrophobicContact CE1-CD1 4.45Å; F608-L729 HydrophobicContact CE1-CD2 4.19Å; F608-L729 HydrophobicContact CE2-CD2 4.13Å; F608-L729 HydrophobicContact CG-CD1 3.81Å; F608-L729 HydrophobicContact CZ-CD2 4Å
609L92.2Very high88.7Confident0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-117140.4176.1-61.9178000110.3Q587 C588 V607 F619 L622 L647 P652 R653 Y655 M677Q587-L609 WeakPolarHBondContact O-CA 3.37Å; C588-L609 HydrophobicContact CB-CD2 3.82Å; V607-L609 HydrophobicContact CG1-CD2 4.32Å; V607-L609 HydrophobicContact CG1-CG 4.45Å; L609-F619 HydrophobicContact CD1-CE1 4.29Å; L609-F619 HydrophobicContact CD1-CE2 4.23Å; L609-F619 HydrophobicContact CD1-CZ 3.77Å; L609-L622 HydrophobicContact CD1-CD1 4.4Å; L609-L622 HydrophobicContact CD1-CD2 4.27Å; L609-L647 HydrophobicContact CB-CD1 4.14Å; L609-L647 HydrophobicContact CB-CD2 3.78Å; L609-L647 HydrophobicContact CD1-CD2 4.45Å; L609-P652 CarbonylContact O-C 3.54Å; L609-P652 WeakPolarHBondContact O-CA 3.17Å; L609-R653 PolarHBondContact N-O 2.89Å; L609-R653 PolarHBondContact O-N 3.36Å; L609-Y655 HydrophobicContact CD1-CD2 4.34Å; L609-Y655 HydrophobicContact CD1-CE2 3.98Å; L609-M677 HydrophobicContact CD1-SD 3.86Å
610R90.8Very high88.7Confident56 Ų5631.1 Ų31.121%0.21117%0.169CC..EExtended strand (participates in β ladder)trans-141.3130.9176.2-177.6-177.5-171.6-164.4-2110I586 Q587 R650 W726I586-R610 CarbonylContact C-O 3.58Å; I586-R610 WeakPolarHBondContact CA-O 3.21Å; Q587-R610 PolarHBondContact N-O 2.85Å; Q587-R610 PolarHBondContact O-N 2.92Å; R610-R650 PolarHBondContact NE-O 3.22Å; R610-R650 PolarHBondContact NH2-O 2.87Å; R610-W726 HydrophobicContact CB-CD2 4.21Å; R610-W726 HydrophobicContact CB-CE3 3.85Å; R610-W726 HydrophobicContact CB-CH2 3.63Å; R610-W726 HydrophobicContact CB-CZ2 4.05Å; R610-W726 HydrophobicContact CB-CZ3 3.51Å
611A91.4Very high89Confident0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-106.7131.7177.300000111.2F585 I586 L647 R650F585-A611 HydrophobicContact CD2-CB 4.43Å; F585-A611 CarbonylContact O-C 3.51Å; F585-A611 VanDerWaalsContact O-CA 3.31Å; F585-A611 WeakPolarHBondContact O-CA 3.39Å; I586-A611 HydrophobicContact CG1-CB 4.41Å; A611-L647 HydrophobicContact CB-CB 3.95Å; A611-L647 HydrophobicContact CB-CD1 4.24Å; A611-R650 WeakPolarHBondContact O-CA 2.89Å; A611-R650 PolarHBondContact O-N 3.25Å
612D85.7Confident89.3Confident20 Ų2028.1 Ų28.111%0.10715%0.153CC..  trans-93.5-2.8-179.5-67.4-45.1000113.7F585 Q587F585-D612 PolarHBondContact O-N 3.1Å; Q587-D612 PolarHBondContact NE2-OD1 2.96Å; Q587-D612 PolarHBondContact NE2-OD2 2.79Å
613C83.9Confident89.6Confident2 Ų227.8 Ų27.81%0.01415%0.15CC..SBendtrans-71.5159.1-177.255.20000113.2F585 H615 V617 P649F585-C613 HydrophobicContact CD2-CB 3.61Å; F585-C613 VanDerWaalsContact CD2-SG 3.6Å; F585-C613 HydrophobicContact CE2-CB 4.1Å; F585-C613 HydrophobicContact CG-CB 4.38Å; C613-H615 PolarHBondContact SG-O 2.63Å; C613-V617 WeakPolarHBondContact SG-CG2 3.21Å; C613-P649 WeakPolarHBondContact O-CB 3.38Å
614P82.4Confident89.7Confident41 Ų4127.8 Ų27.827%0.26615%0.15SC..SBendtrans-65.8-35.2-178.4-20.632.1000114.8K529 E533 P649K529-P614 HydrophobicContact CB-CG 3.85Å; E533-P614 WeakPolarHBondContact OE2-CD 3.28Å; P614-P649 VanDerWaalsContact O-CG 3.31Å; P614-P649 WeakPolarHBondContact O-CG 3.17Å
615H87.4Confident89.8Confident89 Ų8926.2 Ų26.241%0.41215%0.147SC..SBendtrans-112.7161-177-54.287.1000112.5E533 C613E533-H615 WeakPolarHBondContact OE1-CB 3.18Å; E533-H615 PolarHBondContact OE1-N 2.8Å; E533-H615 IonicContact OE1-ND1 3.8Å; E533-H615 IonicContact OE2-CE1 3.37Å; E533-H615 IonicContact OE2-CG 2.9Å; E533-H615 IonicContact OE2-ND1 2.92Å; E533-H615 PolarHBondContact OE2-ND1 3.13Å; C613-H615 PolarHBondContact SG-O 2.63Å
616P87.2Confident89.8Confident71 Ų7126.4 Ų26.446%0.46115%0.148SC..  trans-63138.3176.1-21.733.4000112.8T646 L647 L648P616-T646 HydrophobicContact CB-CG2 3.63Å; P616-L647 VanDerWaalsContact CA-O 3.29Å; P616-L647 WeakPolarHBondContact CA-O 3.33Å; P616-L648 HydrophobicContact CB-CD2 4.25Å; P616-L648 HydrophobicContact CG-CD2 4.1Å
617V87.9Confident89.6Confident1 Ų127.8 Ų27.81%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-117.1124.6-177.5175.50000110.5F537 F585 C613 T646 L647 L679F537-V617 HydrophobicContact CE2-CG2 4.36Å; F537-V617 HydrophobicContact CZ-CB 4.41Å; F537-V617 HydrophobicContact CZ-CG1 4.08Å; F537-V617 HydrophobicContact CZ-CG2 3.89Å; F585-V617 HydrophobicContact CE2-CB 4.36Å; F585-V617 HydrophobicContact CE2-CG1 4.26Å; F585-V617 HydrophobicContact CE2-CG2 3.83Å; F585-V617 HydrophobicContact CZ-CG1 4.28Å; F585-V617 HydrophobicContact CZ-CG2 4.41Å; C613-V617 WeakPolarHBondContact SG-CG2 3.21Å; V617-T646 CarbonylContact O-C 3.58Å; V617-T646 WeakPolarHBondContact O-CA 3.4Å; V617-L647 PolarHBondContact N-O 2.65Å; V617-L647 PolarHBondContact O-N 2.85Å; V617-L679 HydrophobicContact CG1-CD2 3.81Å
618S87.6Confident89.4Confident73 Ų7329.6 Ų29.651%0.5117%0.17SC..EExtended strand (participates in β ladder)trans-91.7149.4174.7550000111.7M645S618-M645 WeakPolarHBondContact CA-O 3.35Å
619F89Confident89.2Confident5 Ų536.9 Ų36.92%0.02220%0.204CC..  trans-141.6157.4175.669.6-82.7000110.6L609 L622 M645 L647 Y655 M677 M678 L679L609-F619 HydrophobicContact CD1-CE1 4.29Å; L609-F619 HydrophobicContact CD1-CE2 4.23Å; L609-F619 HydrophobicContact CD1-CZ 3.77Å; F619-L622 HydrophobicContact CE2-CB 3.95Å; F619-M645 HydrophobicContact CD1-CB 4.22Å; F619-M645 WeakPolarHBondContact CD1-O 3.29Å; F619-M645 HydrophobicContact CD2-CE 3.59Å; F619-M645 HydrophobicContact CE1-CB 4.03Å; F619-M645 HydrophobicContact CE1-CE 4.45Å; F619-M645 HydrophobicContact CE2-CB 4.39Å; F619-M645 HydrophobicContact CE2-CE 3Å; F619-M645 HydrophobicContact CG-CB 4.49Å; F619-M645 HydrophobicContact CZ-CB 4.14Å; F619-M645 HydrophobicContact CZ-CE 3.52Å; F619-M645 PolarHBondContact N-O 2.98Å; F619-M645 WeakPolarHBondContact O-CB 3.4Å; F619-L647 HydrophobicContact CD1-CD1 4.45Å; F619-L647 HydrophobicContact CD1-CG 4.15Å; F619-L647 HydrophobicContact CE1-CD1 4.37Å; F619-L647 HydrophobicContact CE1-CD2 3.95Å; F619-L647 HydrophobicContact CE1-CG 3.88Å; F619-Y655 WeakPolarHBondContact CE1-OH 3.39Å; F619-Y655 HydrophobicContact CZ-CE1 4.41Å; F619-Y655 AromaticContact CZ-CE2 3.93Å; F619-Y655 HydrophobicContact CZ-CE2 3.93Å; F619-Y655 AromaticContact CZ-CZ 3.6Å; F619-Y655 WeakPolarHBondContact CZ-OH 3.35Å; F619-M677 HydrophobicContact CB-CE 3.54Å; F619-M677 HydrophobicContact CB-CG 4.14Å; F619-M677 HydrophobicContact CB-SD 4.17Å; F619-M677 HydrophobicContact CD1-CE 4.32Å; F619-M677 HydrophobicContact CD1-SD 4.24Å; F619-M677 HydrophobicContact CD2-CE 4.39Å; F619-M677 HydrophobicContact CD2-CG 3.49Å; F619-M677 VanDerWaalsContact CD2-CG 3.49Å; F619-M677 HydrophobicContact CD2-SD 3.9Å; F619-M677 HydrophobicContact CE2-CG 4Å; F619-M677 HydrophobicContact CE2-SD 4.24Å; F619-M677 HydrophobicContact CG-CE 3.88Å; F619-M677 HydrophobicContact CG-CG 3.95Å; F619-M677 HydrophobicContact CG-SD 3.87Å; F619-M678 WeakPolarHBondContact CB-O 3.29Å; F619-L679 HydrophobicContact CB-CD2 4.01Å
620S87.1Confident88.9Confident29 Ų2941.2 Ų41.220%0.20322%0.224CC..SBendtrans-104-28.1-165.6-65.60000113.8S639 M678 G680S620-S639 PolarHBondContact O-N 2.94Å; S620-S639 PolarHBondContact O-OG 2.91Å; S620-M678 VanDerWaalsContact CB-CE 3.5Å; S620-M678 PolarHBondContact N-O 2.82Å; S620-G680 WeakPolarHBondContact CB-O 3.17Å; S620-G680 PolarHBondContact OG-O 3.16Å
621K89.4Confident88.8Confident68 Ų6838.6 Ų38.630%0.29621%0.214SC..EExtended strand (participates in β ladder)trans-151.7142.9-176.3-178.2169179.8160.30111.5T623 V637 E638 M677 M678K621-T623 HydrophobicContact CD-CG2 4.18Å; K621-T623 HydrophobicContact CG-CG2 3.92Å; K621-V637 CarbonylContact C-O 3.34Å; K621-V637 WeakPolarHBondContact CA-O 3.45Å; K621-E638 HydrophobicContact CB-CG 4.27Å; K621-E638 HydrophobicContact CD-CG 3.86Å; K621-E638 WeakPolarHBondContact CD-OE1 3.49Å; K621-E638 WeakPolarHBondContact CE-OE1 3.37Å; K621-E638 HydrophobicContact CG-CG 3.79Å; K621-E638 IonicContact NZ-OE1 3.17Å; K621-E638 PolarHBondContact NZ-OE1 3.13Å; K621-M677 CarbonylContact O-C 3.53Å; K621-M677 WeakPolarHBondContact O-CA 3.22Å; K621-M678 HydrophobicContact CB-CB 3.92Å; K621-M678 HydrophobicContact CB-SD 4.2Å; K621-M678 PolarHBondContact O-N 3.28Å
622L91.9Very high88.7Confident0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-130.7129.4169.7175.267.6000109.2V607 L609 F619 V637 M645 Y655 F657 I675 E676 M677V607-L622 HydrophobicContact CB-CD2 4.42Å; V607-L622 HydrophobicContact CG1-CD1 4.46Å; V607-L622 HydrophobicContact CG1-CD2 4.21Å; L609-L622 HydrophobicContact CD1-CD1 4.4Å; L609-L622 HydrophobicContact CD1-CD2 4.27Å; F619-L622 HydrophobicContact CE2-CB 3.95Å; L622-V637 PolarHBondContact N-O 3.01Å; L622-V637 PolarHBondContact O-N 3.13Å; L622-M645 HydrophobicContact CB-CE 4.42Å; L622-Y655 HydrophobicContact CD2-CD1 4.36Å; L622-Y655 HydrophobicContact CD2-CD2 3.84Å; L622-Y655 HydrophobicContact CD2-CE2 4.46Å; L622-Y655 HydrophobicContact CD2-CG 3.81Å; L622-F657 HydrophobicContact CD2-CZ 4.27Å; L622-I675 HydrophobicContact CD1-CG2 3.76Å; L622-E676 CarbonylContact C-O 3.57Å; L622-E676 WeakPolarHBondContact CA-O 3.43Å; L622-M677 HydrophobicContact CD1-CB 4.33Å
623T93Very high88.8Confident25 Ų2545.9 Ų45.915%0.15325%0.249CC..EExtended strand (participates in β ladder)trans-132.7149.1176.869.20000111.4K621 C635 V636 I675 E676K621-T623 HydrophobicContact CD-CG2 4.18Å; K621-T623 HydrophobicContact CG-CG2 3.92Å; T623-C635 CarbonylContact C-O 3.6Å; T623-C635 WeakPolarHBondContact CA-O 3.27Å; T623-V636 HydrophobicContact CG2-CB 4.4Å; T623-V636 HydrophobicContact CG2-CG1 4.06Å; T623-V636 HydrophobicContact CG2-CG2 3.93Å; T623-I675 WeakPolarHBondContact O-CA 3.18Å; T623-E676 PolarHBondContact N-O 3.2Å; T623-E676 PolarHBondContact O-N 2.84Å
624V93.4Very high88.9Confident2 Ų249.6 Ų49.61%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-120.1125.5170-171.40000108.4L605 V607 L626 C635 F657 M672 I675L605-V624 HydrophobicContact CD1-CG1 4.26Å; L605-V624 HydrophobicContact CD2-CG2 4.15Å; V607-V624 HydrophobicContact CG2-CG2 3.63Å; V624-L626 HydrophobicContact CG1-CD2 4.13Å; V624-C635 HydrophobicContact CB-CB 3.91Å; V624-C635 PolarHBondContact N-O 2.84Å; V624-F657 HydrophobicContact CG2-CE2 4.09Å; V624-F657 HydrophobicContact CG2-CZ 4.41Å; V624-M672 HydrophobicContact CG1-CG 4.42Å; V624-I675 HydrophobicContact CG1-CG1 4.23Å; V624-I675 HydrophobicContact CG2-CG1 4.36Å
625S92.9Very high89.2Confident40 Ų4047.7 Ų47.728%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-93.7127.6173.958.60000109.8M673 G674S625-M673 PolarHBondContact O-N 3.29Å; S625-G674 PolarHBondContact N-O 3.19Å; S625-G674 PolarHBondContact O-N 3.24Å; S625-G674 WeakPolarHBondContact OG-CA 3.42Å; S625-G674 PolarHBondContact OG-N 3.39Å; S625-G674 PolarHBondContact OG-O 2.86Å
626L92.8Very high89.3Confident4 Ų446.3 Ų46.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-110.6156-180-59.3175.7000110.4F592 L605 V624 N628 N632 F659 V670 E671 M672F592-L626 HydrophobicContact CZ-CD2 4.05Å; L605-L626 HydrophobicContact CD1-CD2 3.98Å; V624-L626 HydrophobicContact CG1-CD2 4.13Å; L626-N628 VanDerWaalsContact C-N 3.27Å; L626-N628 PolarHBondContact O-N 3.23Å; L626-N632 WeakPolarHBondContact CB-OD1 3.35Å; L626-N632 PolarHBondContact N-OD1 3.33Å; L626-F659 HydrophobicContact CD1-CE1 3.85Å; L626-F659 HydrophobicContact CD1-CZ 3.7Å; L626-V670 HydrophobicContact CB-CG1 4.45Å; L626-E671 CarbonylContact C-O 3.47Å; L626-E671 WeakPolarHBondContact CA-O 3.36Å; L626-M672 HydrophobicContact CD2-CG 4.03Å
627S91.2Very high89.3Confident53 Ų5344.9 Ų44.937%0.37124%0.238SC..SBendtrans-54.3-38.5176.150.90000113.5E671S627-E671 PolarHBondContact N-O 3.03Å; S627-E671 PolarHBondContact OG-N 3.29Å; S627-E671 PolarHBondContact OG-O 3.08Å
628N88.2Confident89.1Confident39 Ų3950.3 Ų50.321%0.20926%0.263CS..SBendtrans-95.7109.8166.5-178.4-7.6000109.1L626 E630 Y631 D665L626-N628 VanDerWaalsContact C-N 3.27Å; L626-N628 PolarHBondContact O-N 3.23Å; N628-E630 PolarHBondContact O-N 2.69Å; N628-E630 PolarHBondContact OD1-N 3.45Å; N628-E630 VanDerWaalsContact OD1-N 3.15Å; N628-Y631 HydrophobicContact CB-CD2 3.66Å; N628-Y631 HydrophobicContact CB-CE2 3.76Å; N628-Y631 WeakPolarHBondContact ND2-CE2 3.49Å; N628-Y631 PolarHBondContact O-N 2.98Å; N628-D665 PolarHBondContact ND2-OD2 3.31Å; N628-D665 VanDerWaalsContact ND2-OD2 3.11Å
629Q87.9Confident88.2Confident157 Ų15749.7 Ų49.773%0.73426%0.259SS*.G310 helixtrans-65.6-23.7-172.8-64.5-177.8-3.700113.8Y631 N632Q629-Y631 PolarHBondContact O-N 2.79Å; Q629-N632 VanDerWaalsContact O-CB 3.29Å; Q629-N632 WeakPolarHBondContact O-CB 3.42Å; Q629-N632 PolarHBondContact O-N 2.99Å; Q629-N632 VanDerWaalsContact O-N 3.09Å
630E85.4Confident86.8Confident90 Ų9053.2 Ų53.242%0.42128%0.284SS..G310 helixtrans-62.7-26.2178.1-62.6178.813800111.8N628 N632 Q633 W634 K662N628-E630 PolarHBondContact O-N 2.69Å; N628-E630 PolarHBondContact OD1-N 3.45Å; N628-E630 VanDerWaalsContact OD1-N 3.15Å; E630-N632 VanDerWaalsContact C-N 3.35Å; E630-Q633 PolarHBondContact O-NE2 3.17Å; E630-Q633 VanDerWaalsContact O-NE2 3.09Å; E630-W634 WeakPolarHBondContact O-CZ3 3.36Å; E630-K662 IonicContact OE1-NZ 3.61Å; E630-K662 PolarHBondContact OE1-NZ 2.97Å; E630-K662 WeakPolarHBondContact OE2-CE 3.28Å; E630-K662 IonicContact OE2-NZ 2.99Å; E630-K662 PolarHBondContact OE2-NZ 3.09Å
631Y89.1Confident85Confident1 Ų158.9 Ų58.90%0.00432%0.317CS..G310 helixtrans-77.8-18.5178.2-60-51.4000113.8N628 Q629 Q633 W634 F659 K662 D665 V670N628-Y631 HydrophobicContact CB-CD2 3.66Å; N628-Y631 HydrophobicContact CB-CE2 3.76Å; N628-Y631 WeakPolarHBondContact ND2-CE2 3.49Å; N628-Y631 PolarHBondContact O-N 2.98Å; Q629-Y631 PolarHBondContact O-N 2.79Å; Y631-Q633 PolarHBondContact O-N 3.13Å; Y631-Q633 VanDerWaalsContact O-N 3.14Å; Y631-W634 HydrophobicContact CD1-CE3 4Å; Y631-W634 AromaticContact CD1-CZ3 3.67Å; Y631-W634 HydrophobicContact CD1-CZ3 3.67Å; Y631-W634 HydrophobicContact CE1-CZ3 4.42Å; Y631-W634 PolarHBondContact O-N 3.45Å; Y631-W634 VanDerWaalsContact O-N 3.1Å; Y631-F659 AromaticContact CD1-CD2 3.45Å; Y631-F659 HydrophobicContact CD1-CD2 3.45Å; Y631-F659 VanDerWaalsContact CD1-CD2 3.45Å; Y631-F659 AromaticContact CD1-CE2 3.67Å; Y631-F659 HydrophobicContact CD1-CE2 3.67Å; Y631-F659 HydrophobicContact CD1-CG 4.38Å; Y631-F659 AromaticContact CD2-CE2 3.92Å; Y631-F659 HydrophobicContact CD2-CE2 3.92Å; Y631-F659 AromaticContact CE1-CD2 4Å; Y631-F659 HydrophobicContact CE1-CD2 4Å; Y631-F659 HydrophobicContact CE1-CE2 4.19Å; Y631-F659 HydrophobicContact CE2-CE2 4.42Å; Y631-F659 AromaticContact CG-CD2 3.8Å; Y631-F659 HydrophobicContact CG-CD2 3.8Å; Y631-F659 AromaticContact CG-CE2 3.56Å; Y631-F659 HydrophobicContact CG-CE2 3.56Å; Y631-F659 HydrophobicContact CG-CZ 4.3Å; Y631-K662 PolarHBondContact OH-N 2.82Å; Y631-D665 WeakPolarHBondContact CE2-OD2 3.39Å; Y631-D665 PolarHBondContact OH-OD2 3.48Å; Y631-V670 HydrophobicContact CE2-CG2 4.41Å
632N88.6Confident82.8Confident42 Ų4264.4 Ų64.423%0.22534%0.344CS..G310 helixtrans-60-30.8-173.8-65.7-8000112.9L626 Q629 E630 W634 C635L626-N632 WeakPolarHBondContact CB-OD1 3.35Å; L626-N632 PolarHBondContact N-OD1 3.33Å; Q629-N632 VanDerWaalsContact O-CB 3.29Å; Q629-N632 WeakPolarHBondContact O-CB 3.42Å; Q629-N632 PolarHBondContact O-N 2.99Å; Q629-N632 VanDerWaalsContact O-N 3.09Å; E630-N632 VanDerWaalsContact C-N 3.35Å; N632-W634 PolarHBondContact O-N 2.81Å; N632-C635 WeakPolarHBondContact O-CA 3.41Å; N632-C635 PolarHBondContact O-N 2.81Å
633Q87.6Confident80.8Confident132 Ų13269.5 Ų69.562%0.61737%0.371SS*.G310 helixtrans-62.8-25.4179.967.9-171.2-34.200113.7E630 Y631 C635E630-Q633 PolarHBondContact O-NE2 3.17Å; E630-Q633 VanDerWaalsContact O-NE2 3.09Å; Y631-Q633 PolarHBondContact O-N 3.13Å; Y631-Q633 VanDerWaalsContact O-N 3.14Å; Q633-C635 VanDerWaalsContact C-N 3.32Å
634W86.4Confident79.2Confident80 Ų8075.4 Ų75.430%0.30340%0.397SS..G310 helixtrans-90.81.6175.6-59.7-71.5000112.6E630 Y631 N632 F657 F659 R858E630-W634 WeakPolarHBondContact O-CZ3 3.36Å; Y631-W634 HydrophobicContact CD1-CE3 4Å; Y631-W634 AromaticContact CD1-CZ3 3.67Å; Y631-W634 HydrophobicContact CD1-CZ3 3.67Å; Y631-W634 HydrophobicContact CE1-CZ3 4.42Å; Y631-W634 PolarHBondContact O-N 3.45Å; Y631-W634 VanDerWaalsContact O-N 3.1Å; N632-W634 PolarHBondContact O-N 2.81Å; W634-F657 WeakPolarHBondContact O-CD1 3.49Å; W634-F659 HydrophobicContact CB-CB 3.81Å; W634-F659 HydrophobicContact CD2-CB 4.06Å; W634-F659 HydrophobicContact CE3-CB 4.02Å; W634-F659 HydrophobicContact CG-CB 3.96Å; W634-R858 VanDerWaalsContact CE2-NH2 3.33Å
635C89.8Confident78.5Confident0 Ų075.9 Ų75.90%040%0.399CS..SBendtrans-118.240.8-177.6-62.40000112.7T623 V624 N632 Q633 F657T623-C635 CarbonylContact C-O 3.6Å; T623-C635 WeakPolarHBondContact CA-O 3.27Å; V624-C635 HydrophobicContact CB-CB 3.91Å; V624-C635 PolarHBondContact N-O 2.84Å; N632-C635 WeakPolarHBondContact O-CA 3.41Å; N632-C635 PolarHBondContact O-N 2.81Å; Q633-C635 VanDerWaalsContact C-N 3.32Å; C635-F657 VanDerWaalsContact C-CE1 3.47Å; C635-F657 VanDerWaalsContact CA-CD1 3.48Å; C635-F657 HydrophobicContact CB-CD1 4.29Å
636V88.8Confident78.2Confident60 Ų6075.9 Ų75.936%0.36440%0.397SS..EExtended strand (participates in β ladder)trans-127131.7178.2178.20000110.2T623 E638T623-V636 HydrophobicContact CG2-CB 4.4Å; T623-V636 HydrophobicContact CG2-CG1 4.06Å; T623-V636 HydrophobicContact CG2-CG2 3.93Å; V636-E638 HydrophobicContact CG1-CG 3.98Å
637V87.4Confident77.9Confident41 Ų4175.7 Ų75.725%0.24840%0.396CS..EExtended strand (participates in β ladder)trans-122.3123.5167.3-171.90000108.2K621 L622 M645 Y655 F657K621-V637 CarbonylContact C-O 3.34Å; K621-V637 WeakPolarHBondContact CA-O 3.45Å; L622-V637 PolarHBondContact N-O 3.01Å; L622-V637 PolarHBondContact O-N 3.13Å; V637-M645 HydrophobicContact CB-CE 4.26Å; V637-M645 HydrophobicContact CG1-CE 3.86Å; V637-M645 HydrophobicContact CG1-SD 3.75Å; V637-Y655 HydrophobicContact CG2-CD1 4.31Å; V637-F657 HydrophobicContact CG2-CE1 3.47Å; V637-F657 VanDerWaalsContact CG2-CE1 3.47Å; V637-F657 HydrophobicContact CG2-CZ 3.65Å
638E82.6Confident77.8Confident116 Ų11677.5 Ų77.554%0.54240%0.402SS..EExtended strand (participates in β ladder)trans-120.1144.8175.2-73.2-179.2177.300109.8K621 V636 S640K621-E638 HydrophobicContact CB-CG 4.27Å; K621-E638 HydrophobicContact CD-CG 3.86Å; K621-E638 WeakPolarHBondContact CD-OE1 3.49Å; K621-E638 WeakPolarHBondContact CE-OE1 3.37Å; K621-E638 HydrophobicContact CG-CG 3.79Å; K621-E638 IonicContact NZ-OE1 3.17Å; K621-E638 PolarHBondContact NZ-OE1 3.13Å; V636-E638 HydrophobicContact CG1-CG 3.98Å; E638-S640 PolarHBondContact O-N 3.11Å
639S70.5Confident77.7Confident60 Ų6077.7 Ų77.742%0.4241%0.405SS..  trans-68.1120.2179.263.50000110.6S620S620-S639 PolarHBondContact O-N 2.94Å; S620-S639 PolarHBondContact O-OG 2.91Å
640S58.3Low77.5Confident79 Ų7977.7 Ų77.755%0.55240%0.398SS*.  trans-90.1156.9166.167.90000109.5E638 Q642 D643E638-S640 PolarHBondContact O-N 3.11Å; S640-Q642 PolarHBondContact O-N 3.1Å; S640-D643 PolarHBondContact O-N 2.81Å
641V50.5Low77.6Confident147 Ų14779.1 Ų79.189%0.89140%0.403SS*.THydrogen-bonded Turntrans-57.4-12.8-171-173.80000114
642Q42.5Very low77.5Confident185 Ų18580.8 Ų80.886%0.86441%0.414SS*.THydrogen-bonded Turntrans-114.3-2.9-176.4-74.6179.9-21.900115.7S640S640-Q642 PolarHBondContact O-N 3.1Å
643D51Low77.6Confident106 Ų10682.9 Ų82.957%0.56742%0.419SS*.  trans-130.7100.9-177.8-147.90.5000111.9S640 M645S640-D643 PolarHBondContact O-N 2.81Å; D643-M645 PolarHBondContact O-N 2.73Å; D643-M645 VanDerWaalsContact O-N 3.15Å
644H57.4Low77.7Confident150 Ų15078.6 Ų78.669%0.69440%0.403SS*.  trans-73.9107.8-176.1-63.8-62000111T646 R653H644-T646 PolarHBondContact O-N 2.96Å; H644-R653 PolarHBondContact O-NH1 2.87Å
645M80.6Confident77.9Confident11 Ų1175.9 Ų75.95%0.05439%0.393CS..  trans-70.179170.6-70.9174.25900110.1S618 F619 L622 V637 D643 Y655S618-M645 WeakPolarHBondContact CA-O 3.35Å; F619-M645 HydrophobicContact CD1-CB 4.22Å; F619-M645 WeakPolarHBondContact CD1-O 3.29Å; F619-M645 HydrophobicContact CD2-CE 3.59Å; F619-M645 HydrophobicContact CE1-CB 4.03Å; F619-M645 HydrophobicContact CE1-CE 4.45Å; F619-M645 HydrophobicContact CE2-CB 4.39Å; F619-M645 HydrophobicContact CE2-CE 3Å; F619-M645 HydrophobicContact CG-CB 4.49Å; F619-M645 HydrophobicContact CZ-CB 4.14Å; F619-M645 HydrophobicContact CZ-CE 3.52Å; F619-M645 PolarHBondContact N-O 2.98Å; F619-M645 WeakPolarHBondContact O-CB 3.4Å; L622-M645 HydrophobicContact CB-CE 4.42Å; V637-M645 HydrophobicContact CB-CE 4.26Å; V637-M645 HydrophobicContact CG1-CE 3.86Å; V637-M645 HydrophobicContact CG1-SD 3.75Å; D643-M645 PolarHBondContact O-N 2.73Å; D643-M645 VanDerWaalsContact O-N 3.15Å; M645-Y655 HydrophobicContact CE-CE1 4.5Å
646T85.9Confident78Confident40 Ų4081.1 Ų81.125%0.24542%0.421CS..EExtended strand (participates in β ladder)trans-113.5133.2-178.1-49.70000111.4P616 V617 H644 R653P616-T646 HydrophobicContact CB-CG2 3.63Å; V617-T646 CarbonylContact O-C 3.58Å; V617-T646 WeakPolarHBondContact O-CA 3.4Å; H644-T646 PolarHBondContact O-N 2.96Å; T646-R653 VanDerWaalsContact N-NH1 3.13Å; T646-R653 PolarHBondContact O-NH1 3.27Å
647L87.3Confident78.1Confident0 Ų078.8 Ų78.80%041%0.406CS..EExtended strand (participates in β ladder)trans-94125.4170.5-60177.5000109.1I586 L609 A611 P616 V617 F619 R653I586-L647 HydrophobicContact CG1-CD1 4.47Å; I586-L647 HydrophobicContact CG2-CD1 4.21Å; L609-L647 HydrophobicContact CB-CD1 4.14Å; L609-L647 HydrophobicContact CB-CD2 3.78Å; L609-L647 HydrophobicContact CD1-CD2 4.45Å; A611-L647 HydrophobicContact CB-CB 3.95Å; A611-L647 HydrophobicContact CB-CD1 4.24Å; P616-L647 VanDerWaalsContact CA-O 3.29Å; P616-L647 WeakPolarHBondContact CA-O 3.33Å; V617-L647 PolarHBondContact N-O 2.65Å; V617-L647 PolarHBondContact O-N 2.85Å; F619-L647 HydrophobicContact CD1-CD1 4.45Å; F619-L647 HydrophobicContact CD1-CG 4.15Å; F619-L647 HydrophobicContact CE1-CD1 4.37Å; F619-L647 HydrophobicContact CE1-CD2 3.95Å; F619-L647 HydrophobicContact CE1-CG 3.88Å; L647-R653 HydrophobicContact CD2-CB 3.97Å
648L87.8Confident78.2Confident92 Ų9279 Ų7948%0.48241%0.409SS..PPolyproline II helixtrans-84.8144.6174.3-67.4175.5000110.2P616 R650 K651P616-L648 HydrophobicContact CB-CD2 4.25Å; P616-L648 HydrophobicContact CG-CD2 4.1Å; L648-R650 PolarHBondContact O-N 3.3Å; L648-K651 HydrophobicContact CB-CB 4.25Å; L648-K651 HydrophobicContact CB-CD 4.47Å; L648-K651 HydrophobicContact CD1-CD 4.38Å; L648-K651 PolarHBondContact O-N 3.2Å
649P86.6Confident78.6Confident43 Ų4373.7 Ų73.728%0.27938%0.384SS..BIsolated β-bridgetrans-49.8125.1177.8-31.537.5000112.8C613 P614 K651C613-P649 WeakPolarHBondContact O-CB 3.38Å; P614-P649 VanDerWaalsContact O-CG 3.31Å; P614-P649 WeakPolarHBondContact O-CG 3.17Å; P649-K651 PolarHBondContact O-N 2.92Å
650R83Confident79.3Confident157 Ų15771.1 Ų71.159%0.59237%0.366SS*.THydrogen-bonded Turntrans593.3176.6-59-177.2179.5173.65116.6R610 A611 L648R610-R650 PolarHBondContact NE-O 3.22Å; R610-R650 PolarHBondContact NH2-O 2.87Å; A611-R650 WeakPolarHBondContact O-CA 2.89Å; A611-R650 PolarHBondContact O-N 3.25Å; L648-R650 PolarHBondContact O-N 3.3Å
651K87.6Confident80.7Confident119 Ų11967.5 Ų67.552%0.51734%0.341SS..  trans-97.7126.1177.5-68.2-169.9176.4-170.70110.9L648 P649L648-K651 HydrophobicContact CB-CB 4.25Å; L648-K651 HydrophobicContact CB-CD 4.47Å; L648-K651 HydrophobicContact CD1-CD 4.38Å; L648-K651 PolarHBondContact O-N 3.2Å; P649-K651 PolarHBondContact O-N 2.92Å
652P88.5Confident82.3Confident37 Ų3763.9 Ų63.924%0.2431%0.313CS..  trans-73.3138.1177.330.6-34.1000111.5L609 L724 W726L609-P652 CarbonylContact O-C 3.54Å; L609-P652 WeakPolarHBondContact O-CA 3.17Å; P652-L724 HydrophobicContact CG-CB 3.93Å; P652-W726 HydrophobicContact CB-CE3 3.72Å; P652-W726 HydrophobicContact CB-CZ3 3.99Å
653R89.4Confident84.1Confident85 Ų8558.2 Ų58.232%0.32129%0.291SS..EExtended strand (participates in β ladder)trans-115.4131.9172.8-167.1168.3179.8173.6-1.7109.1F608 L609 H644 T646 L647 Y655F608-R653 WeakPolarHBondContact CA-O 3.44Å; L609-R653 PolarHBondContact N-O 2.89Å; L609-R653 PolarHBondContact O-N 3.36Å; H644-R653 PolarHBondContact O-NH1 2.87Å; T646-R653 VanDerWaalsContact N-NH1 3.13Å; T646-R653 PolarHBondContact O-NH1 3.27Å; L647-R653 HydrophobicContact CD2-CB 3.97Å; R653-Y655 HydrophobicContact CB-CE2 4.34Å; R653-Y655 WeakPolarHBondContact CD-OH 3.45Å; R653-Y655 HydrophobicContact CG-CE2 3.96Å; R653-Y655 PolarHBondContact NE-OH 2.98Å
654C89.8Confident85.7Confident43 Ų4358.5 Ų58.529%0.29129%0.289SS..EExtended strand (participates in β ladder)trans-105134.3-178.3-175.20000110.9V607 F608 N656V607-C654 CarbonylContact O-C 3.55Å; V607-C654 WeakPolarHBondContact O-CA 3.42Å; F608-C654 HydrophobicContact CD1-CB 3.76Å; F608-C654 HydrophobicContact CE1-CB 3.69Å; F608-C654 WeakPolarHBondContact CE1-SG 3.31Å; C654-N656 PolarHBondContact SG-OD1 3.24Å
655Y91.3Very high87Confident22 Ų2251.8 Ų51.89%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-115.6121.8172.6-65.4-90.3000108.9Q606 V607 L609 F619 L622 V637 M645 R653Q606-Y655 CarbonylContact C-O 3.54Å; Q606-Y655 WeakPolarHBondContact CA-O 3.21Å; V607-Y655 PolarHBondContact N-O 2.8Å; V607-Y655 PolarHBondContact O-N 3.07Å; L609-Y655 HydrophobicContact CD1-CD2 4.34Å; L609-Y655 HydrophobicContact CD1-CE2 3.98Å; F619-Y655 WeakPolarHBondContact CE1-OH 3.39Å; F619-Y655 HydrophobicContact CZ-CE1 4.41Å; F619-Y655 AromaticContact CZ-CE2 3.93Å; F619-Y655 HydrophobicContact CZ-CE2 3.93Å; F619-Y655 AromaticContact CZ-CZ 3.6Å; F619-Y655 WeakPolarHBondContact CZ-OH 3.35Å; L622-Y655 HydrophobicContact CD2-CD1 4.36Å; L622-Y655 HydrophobicContact CD2-CD2 3.84Å; L622-Y655 HydrophobicContact CD2-CE2 4.46Å; L622-Y655 HydrophobicContact CD2-CG 3.81Å; V637-Y655 HydrophobicContact CG2-CD1 4.31Å; M645-Y655 HydrophobicContact CE-CE1 4.5Å; R653-Y655 HydrophobicContact CB-CE2 4.34Å; R653-Y655 WeakPolarHBondContact CD-OH 3.45Å; R653-Y655 HydrophobicContact CG-CE2 3.96Å; R653-Y655 PolarHBondContact NE-OH 2.98Å
656N90.6Very high87.2Confident111 Ų11153.9 Ų53.959%0.59427%0.272SS*.EExtended strand (participates in β ladder)trans-101.1133.1-179-63.2-41000110Q606 C654Q606-N656 WeakPolarHBondContact CG-OD1 3.07Å; Q606-N656 PolarHBondContact NE2-OD1 3.37Å; C654-N656 PolarHBondContact SG-OD1 3.24Å
657F91.9Very high87.1Confident11 Ų1154.6 Ų54.65%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-120.8139.9174.4-58.2-84.3000109.1L605 V607 L622 V624 W634 C635 V637L605-F657 HydrophobicContact CB-CB 4.29Å; L605-F657 HydrophobicContact CD2-CB 4.21Å; L605-F657 HydrophobicContact CD2-CD2 3.48Å; L605-F657 VanDerWaalsContact CD2-CD2 3.48Å; L605-F657 HydrophobicContact CD2-CE2 4.22Å; L605-F657 HydrophobicContact CD2-CG 4.2Å; L605-F657 PolarHBondContact N-O 3.23Å; L605-F657 PolarHBondContact O-N 3.01Å; V607-F657 HydrophobicContact CB-CE2 4.23Å; V607-F657 HydrophobicContact CG2-CD2 4.24Å; V607-F657 HydrophobicContact CG2-CE2 3.72Å; L622-F657 HydrophobicContact CD2-CZ 4.27Å; V624-F657 HydrophobicContact CG2-CE2 4.09Å; V624-F657 HydrophobicContact CG2-CZ 4.41Å; W634-F657 WeakPolarHBondContact O-CD1 3.49Å; C635-F657 VanDerWaalsContact C-CE1 3.47Å; C635-F657 VanDerWaalsContact CA-CD1 3.48Å; C635-F657 HydrophobicContact CB-CD1 4.29Å; V637-F657 HydrophobicContact CG2-CE1 3.47Å; V637-F657 VanDerWaalsContact CG2-CE1 3.47Å; V637-F657 HydrophobicContact CG2-CZ 3.65Å
658S89.8Confident87.2Confident45 Ų4559.4 Ų59.432%0.31531%0.308SS..EExtended strand (participates in β ladder)trans-135.6133.1-180-168.70000110P602 I603P602-S658 WeakPolarHBondContact CB-OG 3.41Å; I603-S658 WeakPolarHBondContact O-CA 3.34Å
659F89.9Confident87.3Confident4 Ų459.6 Ų59.62%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-151.8158.517460.8-89000111.8I603 L626 Y631 W634I603-F659 HydrophobicContact CB-CD2 4.28Å; I603-F659 HydrophobicContact CB-CE1 4.34Å; I603-F659 HydrophobicContact CB-CE2 3.98Å; I603-F659 HydrophobicContact CB-CZ 4.01Å; I603-F659 HydrophobicContact CD1-CD2 4.34Å; I603-F659 HydrophobicContact CD1-CE2 3.68Å; I603-F659 HydrophobicContact CD1-CZ 4.22Å; I603-F659 HydrophobicContact CG1-CE2 4.38Å; I603-F659 HydrophobicContact CG2-CE1 3.97Å; I603-F659 HydrophobicContact CG2-CE2 4.1Å; I603-F659 HydrophobicContact CG2-CZ 3.65Å; I603-F659 PolarHBondContact N-O 3.4Å; I603-F659 PolarHBondContact O-N 3.13Å; I603-F659 VanDerWaalsContact O-N 3.14Å; L626-F659 HydrophobicContact CD1-CE1 3.85Å; L626-F659 HydrophobicContact CD1-CZ 3.7Å; Y631-F659 AromaticContact CD1-CD2 3.45Å; Y631-F659 HydrophobicContact CD1-CD2 3.45Å; Y631-F659 VanDerWaalsContact CD1-CD2 3.45Å; Y631-F659 AromaticContact CD1-CE2 3.67Å; Y631-F659 HydrophobicContact CD1-CE2 3.67Å; Y631-F659 HydrophobicContact CD1-CG 4.38Å; Y631-F659 AromaticContact CD2-CE2 3.92Å; Y631-F659 HydrophobicContact CD2-CE2 3.92Å; Y631-F659 AromaticContact CE1-CD2 4Å; Y631-F659 HydrophobicContact CE1-CD2 4Å; Y631-F659 HydrophobicContact CE1-CE2 4.19Å; Y631-F659 HydrophobicContact CE2-CE2 4.42Å; Y631-F659 AromaticContact CG-CD2 3.8Å; Y631-F659 HydrophobicContact CG-CD2 3.8Å; Y631-F659 AromaticContact CG-CE2 3.56Å; Y631-F659 HydrophobicContact CG-CE2 3.56Å; Y631-F659 HydrophobicContact CG-CZ 4.3Å; W634-F659 HydrophobicContact CB-CB 3.81Å; W634-F659 HydrophobicContact CD2-CB 4.06Å; W634-F659 HydrophobicContact CE3-CB 4.02Å; W634-F659 HydrophobicContact CG-CB 3.96Å
660V86.8Confident87.5Confident6 Ų657.7 Ų57.74%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-99.4129.2-179-177.60000110.3V855 E856V660-V855 HydrophobicContact CG1-CB 4.39Å; V660-V855 HydrophobicContact CG1-CG1 4.42Å; V660-V855 HydrophobicContact CG2-CG1 4.19Å; V660-E856 HydrophobicContact CG2-CB 4.22Å
661A86.6Confident88Confident3 Ų353.4 Ų53.43%0.02528%0.279CS..PPolyproline II helixtrans-68.6147176.100000112.3V599 I603 I737V599-A661 HydrophobicContact CG2-CB 4.44Å; I603-A661 HydrophobicContact CD1-CB 3.84Å; A661-I737 HydrophobicContact CB-CD1 3.74Å; A661-I737 HydrophobicContact CB-CG1 4.07Å; A661-I737 HydrophobicContact CB-CG2 3.96Å
662K84.3Confident88.2Confident71 Ų7148 Ų4831%0.30926%0.256SS..PPolyproline II helixtrans-78.9151170.4-63.3-175.4175.2178.20111.5E630 Y631 E664 D665E630-K662 IonicContact OE1-NZ 3.61Å; E630-K662 PolarHBondContact OE1-NZ 2.97Å; E630-K662 WeakPolarHBondContact OE2-CE 3.28Å; E630-K662 IonicContact OE2-NZ 2.99Å; E630-K662 PolarHBondContact OE2-NZ 3.09Å; Y631-K662 PolarHBondContact OH-N 2.82Å; K662-E664 HydrophobicContact CB-CG 3.86Å; K662-E664 HydrophobicContact CD-CG 4.2Å; K662-E664 WeakPolarHBondContact CD-OE1 3.38Å; K662-E664 IonicContact NZ-OE1 3.23Å; K662-E664 PolarHBondContact NZ-OE1 2.87Å; K662-E664 VanDerWaalsContact NZ-OE1 3.11Å; K662-E664 PolarHBondContact O-N 3.16Å; K662-D665 PolarHBondContact O-N 2.93Å; K662-D665 VanDerWaalsContact O-N 3.08Å
663T80.6Confident88.4Confident66 Ų6651.5 Ų51.541%0.40527%0.271SS..G310 helixtrans-66.2-24.3178.454.40000113.6V599 D665 V666 I860 V861V599-T663 HydrophobicContact CG2-CG2 4.22Å; T663-D665 PolarHBondContact O-N 3.43Å; T663-V666 WeakPolarHBondContact O-CG2 3.45Å; T663-I860 HydrophobicContact CG2-CB 4Å; T663-I860 HydrophobicContact CG2-CG2 4.44Å; T663-V861 WeakPolarHBondContact CG2-O 3.47Å
664E83.7Confident88.5Confident113 Ų11347.8 Ų47.853%0.52826%0.258SS..G310 helixtrans-72.2-14.8173.665.7-173.1163.200114.1K662 K668K662-E664 HydrophobicContact CB-CG 3.86Å; K662-E664 HydrophobicContact CD-CG 4.2Å; K662-E664 WeakPolarHBondContact CD-OE1 3.38Å; K662-E664 IonicContact NZ-OE1 3.23Å; K662-E664 PolarHBondContact NZ-OE1 2.87Å; K662-E664 VanDerWaalsContact NZ-OE1 3.11Å; K662-E664 PolarHBondContact O-N 3.16Å; E664-K668 WeakPolarHBondContact O-CE 3.07Å; E664-K668 PolarHBondContact O-NZ 3.48Å
665D85.1Confident88.7Confident8 Ų845.7 Ų45.74%0.04325%0.245CC..G310 helixtrans-95.51.8-179.2-70.9-19.3000113.1N628 Y631 K662 T663 G667 K668 I737N628-D665 PolarHBondContact ND2-OD2 3.31Å; N628-D665 VanDerWaalsContact ND2-OD2 3.11Å; Y631-D665 WeakPolarHBondContact CE2-OD2 3.39Å; Y631-D665 PolarHBondContact OH-OD2 3.48Å; K662-D665 PolarHBondContact O-N 2.93Å; K662-D665 VanDerWaalsContact O-N 3.08Å; T663-D665 PolarHBondContact O-N 3.43Å; D665-G667 PolarHBondContact O-N 3.39Å; D665-K668 HydrophobicContact CB-CD 4.4Å; D665-K668 WeakPolarHBondContact O-CB 3.45Å; D665-K668 PolarHBondContact O-N 3.19Å; D665-K668 WeakPolarHBondContact OD1-CD 3.41Å; D665-K668 IonicContact OD1-NZ 3.11Å; D665-K668 PolarHBondContact OD1-NZ 3.14Å; D665-I737 HydrophobicContact CB-CD1 3.57Å; D665-I737 WeakPolarHBondContact O-CB 3.47Å
666V85.1Confident88.8Confident56 Ų5647.6 Ų47.634%0.33925%0.254SS..THydrogen-bonded Turntrans-59.5124.7172.6177.10000110V599 T663 I737V599-V666 HydrophobicContact CB-CG2 3.85Å; V599-V666 HydrophobicContact CG1-CG2 4.2Å; V599-V666 HydrophobicContact CG2-CG2 3.87Å; T663-V666 WeakPolarHBondContact O-CG2 3.45Å; V666-I737 HydrophobicContact CG2-CG2 4.21Å
667G83.1Confident88.8Confident55 Ų5542.3 Ų42.357%0.56723%0.226SC*.THydrogen-bonded Turntrans89.4-7-174.600000114.4D665 M736 I737D665-G667 PolarHBondContact O-N 3.39Å; G667-M736 WeakPolarHBondContact O-CE 3.41Å; G667-I737 PolarHBondContact N-O 3.11Å
668K88.7Confident88.8Confident101 Ų10142.5 Ų42.544%0.43923%0.227SC..  trans-91.6156.1175.9-55.7-174.7-162.6154.50111.8E664 D665 I737E664-K668 WeakPolarHBondContact O-CE 3.07Å; E664-K668 PolarHBondContact O-NZ 3.48Å; D665-K668 HydrophobicContact CB-CD 4.4Å; D665-K668 WeakPolarHBondContact O-CB 3.45Å; D665-K668 PolarHBondContact O-N 3.19Å; D665-K668 WeakPolarHBondContact OD1-CD 3.41Å; D665-K668 IonicContact OD1-NZ 3.11Å; D665-K668 PolarHBondContact OD1-NZ 3.14Å; K668-I737 PolarHBondContact O-N 3.47Å; K668-I737 VanDerWaalsContact O-N 3.14Å
669K90.5Very high88.6Confident95 Ų9540.5 Ų40.541%0.41321%0.213SC..EExtended strand (participates in β ladder)trans-96131.3175.3-168.9178.6178.5-164.70109.8E671 S734 M736K669-E671 HydrophobicContact CD-CG 3.99Å; K669-E671 VanDerWaalsContact CD-OE1 3.26Å; K669-E671 WeakPolarHBondContact CD-OE1 3.38Å; K669-E671 WeakPolarHBondContact CE-OE1 3.5Å; K669-E671 HydrophobicContact CG-CG 3.97Å; K669-E671 IonicContact NZ-OE1 3.73Å; K669-E671 PolarHBondContact NZ-OE1 3.45Å; K669-S734 WeakPolarHBondContact CE-OG 3.36Å; K669-M736 HydrophobicContact CB-SD 3.5Å; K669-M736 WeakPolarHBondContact CB-SD 3.39Å; K669-M736 HydrophobicContact CD-SD 4.38Å; K669-M736 HydrophobicContact CG-SD 3.73Å
670V91.4Very high88.3Confident4 Ų441 Ų412%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-105118.1170.5-176.60000108.7F592 L626 Y631 S734 T735 I737F592-V670 HydrophobicContact CZ-CG1 4.2Å; L626-V670 HydrophobicContact CB-CG1 4.45Å; Y631-V670 HydrophobicContact CE2-CG2 4.41Å; V670-S734 CarbonylContact O-C 3.52Å; V670-S734 VanDerWaalsContact O-CA 3.28Å; V670-S734 WeakPolarHBondContact O-CA 3.29Å; V670-T735 HydrophobicContact CB-CG2 4.29Å; V670-T735 PolarHBondContact N-O 3.26Å; V670-T735 PolarHBondContact O-N 2.79Å; V670-I737 HydrophobicContact CG2-CD1 3.59Å; V670-I737 HydrophobicContact CG2-CG1 4.2Å
671E92.6Very high87.7Confident66 Ų6642.4 Ų42.431%0.30823%0.229SC..EExtended strand (participates in β ladder)trans-111147.5179.4-55.1-172.715100111.7L626 S627 K669 H733L626-E671 CarbonylContact C-O 3.47Å; L626-E671 WeakPolarHBondContact CA-O 3.36Å; S627-E671 PolarHBondContact N-O 3.03Å; S627-E671 PolarHBondContact OG-N 3.29Å; S627-E671 PolarHBondContact OG-O 3.08Å; K669-E671 HydrophobicContact CD-CG 3.99Å; K669-E671 VanDerWaalsContact CD-OE1 3.26Å; K669-E671 WeakPolarHBondContact CD-OE1 3.38Å; K669-E671 WeakPolarHBondContact CE-OE1 3.5Å; K669-E671 HydrophobicContact CG-CG 3.97Å; K669-E671 IonicContact NZ-OE1 3.73Å; K669-E671 PolarHBondContact NZ-OE1 3.45Å; E671-H733 WeakPolarHBondContact CA-O 3.38Å
672M92.9Very high86.7Confident7 Ų749.2 Ų49.23%0.03427%0.265CS..EExtended strand (participates in β ladder)trans-78.1123.1165.3-57.4178.7-163.800108.5A590 F592 L605 V624 L626 G693 A694 Q732 H733A590-M672 HydrophobicContact CB-CE 4.32Å; A590-M672 HydrophobicContact CB-SD 3.77Å; F592-M672 HydrophobicContact CD1-CE 4.35Å; F592-M672 HydrophobicContact CD2-CE 3.42Å; F592-M672 VanDerWaalsContact CD2-CE 3.42Å; F592-M672 HydrophobicContact CE1-CE 4.4Å; F592-M672 HydrophobicContact CE2-CE 3.48Å; F592-M672 VanDerWaalsContact CE2-CE 3.48Å; F592-M672 HydrophobicContact CE2-CG 3.7Å; F592-M672 HydrophobicContact CE2-SD 4.44Å; F592-M672 HydrophobicContact CG-CE 3.89Å; F592-M672 HydrophobicContact CZ-CE 3.99Å; F592-M672 HydrophobicContact CZ-CG 4.07Å; L605-M672 HydrophobicContact CD1-CE 3.56Å; L605-M672 HydrophobicContact CD1-CG 4.27Å; L605-M672 HydrophobicContact CD1-SD 4.29Å; L605-M672 HydrophobicContact CG-CE 3.75Å; V624-M672 HydrophobicContact CG1-CG 4.42Å; L626-M672 HydrophobicContact CD2-CG 4.03Å; M672-G693 WeakPolarHBondContact O-CA 3.17Å; M672-A694 HydrophobicContact SD-CB 4.17Å; M672-Q732 WeakPolarHBondContact CE-O 3.46Å; M672-H733 PolarHBondContact N-O 2.83Å
673M92.1Very high86Confident110 Ų11051.1 Ų51.154%0.54229%0.288SS..EExtended strand (participates in β ladder)trans-87.7-37.9177.1-59.8-55.2-63.700110.9S625 G693S625-M673 PolarHBondContact O-N 3.29Å; M673-G693 PolarHBondContact O-N 3.48Å
674G92Very high85.8Confident6 Ų648.1 Ų48.16%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-177.3164176.300000113.7S625 W691S625-G674 PolarHBondContact N-O 3.19Å; S625-G674 PolarHBondContact O-N 3.24Å; S625-G674 WeakPolarHBondContact OG-CA 3.42Å; S625-G674 PolarHBondContact OG-N 3.39Å; S625-G674 PolarHBondContact OG-O 2.86Å; G674-W691 CarbonylContact C-O 3.57Å; G674-W691 WeakPolarHBondContact CA-O 3.46Å
675I93.7Very high85.8Confident0 Ų044.1 Ų44.10%025%0.25CC..EExtended strand (participates in β ladder)trans-121.8132.3179.3-58.1163.8000107C588 A590 V607 L622 T623 V624 W691C588-I675 VanDerWaalsContact SG-CD1 3.6Å; A590-I675 HydrophobicContact CB-CD1 3.44Å; A590-I675 VanDerWaalsContact CB-CD1 3.44Å; V607-I675 HydrophobicContact CG1-CG2 4.29Å; L622-I675 HydrophobicContact CD1-CG2 3.76Å; T623-I675 WeakPolarHBondContact O-CA 3.18Å; V624-I675 HydrophobicContact CG1-CG1 4.23Å; V624-I675 HydrophobicContact CG2-CG1 4.36Å; I675-W691 HydrophobicContact CB-CB 4.42Å; I675-W691 HydrophobicContact CB-CE3 4.41Å; I675-W691 HydrophobicContact CG2-CE3 4.28Å; I675-W691 PolarHBondContact N-O 3.43Å; I675-W691 PolarHBondContact O-N 3.02Å
676E92.9Very high85.9Confident62 Ų6244.1 Ų44.129%0.2925%0.25SS..EExtended strand (participates in β ladder)trans-124.9131.2-179.9-59-172.2143.500111.2L622 T623 L689L622-E676 CarbonylContact C-O 3.57Å; L622-E676 WeakPolarHBondContact CA-O 3.43Å; T623-E676 PolarHBondContact N-O 3.2Å; T623-E676 PolarHBondContact O-N 2.84Å; E676-L689 CarbonylContact C-O 3.58Å; E676-L689 VanDerWaalsContact CA-O 3.29Å; E676-L689 WeakPolarHBondContact CA-O 3.44Å
677M91.9Very high86.1Confident0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-122.3131.6175.6-170.9-172109.100110.5I586 L609 F619 K621 L622 L679 F688 L689 W691I586-M677 HydrophobicContact CD1-CE 3.53Å; I586-M677 HydrophobicContact CG2-SD 4.27Å; L609-M677 HydrophobicContact CD1-SD 3.86Å; F619-M677 HydrophobicContact CB-CE 3.54Å; F619-M677 HydrophobicContact CB-CG 4.14Å; F619-M677 HydrophobicContact CB-SD 4.17Å; F619-M677 HydrophobicContact CD1-CE 4.32Å; F619-M677 HydrophobicContact CD1-SD 4.24Å; F619-M677 HydrophobicContact CD2-CE 4.39Å; F619-M677 HydrophobicContact CD2-CG 3.49Å; F619-M677 VanDerWaalsContact CD2-CG 3.49Å; F619-M677 HydrophobicContact CD2-SD 3.9Å; F619-M677 HydrophobicContact CE2-CG 4Å; F619-M677 HydrophobicContact CE2-SD 4.24Å; F619-M677 HydrophobicContact CG-CE 3.88Å; F619-M677 HydrophobicContact CG-CG 3.95Å; F619-M677 HydrophobicContact CG-SD 3.87Å; K621-M677 CarbonylContact O-C 3.53Å; K621-M677 WeakPolarHBondContact O-CA 3.22Å; L622-M677 HydrophobicContact CD1-CB 4.33Å; M677-L679 HydrophobicContact CE-CD2 3.32Å; M677-L679 HydrophobicContact CE-CG 3.71Å; M677-F688 WeakPolarHBondContact O-CA 3.48Å; M677-L689 HydrophobicContact CB-CB 4.39Å; M677-L689 HydrophobicContact CE-CD1 3.91Å; M677-L689 PolarHBondContact N-O 2.96Å; M677-L689 PolarHBondContact O-N 3.49Å; M677-W691 HydrophobicContact CB-CH2 4.05Å; M677-W691 HydrophobicContact CB-CZ3 3.62Å
678M90.1Very high86.5Confident14 Ų1441 Ų417%0.06922%0.216CC..EExtended strand (participates in β ladder)trans-99.8114.1-179.8-176.7-171134.600111.2F619 S620 K621 N682 C686 F688F619-M678 WeakPolarHBondContact CB-O 3.29Å; S620-M678 VanDerWaalsContact CB-CE 3.5Å; S620-M678 PolarHBondContact N-O 2.82Å; K621-M678 HydrophobicContact CB-CB 3.92Å; K621-M678 HydrophobicContact CB-SD 4.2Å; K621-M678 PolarHBondContact O-N 3.28Å; M678-N682 WeakPolarHBondContact CE-OD1 3.4Å; M678-C686 HydrophobicContact CG-CB 4.44Å; M678-F688 HydrophobicContact CB-CD1 3.97Å; M678-F688 HydrophobicContact CB-CE1 3.85Å; M678-F688 HydrophobicContact CG-CD1 4.17Å; M678-F688 HydrophobicContact CG-CE1 3.75Å; M678-F688 HydrophobicContact CG-CZ 4.13Å; M678-F688 HydrophobicContact SD-CE1 3.98Å; M678-F688 HydrophobicContact SD-CZ 4.15Å
679L87.6Confident86.6Confident4 Ų436.2 Ų36.22%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-88.5147.7166.7-71178.4000111F585 I586 V617 F619 M677 C686 V687 L689F585-L679 HydrophobicContact CZ-CD1 4.47Å; I586-L679 HydrophobicContact CD1-CD1 4.01Å; I586-L679 HydrophobicContact CD1-CD2 4.17Å; I586-L679 HydrophobicContact CD1-CG 4.46Å; V617-L679 HydrophobicContact CG1-CD2 3.81Å; F619-L679 HydrophobicContact CB-CD2 4.01Å; M677-L679 HydrophobicContact CE-CD2 3.32Å; M677-L679 HydrophobicContact CE-CG 3.71Å; L679-C686 WeakPolarHBondContact O-CA 3.48Å; L679-V687 HydrophobicContact CB-CB 4.32Å; L679-V687 PolarHBondContact N-O 3.44Å; L679-V687 PolarHBondContact O-N 3.08Å; L679-L689 HydrophobicContact CD1-CD1 3.84Å; L679-L689 HydrophobicContact CD1-CD2 4.07Å; L679-L689 HydrophobicContact CD1-CG 4.24Å; L679-L689 HydrophobicContact CG-CD1 4.11Å; L679-L689 HydrophobicContact CG-CG 4.36Å
680G81.8Confident86.8Confident15 Ų1532.8 Ų32.816%0.15518%0.184CC..SBendtrans85.3-172.2-177.600000113S620S620-G680 WeakPolarHBondContact CB-O 3.17Å; S620-G680 PolarHBondContact OG-O 3.16Å
681S74.3Confident86.8Confident35 Ų3532.6 Ų32.625%0.24518%0.183CC..  trans-130.2163.3-177.873.90000110.8S683 G684 C686S681-S683 PolarHBondContact O-N 2.99Å; S681-S683 VanDerWaalsContact O-N 3.07Å; S681-S683 PolarHBondContact OG-N 3.5Å; S681-S683 PolarHBondContact OG-OG 3.5Å; S681-G684 CarbonylContact O-C 3.56Å; S681-G684 PolarHBondContact O-N 2.94Å; S681-C686 PolarHBondContact O-SG 3.42Å; S681-C686 VanDerWaalsContact O-SG 3.4Å
682N66.3Low86.7Confident145 Ų14536.8 Ų36.878%0.77520%0.196SC*.THydrogen-bonded Turntrans-62.8-14.4176.2-61-6.2000113.2M678M678-N682 WeakPolarHBondContact CE-OD1 3.4Å
683S69.4Low86.6Confident112 Ų11237.3 Ų37.378%0.78320%0.203SC*.THydrogen-bonded Turntrans-86.3-13.4174.267.20000113.9S681S681-S683 PolarHBondContact O-N 2.99Å; S681-S683 VanDerWaalsContact O-N 3.07Å; S681-S683 PolarHBondContact OG-N 3.5Å; S681-S683 PolarHBondContact OG-OG 3.5Å
684G76.8Confident86.4Confident2 Ų232.5 Ų32.52%0.02118%0.18CC..SBendtrans-125-144.3178.100000111.6S681S681-G684 CarbonylContact O-C 3.56Å; S681-G684 PolarHBondContact O-N 2.94Å
685R84.4Confident86.2Confident29 Ų2932.7 Ų32.711%0.10918%0.183CC..  trans-91.7130.2175.9-160.7174.7-65.6-119.5-3.5110.4L540 N542 M567 N573L540-R685 PolarHBondContact O-N 3.37Å; N542-R685 PolarHBondContact OD1-NE 3.12Å; N542-R685 PolarHBondContact OD1-NH2 3.03Å; M567-R685 PolarHBondContact SD-NH2 3.31Å; N573-R685 CarbonylContact O-C 3.54Å; N573-R685 WeakPolarHBondContact O-CA 3.36Å; N573-R685 WeakPolarHBondContact O-CG 3.3Å
686C86.3Confident85.8Confident9 Ų933 Ų336%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-98117.1177.7-57.20000109.6N573 E574 L575 M678 L679 S681 F688N573-C686 PolarHBondContact O-N 2.89Å; E574-C686 CarbonylContact C-O 3.44Å; E574-C686 WeakPolarHBondContact CA-O 3.45Å; E574-C686 HydrophobicContact CG-CB 4.44Å; L575-C686 PolarHBondContact N-O 2.84Å; M678-C686 HydrophobicContact CG-CB 4.44Å; L679-C686 WeakPolarHBondContact O-CA 3.48Å; S681-C686 PolarHBondContact O-SG 3.42Å; S681-C686 VanDerWaalsContact O-SG 3.4Å; C686-F688 HydrophobicContact CB-CE2 4.11Å; C686-F688 HydrophobicContact CB-CZ 4.46Å
687V89.4Confident85.4Confident1 Ų130.2 Ų30.21%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-109.5112.2176.4-175.40000109.3V511 L540 L575 V577 L679 L689V511-V687 HydrophobicContact CG1-CG1 4.31Å; V511-V687 HydrophobicContact CG1-CG2 4.36Å; L540-V687 HydrophobicContact CD2-CB 4.25Å; L540-V687 HydrophobicContact CD2-CG2 3.37Å; L575-V687 HydrophobicContact CB-CG1 4.49Å; L575-V687 HydrophobicContact CB-CG2 4.23Å; L575-V687 HydrophobicContact CD2-CG1 4.23Å; L575-V687 HydrophobicContact CD2-CG2 4.3Å; L575-V687 CarbonylContact O-C 3.46Å; L575-V687 VanDerWaalsContact O-CA 3.3Å; L575-V687 WeakPolarHBondContact O-CA 3.46Å; V577-V687 HydrophobicContact CG2-CG1 4.06Å; L679-V687 HydrophobicContact CB-CB 4.32Å; L679-V687 PolarHBondContact N-O 3.44Å; L679-V687 PolarHBondContact O-N 3.08Å; V687-L689 HydrophobicContact CG1-CD2 3.8Å
688F90.6Very high84.9Confident43 Ų4331.3 Ų31.319%0.18918%0.182CC..EExtended strand (participates in β ladder)trans-88.4111.7176.2-63.6-82.6000109.9E574 L575 V577 M677 M678 C686E574-F688 HydrophobicContact CB-CE2 4.2Å; E574-F688 HydrophobicContact CG-CE2 4.07Å; L575-F688 PolarHBondContact O-N 2.79Å; V577-F688 PolarHBondContact N-O 2.73Å; M677-F688 WeakPolarHBondContact O-CA 3.48Å; M678-F688 HydrophobicContact CB-CD1 3.97Å; M678-F688 HydrophobicContact CB-CE1 3.85Å; M678-F688 HydrophobicContact CG-CD1 4.17Å; M678-F688 HydrophobicContact CG-CE1 3.75Å; M678-F688 HydrophobicContact CG-CZ 4.13Å; M678-F688 HydrophobicContact SD-CE1 3.98Å; M678-F688 HydrophobicContact SD-CZ 4.15Å; C686-F688 HydrophobicContact CB-CE2 4.11Å; C686-F688 HydrophobicContact CB-CZ 4.46Å
689L92.4Very high84.5Confident1 Ų130.7 Ų30.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-86112.4172.2-46.1-172.2000107.8M515 M579 I586 E676 M677 L679 V687 W691M515-L689 HydrophobicContact CE-CD2 4.34Å; M515-L689 HydrophobicContact SD-CD2 3.73Å; M579-L689 HydrophobicContact CE-CB 3.68Å; M579-L689 HydrophobicContact CE-CD1 4.37Å; M579-L689 HydrophobicContact CE-CD2 3.24Å; M579-L689 HydrophobicContact CE-CG 3.89Å; M579-L689 HydrophobicContact CG-CB 4.11Å; M579-L689 HydrophobicContact SD-CB 4.47Å; I586-L689 HydrophobicContact CB-CD1 4.43Å; I586-L689 HydrophobicContact CD1-CD1 3.63Å; E676-L689 CarbonylContact C-O 3.58Å; E676-L689 VanDerWaalsContact CA-O 3.29Å; E676-L689 WeakPolarHBondContact CA-O 3.44Å; M677-L689 HydrophobicContact CB-CB 4.39Å; M677-L689 HydrophobicContact CE-CD1 3.91Å; M677-L689 PolarHBondContact N-O 2.96Å; M677-L689 PolarHBondContact O-N 3.49Å; L679-L689 HydrophobicContact CD1-CD1 3.84Å; L679-L689 HydrophobicContact CD1-CD2 4.07Å; L679-L689 HydrophobicContact CD1-CG 4.24Å; L679-L689 HydrophobicContact CG-CD1 4.11Å; L679-L689 HydrophobicContact CG-CG 4.36Å; V687-L689 HydrophobicContact CG1-CD2 3.8Å; L689-W691 HydrophobicContact CB-CE3 4.49Å; L689-W691 HydrophobicContact CB-CH2 3.56Å; L689-W691 HydrophobicContact CB-CZ2 4.22Å; L689-W691 HydrophobicContact CB-CZ3 3.72Å; L689-W691 HydrophobicContact CD1-CH2 3.85Å; L689-W691 HydrophobicContact CD1-CZ2 4.4Å; L689-W691 HydrophobicContact CG-CH2 4.38Å; L689-W691 WeakPolarHBondContact O-CZ3 3.49Å
690S92.9Very high84.1Confident23 Ų2331.3 Ų31.316%0.16118%0.184CC..EExtended strand (participates in β ladder)trans-110.4122.5-177.3-1710000110.6V577 M579V577-S690 PolarHBondContact O-N 3.19Å; M579-S690 PolarHBondContact N-O 3.11Å
691W93Very high83.6Confident1 Ų135.2 Ų35.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-107.5138.8172.4-64.8-89.3000110.1M579 I586 C588 G674 I675 M677 L689 G696M579-W691 VanDerWaalsContact CB-CD1 3.43Å; M579-W691 HydrophobicContact CB-CD2 4.22Å; M579-W691 HydrophobicContact CB-CG 4.02Å; M579-W691 VanDerWaalsContact CB-NE1 3.28Å; M579-W691 HydrophobicContact CG-CD2 4.14Å; M579-W691 HydrophobicContact CG-CG 4.44Å; M579-W691 HydrophobicContact CG-CZ2 3.92Å; I586-W691 HydrophobicContact CG2-CH2 4.04Å; I586-W691 HydrophobicContact CG2-CZ2 4.08Å; C588-W691 HydrophobicContact CB-CD2 3.61Å; C588-W691 HydrophobicContact CB-CE3 4.06Å; C588-W691 HydrophobicContact CB-CG 4Å; C588-W691 HydrophobicContact CB-CH2 4.31Å; C588-W691 HydrophobicContact CB-CZ2 3.89Å; C588-W691 HydrophobicContact CB-CZ3 4.38Å; G674-W691 CarbonylContact C-O 3.57Å; G674-W691 WeakPolarHBondContact CA-O 3.46Å; I675-W691 HydrophobicContact CB-CB 4.42Å; I675-W691 HydrophobicContact CB-CE3 4.41Å; I675-W691 HydrophobicContact CG2-CE3 4.28Å; I675-W691 PolarHBondContact N-O 3.43Å; I675-W691 PolarHBondContact O-N 3.02Å; M677-W691 HydrophobicContact CB-CH2 4.05Å; M677-W691 HydrophobicContact CB-CZ3 3.62Å; L689-W691 HydrophobicContact CB-CE3 4.49Å; L689-W691 HydrophobicContact CB-CH2 3.56Å; L689-W691 HydrophobicContact CB-CZ2 4.22Å; L689-W691 HydrophobicContact CB-CZ3 3.72Å; L689-W691 HydrophobicContact CD1-CH2 3.85Å; L689-W691 HydrophobicContact CD1-CZ2 4.4Å; L689-W691 HydrophobicContact CG-CH2 4.38Å; L689-W691 WeakPolarHBondContact O-CZ3 3.49Å; W691-G696 VanDerWaalsContact CD1-O 3.22Å
692R90.6Very high83.4Confident154 Ų15437 Ų3758%0.58121%0.209SC*.EExtended strand (participates in β ladder)trans-81.1140.9174.7-63.2-176-172.6-179.32.8110.3E578 A694 G695E578-R692 IonicContact OE1-NH2 2.9Å; E578-R692 IonicContact OE2-CZ 2.78Å; E578-R692 IonicContact OE2-NE 3.73Å; E578-R692 PolarHBondContact OE2-NE 3.03Å; E578-R692 IonicContact OE2-NH2 3.02Å; E578-R692 PolarHBondContact OE2-NH2 2.85Å; R692-A694 PolarHBondContact O-N 3.45Å; R692-G695 PolarHBondContact O-N 3.19Å
693G89.8Confident83.8Confident18 Ų1832.7 Ų32.719%0.18618%0.184CC..THydrogen-bonded Turntrans60.1-128176.900000113.9M672 M673 G695M672-G693 WeakPolarHBondContact O-CA 3.17Å; M673-G693 PolarHBondContact O-N 3.48Å; G693-G695 VanDerWaalsContact C-N 3.32Å; G693-G695 PolarHBondContact O-N 3.39Å
694A88.1Confident83.8Confident8 Ų829.6 Ų29.67%0.06617%0.166CC..THydrogen-bonded Turntrans-8813.8-176.500000114.6K589 A590 M672 R692 M731 H733K589-A694 CarbonylContact C-O 3.58Å; A590-A694 HydrophobicContact CB-CB 4.45Å; A590-A694 PolarHBondContact N-O 2.91Å; A590-A694 WeakPolarHBondContact O-CB 3.44Å; M672-A694 HydrophobicContact SD-CB 4.17Å; R692-A694 PolarHBondContact O-N 3.45Å; A694-M731 HydrophobicContact CB-CB 4.01Å; A694-H733 HydrophobicContact CB-CB 3.76Å
695G87.2Confident83.6Confident11 Ų1134.7 Ų34.711%0.11319%0.192CC..BIsolated β-bridgetrans98.1-166.1-175.900000114.1C588 R692 G693C588-G695 CarbonylContact O-C 3.42Å; C588-G695 WeakPolarHBondContact O-CA 3.42Å; R692-G695 PolarHBondContact O-N 3.19Å; G693-G695 VanDerWaalsContact C-N 3.32Å; G693-G695 PolarHBondContact O-N 3.39Å
696G85.4Confident82.8Confident6 Ų638.5 Ų38.56%0.06221%0.211CC..  trans97.8169.6-173.100000113.9C588 W691 S700C588-G696 PolarHBondContact O-N 3.2Å; W691-G696 VanDerWaalsContact CD1-O 3.22Å; G696-S700 WeakPolarHBondContact CA-OG 3.46Å
697D85.1Confident81.8Confident3 Ų339.5 Ų39.52%0.01622%0.22CC..  trans-139.9-174.7-174.66420.2000110.6R520 Y582 A699 S700R520-D697 IonicContact CZ-OD2 2.73Å; R520-D697 IonicContact NH1-OD2 3.94Å; R520-D697 PolarHBondContact NH1-OD2 3.19Å; R520-D697 VanDerWaalsContact NH2-CG 3.32Å; R520-D697 IonicContact NH2-OD1 3.7Å; R520-D697 PolarHBondContact NH2-OD1 3.18Å; R520-D697 VanDerWaalsContact NH2-OD1 3.1Å; R520-D697 IonicContact NH2-OD2 3.67Å; R520-D697 PolarHBondContact NH2-OD2 2.82Å; Y582-D697 WeakPolarHBondContact O-CB 3.31Å; D697-A699 PolarHBondContact O-N 3.34Å; D697-A699 VanDerWaalsContact O-N 3.1Å; D697-A699 PolarHBondContact OD1-N 3.29Å; D697-S700 VanDerWaalsContact CG-OG 3.27Å; D697-S700 PolarHBondContact N-OG 3.12Å; D697-S700 WeakPolarHBondContact O-CB 3.31Å; D697-S700 PolarHBondContact O-N 2.84Å; D697-S700 VanDerWaalsContact O-N 3.16Å; D697-S700 WeakPolarHBondContact OD1-CB 3.34Å; D697-S700 PolarHBondContact OD1-N 2.79Å; D697-S700 PolarHBondContact OD1-OG 3.28Å
698A82.3Confident80.6Confident24 Ų2443 Ų4320%0.19825%0.245CC..THydrogen-bonded Turntrans-59.1-24.5-177.400000114Q580 Y582 I583Q580-A698 WeakPolarHBondContact O-CA 3.5Å; Q580-A698 PolarHBondContact O-N 2.97Å; Y582-A698 PolarHBondContact O-N 3.02Å; Y582-A698 VanDerWaalsContact O-N 3.13Å; I583-A698 HydrophobicContact CG1-CB 4.09Å
699A80.7Confident79.4Confident1 Ų150.3 Ų50.31%0.00827%0.271CS..THydrogen-bonded Turntrans-94.9-19.9-179.500000113.8R485 W487 I583 D697 T701 Q702 E703R485-A699 PolarHBondContact NH2-O 2.91Å; W487-A699 HydrophobicContact CH2-CB 4.33Å; I583-A699 HydrophobicContact CD1-CB 3.93Å; I583-A699 HydrophobicContact CG1-CB 4.17Å; D697-A699 PolarHBondContact O-N 3.34Å; D697-A699 VanDerWaalsContact O-N 3.1Å; D697-A699 PolarHBondContact OD1-N 3.29Å; A699-T701 PolarHBondContact O-N 2.69Å; A699-Q702 PolarHBondContact O-N 2.94Å; A699-E703 WeakPolarHBondContact O-CG 3.36Å; A699-E703 PolarHBondContact O-N 3.15Å; A699-E703 VanDerWaalsContact O-N 3.13Å
700S79.4Confident77.7Confident16 Ų1653.9 Ų53.911%0.11230%0.296CS..Hα-helixtrans-60.8-34.9-167-69.60000114.7G696 D697 E703 A704G696-S700 WeakPolarHBondContact CA-OG 3.46Å; D697-S700 VanDerWaalsContact CG-OG 3.27Å; D697-S700 PolarHBondContact N-OG 3.12Å; D697-S700 WeakPolarHBondContact O-CB 3.31Å; D697-S700 PolarHBondContact O-N 2.84Å; D697-S700 VanDerWaalsContact O-N 3.16Å; D697-S700 WeakPolarHBondContact OD1-CB 3.34Å; D697-S700 PolarHBondContact OD1-N 2.79Å; D697-S700 PolarHBondContact OD1-OG 3.28Å; S700-E703 PolarHBondContact O-N 3.49Å; S700-A704 WeakPolarHBondContact O-CB 3.37Å; S700-A704 PolarHBondContact O-N 3.17Å
701T70.4Confident75.8Confident97 Ų9757.1 Ų57.160%0.59532%0.318SS*.Hα-helixtrans-65.1-45.3-179.651.10000112.4A699 L705A699-T701 PolarHBondContact O-N 2.69Å; T701-L705 WeakPolarHBondContact O-CG 3.43Å; T701-L705 PolarHBondContact O-N 3.4Å
702Q71.4Confident73.9Confident72 Ų7268 Ų6834%0.33636%0.359SS..Hα-helixtrans-71.7-32.7175.7-74.9175.9-4.200111.8T483 A699 L705 Q706T483-Q702 PolarHBondContact O-NE2 2.87Å; T483-Q702 PolarHBondContact O-OE1 2.72Å; A699-Q702 PolarHBondContact O-N 2.94Å; Q702-L705 PolarHBondContact O-N 2.84Å; Q702-Q706 WeakPolarHBondContact O-CG 3.35Å; Q702-Q706 PolarHBondContact O-N 2.84Å
703E73.9Confident71.8Confident56 Ų5671.5 Ų71.526%0.26237%0.373SS..Hα-helixtrans-64.8-43.9175.5-71.2177.4163.700110.6R520 A699 S700 L705 Q706 A707R520-E703 IonicContact CZ-OE1 3.1Å; R520-E703 IonicContact CZ-OE2 3.58Å; R520-E703 IonicContact NE-OE1 3.43Å; R520-E703 PolarHBondContact NE-OE1 3.36Å; R520-E703 IonicContact NE-OE2 3.71Å; R520-E703 IonicContact NH2-OE1 3.23Å; R520-E703 PolarHBondContact NH2-OE1 3.01Å; R520-E703 IonicContact NH2-OE2 3.04Å; R520-E703 PolarHBondContact NH2-OE2 2.87Å; A699-E703 WeakPolarHBondContact O-CG 3.36Å; A699-E703 PolarHBondContact O-N 3.15Å; A699-E703 VanDerWaalsContact O-N 3.13Å; S700-E703 PolarHBondContact O-N 3.49Å; E703-L705 VanDerWaalsContact C-N 3.32Å; E703-L705 PolarHBondContact O-N 2.9Å; E703-Q706 PolarHBondContact O-N 3.38Å; E703-Q706 VanDerWaalsContact O-N 3.14Å; E703-A707 WeakPolarHBondContact O-CB 3.21Å; E703-A707 PolarHBondContact O-N 3.24Å
704A70.6Confident69.6Low47 Ų4782 Ų8239%0.38841%0.407SS..Hα-helixtrans-59.9-39.517500000112.7S700 S708S700-A704 WeakPolarHBondContact O-CB 3.37Å; S700-A704 PolarHBondContact O-N 3.17Å; A704-S708 WeakPolarHBondContact O-CB 3.37Å; A704-S708 PolarHBondContact O-N 2.77Å; A704-S708 PolarHBondContact O-OG 2.85Å
705L70.7Confident67.5Low109 Ų10985 Ų8557%0.57144%0.439SS*.Hα-helixtrans-65.5-37.8175-74.4169.7000112.6T701 Q702 E703 R709T701-L705 WeakPolarHBondContact O-CG 3.43Å; T701-L705 PolarHBondContact O-N 3.4Å; Q702-L705 PolarHBondContact O-N 2.84Å; E703-L705 VanDerWaalsContact C-N 3.32Å; E703-L705 PolarHBondContact O-N 2.9Å; L705-R709 WeakPolarHBondContact O-CG 3.25Å; L705-R709 PolarHBondContact O-N 2.66Å
706Q68.6Low65.5Low108 Ų10896.4 Ų96.451%0.50548%0.479SS..Hα-helixtrans-71.8-45.9176.9-73.7177.5-11.200111.7R485 Q702 E703 S708 R709 S710R485-Q706 VanDerWaalsContact NH1-CD 3.34Å; Q702-Q706 WeakPolarHBondContact O-CG 3.35Å; Q702-Q706 PolarHBondContact O-N 2.84Å; E703-Q706 PolarHBondContact O-N 3.38Å; E703-Q706 VanDerWaalsContact O-N 3.14Å; Q706-S708 VanDerWaalsContact C-N 3.28Å; Q706-S708 PolarHBondContact O-N 3.27Å; Q706-R709 WeakPolarHBondContact O-CB 3.37Å; Q706-R709 PolarHBondContact O-N 2.93Å; Q706-S710 PolarHBondContact O-N 2.99Å; Q706-S710 PolarHBondContact O-OG 3.09Å; Q706-S710 VanDerWaalsContact O-OG 3.12Å
707A66.2Low63.4Low31 Ų3199.5 Ų99.526%0.25651%0.51SS..Hα-helixtrans-57.7-40.5176.700000112E703 R709 S710 S711E703-A707 WeakPolarHBondContact O-CB 3.21Å; E703-A707 PolarHBondContact O-N 3.24Å; A707-R709 PolarHBondContact O-N 3.36Å; A707-S710 WeakPolarHBondContact CA-OG 3.36Å; A707-S710 PolarHBondContact O-N 2.73Å; A707-S710 PolarHBondContact O-OG 2.78Å; A707-S710 VanDerWaalsContact O-OG 3.1Å; A707-S711 VanDerWaalsContact O-CB 3.3Å; A707-S711 WeakPolarHBondContact O-CB 3.31Å; A707-S711 PolarHBondContact O-N 2.72Å
708S64.3Low61.1Low75 Ų75105.4 Ų105.452%0.52454%0.542SS..Hα-helixtrans-63.6-27.6175.5-60.10000113.3A704 Q706A704-S708 WeakPolarHBondContact O-CB 3.37Å; A704-S708 PolarHBondContact O-N 2.77Å; A704-S708 PolarHBondContact O-OG 2.85Å; Q706-S708 VanDerWaalsContact C-N 3.28Å; Q706-S708 PolarHBondContact O-N 3.27Å
709R64.1Low59.3Low196 Ų196113.4 Ų113.474%0.7458%0.575SS**Hα-helixtrans-84.9-35178.5-70.1173.5179.6-169.60.7112.3L705 Q706 A707L705-R709 WeakPolarHBondContact O-CG 3.25Å; L705-R709 PolarHBondContact O-N 2.66Å; Q706-R709 WeakPolarHBondContact O-CB 3.37Å; Q706-R709 PolarHBondContact O-N 2.93Å; A707-R709 PolarHBondContact O-N 3.36Å
710S56.8Low57.5Low76 Ų76117.9 Ų117.953%0.53161%0.612SS.*Hα-helixtrans-77.9-32.917845.60000112.9Q706 A707 R712 R713Q706-S710 PolarHBondContact O-N 2.99Å; Q706-S710 PolarHBondContact O-OG 3.09Å; Q706-S710 VanDerWaalsContact O-OG 3.12Å; A707-S710 WeakPolarHBondContact CA-OG 3.36Å; A707-S710 PolarHBondContact O-N 2.73Å; A707-S710 PolarHBondContact O-OG 2.78Å; A707-S710 VanDerWaalsContact O-OG 3.1Å; S710-R712 PolarHBondContact O-N 3.42Å; S710-R713 PolarHBondContact O-N 3.25Å
711S54Low55.7Low90 Ų90126.8 Ų126.863%0.62964%0.643SS**G310 helixtrans-55.7-30.9175.4164.50000113.6A707 R713A707-S711 VanDerWaalsContact O-CB 3.3Å; A707-S711 WeakPolarHBondContact O-CB 3.31Å; A707-S711 PolarHBondContact O-N 2.72Å; S711-R713 PolarHBondContact O-N 2.73Å
712R52.4Low54.6Low229 Ų229132.2 Ų132.286%0.86466%0.662SS**G310 helixtrans-71.5-8.9177.3-65.9-172.7-168.6-171.91.6114.7S710S710-R712 PolarHBondContact O-N 3.42Å
713R46.5Very low53.9Low229 Ų229135.9 Ų135.986%0.86468%0.679SS**G310 helixtrans-100.5-9.9-178.8-83.8-172.6-177.2-163.40.4115.1S710 S711S710-R713 PolarHBondContact O-N 3.25Å; S711-R713 PolarHBondContact O-N 2.73Å
714W44.1Very low53.5Low238 Ų238137.5 Ų137.590%0.90269%0.689SS**  trans-122.269.1-176.9-108.921000111.3
715G42.6Very low53.9Low72 Ų72139.7 Ų139.774%0.74269%0.694SS**  trans-107.269164.800000110.2
716R44.9Very low54.4Low250 Ų250135 Ų13594%0.94367%0.669SS**SBendtrans-176.5111.3157.4-104169-156-118.95.8110.5
717G42.8Very low54.8Low70 Ų70135.1 Ų135.172%0.72267%0.673SS**  trans101.797.8161.900000115.5
718N36.8Very low55.3Low128 Ų128137.2 Ų137.268%0.68469%0.686SS**  17894.5125.5-99.5-0.2000110.6
719E44.4Very low56.2Low191 Ų191134.3 Ų134.389%0.89367%0.665SS**SBendtrans-67.4141.7139-70.4177.115700107.3
720A43Very low57Low96 Ų96129.7 Ų129.779%0.79366%0.658SS**  trans81.567.4-179.500000118.1
721R41.9Very low58.5Low202 Ų202129.9 Ų129.976%0.76265%0.651SS**  trans-134.4120.2141.2-77.9-169.9177.3171.2-2109.9E723R721-E723 PolarHBondContact O-N 3.5Å
722Q47.3Very low60.1Low211 Ų211127.8 Ų127.899%0.98663%0.632SS**  trans-813.8177.9-123.4173.35.500112.9
723E56.2Low61.9Low150 Ų150121.5 Ų121.570%0.70161%0.612SS**SBendtrans-99.5128.5179.8-70.9-173.5151.400111R721 D725R721-E723 PolarHBondContact O-N 3.5Å; E723-D725 PolarHBondContact O-N 3.34Å
724L66.1Low64.1Low89 Ų89111.7 Ų111.747%0.46658%0.578SS.*  trans-57.6115.4172.7-85.8143000110.3F608 P652 W726 L729F608-L724 HydrophobicContact CE1-CD2 3.96Å; P652-L724 HydrophobicContact CG-CB 3.93Å; L724-W726 PolarHBondContact O-N 3.36Å; L724-L729 HydrophobicContact CD2-CD2 4.24Å
725D77.6Confident66.4Low93 Ų93100.4 Ų100.450%0.49754%0.536SS..  trans-76.3107172.9179.213.5000110.3E723 D727 S728E723-D725 PolarHBondContact O-N 3.34Å; D725-D727 PolarHBondContact O-N 3.5Å; D725-D727 PolarHBondContact OD1-N 3.27Å; D725-S728 PolarHBondContact O-N 3.18Å; D725-S728 VanDerWaalsContact O-N 3.16Å; D725-S728 PolarHBondContact O-OG 3.1Å
726W82.4Confident68.7Low11 Ų11100.3 Ų100.34%0.04252%0.517CS..G310 helixtrans-56.8-33.7-178-176.4-99.2000113.1Q587 K589 F608 R610 P652 L724 S728 L729Q587-W726 HydrophobicContact CB-CH2 4.06Å; Q587-W726 HydrophobicContact CB-CZ2 3.4Å; Q587-W726 VanDerWaalsContact CB-CZ2 3.4Å; Q587-W726 HydrophobicContact CG-CZ2 4.46Å; K589-W726 HydrophobicContact CB-CH2 4.43Å; K589-W726 HydrophobicContact CD-CZ2 3.98Å; K589-W726 HydrophobicContact CG-CH2 4.24Å; K589-W726 HydrophobicContact CG-CZ2 3.86Å; K589-W726 PolarHBondContact NZ-O 3.09Å; F608-W726 HydrophobicContact CB-CH2 4.34Å; F608-W726 HydrophobicContact CB-CZ3 3.82Å; R610-W726 HydrophobicContact CB-CD2 4.21Å; R610-W726 HydrophobicContact CB-CE3 3.85Å; R610-W726 HydrophobicContact CB-CH2 3.63Å; R610-W726 HydrophobicContact CB-CZ2 4.05Å; R610-W726 HydrophobicContact CB-CZ3 3.51Å; P652-W726 HydrophobicContact CB-CE3 3.72Å; P652-W726 HydrophobicContact CB-CZ3 3.99Å; L724-W726 PolarHBondContact O-N 3.36Å; W726-S728 VanDerWaalsContact C-N 3.34Å; W726-L729 HydrophobicContact CD2-CD1 4.43Å; W726-L729 HydrophobicContact CE3-CD1 3.84Å; W726-L729 HydrophobicContact CZ3-CD1 4.3Å; W726-L729 WeakPolarHBondContact O-CB 3.44Å; W726-L729 PolarHBondContact O-N 3.42Å
727D77.1Confident70.9Confident110 Ų11088.4 Ų88.459%0.58847%0.472SS*.G310 helixtrans-78.6-22.5-175.7-66.2-24000112D725 L729D725-D727 PolarHBondContact O-N 3.5Å; D725-D727 PolarHBondContact OD1-N 3.27Å; D727-L729 VanDerWaalsContact C-N 3.35Å
728S76.4Confident73.1Confident76 Ų7687.7 Ų87.753%0.53145%0.451SS..G310 helixtrans-78.9-14.6174.277.40000114D725 W726 T730D725-S728 PolarHBondContact O-N 3.18Å; D725-S728 VanDerWaalsContact O-N 3.16Å; D725-S728 PolarHBondContact O-OG 3.1Å; W726-S728 VanDerWaalsContact C-N 3.34Å; S728-T730 PolarHBondContact O-N 3.12Å
729L82.8Confident75.3Confident14 Ų1483.8 Ų83.87%0.07343%0.434CS..  trans-70.3114.3-179.2-68.5176.6000111.3K589 F608 L724 W726 D727K589-L729 HydrophobicContact CD-CB 3.92Å; F608-L729 HydrophobicContact CB-CD1 4.07Å; F608-L729 HydrophobicContact CD1-CD1 3.96Å; F608-L729 HydrophobicContact CD2-CD1 4.16Å; F608-L729 HydrophobicContact CD2-CD2 4.44Å; F608-L729 HydrophobicContact CE1-CD1 4.45Å; F608-L729 HydrophobicContact CE1-CD2 4.19Å; F608-L729 HydrophobicContact CE2-CD2 4.13Å; F608-L729 HydrophobicContact CG-CD1 3.81Å; F608-L729 HydrophobicContact CZ-CD2 4Å; L724-L729 HydrophobicContact CD2-CD2 4.24Å; W726-L729 HydrophobicContact CD2-CD1 4.43Å; W726-L729 HydrophobicContact CE3-CD1 3.84Å; W726-L729 HydrophobicContact CZ3-CD1 4.3Å; W726-L729 WeakPolarHBondContact O-CB 3.44Å; W726-L729 PolarHBondContact O-N 3.42Å; D727-L729 VanDerWaalsContact C-N 3.35Å
730T81.6Confident77.2Confident98 Ų9875.7 Ų75.760%0.60140%0.395SS*.  trans-87.5135.6172.153.40000110.9S728S728-T730 PolarHBondContact O-N 3.12Å
731M87.1Confident79.1Confident80 Ų8075 Ų7539%0.39438%0.381SS..  trans-82.6131.9173.2-67.6179.6-68.500109.6K589 A590 A694K589-M731 HydrophobicContact CB-CG 4.15Å; K589-M731 HydrophobicContact CG-CG 4.17Å; K589-M731 HydrophobicContact CG-SD 4.33Å; A590-M731 WeakPolarHBondContact O-CA 3.43Å; A694-M731 HydrophobicContact CB-CB 4.01Å
732Q87.8Confident81.1Confident46 Ų4667.2 Ų67.222%0.21536%0.357CS..BIsolated β-bridgetrans-129.793.7177.2-166.5-174.7-5200109.8A590 R591 F592 S594 P595 M672 S734A590-Q732 PolarHBondContact O-N 3.16Å; A590-Q732 VanDerWaalsContact O-N 3.16Å; R591-Q732 WeakPolarHBondContact CA-O 3.4Å; R591-Q732 HydrophobicContact CB-CB 3.76Å; F592-Q732 WeakPolarHBondContact CD2-O 3.33Å; F592-Q732 PolarHBondContact N-O 2.88Å; F592-Q732 PolarHBondContact O-OE1 3.07Å; S594-Q732 PolarHBondContact O-NE2 3.08Å; P595-Q732 VanDerWaalsContact N-NE2 3.12Å; M672-Q732 WeakPolarHBondContact CE-O 3.46Å; Q732-S734 VanDerWaalsContact C-N 3.31Å; Q732-S734 PolarHBondContact NE2-O 3.42Å; Q732-S734 PolarHBondContact O-N 3.4Å
733H89.7Confident82.9Confident97 Ų9763 Ų6345%0.44933%0.332SS..  trans-77-10.4-170.369-83.1000115E671 M672 A694E671-H733 WeakPolarHBondContact CA-O 3.38Å; M672-H733 PolarHBondContact N-O 2.83Å; A694-H733 HydrophobicContact CB-CB 3.76Å
734S92.8Very high84.5Confident23 Ų2356.2 Ų56.216%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-146.2157.5-177.766.80000113.9K669 V670 Q732K669-S734 WeakPolarHBondContact CE-OG 3.36Å; V670-S734 CarbonylContact O-C 3.52Å; V670-S734 VanDerWaalsContact O-CA 3.28Å; V670-S734 WeakPolarHBondContact O-CA 3.29Å; Q732-S734 VanDerWaalsContact C-N 3.31Å; Q732-S734 PolarHBondContact NE2-O 3.42Å; Q732-S734 PolarHBondContact O-N 3.4Å
735T93.1Very high85.5Confident1 Ų153.6 Ų53.61%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-141.8153.3170.8-1650000111.3F592 S594 P595 C596 F597 I603 V670F592-T735 HydrophobicContact CB-CG2 4.5Å; F592-T735 HydrophobicContact CD1-CG2 3.63Å; F592-T735 HydrophobicContact CD2-CG2 4.16Å; F592-T735 HydrophobicContact CE1-CG2 3.75Å; F592-T735 HydrophobicContact CE2-CG2 4.27Å; F592-T735 HydrophobicContact CG-CG2 3.84Å; F592-T735 HydrophobicContact CZ-CG2 4.08Å; S594-T735 PolarHBondContact O-OG1 2.83Å; P595-T735 VanDerWaalsContact C-OG1 3.3Å; P595-T735 WeakPolarHBondContact O-CA 3.33Å; P595-T735 PolarHBondContact O-OG1 2.97Å; C596-T735 PolarHBondContact N-OG1 3.15Å; F597-T735 HydrophobicContact CD2-CG2 4.01Å; F597-T735 VanDerWaalsContact CD2-OG1 3.24Å; F597-T735 WeakPolarHBondContact CD2-OG1 3.45Å; F597-T735 HydrophobicContact CE2-CG2 4.28Å; I603-T735 HydrophobicContact CG2-CG2 4.41Å; V670-T735 HydrophobicContact CB-CG2 4.29Å; V670-T735 PolarHBondContact N-O 3.26Å; V670-T735 PolarHBondContact O-N 2.79Å
736M91.6Very high86.1Confident70 Ų7049.6 Ų49.635%0.34527%0.268SS..EExtended strand (participates in β ladder)trans-101.6135.9175.7-69.2-63.4-61.600110.8P595 C596 F597 G667 K669 I738P595-M736 PolarHBondContact O-N 3.43Å; C596-M736 CarbonylContact C-O 3.58Å; C596-M736 WeakPolarHBondContact CA-O 3.48Å; C596-M736 HydrophobicContact CB-CB 4.17Å; C596-M736 WeakPolarHBondContact CB-O 3.47Å; F597-M736 PolarHBondContact N-O 3.34Å; G667-M736 WeakPolarHBondContact O-CE 3.41Å; K669-M736 HydrophobicContact CB-SD 3.5Å; K669-M736 WeakPolarHBondContact CB-SD 3.39Å; K669-M736 HydrophobicContact CD-SD 4.38Å; K669-M736 HydrophobicContact CG-SD 3.73Å; M736-I738 HydrophobicContact CB-CG2 4.42Å
737I90.4Very high86.4Confident1 Ų154.6 Ų54.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-88.9118.6170.7-60.8163.2000107.6F597 V599 I603 A661 D665 V666 G667 K668 V670F597-I737 WeakPolarHBondContact O-CA 3.39Å; V599-I737 HydrophobicContact CB-CG2 4.27Å; V599-I737 HydrophobicContact CG2-CG2 4.47Å; I603-I737 HydrophobicContact CD1-CD1 4.27Å; I603-I737 HydrophobicContact CD1-CG1 4.07Å; A661-I737 HydrophobicContact CB-CD1 3.74Å; A661-I737 HydrophobicContact CB-CG1 4.07Å; A661-I737 HydrophobicContact CB-CG2 3.96Å; D665-I737 HydrophobicContact CB-CD1 3.57Å; D665-I737 WeakPolarHBondContact O-CB 3.47Å; V666-I737 HydrophobicContact CG2-CG2 4.21Å; G667-I737 PolarHBondContact N-O 3.11Å; K668-I737 PolarHBondContact O-N 3.47Å; K668-I737 VanDerWaalsContact O-N 3.14Å; V670-I737 HydrophobicContact CG2-CD1 3.59Å; V670-I737 HydrophobicContact CG2-CG1 4.2Å
738I87.9Confident87.1Confident54 Ų5451.6 Ų51.628%0.27728%0.275SS..EExtended strand (participates in β ladder)trans-112.8155.6-178.255.6172.2000111C596 F597 H598 V599 M736C596-I738 HydrophobicContact CB-CD1 3.94Å; C596-I738 HydrophobicContact CB-CG1 4.23Å; C596-I738 HydrophobicContact CB-CG2 4.23Å; F597-I738 WeakPolarHBondContact O-CG1 3.41Å; F597-I738 PolarHBondContact O-N 2.89Å; H598-I738 WeakPolarHBondContact CA-O 3.39Å; H598-I738 WeakPolarHBondContact CE1-CD1 3.36Å; V599-I738 PolarHBondContact N-O 3.14Å; M736-I738 HydrophobicContact CB-CG2 4.42Å
739S83.1Confident87.6Confident46 Ų4651.9 Ų51.932%0.32228%0.278SS..PPolyproline II helixtrans-60.5153.1178.556.90000110.8H598H598-S739 PolarHBondContact ND1-O 3.48Å
740R84.7Confident87.9Confident21 Ų2154 Ų548%0.07929%0.287CS..PPolyproline II helixtrans-55.4143.2172.7176.4167.4-175.5-965.6110.6V599 D600 P742 E770 C862V599-R740 HydrophobicContact CG1-CB 4.34Å; D600-R740 HydrophobicContact CB-CG 4.38Å; D600-R740 WeakPolarHBondContact OD2-CD 3.42Å; D600-R740 VanDerWaalsContact OD2-CG 3.3Å; D600-R740 WeakPolarHBondContact OD2-CG 3.34Å; D600-R740 IonicContact OD2-NE 2.61Å; D600-R740 PolarHBondContact OD2-NE 3.47Å; R740-P742 WeakPolarHBondContact O-CD 3.44Å; R740-E770 IonicContact CZ-OE1 3.6Å; R740-E770 IonicContact CZ-OE2 2.77Å; R740-E770 IonicContact NH1-OE1 2.76Å; R740-E770 PolarHBondContact NH1-OE1 3.47Å; R740-E770 IonicContact NH1-OE2 2.9Å; R740-E770 PolarHBondContact NH1-OE2 2.86Å; R740-E770 IonicContact NH2-OE1 2.96Å; R740-E770 IonicContact NH2-OE2 2.88Å; R740-E770 PolarHBondContact NH2-OE2 2.82Å; R740-C862 HydrophobicContact CB-CB 4.26Å
741V84.2Confident88.2Confident83 Ų8354.3 Ų54.350%0.50328%0.281SS..PPolyproline II helixtrans-66.4120.4173.4-176.50000108.8H598H598-V741 WeakPolarHBondContact CE1-CG2 3.3Å
742P83.9Confident88.1Confident38 Ų3853.4 Ų53.425%0.24728%0.282CS..PPolyproline II helixtrans-70.4135-179.631.4-38.3000110.8R740 Y849 C864 H865 K866R740-P742 WeakPolarHBondContact O-CD 3.44Å; P742-Y849 WeakPolarHBondContact CA-OH 3.34Å; P742-Y849 HydrophobicContact CB-CE1 4.11Å; P742-Y849 WeakPolarHBondContact CB-OH 3.38Å; P742-C864 HydrophobicContact CB-CB 4.25Å; P742-H865 VanDerWaalsContact CG-O 3.28Å; P742-H865 WeakPolarHBondContact CG-O 3.24Å; P742-K866 HydrophobicContact CG-CB 4.47Å
743R85.3Confident88.3Confident122 Ų12252.2 Ų52.246%0.4628%0.278SS..  trans-106.956.9171-54.7-178.4174.4-177.6-1111.5Q769 E770 Y849R743-Q769 HydrophobicContact CB-CB 4.23Å; R743-Q769 CarbonylContact O-C 3.56Å; R743-Q769 VanDerWaalsContact O-CA 3.27Å; R743-Q769 WeakPolarHBondContact O-CA 3.31Å; R743-Q769 WeakPolarHBondContact O-CB 3.46Å; R743-Q769 PolarHBondContact O-N 3Å; R743-E770 HydrophobicContact CB-CG 4.12Å; R743-E770 WeakPolarHBondContact CB-OE1 3.3Å; R743-E770 PolarHBondContact N-OE1 2.84Å; R743-E770 PolarHBondContact O-N 2.97Å; R743-Y849 PolarHBondContact N-OH 3.43Å; R743-Y849 VanDerWaalsContact N-OH 3.11Å
744I88Confident88.3Confident7 Ų747.7 Ų47.74%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-122.6134.2170.6-65.4-168.9000108.3V746 V766 Q767 A774 Y849I744-V746 HydrophobicContact CG2-CG2 4.36Å; I744-V766 HydrophobicContact CG2-CG1 3.55Å; I744-Q767 WeakPolarHBondContact CA-O 3.15Å; I744-A774 HydrophobicContact CD1-CB 4.2Å; I744-Y849 HydrophobicContact CB-CE1 4.24Å; I744-Y849 HydrophobicContact CD1-CD1 3.36Å; I744-Y849 HydrophobicContact CD1-CD2 4.03Å; I744-Y849 HydrophobicContact CD1-CE1 3.31Å; I744-Y849 HydrophobicContact CD1-CE2 3.98Å; I744-Y849 HydrophobicContact CD1-CG 3.72Å; I744-Y849 HydrophobicContact CG1-CD1 4.23Å; I744-Y849 HydrophobicContact CG1-CE1 3.65Å; I744-Y849 HydrophobicContact CG1-CE2 4.31Å
745C87.4Confident88.2Confident35 Ų3546.7 Ų46.724%0.23625%0.25CC..EExtended strand (participates in β ladder)trans-98.2133175-175.10000109.6V766 Q767C745-V766 CarbonylContact O-C 3.54Å; C745-V766 WeakPolarHBondContact O-CA 3.19Å; C745-Q767 HydrophobicContact CB-CB 4.37Å; C745-Q767 PolarHBondContact N-O 3.33Å; C745-Q767 PolarHBondContact O-N 2.99Å
746V90Very high88Confident9 Ų947.5 Ų47.56%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-122.5123.5177.4178.20000107.6I744 L764 T765 V766 V847 K866 E868I744-V746 HydrophobicContact CG2-CG2 4.36Å; V746-L764 HydrophobicContact CG1-CD1 3.41Å; V746-L764 VanDerWaalsContact CG1-CD1 3.41Å; V746-T765 WeakPolarHBondContact CA-O 3.33Å; V746-V766 HydrophobicContact CG2-CG2 4.49Å; V746-V847 HydrophobicContact CG2-CB 4.27Å; V746-V847 HydrophobicContact CG2-CG2 3.76Å; V746-K866 HydrophobicContact CG2-CG 3.98Å; V746-E868 HydrophobicContact CB-CB 4.48Å; V746-E868 HydrophobicContact CB-CG 3.67Å; V746-E868 HydrophobicContact CG1-CB 4.05Å; V746-E868 HydrophobicContact CG1-CG 3.77Å
747Q89.1Confident87.8Confident116 Ų11647.4 Ų47.454%0.54226%0.256SS..EExtended strand (participates in β ladder)trans-123138.8-179.8-64.5-178.5-19.300110.1L764 T765Q747-L764 WeakPolarHBondContact O-CA 3.36Å; Q747-T765 PolarHBondContact N-O 3.47Å; Q747-T765 PolarHBondContact O-N 3.04Å
748L91.3Very high87.6Confident46 Ų4647.7 Ų47.724%0.24126%0.257CS..EExtended strand (participates in β ladder)trans-119.2135.8-178.2-57.2174.7000109.9I762 S763 L764 F845 E868 V870L748-I762 HydrophobicContact CB-CG2 4.35Å; L748-I762 HydrophobicContact CD2-CG2 4.29Å; L748-S763 CarbonylContact C-O 3.46Å; L748-S763 WeakPolarHBondContact CA-O 3.2Å; L748-L764 HydrophobicContact CD2-CB 4.31Å; L748-L764 HydrophobicContact CD2-CD1 3.48Å; L748-L764 VanDerWaalsContact CD2-CD1 3.48Å; L748-F845 HydrophobicContact CD1-CD2 3.65Å; L748-F845 HydrophobicContact CD1-CE2 3.95Å; L748-F845 HydrophobicContact CD1-CG 4.29Å; L748-F845 HydrophobicContact CD2-CB 4.35Å; L748-F845 HydrophobicContact CD2-CD1 3.86Å; L748-F845 HydrophobicContact CD2-CD2 3.8Å; L748-F845 HydrophobicContact CD2-CE1 4.03Å; L748-F845 HydrophobicContact CD2-CE2 4Å; L748-F845 HydrophobicContact CD2-CG 3.74Å; L748-F845 HydrophobicContact CD2-CZ 4.11Å; L748-F845 HydrophobicContact CG-CD2 4.41Å; L748-E868 HydrophobicContact CD1-CB 4.2Å; L748-V870 HydrophobicContact CD1-CB 4.06Å; L748-V870 HydrophobicContact CD1-CG1 4.16Å
749S88.2Confident87.5Confident83 Ų8346.9 Ų46.958%0.5825%0.253SS*.EExtended strand (participates in β ladder)trans-133.2126.9178.2-176.50000111.5S763S749-S763 PolarHBondContact N-O 3.25Å; S749-S763 PolarHBondContact O-N 3.5Å
750H89.6Confident87.8Confident57 Ų5745 Ų4526%0.26424%0.239SC..  trans-162.5169.6-174.262.894.8000112.6F760 I762 V870H750-F760 HydrophobicContact CB-CE1 3.95Å; H750-F760 HydrophobicContact CB-CZ 3.94Å; H750-F760 AromaticContact ND1-CZ 3.91Å; H750-I762 HydrophobicContact CB-CB 4.35Å; H750-I762 HydrophobicContact CB-CD1 4.41Å; H750-I762 HydrophobicContact CB-CG1 3.8Å; H750-I762 HydrophobicContact CB-CG2 4.38Å; H750-V870 VanDerWaalsContact NE2-CG2 3.25Å; H750-V870 WeakPolarHBondContact NE2-CG2 3.42Å
751Q86.6Confident88Confident105 Ų10546.2 Ų46.249%0.49125%0.25SS..  trans-123.476.9-175.3-68.8-176.4-10.100113.7F760 W913 R978Q751-F760 VanDerWaalsContact O-CE2 3.25Å; Q751-F760 WeakPolarHBondContact O-CE2 3.11Å; Q751-W913 HydrophobicContact CB-CH2 4.47Å; Q751-W913 HydrophobicContact CB-CZ2 3.95Å; Q751-W913 HydrophobicContact CG-CZ2 4.46Å; Q751-W913 PolarHBondContact O-NE1 2.95Å; Q751-R978 PolarHBondContact O-NH1 3.28Å
752P86Confident88.3Confident62 Ų6242.3 Ų42.340%0.40323%0.226SC..SBendtrans-67.9162-175.531.7-34.8000112.6W913P752-W913 PolarHBondContact O-NE1 3.43Å
753P90.4Very high88.6Confident21 Ų2142 Ų4214%0.13623%0.225CC..SBendcis-74.4166.4-6.633.1-34.8000111.7E873 V875 P912 R978P753-E873 CarbonylContact C-O 3.53Å; P753-E873 WeakPolarHBondContact CA-O 3.5Å; P753-E873 HydrophobicContact CB-CB 4.48Å; P753-E873 VanDerWaalsContact CB-O 3.23Å; P753-E873 WeakPolarHBondContact CB-O 3.44Å; P753-V875 HydrophobicContact CB-CG1 4.32Å; P753-V875 HydrophobicContact CB-CG2 4.12Å; P753-V875 HydrophobicContact CG-CG2 3.8Å; P753-P912 HydrophobicContact CG-CG 3.92Å; P753-R978 PolarHBondContact O-NH2 2.98Å
754A91.2Very high88.8Confident2 Ų236.2 Ų36.22%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-77.1145.216400000109.8E758 F760 V872 E873 T874 V875A754-E758 WeakPolarHBondContact CA-OE1 3.28Å; A754-F760 HydrophobicContact CB-CB 4.11Å; A754-F760 HydrophobicContact CB-CD1 4.48Å; A754-F760 HydrophobicContact CB-CD2 3.91Å; A754-F760 HydrophobicContact CB-CE2 4.4Å; A754-F760 HydrophobicContact CB-CG 3.92Å; A754-V872 HydrophobicContact CB-CG1 3.72Å; A754-E873 PolarHBondContact N-O 3.13Å; A754-T874 CarbonylContact O-C 3.57Å; A754-T874 VanDerWaalsContact O-CA 3.23Å; A754-T874 WeakPolarHBondContact O-CA 3.45Å; A754-V875 PolarHBondContact O-N 3.06Å
755L90.8Very high89Confident1 Ų137 Ų371%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-102144.2176-56.6175.7000109.6N757 E758 V875 L915 W976L755-N757 PolarHBondContact O-N 2.84Å; L755-E758 HydrophobicContact CB-CB 4.24Å; L755-E758 HydrophobicContact CB-CG 4.18Å; L755-E758 WeakPolarHBondContact CB-OE2 3.3Å; L755-E758 PolarHBondContact N-OE1 3.24Å; L755-E758 WeakPolarHBondContact O-CB 3.45Å; L755-E758 VanDerWaalsContact O-CG 3.28Å; L755-E758 WeakPolarHBondContact O-CG 3.38Å; L755-E758 PolarHBondContact O-N 3.46Å; L755-V875 CarbonylContact C-O 3.54Å; L755-V875 WeakPolarHBondContact CA-O 3.37Å; L755-V875 HydrophobicContact CD2-CG2 3.61Å; L755-L915 HydrophobicContact CD1-CD1 4.44Å; L755-L915 HydrophobicContact CD1-CD2 3.76Å; L755-W976 HydrophobicContact CB-CH2 3.62Å; L755-W976 HydrophobicContact CB-CZ2 4.44Å; L755-W976 HydrophobicContact CB-CZ3 4.45Å; L755-W976 HydrophobicContact CD1-CH2 3.53Å; L755-W976 HydrophobicContact CD1-CZ3 3.5Å; L755-W976 VanDerWaalsContact CD1-CZ3 3.5Å; L755-W976 HydrophobicContact CG-CH2 4.21Å
756T89.1Confident89.1Confident19 Ų1935.4 Ų35.412%0.11720%0.198CC..THydrogen-bonded Turntrans-56.6130.9-176.7-52.60000110.7E758 V836 V875T756-E758 PolarHBondContact O-N 3.02Å; T756-V836 WeakPolarHBondContact CG2-O 3.35Å; T756-V875 PolarHBondContact N-O 3.1Å; T756-V875 PolarHBondContact OG1-O 2.79Å
757N85.6Confident89.1Confident67 Ų6737.3 Ų37.336%0.35821%0.206SC..THydrogen-bonded Turntrans63.56.6-175.8-62.9-33.3000116.7L755 C835 I988L755-N757 PolarHBondContact O-N 2.84Å; N757-C835 PolarHBondContact N-O 2.85Å; N757-I988 HydrophobicContact CB-CG2 4.13Å
758E87.4Confident89.1Confident8 Ų831.8 Ų31.84%0.03718%0.18CC..  trans-77.4154.3171.993.9-177.2162.200112A754 L755 T756 F760 W976 R978 I988A754-E758 WeakPolarHBondContact CA-OE1 3.28Å; L755-E758 HydrophobicContact CB-CB 4.24Å; L755-E758 HydrophobicContact CB-CG 4.18Å; L755-E758 WeakPolarHBondContact CB-OE2 3.3Å; L755-E758 PolarHBondContact N-OE1 3.24Å; L755-E758 WeakPolarHBondContact O-CB 3.45Å; L755-E758 VanDerWaalsContact O-CG 3.28Å; L755-E758 WeakPolarHBondContact O-CG 3.38Å; L755-E758 PolarHBondContact O-N 3.46Å; T756-E758 PolarHBondContact O-N 3.02Å; E758-F760 HydrophobicContact CG-CB 4.15Å; E758-F760 PolarHBondContact O-N 3.1Å; E758-F760 WeakPolarHBondContact OE1-CD2 3.48Å; E758-W976 HydrophobicContact CB-CH2 4.37Å; E758-R978 IonicContact OE1-CZ 3.16Å; E758-R978 IonicContact OE1-NE 2.67Å; E758-R978 IonicContact OE1-NH2 3.6Å; E758-R978 PolarHBondContact OE1-NH2 3.37Å; E758-R978 IonicContact OE2-CZ 3.6Å; E758-R978 IonicContact OE2-NE 2.73Å; E758-R978 PolarHBondContact OE2-NE 3.15Å; E758-R978 IonicContact OE2-NH2 3.3Å; E758-R978 PolarHBondContact OE2-NH2 2.88Å; E758-I988 HydrophobicContact CB-CD1 3.38Å; E758-I988 HydrophobicContact CB-CG1 4.48Å
759M86.6Confident88.9Confident37 Ų3734.8 Ų34.818%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-87.489.4167.9-66.4-63.4-69.200109.1T798 R834 P986M759-T798 HydrophobicContact CE-CG2 3.72Å; M759-R834 HydrophobicContact SD-CB 3.82Å; M759-R834 HydrophobicContact SD-CG 4.45Å; M759-P986 HydrophobicContact CG-CG 4.39Å
760F88.6Confident88.8Confident7 Ų731 Ų313%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-79.5126.9-177.2-174.7-100000111.3H750 Q751 A754 E758 I762 Y832 M833 V872H750-F760 HydrophobicContact CB-CE1 3.95Å; H750-F760 HydrophobicContact CB-CZ 3.94Å; H750-F760 AromaticContact ND1-CZ 3.91Å; Q751-F760 VanDerWaalsContact O-CE2 3.25Å; Q751-F760 WeakPolarHBondContact O-CE2 3.11Å; A754-F760 HydrophobicContact CB-CB 4.11Å; A754-F760 HydrophobicContact CB-CD1 4.48Å; A754-F760 HydrophobicContact CB-CD2 3.91Å; A754-F760 HydrophobicContact CB-CE2 4.4Å; A754-F760 HydrophobicContact CB-CG 3.92Å; E758-F760 HydrophobicContact CG-CB 4.15Å; E758-F760 PolarHBondContact O-N 3.1Å; E758-F760 WeakPolarHBondContact OE1-CD2 3.48Å; F760-I762 HydrophobicContact CD1-CD1 4.48Å; F760-I762 HydrophobicContact CD1-CG1 4.04Å; F760-I762 HydrophobicContact CE1-CD1 4.1Å; F760-I762 HydrophobicContact CE1-CG1 3.77Å; F760-Y832 CarbonylContact O-C 3.59Å; F760-Y832 VanDerWaalsContact O-CA 3.31Å; F760-Y832 WeakPolarHBondContact O-CA 3.48Å; F760-M833 HydrophobicContact CB-CG 3.75Å; F760-M833 HydrophobicContact CD1-CE 4.16Å; F760-M833 HydrophobicContact CD1-CG 3.93Å; F760-M833 HydrophobicContact CD1-SD 3.76Å; F760-M833 HydrophobicContact CG-CG 4.31Å; F760-M833 PolarHBondContact N-O 3.25Å; F760-M833 PolarHBondContact O-N 3.3Å; F760-V872 HydrophobicContact CD1-CG1 4.27Å; F760-V872 HydrophobicContact CE1-CG1 3.93Å; F760-V872 HydrophobicContact CE1-CG2 4.25Å; F760-V872 HydrophobicContact CZ-CG1 4.26Å
761C87.9Confident88.4Confident46 Ų4634.6 Ų34.631%0.31119%0.187SC..EExtended strand (participates in β ladder)trans-100.7132.5-175.7-1760000112.1Y832C761-Y832 HydrophobicContact CB-CD1 3.73Å; C761-Y832 HydrophobicContact CB-CE1 3.61Å; C761-Y832 VanDerWaalsContact SG-CE1 3.57Å
762I91.1Very high88.4Confident0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-119.2122.5167.3-56.8-168.4000109L748 H750 F760 V831 M833 F845 V870 V872L748-I762 HydrophobicContact CB-CG2 4.35Å; L748-I762 HydrophobicContact CD2-CG2 4.29Å; H750-I762 HydrophobicContact CB-CB 4.35Å; H750-I762 HydrophobicContact CB-CD1 4.41Å; H750-I762 HydrophobicContact CB-CG1 3.8Å; H750-I762 HydrophobicContact CB-CG2 4.38Å; F760-I762 HydrophobicContact CD1-CD1 4.48Å; F760-I762 HydrophobicContact CD1-CG1 4.04Å; F760-I762 HydrophobicContact CE1-CD1 4.1Å; F760-I762 HydrophobicContact CE1-CG1 3.77Å; I762-V831 PolarHBondContact N-O 2.89Å; I762-V831 PolarHBondContact O-N 2.99Å; I762-M833 HydrophobicContact CD1-CE 3.17Å; I762-M833 HydrophobicContact CG1-CE 3.67Å; I762-F845 HydrophobicContact CB-CZ 4.26Å; I762-F845 HydrophobicContact CD1-CE2 4.47Å; I762-F845 HydrophobicContact CD1-CZ 4.25Å; I762-F845 HydrophobicContact CG2-CE1 4.49Å; I762-F845 HydrophobicContact CG2-CE2 4.47Å; I762-F845 HydrophobicContact CG2-CZ 3.85Å; I762-V870 HydrophobicContact CD1-CG1 3.89Å; I762-V872 HydrophobicContact CD1-CG2 4.17Å
763S89.6Confident88.4Confident32 Ų3232.5 Ų32.522%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-87.9127.7172.2-1720000110.2L748 S749L748-S763 CarbonylContact C-O 3.46Å; L748-S763 WeakPolarHBondContact CA-O 3.2Å; S749-S763 PolarHBondContact N-O 3.25Å; S749-S763 PolarHBondContact O-N 3.5Å
764L91.4Very high88.3Confident1 Ų131.5 Ų31.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-108.7125.6178.6171.477.2000109.3V746 Q747 L748 V766 L779 E828 K829 F845V746-L764 HydrophobicContact CG1-CD1 3.41Å; V746-L764 VanDerWaalsContact CG1-CD1 3.41Å; Q747-L764 WeakPolarHBondContact O-CA 3.36Å; L748-L764 HydrophobicContact CD2-CB 4.31Å; L748-L764 HydrophobicContact CD2-CD1 3.48Å; L748-L764 VanDerWaalsContact CD2-CD1 3.48Å; L764-V766 HydrophobicContact CD1-CG2 4.23Å; L764-V766 HydrophobicContact CD2-CG2 4Å; L764-V766 HydrophobicContact CG-CG2 3.95Å; L764-L779 HydrophobicContact CD2-CD1 3.66Å; L764-L779 HydrophobicContact CD2-CD2 3.41Å; L764-L779 VanDerWaalsContact CD2-CD2 3.41Å; L764-L779 HydrophobicContact CD2-CG 4.16Å; L764-E828 CarbonylContact O-C 3.55Å; L764-E828 VanDerWaalsContact O-CA 3.31Å; L764-E828 WeakPolarHBondContact O-CA 3.41Å; L764-K829 WeakPolarHBondContact CB-O 3.47Å; L764-K829 PolarHBondContact N-O 3.26Å; L764-K829 PolarHBondContact O-N 2.9Å; L764-F845 HydrophobicContact CD1-CB 4.42Å; L764-F845 HydrophobicContact CD1-CD1 3.99Å; L764-F845 HydrophobicContact CD1-CG 4.46Å; L764-F845 HydrophobicContact CD2-CD1 4.35Å
765T90.7Very high88Confident24 Ų2435.5 Ų35.515%0.14719%0.191CC..EExtended strand (participates in β ladder)trans-115.1120.2171.2-51.20000109.8V746 Q747 L827 E828V746-T765 WeakPolarHBondContact CA-O 3.33Å; Q747-T765 PolarHBondContact N-O 3.47Å; Q747-T765 PolarHBondContact O-N 3.04Å; T765-L827 CarbonylContact C-O 3.54Å; T765-L827 WeakPolarHBondContact CA-O 3.27Å; T765-E828 HydrophobicContact CG2-CG 4.04Å
766V90.7Very high87.9Confident1 Ų139.4 Ų39.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-110.4124.1177.2-174.90000109.1I744 C745 V746 L764 L818 L821 K826 L827 V847I744-V766 HydrophobicContact CG2-CG1 3.55Å; C745-V766 CarbonylContact O-C 3.54Å; C745-V766 WeakPolarHBondContact O-CA 3.19Å; V746-V766 HydrophobicContact CG2-CG2 4.49Å; L764-V766 HydrophobicContact CD1-CG2 4.23Å; L764-V766 HydrophobicContact CD2-CG2 4Å; L764-V766 HydrophobicContact CG-CG2 3.95Å; V766-L818 HydrophobicContact CG2-CD1 4.27Å; V766-L821 HydrophobicContact CG1-CD1 3.93Å; V766-K826 CarbonylContact O-C 3.56Å; V766-K826 WeakPolarHBondContact O-CA 3.28Å; V766-L827 PolarHBondContact N-O 3.46Å; V766-L827 PolarHBondContact O-N 3.35Å; V766-V847 HydrophobicContact CG1-CG1 4.13Å; V766-V847 HydrophobicContact CG2-CG2 4.09Å
767Q90.2Very high87.9Confident48 Ų4838.5 Ų38.522%0.22421%0.206CC..EExtended strand (participates in β ladder)trans-123.2126.4179-175.217813.300111.6I744 C745 E825 K826I744-Q767 WeakPolarHBondContact CA-O 3.15Å; C745-Q767 HydrophobicContact CB-CB 4.37Å; C745-Q767 PolarHBondContact N-O 3.33Å; C745-Q767 PolarHBondContact O-N 2.99Å; Q767-E825 WeakPolarHBondContact CA-O 3.43Å; Q767-K826 HydrophobicContact CB-CG 3.97Å; Q767-K826 HydrophobicContact CG-CG 3.68Å; Q767-K826 VanDerWaalsContact NE2-CE 3.35Å; Q767-K826 VanDerWaalsContact OE1-CE 3.31Å
768S88.4Confident88.2Confident0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-79124.3172.6-1770000111.3E770 K822 G824 E825S768-E770 PolarHBondContact OG-N 3.49Å; S768-K822 WeakPolarHBondContact CB-O 2.97Å; S768-G824 WeakPolarHBondContact O-CA 3.29Å; S768-G824 PolarHBondContact O-N 2.64Å; S768-E825 PolarHBondContact N-O 3.38Å; S768-E825 VanDerWaalsContact N-O 3.07Å
769Q86.5Confident88.3Confident110 Ų11037.8 Ų37.851%0.51420%0.2SC..  trans-110.817.1170.4-57.5178.2-6.200110.9R743R743-Q769 HydrophobicContact CB-CB 4.23Å; R743-Q769 CarbonylContact O-C 3.56Å; R743-Q769 VanDerWaalsContact O-CA 3.27Å; R743-Q769 WeakPolarHBondContact O-CA 3.31Å; R743-Q769 WeakPolarHBondContact O-CB 3.46Å; R743-Q769 PolarHBondContact O-N 3Å
770E86.1Confident88.6Confident3 Ų336.9 Ų36.91%0.01420%0.196CC..  trans-77.1151.7175.8-68.7-68.5174.700111R740 R743 S768 V772 P823 Y849 I851R740-E770 IonicContact CZ-OE1 3.6Å; R740-E770 IonicContact CZ-OE2 2.77Å; R740-E770 IonicContact NH1-OE1 2.76Å; R740-E770 PolarHBondContact NH1-OE1 3.47Å; R740-E770 IonicContact NH1-OE2 2.9Å; R740-E770 PolarHBondContact NH1-OE2 2.86Å; R740-E770 IonicContact NH2-OE1 2.96Å; R740-E770 IonicContact NH2-OE2 2.88Å; R740-E770 PolarHBondContact NH2-OE2 2.82Å; R743-E770 HydrophobicContact CB-CG 4.12Å; R743-E770 WeakPolarHBondContact CB-OE1 3.3Å; R743-E770 PolarHBondContact N-OE1 2.84Å; R743-E770 PolarHBondContact O-N 2.97Å; S768-E770 PolarHBondContact OG-N 3.49Å; E770-V772 VanDerWaalsContact C-N 3.29Å; E770-V772 WeakPolarHBondContact CB-O 3.38Å; E770-P823 WeakPolarHBondContact O-CA 3.42Å; E770-P823 WeakPolarHBondContact O-CB 3.38Å; E770-P823 WeakPolarHBondContact O-CG 3.36Å; E770-Y849 HydrophobicContact CG-CE2 4.1Å; E770-Y849 PolarHBondContact OE1-OH 2.68Å; E770-I851 HydrophobicContact CB-CD1 3.9Å; E770-I851 HydrophobicContact CG-CD1 3.82Å; E770-I851 VanDerWaalsContact OE2-CD1 3.29Å; E770-I851 WeakPolarHBondContact OE2-CD1 3.41Å
771N82.4Confident88.7Confident132 Ų13236.6 Ų36.671%0.70620%0.195SC*.SBendtrans-82.5-10.3176.7-65.6-14.5000112.7
772V84.7Confident88.9Confident70 Ų7034.4 Ų34.442%0.42418%0.18SC..SBendtrans-129.7160.2-178.5-170.80000108E770 A774 I851E770-V772 VanDerWaalsContact C-N 3.29Å; E770-V772 WeakPolarHBondContact CB-O 3.38Å; V772-A774 PolarHBondContact O-N 3.38Å; V772-I851 HydrophobicContact CB-CD1 4.18Å; V772-I851 HydrophobicContact CB-CG1 4.23Å
773V87.5Confident88.8Confident53 Ų5335.2 Ų35.232%0.32118%0.184SC..  trans-59.8125178.2-177.90000110.4K775 D820V773-K775 HydrophobicContact CG1-CG 4.39Å; V773-K775 PolarHBondContact O-N 3.15Å; V773-D820 HydrophobicContact CG1-CB 4.12Å
774A87.4Confident88.8Confident0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-79.7113169.300000108.3I744 V772 V777 D820 L821 Y849I744-A774 HydrophobicContact CD1-CB 4.2Å; V772-A774 PolarHBondContact O-N 3.38Å; A774-V777 HydrophobicContact CB-CG2 4.12Å; A774-D820 WeakPolarHBondContact O-CA 3.43Å; A774-L821 HydrophobicContact CB-CB 4.42Å; A774-L821 PolarHBondContact N-O 2.96Å; A774-L821 PolarHBondContact O-N 3.23Å; A774-Y849 HydrophobicContact CB-CD2 3.58Å; A774-Y849 HydrophobicContact CB-CE2 4.16Å; A774-Y849 HydrophobicContact CB-CG 4.17Å
775K86.3Confident88.4Confident87 Ų8742.1 Ų42.138%0.37822%0.22SC..EExtended strand (participates in β ladder)trans-94.9146.7-176-65.7176-178.7169.50111.2V773 D820 S850 D852V773-K775 HydrophobicContact CG1-CG 4.39Å; V773-K775 PolarHBondContact O-N 3.15Å; K775-D820 WeakPolarHBondContact CA-OD1 3.49Å; K775-S850 PolarHBondContact N-O 3.34Å; K775-S850 PolarHBondContact O-N 2.86Å; K775-S850 PolarHBondContact O-OG 2.89Å; K775-D852 IonicContact NZ-OD2 3.56Å; K775-D852 PolarHBondContact NZ-OD2 3.27Å
776D86.9Confident87.8Confident82 Ų8245 Ų4544%0.43926%0.255SS..EExtended strand (participates in β ladder)trans58.449.8174.8-167.435000112.5K778 D820D776-K778 VanDerWaalsContact CG-NZ 3.33Å; D776-K778 PolarHBondContact O-N 2.85Å; D776-K778 WeakPolarHBondContact OD1-CE 3.34Å; D776-K778 IonicContact OD1-NZ 2.72Å; D776-K778 PolarHBondContact OD1-NZ 3.02Å; D776-K778 WeakPolarHBondContact OD2-CE 3.33Å; D776-K778 IonicContact OD2-NZ 2.72Å; D776-K778 PolarHBondContact OD2-NZ 3.48Å; D776-D820 PolarHBondContact N-OD1 3.41Å
777V89.5Confident87.5Confident1 Ų147.5 Ų47.51%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-71.9121179.2-170.20000109.4A774 L818 G819 L821 V847 A848A774-V777 HydrophobicContact CB-CG2 4.12Å; V777-L818 HydrophobicContact CB-CB 4.29Å; V777-L818 HydrophobicContact CG1-CB 4.18Å; V777-L818 HydrophobicContact CG1-CD1 4.23Å; V777-L818 WeakPolarHBondContact O-CB 3.38Å; V777-L818 PolarHBondContact O-N 3.23Å; V777-G819 WeakPolarHBondContact CB-O 3.27Å; V777-G819 VanDerWaalsContact CG2-O 3.3Å; V777-G819 WeakPolarHBondContact CG2-O 3.26Å; V777-G819 PolarHBondContact N-O 3.37Å; V777-G819 VanDerWaalsContact N-O 3.12Å; V777-L821 HydrophobicContact CB-CD1 4.5Å; V777-L821 HydrophobicContact CG1-CD1 4.14Å; V777-L821 HydrophobicContact CG2-CB 4.31Å; V777-L821 HydrophobicContact CG2-CD1 4.02Å; V777-L821 HydrophobicContact CG2-CG 4Å; V777-V847 HydrophobicContact CG1-CG1 3.61Å; V777-A848 CarbonylContact C-O 3.54Å; V777-A848 VanDerWaalsContact CA-O 3.31Å; V777-A848 WeakPolarHBondContact CA-O 3.43Å
778K91.5Very high86.9Confident60 Ų6052.8 Ų52.826%0.26129%0.291SS..EExtended strand (participates in β ladder)trans-124140.1-178.3-70.5174.1176.7146.30111.1D776 D815 V816 V847 A848D776-K778 VanDerWaalsContact CG-NZ 3.33Å; D776-K778 PolarHBondContact O-N 2.85Å; D776-K778 WeakPolarHBondContact OD1-CE 3.34Å; D776-K778 IonicContact OD1-NZ 2.72Å; D776-K778 PolarHBondContact OD1-NZ 3.02Å; D776-K778 WeakPolarHBondContact OD2-CE 3.33Å; D776-K778 IonicContact OD2-NZ 2.72Å; D776-K778 PolarHBondContact OD2-NZ 3.48Å; K778-D815 HydrophobicContact CD-CB 4.29Å; K778-V816 CarbonylContact C-O 3.59Å; K778-V816 WeakPolarHBondContact CA-O 3.32Å; K778-V847 CarbonylContact O-C 3.56Å; K778-V847 VanDerWaalsContact O-CA 3.31Å; K778-V847 WeakPolarHBondContact O-CA 3.46Å; K778-A848 PolarHBondContact N-O 3.26Å; K778-A848 PolarHBondContact O-N 3.44Å
779L90.9Very high85.8Confident0 Ų058.3 Ų58.30%034%0.337CS..EExtended strand (participates in β ladder)trans-109.6128.6175.7174.667.9000110.8L764 A781 D815 V816 L818 F845 H846 V847L764-L779 HydrophobicContact CD2-CD1 3.66Å; L764-L779 HydrophobicContact CD2-CD2 3.41Å; L764-L779 VanDerWaalsContact CD2-CD2 3.41Å; L764-L779 HydrophobicContact CD2-CG 4.16Å; L779-A781 HydrophobicContact CD1-CB 4.14Å; L779-A781 HydrophobicContact CD2-CB 4.07Å; L779-A781 HydrophobicContact CG-CB 3.95Å; L779-D815 PolarHBondContact O-N 2.96Å; L779-V816 HydrophobicContact CB-CB 4.29Å; L779-V816 PolarHBondContact N-O 2.9Å; L779-V816 WeakPolarHBondContact O-CB 3.21Å; L779-V816 PolarHBondContact O-N 2.87Å; L779-L818 HydrophobicContact CB-CD1 3.7Å; L779-L818 HydrophobicContact CB-CD2 4.18Å; L779-L818 HydrophobicContact CB-CG 3.87Å; L779-L818 HydrophobicContact CD2-CD2 4.41Å; L779-F845 HydrophobicContact CD1-CD1 4.48Å; L779-H846 CarbonylContact C-O 3.56Å; L779-H846 WeakPolarHBondContact CA-O 3.49Å; L779-V847 HydrophobicContact CD1-CG2 4.04Å
780T91.6Very high85.2Confident18 Ų1854.9 Ų54.911%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-111.1115.6163.5-67.10000108.2L812 L813 T814 D815 F845 H846T780-L812 HydrophobicContact CG2-CD1 3.92Å; T780-L812 HydrophobicContact CG2-CD2 4.25Å; T780-L812 HydrophobicContact CG2-CG 4.16Å; T780-L813 CarbonylContact C-O 3.58Å; T780-L813 WeakPolarHBondContact CA-O 3.28Å; T780-L813 WeakPolarHBondContact CG2-O 3.33Å; T780-T814 HydrophobicContact CG2-CG2 4.15Å; T780-D815 PolarHBondContact OG1-N 3.21Å; T780-D815 VanDerWaalsContact OG1-N 3.16Å; T780-F845 CarbonylContact O-C 3.54Å; T780-F845 WeakPolarHBondContact O-CA 3.49Å; T780-H846 PolarHBondContact N-O 2.84Å; T780-H846 PolarHBondContact O-N 2.86Å
781A91.8Very high85Confident0 Ų055.7 Ų55.70%034%0.335CS..EExtended strand (participates in β ladder)trans-134.1128.5-171.700000112.4L779 L813 V831 L844 F845L779-A781 HydrophobicContact CD1-CB 4.14Å; L779-A781 HydrophobicContact CD2-CB 4.07Å; L779-A781 HydrophobicContact CG-CB 3.95Å; A781-L813 PolarHBondContact N-O 3.25Å; A781-L813 WeakPolarHBondContact O-CB 3.44Å; A781-L813 PolarHBondContact O-N 3.31Å; A781-V831 HydrophobicContact CB-CG2 4.26Å; A781-L844 VanDerWaalsContact CA-O 3.25Å; A781-L844 WeakPolarHBondContact CA-O 3.46Å; A781-F845 HydrophobicContact CB-CD1 3.84Å; A781-F845 HydrophobicContact CB-CE1 4.04Å
782G90.8Very high84.8Confident1 Ų151.2 Ų51.21%0.0132%0.319CS..EExtended strand (participates in β ladder)trans150.2-159.7177.400000113.5K784 A811 F843 L844G782-K784 PolarHBondContact O-N 3.28Å; G782-A811 CarbonylContact C-O 3.56Å; G782-A811 WeakPolarHBondContact CA-O 3.2Å; G782-F843 CarbonylContact O-C 3.58Å; G782-F843 VanDerWaalsContact O-CA 3.25Å; G782-F843 WeakPolarHBondContact O-CA 3.2Å; G782-L844 PolarHBondContact N-O 3.49Å; G782-L844 PolarHBondContact O-N 2.9Å
783L90.8Very high84.6Confident16 Ų1655.8 Ų55.88%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-61.1123.8-177.7-170.972.1000110.4P785 L791 A811 R841L783-P785 WeakPolarHBondContact O-CD 3.34Å; L783-L791 HydrophobicContact CD2-CB 3.89Å; L783-A811 HydrophobicContact CB-CB 4.2Å; L783-A811 WeakPolarHBondContact CB-O 3.28Å; L783-A811 HydrophobicContact CD2-CB 4.45Å; L783-A811 PolarHBondContact N-O 3.04Å; L783-R841 HydrophobicContact CD1-CB 4.02Å; L783-R841 HydrophobicContact CD1-CG 4.25Å
784K88.9Confident84.5Confident89 Ų8954.7 Ų54.739%0.38733%0.329SS..PPolyproline II helixtrans-59.7126.5179.2-174.1177.8-179.9176.60110.1G782 Q787 I842 L844 T869G782-K784 PolarHBondContact O-N 3.28Å; K784-Q787 PolarHBondContact O-NE2 3.17Å; K784-I842 HydrophobicContact CB-CB 4.37Å; K784-I842 HydrophobicContact CB-CG2 4.17Å; K784-I842 WeakPolarHBondContact CB-O 3.39Å; K784-I842 HydrophobicContact CD-CG2 3.97Å; K784-I842 PolarHBondContact N-O 3.49Å; K784-L844 HydrophobicContact CB-CB 4.06Å; K784-L844 HydrophobicContact CG-CB 4.29Å; K784-T869 HydrophobicContact CD-CG2 4.42Å
785P81.9Confident84.5Confident89 Ų8954.7 Ų54.758%0.57833%0.329SS*.THydrogen-bonded Turntrans-57.5144.6176.4-25.133.7000112.5L783 L812L783-P785 WeakPolarHBondContact O-CD 3.34Å; P785-L812 HydrophobicContact CG-CD2 3.93Å
786G78.6Confident84.6Confident86 Ų8651 Ų5189%0.88731%0.314SS*.THydrogen-bonded Turntrans89.912.3177.100000116.1
787Q83.9Confident84.6Confident52 Ų5247.2 Ų47.224%0.24329%0.293CS..  trans-81.4177.3168.7-71.1178.492.500112.2K784 L791 I842K784-Q787 PolarHBondContact O-NE2 3.17Å; Q787-L791 HydrophobicContact CB-CD1 4.17Å; Q787-I842 PolarHBondContact NE2-O 3.34Å
788E77.9Confident84.5Confident160 Ų16048.8 Ų48.875%0.74830%0.303SS*.  trans-51.3139.7-174.6-68.7-174.4168.200114.2G790 L791E788-G790 PolarHBondContact O-N 2.94Å; E788-G790 VanDerWaalsContact O-N 3.08Å; E788-L791 HydrophobicContact CB-CD1 4.16Å; E788-L791 HydrophobicContact CB-CG 4.44Å; E788-L791 PolarHBondContact O-N 3.5Å
789A66.2Low84.1Confident116 Ų11648.8 Ų48.896%0.95931%0.306SS*.THydrogen-bonded Turntrans-64.8107.6178.400000110.2
790G74.3Confident83.4Confident37 Ų3752.6 Ų52.638%0.38133%0.326SS..THydrogen-bonded Turntrans132.9-27.9-179.300000113.6E788 G792 H793E788-G790 PolarHBondContact O-N 2.94Å; E788-G790 VanDerWaalsContact O-N 3.08Å; G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.89Å; G790-H793 PolarHBondContact O-N 3.18Å; G790-H793 VanDerWaalsContact O-N 3.16Å
791L81.5Confident82.1Confident21 Ų2152.9 Ų52.911%0.1133%0.332CS..G310 helixtrans-62.1-36.5180-71.7174000112.3L783 Q787 E788 H793 T794 T795 R841L783-L791 HydrophobicContact CD2-CB 3.89Å; Q787-L791 HydrophobicContact CB-CD1 4.17Å; E788-L791 HydrophobicContact CB-CD1 4.16Å; E788-L791 HydrophobicContact CB-CG 4.44Å; E788-L791 PolarHBondContact O-N 3.5Å; L791-H793 PolarHBondContact O-N 3.04Å; L791-T794 PolarHBondContact O-N 3.16Å; L791-T794 PolarHBondContact O-OG1 3.45Å; L791-T795 WeakPolarHBondContact O-CB 3.25Å; L791-T795 PolarHBondContact O-N 3.31Å; L791-T795 PolarHBondContact O-OG1 3.27Å; L791-R841 HydrophobicContact CD2-CG 4.16Å
792G76.9Confident80.7Confident37 Ų3757.4 Ų57.438%0.38136%0.364SS..G310 helixtrans-61.9-22.5177.800000115.2G790G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.89Å
793H81.1Confident79.2Confident167 Ų16760 Ų6077%0.77338%0.382SS*.G310 helixtrans-90.5-9.7175.2-63.7-61000113.3G790 L791G790-H793 PolarHBondContact O-N 3.18Å; G790-H793 VanDerWaalsContact O-N 3.16Å; L791-H793 PolarHBondContact O-N 3.04Å
794T84.9Confident77.7Confident30 Ų3064 Ų6418%0.18441%0.407CS..SBendtrans-114.45.5-176.565.50000112.3L791 C835 V836 S837 R841L791-T794 PolarHBondContact O-N 3.16Å; L791-T794 PolarHBondContact O-OG1 3.45Å; T794-C835 WeakPolarHBondContact O-CA 3.45Å; T794-V836 PolarHBondContact O-N 3.23Å; T794-S837 WeakPolarHBondContact CB-OG 3.49Å; T794-S837 PolarHBondContact OG1-OG 3.3Å; T794-R841 PolarHBondContact OG1-NH2 2.99Å
795T87.9Confident76.2Confident0 Ų060.4 Ų60.40%039%0.393CS..EExtended strand (participates in β ladder)trans-131.7120.8-175.8-59.20000109.3L791 V797 A811 R834 R841 F843L791-T795 WeakPolarHBondContact O-CB 3.25Å; L791-T795 PolarHBondContact O-N 3.31Å; L791-T795 PolarHBondContact O-OG1 3.27Å; T795-V797 HydrophobicContact CG2-CG2 4.35Å; T795-A811 WeakPolarHBondContact O-CA 3.43Å; T795-A811 WeakPolarHBondContact O-CB 3.21Å; T795-R834 WeakPolarHBondContact CA-O 3.47Å; T795-R841 VanDerWaalsContact OG1-CD 3.29Å; T795-R841 WeakPolarHBondContact OG1-CD 3.28Å; T795-R841 PolarHBondContact OG1-NE 3.25Å; T795-F843 HydrophobicContact CG2-CE1 3.81Å; T795-F843 HydrophobicContact CG2-CZ 3.71Å
796H88.1Confident75.1Confident10 Ų1062.4 Ų62.45%0.04640%0.399CS..EExtended strand (participates in β ladder)trans-120.7131-179.6-56.7-70.8000108.8D807 A809 M833 R834H796-D807 PolarHBondContact CE1-O 3.05Å; H796-A809 HydrophobicContact CB-CB 3.9Å; H796-A809 PolarHBondContact ND1-O 3Å; H796-M833 CarbonylContact O-C 3.6Å; H796-M833 VanDerWaalsContact O-CA 3.27Å; H796-M833 WeakPolarHBondContact O-CA 3.38Å; H796-R834 HydrophobicContact CB-CB 4.37Å; H796-R834 VanDerWaalsContact CD2-CZ 3.4Å; H796-R834 PolarHBondContact CD2-NH2 3.25Å; H796-R834 VanDerWaalsContact CD2-NH2 3.31Å; H796-R834 PolarHBondContact N-O 3.45Å; H796-R834 PolarHBondContact O-N 3.32Å
797V88.4Confident74.3Confident2 Ų264.3 Ų64.31%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-121.4134.3-177.2-176.40000109.5T795 P810 A811 L813 V831 Y832 M833 F843T795-V797 HydrophobicContact CG2-CG2 4.35Å; V797-P810 PolarHBondContact N-O 3.2Å; V797-A811 VanDerWaalsContact CG2-O 3.31Å; V797-A811 WeakPolarHBondContact CG2-O 3.3Å; V797-L813 HydrophobicContact CG1-CD1 3.96Å; V797-L813 HydrophobicContact CG1-CG 4.14Å; V797-V831 HydrophobicContact CG1-CG1 3.51Å; V797-Y832 WeakPolarHBondContact CA-O 3.4Å; V797-M833 HydrophobicContact CG2-CB 4.48Å; V797-F843 HydrophobicContact CG2-CE1 4.02Å
798T86.2Confident73.3Confident33 Ų3369.6 Ų69.620%0.20242%0.418CS..EExtended strand (participates in β ladder)trans-146.1160.5-179.5-177.50000111.4M759 D800 Y832M759-T798 HydrophobicContact CE-CG2 3.72Å; T798-D800 WeakPolarHBondContact CG2-O 3.35Å; T798-D800 PolarHBondContact OG1-N 3.18Å; T798-D800 VanDerWaalsContact OG1-N 3.15Å; T798-Y832 PolarHBondContact N-O 3.46Å; T798-Y832 PolarHBondContact O-N 3.26Å
799L82.9Confident73.1Confident61 Ų6163.1 Ų63.132%0.31939%0.393SS..SBendtrans-96.8-11172-60.7175.3000112.3L813 V816 V831L799-L813 HydrophobicContact CD1-CD1 4.41Å; L799-L813 HydrophobicContact CD2-CD1 3.98Å; L799-L813 HydrophobicContact CG-CD1 3.8Å; L799-V816 HydrophobicContact CD1-CG1 3.89Å; L799-V816 HydrophobicContact CD1-CG2 4.43Å; L799-V831 HydrophobicContact CD2-CG2 3.97Å
800D77.3Confident73.9Confident79 Ų7960.9 Ų60.942%0.42237%0.368SS..  trans-100.5120.6178.1-166.7-15000110.7T798 S802T798-D800 WeakPolarHBondContact CG2-O 3.35Å; T798-D800 PolarHBondContact OG1-N 3.18Å; T798-D800 VanDerWaalsContact OG1-N 3.15Å; D800-S802 WeakPolarHBondContact OD1-CB 3.27Å; D800-S802 PolarHBondContact OD1-N 2.76Å; D800-S802 PolarHBondContact OD1-OG 3.17Å
801G64.6Low74.4Confident24 Ų2460.1 Ų60.125%0.24736%0.358CS..SBendtrans-93-2.2-179.300000114.7
802S60.7Low74.7Confident95 Ų9561.2 Ų61.266%0.66436%0.364SS*.SBendtrans-96.4-21.5-170.766.60000114.7D800D800-S802 WeakPolarHBondContact OD1-CB 3.27Å; D800-S802 PolarHBondContact OD1-N 2.76Å; D800-S802 PolarHBondContact OD1-OG 3.17Å
803S59.7Low75.3Confident57 Ų5760.9 Ų60.940%0.39935%0.353SS..SBendtrans-105.4133.7177.159.70000111.5S805S803-S805 PolarHBondContact O-N 2.78Å; S803-S805 VanDerWaalsContact O-N 3.17Å
804V58.8Low75.6Confident100 Ų10057.3 Ų57.361%0.60634%0.343SS*.PPolyproline II helixtrans-61118.7166.2-176.90000107.3D806 P986V804-D806 PolarHBondContact O-N 3.37Å; V804-P986 HydrophobicContact CG2-CB 4.02Å
805S57.6Low75.5Confident12 Ų1260.6 Ų60.68%0.08436%0.36CS..PPolyproline II helixtrans-64.9124.7-172.240.90000112.3S803 R834S803-S805 PolarHBondContact O-N 2.78Å; S803-S805 VanDerWaalsContact O-N 3.17Å; S805-R834 PolarHBondContact O-NH2 3.23Å; S805-R834 PolarHBondContact OG-NE 2.9Å
806D59.3Low75.5Confident132 Ų13261.8 Ų61.871%0.70637%0.367SS*.PPolyproline II helixtrans-56.6149.4169.7-72.5-24.5000110.9V804 N808 A809V804-D806 PolarHBondContact O-N 3.37Å; D806-N808 PolarHBondContact O-N 3.34Å; D806-A809 PolarHBondContact O-N 3.4Å
807D61.3Low75.4Confident126 Ų12666.3 Ų66.367%0.67440%0.397SS*.THydrogen-bonded Turntrans-61.7-5.5-179.7-71.7-24.8000114.3H796 R834H796-D807 PolarHBondContact CE1-O 3.05Å; D807-R834 IonicContact OD1-CZ 3.24Å; D807-R834 IonicContact OD1-NH1 3.72Å; D807-R834 IonicContact OD1-NH2 3.23Å; D807-R834 PolarHBondContact OD1-NH2 2.82Å
808N63.4Low75.2Confident162 Ų16267.4 Ų67.487%0.86640%0.403SS*.THydrogen-bonded Turntrans-91-0.4175.6-77.7-14.5000114.7D806D806-N808 PolarHBondContact O-N 3.34Å
809A74.5Confident75.2Confident25 Ų2567.7 Ų67.721%0.20741%0.412CS..  trans-68.1137.3-179.800000112.2H796 D806H796-A809 HydrophobicContact CB-CB 3.9Å; H796-A809 PolarHBondContact ND1-O 3Å; D806-A809 PolarHBondContact O-N 3.4Å
810P82.4Confident75.4Confident69 Ų6969.3 Ų69.345%0.44842%0.421SS..  trans-71.9151.6-173.630.3-36000112.5V797 L812 L813V797-P810 PolarHBondContact N-O 3.2Å; P810-L812 VanDerWaalsContact C-N 3.35Å; P810-L813 HydrophobicContact CG-CD2 3.83Å
811A84.6Confident75.8Confident20 Ų2065.8 Ų65.817%0.16540%0.402CS..SBendtrans-77.8-19.1174.300000113.3G782 L783 T795 V797G782-A811 CarbonylContact C-O 3.56Å; G782-A811 WeakPolarHBondContact CA-O 3.2Å; L783-A811 HydrophobicContact CB-CB 4.2Å; L783-A811 WeakPolarHBondContact CB-O 3.28Å; L783-A811 HydrophobicContact CD2-CB 4.45Å; L783-A811 PolarHBondContact N-O 3.04Å; T795-A811 WeakPolarHBondContact O-CA 3.43Å; T795-A811 WeakPolarHBondContact O-CB 3.21Å; V797-A811 VanDerWaalsContact CG2-O 3.31Å; V797-A811 WeakPolarHBondContact CG2-O 3.3Å
812L88.6Confident76.9Confident45 Ų4571.2 Ų71.224%0.23642%0.419CS..EExtended strand (participates in β ladder)trans-140.2124.2179.9-177.567.7000110.4T780 P785 P810 T814T780-L812 HydrophobicContact CG2-CD1 3.92Å; T780-L812 HydrophobicContact CG2-CD2 4.25Å; T780-L812 HydrophobicContact CG2-CG 4.16Å; P785-L812 HydrophobicContact CG-CD2 3.93Å; P810-L812 VanDerWaalsContact C-N 3.35Å; L812-T814 HydrophobicContact CD2-CG2 4.19Å; L812-T814 HydrophobicContact CG-CG2 4.26Å
813L88.8Confident78.1Confident30 Ų3070 Ų7016%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-88.9124.1170.8-59.1173.2000108.7T780 A781 V797 L799 P810 V816T780-L813 CarbonylContact C-O 3.58Å; T780-L813 WeakPolarHBondContact CA-O 3.28Å; T780-L813 WeakPolarHBondContact CG2-O 3.33Å; A781-L813 PolarHBondContact N-O 3.25Å; A781-L813 WeakPolarHBondContact O-CB 3.44Å; A781-L813 PolarHBondContact O-N 3.31Å; V797-L813 HydrophobicContact CG1-CD1 3.96Å; V797-L813 HydrophobicContact CG1-CG 4.14Å; L799-L813 HydrophobicContact CD1-CD1 4.41Å; L799-L813 HydrophobicContact CD2-CD1 3.98Å; L799-L813 HydrophobicContact CG-CD1 3.8Å; P810-L813 HydrophobicContact CG-CD2 3.83Å; L813-V816 HydrophobicContact CB-CG2 3.97Å
814T86.7Confident79.3Confident92 Ų9269.4 Ų69.456%0.56441%0.412SS*.EExtended strand (participates in β ladder)trans-108.7141.6-179.954.20000111.3T780 L812 V816T780-T814 HydrophobicContact CG2-CG2 4.15Å; L812-T814 HydrophobicContact CD2-CG2 4.19Å; L812-T814 HydrophobicContact CG-CG2 4.26Å; T814-V816 VanDerWaalsContact C-N 3.33Å; T814-V816 PolarHBondContact O-N 3.47Å
815D83.6Confident80.7Confident99 Ų9968.7 Ų68.753%0.52940%0.402SS..EExtended strand (participates in β ladder)trans54.339.1170.8-64.3-41.6000115.6K778 L779 T780 P817K778-D815 HydrophobicContact CD-CB 4.29Å; L779-D815 PolarHBondContact O-N 2.96Å; T780-D815 PolarHBondContact OG1-N 3.21Å; T780-D815 VanDerWaalsContact OG1-N 3.16Å; D815-P817 WeakPolarHBondContact O-CD 3.43Å
816V87.9Confident82.1Confident25 Ų2574.4 Ų74.415%0.15243%0.425CS..EExtended strand (participates in β ladder)trans-66.7117.6174.1-178.50000109.1K778 L779 L799 L813 T814 L818K778-V816 CarbonylContact C-O 3.59Å; K778-V816 WeakPolarHBondContact CA-O 3.32Å; L779-V816 HydrophobicContact CB-CB 4.29Å; L779-V816 PolarHBondContact N-O 2.9Å; L779-V816 WeakPolarHBondContact O-CB 3.21Å; L779-V816 PolarHBondContact O-N 2.87Å; L799-V816 HydrophobicContact CD1-CG1 3.89Å; L799-V816 HydrophobicContact CD1-CG2 4.43Å; L813-V816 HydrophobicContact CB-CG2 3.97Å; T814-V816 VanDerWaalsContact C-N 3.33Å; T814-V816 PolarHBondContact O-N 3.47Å; V816-L818 PolarHBondContact O-N 3.05Å
817P86.4Confident83.5Confident105 Ų10570.6 Ų70.668%0.68240%0.404SS*.EExtended strand (participates in β ladder)trans-71.3124.9-177.528.2-33.2000110.6D815D815-P817 WeakPolarHBondContact O-CD 3.43Å
818L84.8Confident84.8Confident25 Ų2571.2 Ų71.213%0.13140%0.403CS..EExtended strand (participates in β ladder)trans-100.8-11.4175.6-66.7-174.4000112.9V766 V777 L779 V816 L827V766-L818 HydrophobicContact CG2-CD1 4.27Å; V777-L818 HydrophobicContact CB-CB 4.29Å; V777-L818 HydrophobicContact CG1-CB 4.18Å; V777-L818 HydrophobicContact CG1-CD1 4.23Å; V777-L818 WeakPolarHBondContact O-CB 3.38Å; V777-L818 PolarHBondContact O-N 3.23Å; L779-L818 HydrophobicContact CB-CD1 3.7Å; L779-L818 HydrophobicContact CB-CD2 4.18Å; L779-L818 HydrophobicContact CB-CG 3.87Å; L779-L818 HydrophobicContact CD2-CD2 4.41Å; V816-L818 PolarHBondContact O-N 3.05Å; L818-L827 HydrophobicContact CB-CD2 3.58Å; L818-L827 HydrophobicContact CD1-CD2 3.98Å; L818-L827 HydrophobicContact CD2-CD2 3.84Å; L818-L827 HydrophobicContact CG-CD2 3.99Å
819G84.8Confident86Confident38 Ų3867.8 Ų67.839%0.39238%0.381SS..EExtended strand (participates in β ladder)trans94.4-168.4-178.300000113.2V777V777-G819 WeakPolarHBondContact CB-O 3.27Å; V777-G819 VanDerWaalsContact CG2-O 3.3Å; V777-G819 WeakPolarHBondContact CG2-O 3.26Å; V777-G819 PolarHBondContact N-O 3.37Å; V777-G819 VanDerWaalsContact N-O 3.12Å
820D87.8Confident86.7Confident96 Ų9668.9 Ų68.951%0.51339%0.386SS..EExtended strand (participates in β ladder)trans-91.8138.2173.5-69.6-13000109.8V773 A774 K775 D776V773-D820 HydrophobicContact CG1-CB 4.12Å; A774-D820 WeakPolarHBondContact O-CA 3.43Å; K775-D820 WeakPolarHBondContact CA-OD1 3.49Å; D776-D820 PolarHBondContact N-OD1 3.41Å
821L86.6Confident87Confident4 Ų465.7 Ų65.72%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-110.1121.6179.3-68.4173.6000111.2V766 A774 V777 E825 L827V766-L821 HydrophobicContact CG1-CD1 3.93Å; A774-L821 HydrophobicContact CB-CB 4.42Å; A774-L821 PolarHBondContact N-O 2.96Å; A774-L821 PolarHBondContact O-N 3.23Å; V777-L821 HydrophobicContact CB-CD1 4.5Å; V777-L821 HydrophobicContact CG1-CD1 4.14Å; V777-L821 HydrophobicContact CG2-CB 4.31Å; V777-L821 HydrophobicContact CG2-CD1 4.02Å; V777-L821 HydrophobicContact CG2-CG 4Å; L821-E825 HydrophobicContact CD2-CG 4.29Å; L821-L827 HydrophobicContact CD2-CB 4.09Å
822K87.1Confident87.2Confident139 Ų13967.6 Ų67.660%0.60437%0.369SS*.  trans-73.3157172.7-63.5177.3-174.71720110.8S768 G824 E825S768-K822 WeakPolarHBondContact CB-O 2.97Å; K822-G824 PolarHBondContact O-N 3.07Å; K822-E825 HydrophobicContact CB-CB 4.3Å; K822-E825 WeakPolarHBondContact CB-OE2 3.4Å; K822-E825 PolarHBondContact N-OE2 2.94Å; K822-E825 WeakPolarHBondContact O-CB 3.34Å; K822-E825 PolarHBondContact O-N 3.2Å
823P86.3Confident87.2Confident68 Ų6865.5 Ų65.544%0.44236%0.358SS..THydrogen-bonded Turntrans-48.8123.9172.5-31.638.4000112.7E770 E825E770-P823 WeakPolarHBondContact O-CA 3.42Å; E770-P823 WeakPolarHBondContact O-CB 3.38Å; E770-P823 WeakPolarHBondContact O-CG 3.36Å; P823-E825 VanDerWaalsContact C-N 3.29Å; P823-E825 PolarHBondContact O-N 3.31Å
824G83.6Confident87.3Confident45 Ų4565.1 Ų65.146%0.46435%0.354SS..THydrogen-bonded Turntrans82.8-10.3179.100000116S768 K822S768-G824 WeakPolarHBondContact O-CA 3.29Å; S768-G824 PolarHBondContact O-N 2.64Å; K822-G824 PolarHBondContact O-N 3.07Å
825E88.6Confident87.4Confident86 Ų8660.9 Ų60.940%0.40233%0.328SS..  trans-66.8141.7-178.3-169.7169.5-168.600111.8Q767 S768 L821 K822 P823Q767-E825 WeakPolarHBondContact CA-O 3.43Å; S768-E825 PolarHBondContact N-O 3.38Å; S768-E825 VanDerWaalsContact N-O 3.07Å; L821-E825 HydrophobicContact CD2-CG 4.29Å; K822-E825 HydrophobicContact CB-CB 4.3Å; K822-E825 WeakPolarHBondContact CB-OE2 3.4Å; K822-E825 PolarHBondContact N-OE2 2.94Å; K822-E825 WeakPolarHBondContact O-CB 3.34Å; K822-E825 PolarHBondContact O-N 3.2Å; P823-E825 VanDerWaalsContact C-N 3.29Å; P823-E825 PolarHBondContact O-N 3.31Å
826K86.6Confident87.5Confident132 Ų13259.1 Ų59.157%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-116.6136.2179.5-68.3-175.5176.4-174.40110.1V766 Q767V766-K826 CarbonylContact O-C 3.56Å; V766-K826 WeakPolarHBondContact O-CA 3.28Å; Q767-K826 HydrophobicContact CB-CG 3.97Å; Q767-K826 HydrophobicContact CG-CG 3.68Å; Q767-K826 VanDerWaalsContact NE2-CE 3.35Å; Q767-K826 VanDerWaalsContact OE1-CE 3.31Å
827L88.9Confident87.6Confident51 Ų5160 Ų6027%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-124.6132.7176.4-176.774.9000110T765 V766 L818 L821T765-L827 CarbonylContact C-O 3.54Å; T765-L827 WeakPolarHBondContact CA-O 3.27Å; V766-L827 PolarHBondContact N-O 3.46Å; V766-L827 PolarHBondContact O-N 3.35Å; L818-L827 HydrophobicContact CB-CD2 3.58Å; L818-L827 HydrophobicContact CD1-CD2 3.98Å; L818-L827 HydrophobicContact CD2-CD2 3.84Å; L818-L827 HydrophobicContact CG-CD2 3.99Å; L821-L827 HydrophobicContact CD2-CB 4.09Å
828E88.8Confident87.7Confident139 Ų13959 Ų5965%0.6532%0.32SS*.EExtended strand (participates in β ladder)trans-114.4136.7176.9-67-177.1176.600111.2L764 T765L764-E828 CarbonylContact O-C 3.55Å; L764-E828 VanDerWaalsContact O-CA 3.31Å; L764-E828 WeakPolarHBondContact O-CA 3.41Å; T765-E828 HydrophobicContact CG2-CG 4.04Å
829K88.6Confident87.9Confident91 Ų9158.7 Ų58.740%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-144.9137.6178.1-161.371.1177.3-178.80110.3L764L764-K829 WeakPolarHBondContact CB-O 3.47Å; L764-K829 PolarHBondContact N-O 3.26Å; L764-K829 PolarHBondContact O-N 2.9Å
830C88.9Confident88.2Confident48 Ų4861 Ų6132%0.32433%0.332SS..EExtended strand (participates in β ladder)trans-96.6138.9173.3-67.50000110.6Y832C830-Y832 HydrophobicContact CB-CE2 3.96Å
831V89.8Confident88.3Confident2 Ų256.5 Ų56.51%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-120.9126173-177.20000107.9I762 A781 V797 L799 F845I762-V831 PolarHBondContact N-O 2.89Å; I762-V831 PolarHBondContact O-N 2.99Å; A781-V831 HydrophobicContact CB-CG2 4.26Å; V797-V831 HydrophobicContact CG1-CG1 3.51Å; L799-V831 HydrophobicContact CD2-CG2 3.97Å; V831-F845 HydrophobicContact CB-CE1 4.23Å; V831-F845 HydrophobicContact CG2-CE1 3.93Å
832Y88.3Confident88.6Confident60 Ų6059 Ų5924%0.23532%0.32CS..EExtended strand (participates in β ladder)trans-105.1140.3179.5-59.3-91.8000110.4F760 C761 V797 T798 C830F760-Y832 CarbonylContact O-C 3.59Å; F760-Y832 VanDerWaalsContact O-CA 3.31Å; F760-Y832 WeakPolarHBondContact O-CA 3.48Å; C761-Y832 HydrophobicContact CB-CD1 3.73Å; C761-Y832 HydrophobicContact CB-CE1 3.61Å; C761-Y832 VanDerWaalsContact SG-CE1 3.57Å; V797-Y832 WeakPolarHBondContact CA-O 3.4Å; T798-Y832 PolarHBondContact N-O 3.46Å; T798-Y832 PolarHBondContact O-N 3.26Å; C830-Y832 HydrophobicContact CB-CE2 3.96Å
833M89.6Confident88.8Confident1 Ų152.5 Ų52.51%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-130.2138.7177.867.2-176.370.900111.7F760 I762 H796 V797 F843 V872F760-M833 HydrophobicContact CB-CG 3.75Å; F760-M833 HydrophobicContact CD1-CE 4.16Å; F760-M833 HydrophobicContact CD1-CG 3.93Å; F760-M833 HydrophobicContact CD1-SD 3.76Å; F760-M833 HydrophobicContact CG-CG 4.31Å; F760-M833 PolarHBondContact N-O 3.25Å; F760-M833 PolarHBondContact O-N 3.3Å; I762-M833 HydrophobicContact CD1-CE 3.17Å; I762-M833 HydrophobicContact CG1-CE 3.67Å; H796-M833 CarbonylContact O-C 3.6Å; H796-M833 VanDerWaalsContact O-CA 3.27Å; H796-M833 WeakPolarHBondContact O-CA 3.38Å; V797-M833 HydrophobicContact CG2-CB 4.48Å; M833-F843 HydrophobicContact CB-CE1 4.17Å; M833-F843 HydrophobicContact CB-CZ 4.21Å; M833-F843 HydrophobicContact CE-CD1 3.81Å; M833-F843 HydrophobicContact CE-CD2 3.89Å; M833-F843 HydrophobicContact CE-CE1 3.83Å; M833-F843 HydrophobicContact CE-CE2 3.9Å; M833-F843 HydrophobicContact CE-CG 3.86Å; M833-F843 HydrophobicContact CE-CZ 3.88Å; M833-F843 HydrophobicContact CG-CZ 4.28Å; M833-F843 HydrophobicContact SD-CD1 4.31Å; M833-F843 HydrophobicContact SD-CD2 3.91Å; M833-F843 HydrophobicContact SD-CE1 3.79Å; M833-F843 HydrophobicContact SD-CE2 3.31Å; M833-F843 WeakPolarHBondContact SD-CE2 3.37Å; M833-F843 HydrophobicContact SD-CG 4.38Å; M833-F843 HydrophobicContact SD-CZ 3.25Å; M833-F843 WeakPolarHBondContact SD-CZ 3.47Å; M833-V872 HydrophobicContact SD-CG1 4.44Å; M833-V872 HydrophobicContact SD-CG2 4.42Å
834R88.9Confident89.1Confident22 Ų2250.3 Ų50.38%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-114.4125.8171.5-179.2174.565.794.9-12.6109.4M759 T795 H796 S805 D807 V836M759-R834 HydrophobicContact SD-CB 3.82Å; M759-R834 HydrophobicContact SD-CG 4.45Å; T795-R834 WeakPolarHBondContact CA-O 3.47Å; H796-R834 HydrophobicContact CB-CB 4.37Å; H796-R834 VanDerWaalsContact CD2-CZ 3.4Å; H796-R834 PolarHBondContact CD2-NH2 3.25Å; H796-R834 VanDerWaalsContact CD2-NH2 3.31Å; H796-R834 PolarHBondContact N-O 3.45Å; H796-R834 PolarHBondContact O-N 3.32Å; S805-R834 PolarHBondContact O-NH2 3.23Å; S805-R834 PolarHBondContact OG-NE 2.9Å; D807-R834 IonicContact OD1-CZ 3.24Å; D807-R834 IonicContact OD1-NH1 3.72Å; D807-R834 IonicContact OD1-NH2 3.23Å; D807-R834 PolarHBondContact OD1-NH2 2.82Å; R834-V836 VanDerWaalsContact NH1-CG2 3.33Å
835C89Confident89.5Confident3 Ų348.2 Ų48.22%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-117.1121.4179.5-65.70000110.6N757 T794 T874N757-C835 PolarHBondContact N-O 2.85Å; T794-C835 WeakPolarHBondContact O-CA 3.45Å; C835-T874 HydrophobicContact CB-CG2 3.58Å; C835-T874 WeakPolarHBondContact CB-OG1 3.4Å
836V87.4Confident89.6Confident62 Ų6246.4 Ų46.438%0.37625%0.246SC..SBendtrans-89.5-33.5-176.9-176.60000112.3T756 T794 R834T756-V836 WeakPolarHBondContact CG2-O 3.35Å; T794-V836 PolarHBondContact O-N 3.23Å; R834-V836 VanDerWaalsContact NH1-CG2 3.33Å
837S88.7Confident89.9Confident43 Ų4340.1 Ų40.130%0.30122%0.219SC..SBendtrans-105.5154.1175.962.90000111.9T794 R841T794-S837 WeakPolarHBondContact CB-OG 3.49Å; T794-S837 PolarHBondContact OG1-OG 3.3Å; S837-R841 VanDerWaalsContact O-CZ 3.3Å; S837-R841 PolarHBondContact O-NH1 2.85Å; S837-R841 PolarHBondContact O-NH2 3.01Å; S837-R841 PolarHBondContact OG-NH2 2.9Å
838T89Confident89.9Confident83 Ų8338.9 Ų38.951%0.50922%0.216SC..  trans-74.7161.1175.652.40000112T874 V876T838-T874 CarbonylContact C-O 3.59Å; T838-T874 VanDerWaalsContact CA-O 3.22Å; T838-T874 WeakPolarHBondContact CA-O 3.48Å; T838-T874 WeakPolarHBondContact CB-O 3.38Å; T838-V876 HydrophobicContact CG2-CG1 3.85Å
839G89.1Confident90Very high20 Ų2032.7 Ų32.721%0.20619%0.187CC..EExtended strand (participates in β ladder)trans120.7172.217500000114.8T874G839-T874 PolarHBondContact N-O 3Å; G839-T874 PolarHBondContact O-N 2.79Å
840P90.4Very high89.9Confident87 Ų8729.7 Ų29.757%0.56518%0.177SC*.EExtended strand (participates in β ladder)trans-79138-178.231.9-34.1000112T871P840-T871 HydrophobicContact CB-CG2 4.31Å
841R90.9Very high89.9Confident0 Ų027.5 Ų27.50%016%0.162CC..EExtended strand (participates in β ladder)trans-132.2133175.4-68.2173.2174.986.4-3110.5L783 L791 T794 T795 S837 F843 T871 V872 T874L783-R841 HydrophobicContact CD1-CB 4.02Å; L783-R841 HydrophobicContact CD1-CG 4.25Å; L791-R841 HydrophobicContact CD2-CG 4.16Å; T794-R841 PolarHBondContact OG1-NH2 2.99Å; T795-R841 VanDerWaalsContact OG1-CD 3.29Å; T795-R841 WeakPolarHBondContact OG1-CD 3.28Å; T795-R841 PolarHBondContact OG1-NE 3.25Å; S837-R841 VanDerWaalsContact O-CZ 3.3Å; S837-R841 PolarHBondContact O-NH1 2.85Å; S837-R841 PolarHBondContact O-NH2 3.01Å; S837-R841 PolarHBondContact OG-NH2 2.9Å; R841-F843 HydrophobicContact CB-CD2 4.25Å; R841-F843 HydrophobicContact CB-CE2 3.61Å; R841-F843 HydrophobicContact CB-CZ 4.25Å; R841-T871 CarbonylContact O-C 3.53Å; R841-T871 WeakPolarHBondContact O-CA 3.46Å; R841-V872 PolarHBondContact N-O 3.5Å; R841-V872 PolarHBondContact O-N 2.93Å; R841-T874 PolarHBondContact NH1-OG1 3.48Å
842I92Very high89.6Confident57 Ų5730.3 Ų30.329%0.29218%0.177SC..EExtended strand (participates in β ladder)trans-92.9119174.5-54.1174.8000108.7K784 Q787 T869K784-I842 HydrophobicContact CB-CB 4.37Å; K784-I842 HydrophobicContact CB-CG2 4.17Å; K784-I842 WeakPolarHBondContact CB-O 3.39Å; K784-I842 HydrophobicContact CD-CG2 3.97Å; K784-I842 PolarHBondContact N-O 3.49Å; Q787-I842 PolarHBondContact NE2-O 3.34Å; I842-T869 HydrophobicContact CG2-CG2 4.45Å
843F91Very high89.2Confident2 Ų229.2 Ų29.21%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-99132.9173.7-70.8-91.6000110G782 T795 V797 M833 R841 F845 T869 V870 V872G782-F843 CarbonylContact O-C 3.58Å; G782-F843 VanDerWaalsContact O-CA 3.25Å; G782-F843 WeakPolarHBondContact O-CA 3.2Å; T795-F843 HydrophobicContact CG2-CE1 3.81Å; T795-F843 HydrophobicContact CG2-CZ 3.71Å; V797-F843 HydrophobicContact CG2-CE1 4.02Å; M833-F843 HydrophobicContact CB-CE1 4.17Å; M833-F843 HydrophobicContact CB-CZ 4.21Å; M833-F843 HydrophobicContact CE-CD1 3.81Å; M833-F843 HydrophobicContact CE-CD2 3.89Å; M833-F843 HydrophobicContact CE-CE1 3.83Å; M833-F843 HydrophobicContact CE-CE2 3.9Å; M833-F843 HydrophobicContact CE-CG 3.86Å; M833-F843 HydrophobicContact CE-CZ 3.88Å; M833-F843 HydrophobicContact CG-CZ 4.28Å; M833-F843 HydrophobicContact SD-CD1 4.31Å; M833-F843 HydrophobicContact SD-CD2 3.91Å; M833-F843 HydrophobicContact SD-CE1 3.79Å; M833-F843 HydrophobicContact SD-CE2 3.31Å; M833-F843 WeakPolarHBondContact SD-CE2 3.37Å; M833-F843 HydrophobicContact SD-CG 4.38Å; M833-F843 HydrophobicContact SD-CZ 3.25Å; M833-F843 WeakPolarHBondContact SD-CZ 3.47Å; R841-F843 HydrophobicContact CB-CD2 4.25Å; R841-F843 HydrophobicContact CB-CE2 3.61Å; R841-F843 HydrophobicContact CB-CZ 4.25Å; F843-F845 HydrophobicContact CB-CE2 4.09Å; F843-T869 CarbonylContact O-C 3.53Å; F843-T869 WeakPolarHBondContact O-CA 3.34Å; F843-V870 HydrophobicContact CB-CG1 3.9Å; F843-V870 PolarHBondContact N-O 3.47Å; F843-V870 PolarHBondContact O-N 3.42Å; F843-V872 HydrophobicContact CD2-CB 4.25Å; F843-V872 HydrophobicContact CD2-CG2 4.06Å; F843-V872 HydrophobicContact CE2-CB 4.2Å; F843-V872 HydrophobicContact CE2-CG2 4.41Å
844L92.6Very high88.7Confident23 Ų2331.9 Ų31.912%0.1220%0.199CC..EExtended strand (participates in β ladder)trans-100.5135.6176.517366.8000109.6A781 G782 K784 H846 D867 T869A781-L844 VanDerWaalsContact CA-O 3.25Å; A781-L844 WeakPolarHBondContact CA-O 3.46Å; G782-L844 PolarHBondContact N-O 3.49Å; G782-L844 PolarHBondContact O-N 2.9Å; K784-L844 HydrophobicContact CB-CB 4.06Å; K784-L844 HydrophobicContact CG-CB 4.29Å; L844-H846 HydrophobicContact CD1-CB 4.4Å; L844-H846 HydrophobicContact CD2-CB 4.37Å; L844-H846 HydrophobicContact CG-CB 4.25Å; L844-D867 HydrophobicContact CD1-CB 4.17Å; L844-T869 HydrophobicContact CB-CG2 4.46Å; L844-T869 HydrophobicContact CD1-CG2 3.79Å
845F92.6Very high88.1Confident1 Ų131.4 Ų31.40%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-123.399.2168.5-65.2-98.2000107.9L748 I762 L764 L779 T780 A781 V831 F843 E868 V870L748-F845 HydrophobicContact CD1-CD2 3.65Å; L748-F845 HydrophobicContact CD1-CE2 3.95Å; L748-F845 HydrophobicContact CD1-CG 4.29Å; L748-F845 HydrophobicContact CD2-CB 4.35Å; L748-F845 HydrophobicContact CD2-CD1 3.86Å; L748-F845 HydrophobicContact CD2-CD2 3.8Å; L748-F845 HydrophobicContact CD2-CE1 4.03Å; L748-F845 HydrophobicContact CD2-CE2 4Å; L748-F845 HydrophobicContact CD2-CG 3.74Å; L748-F845 HydrophobicContact CD2-CZ 4.11Å; L748-F845 HydrophobicContact CG-CD2 4.41Å; I762-F845 HydrophobicContact CB-CZ 4.26Å; I762-F845 HydrophobicContact CD1-CE2 4.47Å; I762-F845 HydrophobicContact CD1-CZ 4.25Å; I762-F845 HydrophobicContact CG2-CE1 4.49Å; I762-F845 HydrophobicContact CG2-CE2 4.47Å; I762-F845 HydrophobicContact CG2-CZ 3.85Å; L764-F845 HydrophobicContact CD1-CB 4.42Å; L764-F845 HydrophobicContact CD1-CD1 3.99Å; L764-F845 HydrophobicContact CD1-CG 4.46Å; L764-F845 HydrophobicContact CD2-CD1 4.35Å; L779-F845 HydrophobicContact CD1-CD1 4.48Å; T780-F845 CarbonylContact O-C 3.54Å; T780-F845 WeakPolarHBondContact O-CA 3.49Å; A781-F845 HydrophobicContact CB-CD1 3.84Å; A781-F845 HydrophobicContact CB-CE1 4.04Å; V831-F845 HydrophobicContact CB-CE1 4.23Å; V831-F845 HydrophobicContact CG2-CE1 3.93Å; F843-F845 HydrophobicContact CB-CE2 4.09Å; F845-E868 PolarHBondContact N-O 3.02Å; F845-E868 PolarHBondContact O-N 2.85Å; F845-V870 HydrophobicContact CD2-CG1 4.45Å; F845-V870 HydrophobicContact CE2-CG1 3.78Å
846H91.3Very high87.3Confident47 Ų4737.3 Ų37.322%0.21823%0.226CC..EExtended strand (participates in β ladder)trans-104.5117.5-178.7170.588.7000109.8L779 T780 L844 H865 D867L779-H846 CarbonylContact C-O 3.56Å; L779-H846 WeakPolarHBondContact CA-O 3.49Å; T780-H846 PolarHBondContact N-O 2.84Å; T780-H846 PolarHBondContact O-N 2.86Å; L844-H846 HydrophobicContact CD1-CB 4.4Å; L844-H846 HydrophobicContact CD2-CB 4.37Å; L844-H846 HydrophobicContact CG-CB 4.25Å; H846-H865 VanDerWaalsContact CE1-CB 3.42Å; H846-H865 WeakPolarHBondContact CE1-CB 3.41Å; H846-H865 AromaticContact CE1-CD2 3.7Å; H846-H865 AromaticContact CE1-CG 3.68Å; H846-D867 IonicContact CE1-OD1 2.85Å; H846-D867 IonicContact CG-OD1 2.78Å; H846-D867 IonicContact ND1-OD1 2.67Å; H846-D867 PolarHBondContact ND1-OD1 2.9Å
847V91.3Very high86.4Confident0 Ų037.7 Ų37.70%024%0.243CC..EExtended strand (participates in β ladder)trans-108.1111.6177.5-178.80000109.3V746 V766 V777 K778 L779 H865 K866V746-V847 HydrophobicContact CG2-CB 4.27Å; V746-V847 HydrophobicContact CG2-CG2 3.76Å; V766-V847 HydrophobicContact CG1-CG1 4.13Å; V766-V847 HydrophobicContact CG2-CG2 4.09Å; V777-V847 HydrophobicContact CG1-CG1 3.61Å; K778-V847 CarbonylContact O-C 3.56Å; K778-V847 VanDerWaalsContact O-CA 3.31Å; K778-V847 WeakPolarHBondContact O-CA 3.46Å; L779-V847 HydrophobicContact CD1-CG2 4.04Å; V847-H865 CarbonylContact O-C 3.52Å; V847-H865 WeakPolarHBondContact O-CA 3.37Å; V847-K866 PolarHBondContact N-O 3.38Å; V847-K866 PolarHBondContact O-N 2.7Å
848A89.6Confident85.7Confident26 Ų2640.6 Ų40.622%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-105.9144.7177.600000111.3V777 K778 C864 H865V777-A848 CarbonylContact C-O 3.54Å; V777-A848 VanDerWaalsContact CA-O 3.31Å; V777-A848 WeakPolarHBondContact CA-O 3.43Å; K778-A848 PolarHBondContact N-O 3.26Å; K778-A848 PolarHBondContact O-N 3.44Å; A848-C864 WeakPolarHBondContact CA-O 3.35Å; A848-H865 HydrophobicContact CB-CB 4.33Å
849Y90.8Very high85.1Confident9 Ų944.6 Ų44.64%0.03526%0.26CS..EExtended strand (participates in β ladder)trans-157.3167.9177.667.1-77.6000112P742 R743 I744 E770 A774 I851 C864P742-Y849 WeakPolarHBondContact CA-OH 3.34Å; P742-Y849 HydrophobicContact CB-CE1 4.11Å; P742-Y849 WeakPolarHBondContact CB-OH 3.38Å; R743-Y849 PolarHBondContact N-OH 3.43Å; R743-Y849 VanDerWaalsContact N-OH 3.11Å; I744-Y849 HydrophobicContact CB-CE1 4.24Å; I744-Y849 HydrophobicContact CD1-CD1 3.36Å; I744-Y849 HydrophobicContact CD1-CD2 4.03Å; I744-Y849 HydrophobicContact CD1-CE1 3.31Å; I744-Y849 HydrophobicContact CD1-CE2 3.98Å; I744-Y849 HydrophobicContact CD1-CG 3.72Å; I744-Y849 HydrophobicContact CG1-CD1 4.23Å; I744-Y849 HydrophobicContact CG1-CE1 3.65Å; I744-Y849 HydrophobicContact CG1-CE2 4.31Å; E770-Y849 HydrophobicContact CG-CE2 4.1Å; E770-Y849 PolarHBondContact OE1-OH 2.68Å; A774-Y849 HydrophobicContact CB-CD2 3.58Å; A774-Y849 HydrophobicContact CB-CE2 4.16Å; A774-Y849 HydrophobicContact CB-CG 4.17Å; Y849-I851 HydrophobicContact CE2-CB 4.48Å; Y849-C864 HydrophobicContact CD1-CB 3.94Å; Y849-C864 HydrophobicContact CD2-CB 4.18Å; Y849-C864 HydrophobicContact CE1-CB 3.4Å; Y849-C864 VanDerWaalsContact CE1-CB 3.4Å; Y849-C864 HydrophobicContact CE2-CB 3.69Å; Y849-C864 HydrophobicContact CG-CB 4.31Å; Y849-C864 PolarHBondContact N-O 3.5Å; Y849-C864 PolarHBondContact O-N 2.65Å; Y849-C864 VanDerWaalsContact O-O 3.05Å
850S87.5Confident84.7Confident28 Ų2844.5 Ų44.520%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-118.8146.7175.661.30000111.9K775 C862K775-S850 PolarHBondContact N-O 3.34Å; K775-S850 PolarHBondContact O-N 2.86Å; K775-S850 PolarHBondContact O-OG 2.89Å; S850-C862 WeakPolarHBondContact CA-O 3.36Å
851I87.6Confident84.4Confident2 Ų244.2 Ų44.21%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-141.6138.1179.1-164.7170.1000111.5E770 V772 Y849 C862E770-I851 HydrophobicContact CB-CD1 3.9Å; E770-I851 HydrophobicContact CG-CD1 3.82Å; E770-I851 VanDerWaalsContact OE2-CD1 3.29Å; E770-I851 WeakPolarHBondContact OE2-CD1 3.41Å; V772-I851 HydrophobicContact CB-CD1 4.18Å; V772-I851 HydrophobicContact CB-CG1 4.23Å; Y849-I851 HydrophobicContact CE2-CB 4.48Å; I851-C862 HydrophobicContact CG2-CB 3.87Å; I851-C862 PolarHBondContact N-O 3.15Å; I851-C862 PolarHBondContact O-N 3.43Å
852D83.6Confident84Confident61 Ų6144.4 Ų44.433%0.32625%0.252SS..EExtended strand (participates in β ladder)trans-92.4119.7174.6-60.2-40000109K775 V861K775-D852 IonicContact NZ-OD2 3.56Å; K775-D852 PolarHBondContact NZ-OD2 3.27Å; D852-V861 VanDerWaalsContact OD1-CG2 3.3Å; D852-V861 WeakPolarHBondContact OD1-CG2 3.32Å
853T80.1Confident83.6Confident36 Ų3650.2 Ų50.222%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-133.9162.6177.5-169.30000111.3D600 I860D600-T853 HydrophobicContact CB-CG2 4.36Å; T853-I860 HydrophobicContact CG2-CD1 3.86Å; T853-I860 HydrophobicContact CG2-CG1 3.53Å; T853-I860 PolarHBondContact N-O 3.47Å; T853-I860 PolarHBondContact O-N 3.15Å; T853-I860 VanDerWaalsContact O-O 3.09Å
854A78.8Confident83.3Confident57 Ų5750.2 Ų50.247%0.47128%0.276SS..EExtended strand (participates in β ladder)trans-122.5131.4177.700000111R858A854-R858 VanDerWaalsContact CA-O 3.28Å; A854-R858 WeakPolarHBondContact CA-O 3.1Å
855V77.3Confident83.1Confident13 Ų1353.2 Ų53.28%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-126.9121.5178.8-175.70000108.4D600 V660 G857 R858 I860D600-V855 HydrophobicContact CB-CG2 4.08Å; D600-V855 VanDerWaalsContact O-CG2 3.23Å; D600-V855 WeakPolarHBondContact O-CG2 3.37Å; V660-V855 HydrophobicContact CG1-CB 4.39Å; V660-V855 HydrophobicContact CG1-CG1 4.42Å; V660-V855 HydrophobicContact CG2-CG1 4.19Å; V855-G857 PolarHBondContact O-N 2.89Å; V855-G857 VanDerWaalsContact O-N 3.11Å; V855-R858 PolarHBondContact N-O 2.94Å; V855-R858 PolarHBondContact O-N 3.4Å; V855-I860 HydrophobicContact CG2-CD1 3.71Å; V855-I860 HydrophobicContact CG2-CG1 4.4Å
856E72.3Confident83Confident126 Ų12656.2 Ų56.259%0.58930%0.302SS*.THydrogen-bonded Turntrans47.738.8-175.5-61.8-171161.200113.4P602 V660 R858P602-E856 WeakPolarHBondContact CB-OE1 3.42Å; V660-E856 HydrophobicContact CG2-CB 4.22Å; E856-R858 PolarHBondContact O-N 2.99Å
857G67.8Low82.9Confident71 Ų7157.5 Ų57.573%0.73231%0.31SS*.THydrogen-bonded Turntrans82.7-0.3178.700000115.9V855V855-G857 PolarHBondContact O-N 2.89Å; V855-G857 VanDerWaalsContact O-N 3.11Å
858R73.6Confident82.9Confident103 Ų10360.5 Ų60.539%0.38932%0.324SS..EExtended strand (participates in β ladder)trans-97.1127.2173.4-64-176.1-176.11774.1111.1W634 A854 V855 E856W634-R858 VanDerWaalsContact CE2-NH2 3.33Å; A854-R858 VanDerWaalsContact CA-O 3.28Å; A854-R858 WeakPolarHBondContact CA-O 3.1Å; V855-R858 PolarHBondContact N-O 2.94Å; V855-R858 PolarHBondContact O-N 3.4Å; E856-R858 PolarHBondContact O-N 2.99Å
859H77.4Confident83Confident168 Ų16862.6 Ų62.678%0.77833%0.334SS*.EExtended strand (participates in β ladder)trans-76.2126173-73.6-83.4000110.7
860I81.2Confident83Confident18 Ų1862.9 Ų62.99%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-127.9138.7177.159.9173.3000110.1D600 T663 T853 V855D600-I860 HydrophobicContact CB-CD1 4.18Å; T663-I860 HydrophobicContact CG2-CB 4Å; T663-I860 HydrophobicContact CG2-CG2 4.44Å; T853-I860 HydrophobicContact CG2-CD1 3.86Å; T853-I860 HydrophobicContact CG2-CG1 3.53Å; T853-I860 PolarHBondContact N-O 3.47Å; T853-I860 PolarHBondContact O-N 3.15Å; T853-I860 VanDerWaalsContact O-O 3.09Å; V855-I860 HydrophobicContact CG2-CD1 3.71Å; V855-I860 HydrophobicContact CG2-CG1 4.4Å
861V82.4Confident83.2Confident81 Ų8165.8 Ų65.849%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-100.6108.8174.6-172.80000108.3T663 D852T663-V861 WeakPolarHBondContact CG2-O 3.47Å; D852-V861 VanDerWaalsContact OD1-CG2 3.3Å; D852-V861 WeakPolarHBondContact OD1-CG2 3.32Å
862C82.5Confident83.4Confident4 Ų465.7 Ų65.73%0.02735%0.353CS..EExtended strand (participates in β ladder)trans-94.8129.6-177.9-660000110.2R740 S850 I851R740-C862 HydrophobicContact CB-CB 4.26Å; S850-C862 WeakPolarHBondContact CA-O 3.36Å; I851-C862 HydrophobicContact CG2-CB 3.87Å; I851-C862 PolarHBondContact N-O 3.15Å; I851-C862 PolarHBondContact O-N 3.43Å
863K84.1Confident83.7Confident178 Ų17868.4 Ų68.477%0.77436%0.364SS*.EExtended strand (participates in β ladder)trans-91120.2166.6-65.1-175.9-179.3-178.20108.7
864C85.9Confident84.3Confident3 Ų366.8 Ų66.82%0.0235%0.354CS..EExtended strand (participates in β ladder)trans-116.9152-176.9-65.20000109.6P742 A848 Y849P742-C864 HydrophobicContact CB-CB 4.25Å; A848-C864 WeakPolarHBondContact CA-O 3.35Å; Y849-C864 HydrophobicContact CD1-CB 3.94Å; Y849-C864 HydrophobicContact CD2-CB 4.18Å; Y849-C864 HydrophobicContact CE1-CB 3.4Å; Y849-C864 VanDerWaalsContact CE1-CB 3.4Å; Y849-C864 HydrophobicContact CE2-CB 3.69Å; Y849-C864 HydrophobicContact CG-CB 4.31Å; Y849-C864 PolarHBondContact N-O 3.5Å; Y849-C864 PolarHBondContact O-N 2.65Å; Y849-C864 VanDerWaalsContact O-O 3.05Å
865H88.4Confident84.9Confident86 Ų8665.7 Ų65.740%0.39834%0.342SS..EExtended strand (participates in β ladder)trans-146.9154.4171.465.2-82.6000111P742 H846 V847 A848 D867P742-H865 VanDerWaalsContact CG-O 3.28Å; P742-H865 WeakPolarHBondContact CG-O 3.24Å; H846-H865 VanDerWaalsContact CE1-CB 3.42Å; H846-H865 WeakPolarHBondContact CE1-CB 3.41Å; H846-H865 AromaticContact CE1-CD2 3.7Å; H846-H865 AromaticContact CE1-CG 3.68Å; V847-H865 CarbonylContact O-C 3.52Å; V847-H865 WeakPolarHBondContact O-CA 3.37Å; A848-H865 HydrophobicContact CB-CB 4.33Å; H865-D867 IonicContact CD2-OD1 3.38Å
866K88.7Confident85.6Confident64 Ų6468.7 Ų68.728%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-135.5124.8177.1176.563177.7152.60109.3P742 V746 V847 E868P742-K866 HydrophobicContact CG-CB 4.47Å; V746-K866 HydrophobicContact CG2-CG 3.98Å; V847-K866 PolarHBondContact N-O 3.38Å; V847-K866 PolarHBondContact O-N 2.7Å; K866-E868 WeakPolarHBondContact CE-OE1 3.39Å; K866-E868 IonicContact NZ-OE1 3.29Å; K866-E868 PolarHBondContact NZ-OE1 3.3Å
867D89.3Confident86.4Confident74 Ų7463 Ų6340%0.39633%0.333SS..EExtended strand (participates in β ladder)trans-105.6134.6179.5-653.1000110L844 H846 H865L844-D867 HydrophobicContact CD1-CB 4.17Å; H846-D867 IonicContact CE1-OD1 2.85Å; H846-D867 IonicContact CG-OD1 2.78Å; H846-D867 IonicContact ND1-OD1 2.67Å; H846-D867 PolarHBondContact ND1-OD1 2.9Å; H865-D867 IonicContact CD2-OD1 3.38Å
868E91.8Very high87.5Confident63 Ų6360.3 Ų60.329%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-127.3139.6164.7-71.1-59.7154.400109.3V746 L748 F845 K866V746-E868 HydrophobicContact CB-CB 4.48Å; V746-E868 HydrophobicContact CB-CG 3.67Å; V746-E868 HydrophobicContact CG1-CB 4.05Å; V746-E868 HydrophobicContact CG1-CG 3.77Å; L748-E868 HydrophobicContact CD1-CB 4.2Å; F845-E868 PolarHBondContact N-O 3.02Å; F845-E868 PolarHBondContact O-N 2.85Å; K866-E868 WeakPolarHBondContact CE-OE1 3.39Å; K866-E868 IonicContact NZ-OE1 3.29Å; K866-E868 PolarHBondContact NZ-OE1 3.3Å
869T91.9Very high88.3Confident69 Ų6960.1 Ų60.142%0.42331%0.305SS..EExtended strand (participates in β ladder)trans-128.9141.3-179.7580000111.3K784 I842 F843 L844K784-T869 HydrophobicContact CD-CG2 4.42Å; I842-T869 HydrophobicContact CG2-CG2 4.45Å; F843-T869 CarbonylContact O-C 3.53Å; F843-T869 WeakPolarHBondContact O-CA 3.34Å; L844-T869 HydrophobicContact CB-CG2 4.46Å; L844-T869 HydrophobicContact CD1-CG2 3.79Å
870V91.8Very high88.9Confident16 Ų1653.9 Ų53.910%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-128.7135.5177.463.30000110.5L748 H750 I762 F843 F845 V872L748-V870 HydrophobicContact CD1-CB 4.06Å; L748-V870 HydrophobicContact CD1-CG1 4.16Å; H750-V870 VanDerWaalsContact NE2-CG2 3.25Å; H750-V870 WeakPolarHBondContact NE2-CG2 3.42Å; I762-V870 HydrophobicContact CD1-CG1 3.89Å; F843-V870 HydrophobicContact CB-CG1 3.9Å; F843-V870 PolarHBondContact N-O 3.47Å; F843-V870 PolarHBondContact O-N 3.42Å; F845-V870 HydrophobicContact CD2-CG1 4.45Å; F845-V870 HydrophobicContact CE2-CG1 3.78Å; V870-V872 HydrophobicContact CG1-CG2 4.33Å; V870-V872 HydrophobicContact CG2-CG2 4.26Å
871T91.7Very high89.4Confident88 Ų8858.1 Ų58.154%0.5430%0.301SS..EExtended strand (participates in β ladder)trans-95.2122.1173.9-54.10000109.2P840 R841P840-T871 HydrophobicContact CB-CG2 4.31Å; R841-T871 CarbonylContact O-C 3.53Å; R841-T871 WeakPolarHBondContact O-CA 3.46Å
872V91.3Very high89.8Confident1 Ų155.9 Ų55.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-117.5122.7178.9-1760000109.1A754 F760 I762 M833 R841 F843 V870A754-V872 HydrophobicContact CB-CG1 3.72Å; F760-V872 HydrophobicContact CD1-CG1 4.27Å; F760-V872 HydrophobicContact CE1-CG1 3.93Å; F760-V872 HydrophobicContact CE1-CG2 4.25Å; F760-V872 HydrophobicContact CZ-CG1 4.26Å; I762-V872 HydrophobicContact CD1-CG2 4.17Å; M833-V872 HydrophobicContact SD-CG1 4.44Å; M833-V872 HydrophobicContact SD-CG2 4.42Å; R841-V872 PolarHBondContact N-O 3.5Å; R841-V872 PolarHBondContact O-N 2.93Å; F843-V872 HydrophobicContact CD2-CB 4.25Å; F843-V872 HydrophobicContact CD2-CG2 4.06Å; F843-V872 HydrophobicContact CE2-CB 4.2Å; F843-V872 HydrophobicContact CE2-CG2 4.41Å; V870-V872 HydrophobicContact CG1-CG2 4.33Å; V870-V872 HydrophobicContact CG2-CG2 4.26Å
873E90.6Very high90.2Very high117 Ų11760.1 Ų60.155%0.54731%0.306SS..EExtended strand (participates in β ladder)trans-88130.3175.5-171.9172.8-171.500110.3P753 A754 V875P753-E873 CarbonylContact C-O 3.53Å; P753-E873 WeakPolarHBondContact CA-O 3.5Å; P753-E873 HydrophobicContact CB-CB 4.48Å; P753-E873 VanDerWaalsContact CB-O 3.23Å; P753-E873 WeakPolarHBondContact CB-O 3.44Å; A754-E873 PolarHBondContact N-O 3.13Å; E873-V875 HydrophobicContact CG-CG1 4.17Å
874T92Very high90.5Very high3 Ų353.1 Ų53.12%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-103.2125.2175.7-51.40000111A754 C835 T838 G839 R841A754-T874 CarbonylContact O-C 3.57Å; A754-T874 VanDerWaalsContact O-CA 3.23Å; A754-T874 WeakPolarHBondContact O-CA 3.45Å; C835-T874 HydrophobicContact CB-CG2 3.58Å; C835-T874 WeakPolarHBondContact CB-OG1 3.4Å; T838-T874 CarbonylContact C-O 3.59Å; T838-T874 VanDerWaalsContact CA-O 3.22Å; T838-T874 WeakPolarHBondContact CA-O 3.48Å; T838-T874 WeakPolarHBondContact CB-O 3.38Å; G839-T874 PolarHBondContact N-O 3Å; G839-T874 PolarHBondContact O-N 2.79Å; R841-T874 PolarHBondContact NH1-OG1 3.48Å
875V91.7Very high90.6Very high34 Ų3453.6 Ų53.621%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-124.6161.2-177.5-57.20000112.4P753 A754 L755 T756 E873P753-V875 HydrophobicContact CB-CG1 4.32Å; P753-V875 HydrophobicContact CB-CG2 4.12Å; P753-V875 HydrophobicContact CG-CG2 3.8Å; A754-V875 PolarHBondContact O-N 3.06Å; L755-V875 CarbonylContact C-O 3.54Å; L755-V875 WeakPolarHBondContact CA-O 3.37Å; L755-V875 HydrophobicContact CD2-CG2 3.61Å; T756-V875 PolarHBondContact N-O 3.1Å; T756-V875 PolarHBondContact OG1-O 2.79Å; E873-V875 HydrophobicContact CG-CG1 4.17Å
876V91Very high90.4Very high76 Ų7650.2 Ų50.246%0.46126%0.264SS..  trans-76141172.2-70.30000110.6T838T838-V876 HydrophobicContact CG2-CG1 3.85Å
877P89.6Confident90Very high5 Ų551.3 Ų51.33%0.03228%0.276CS..SBendtrans-76.6-31.3-175.429.5-35.7000113.8S910 L915 W976P877-S910 PolarHBondContact O-N 3.04Å; P877-L915 HydrophobicContact CB-CD1 4Å; P877-W976 HydrophobicContact CB-CH2 3.94Å; P877-W976 HydrophobicContact CB-CZ2 3.62Å; P877-W976 HydrophobicContact CB-CZ3 4.49Å; P877-W976 HydrophobicContact CG-CH2 4.35Å; P877-W976 HydrophobicContact CG-CZ2 3.58Å
878F91.1Very high89.5Confident15 Ų1553.8 Ų53.87%0.06628%0.283CS..EExtended strand (participates in β ladder)trans-139.4148.1-174.6-49.1-73.1000113.2V880 I907 R908 L915 L917 L943 I974 W976 T990F878-V880 HydrophobicContact CB-CG2 4.26Å; F878-I907 HydrophobicContact CB-CG2 3.97Å; F878-I907 HydrophobicContact CD1-CG2 3.73Å; F878-I907 HydrophobicContact CE1-CG2 4.49Å; F878-I907 HydrophobicContact CG-CG2 3.94Å; F878-R908 CarbonylContact C-O 3.55Å; F878-R908 VanDerWaalsContact CA-O 3.24Å; F878-R908 WeakPolarHBondContact CA-O 3.43Å; F878-L915 HydrophobicContact CD1-CD1 4.33Å; F878-L915 HydrophobicContact CE1-CB 4.28Å; F878-L915 HydrophobicContact CE1-CD1 3.49Å; F878-L915 VanDerWaalsContact CE1-CD1 3.49Å; F878-L915 HydrophobicContact CE2-CD1 4.43Å; F878-L915 HydrophobicContact CZ-CB 4.31Å; F878-L915 HydrophobicContact CZ-CD1 3.55Å; F878-L917 HydrophobicContact CE1-CD2 3.73Å; F878-L917 HydrophobicContact CE2-CD2 4.35Å; F878-L917 HydrophobicContact CZ-CD2 3.48Å; F878-L917 VanDerWaalsContact CZ-CD2 3.48Å; F878-L943 HydrophobicContact CE1-CD1 4.34Å; F878-I974 HydrophobicContact CD2-CD1 4.29Å; F878-I974 HydrophobicContact CE2-CG2 4.14Å; F878-W976 HydrophobicContact CE2-CB 4.18Å; F878-W976 AromaticContact CE2-CD1 3.45Å; F878-W976 VanDerWaalsContact CE2-CD1 3.45Å; F878-W976 AromaticContact CE2-CD2 3.89Å; F878-W976 HydrophobicContact CE2-CD2 3.89Å; F878-W976 AromaticContact CE2-CE2 3.97Å; F878-W976 AromaticContact CE2-CG 3.56Å; F878-W976 HydrophobicContact CE2-CG 3.56Å; F878-W976 AromaticContact CE2-NE1 3.62Å; F878-W976 HydrophobicContact CZ-CB 3.94Å; F878-W976 HydrophobicContact CZ-CD2 4.01Å; F878-W976 AromaticContact CZ-CG 3.72Å; F878-W976 HydrophobicContact CZ-CG 3.72Å; F878-T990 HydrophobicContact CD2-CG2 4.45Å
879E90.5Very high88.9Confident100 Ų10057.1 Ų57.147%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-100126.2160.7-72.7169.4-172.900108.6R908E879-R908 HydrophobicContact CB-CB 4.29Å; E879-R908 PolarHBondContact N-O 3.41Å; E879-R908 PolarHBondContact O-N 3.08Å; E879-R908 IonicContact OE2-NH1 2.73Å; E879-R908 PolarHBondContact OE2-NH1 2.89Å
880V90.6Very high88.5Confident37 Ų3759.3 Ų59.322%0.22430%0.302CS..EExtended strand (participates in β ladder)trans-120.8123-177.2-175.70000110.7F878 D906 I907 Y972 I974 V992F878-V880 HydrophobicContact CB-CG2 4.26Å; V880-D906 CarbonylContact C-O 3.6Å; V880-D906 WeakPolarHBondContact CA-O 3.14Å; V880-I907 HydrophobicContact CG1-CG1 4.36Å; V880-I907 HydrophobicContact CG2-CG1 4.14Å; V880-I907 HydrophobicContact CG2-CG2 4.43Å; V880-Y972 HydrophobicContact CG1-CD1 4.15Å; V880-Y972 HydrophobicContact CG1-CE1 4.34Å; V880-I974 HydrophobicContact CG2-CD1 3.88Å; V880-V992 HydrophobicContact CB-CG1 4.25Å; V880-V992 HydrophobicContact CB-CG2 3.99Å; V880-V992 HydrophobicContact CG1-CG1 4.26Å; V880-V992 HydrophobicContact CG1-CG2 4.34Å; V880-V992 HydrophobicContact CG2-CG2 3.84Å
881L91.6Very high88.1Confident107 Ų10764 Ų6456%0.5633%0.334SS*.EExtended strand (participates in β ladder)trans-111.8131.9-177.5-115.1153.4000110.4T905 D906L881-T905 CarbonylContact O-C 3.33Å; L881-T905 WeakPolarHBondContact O-CA 3.48Å; L881-D906 HydrophobicContact CB-CB 3.99Å; L881-D906 PolarHBondContact N-O 3.26Å; L881-D906 PolarHBondContact O-N 2.62Å
882V90.6Very high87.7Confident33 Ų3362.2 Ų62.220%0.232%0.32CS..EExtended strand (participates in β ladder)trans-121131.6-174.7-174.20000110.7L903 M904 T905 L994 P995V882-L903 HydrophobicContact CG1-CD1 3.32Å; V882-M904 CarbonylContact C-O 3.56Å; V882-M904 WeakPolarHBondContact CA-O 3.48Å; V882-T905 HydrophobicContact CG2-CG2 4.34Å; V882-L994 HydrophobicContact CG1-CD2 4.08Å; V882-L994 HydrophobicContact CG2-CD2 3.96Å; V882-P995 HydrophobicContact CB-CG 4.39Å; V882-P995 HydrophobicContact CG1-CG 4.11Å
883K90.2Very high87.2Confident94 Ų9470.7 Ų70.741%0.40936%0.36SS..EExtended strand (participates in β ladder)trans-134.1138.8-178.5-59.6170.9-175.2144.90111.9L903 M904 D906K883-L903 WeakPolarHBondContact O-CA 3.29Å; K883-M904 HydrophobicContact CB-CB 4.41Å; K883-M904 PolarHBondContact N-O 2.94Å; K883-M904 PolarHBondContact O-N 3.15Å; K883-D906 IonicContact NZ-OD2 2.88Å; K883-D906 PolarHBondContact NZ-OD2 3.01Å
884F89.8Confident86.8Confident31 Ų3169.2 Ų69.214%0.13635%0.353CS..EExtended strand (participates in β ladder)trans-104.2126.5169.6-58.6-70.9000110.1L892 F901 L902 L903 T969 P995 V997F884-L892 PolarHBondContact O-N 3.07Å; F884-F901 HydrophobicContact CD1-CD2 4.14Å; F884-F901 AromaticContact CD1-CE2 3.67Å; F884-F901 HydrophobicContact CD1-CE2 3.67Å; F884-F901 HydrophobicContact CE1-CE2 4.1Å; F884-L902 WeakPolarHBondContact CA-O 3.45Å; F884-L903 HydrophobicContact CD1-CD1 3.96Å; F884-L903 HydrophobicContact CE1-CD1 3.64Å; F884-L903 HydrophobicContact CZ-CD1 4.31Å; F884-T969 HydrophobicContact CE1-CG2 4.22Å; F884-T969 HydrophobicContact CZ-CG2 4.28Å; F884-P995 HydrophobicContact CE2-CB 4.27Å; F884-P995 HydrophobicContact CE2-CG 3.61Å; F884-P995 HydrophobicContact CZ-CG 3.93Å; F884-V997 HydrophobicContact CD1-CG2 4.2Å; F884-V997 HydrophobicContact CD2-CG2 4.22Å; F884-V997 HydrophobicContact CE1-CG2 3.59Å; F884-V997 HydrophobicContact CE2-CG2 3.63Å; F884-V997 HydrophobicContact CG-CG2 4.47Å; F884-V997 HydrophobicContact CZ-CG2 3.29Å
885V88.1Confident86.4Confident12 Ų1269.2 Ų69.27%0.07335%0.353CS..EExtended strand (participates in β ladder)trans-135.4156.7-178.8-56.40000111.5F889 E890 L902 M904V885-F889 HydrophobicContact CG2-CD1 4.18Å; V885-E890 CarbonylContact C-O 3.58Å; V885-E890 WeakPolarHBondContact CA-O 3.41Å; V885-E890 WeakPolarHBondContact CB-O 3.36Å; V885-L902 HydrophobicContact CG2-CB 3.67Å; V885-L902 HydrophobicContact CG2-CD1 4.16Å; V885-L902 HydrophobicContact CG2-CG 4.39Å; V885-L902 PolarHBondContact N-O 3.44Å; V885-L902 PolarHBondContact O-N 3.46Å; V885-M904 HydrophobicContact CG2-SD 4.32Å
886S84.3Confident85.8Confident16 Ų1668 Ų6811%0.11235%0.346CS..EExtended strand (participates in β ladder)trans-70170.7175.578.10000110.5K888 F889 E890S886-K888 PolarHBondContact O-N 3.44Å; S886-K888 PolarHBondContact OG-N 2.94Å; S886-K888 VanDerWaalsContact OG-N 3.1Å; S886-F889 WeakPolarHBondContact O-CA 3.34Å; S886-F889 PolarHBondContact O-N 2.93Å; S886-E890 PolarHBondContact N-O 2.71Å; S886-E890 WeakPolarHBondContact OG-CB 3.33Å; S886-E890 PolarHBondContact OG-N 2.96Å
887T80.8Confident85.3Confident87 Ų8766.2 Ų66.253%0.53434%0.336SS..THydrogen-bonded Turntrans-62.3-10.6170.2530000113.3P900T887-P900 HydrophobicContact CG2-CB 4.37Å; T887-P900 HydrophobicContact CG2-CG 4.26Å
888K77.9Confident84.8Confident125 Ų12568.3 Ų68.354%0.54335%0.346SS..THydrogen-bonded Turntrans-98.39.3171.4-58177.1-176.41690113.2S886 E890S886-K888 PolarHBondContact O-N 3.44Å; S886-K888 PolarHBondContact OG-N 2.94Å; S886-K888 VanDerWaalsContact OG-N 3.1Å; K888-E890 HydrophobicContact CB-CG 4.31Å; K888-E890 PolarHBondContact O-N 3.28Å
889F80.9Confident84.4Confident133 Ų13368.9 Ų68.958%0.58335%0.35SS*.SBendtrans63.421.5-175.1-63.5-91.6000115V885 S886 L902 M904V885-F889 HydrophobicContact CG2-CD1 4.18Å; S886-F889 WeakPolarHBondContact O-CA 3.34Å; S886-F889 PolarHBondContact O-N 2.93Å; F889-L902 HydrophobicContact CD1-CD1 4.22Å; F889-L902 HydrophobicContact CE1-CD1 3.82Å; F889-L902 HydrophobicContact CE2-CD1 4.33Å; F889-L902 HydrophobicContact CZ-CD1 3.88Å; F889-M904 HydrophobicContact CD1-SD 4.37Å; F889-M904 HydrophobicContact CE1-SD 4.44Å
890E82.2Confident84.1Confident115 Ų11566.7 Ų66.754%0.53735%0.345SS..  trans-84.7136.7174.1-62.8171162.200109.7V885 S886 K888 L892V885-E890 CarbonylContact C-O 3.58Å; V885-E890 WeakPolarHBondContact CA-O 3.41Å; V885-E890 WeakPolarHBondContact CB-O 3.36Å; S886-E890 PolarHBondContact N-O 2.71Å; S886-E890 WeakPolarHBondContact OG-CB 3.33Å; S886-E890 PolarHBondContact OG-N 2.96Å; K888-E890 HydrophobicContact CB-CG 4.31Å; K888-E890 PolarHBondContact O-N 3.28Å; E890-L892 PolarHBondContact O-N 3.27Å
891P83.8Confident83.9Confident116 Ų11665 Ų6575%0.75333%0.334SS*.BIsolated β-bridgetrans-56.3134.5178.4-24.133.6000112.5
892L83.1Confident83.8Confident49 Ų4961 Ų6126%0.25731%0.313SS..  trans-110.5117.9176.5-67.9179000110.8F884 E890 V895 F901F884-L892 PolarHBondContact O-N 3.07Å; E890-L892 PolarHBondContact O-N 3.27Å; L892-V895 HydrophobicContact CD1-CG2 4.25Å; L892-F901 HydrophobicContact CD1-CB 3.62Å
893E80.3Confident83.8Confident179 Ų17959.4 Ų59.484%0.83630%0.303SS*.SBendtrans-82.3-30.1167.5-63.7-174172.500111.8
894Q82.6Confident83.8Confident86 Ų8657 Ų5740%0.40229%0.294SS..EExtended strand (participates in β ladder)trans-133.7143.3178.4-58.2-177.8-1.300109.4I998 E1000Q894-I998 WeakPolarHBondContact CA-O 3.43Å; Q894-I998 HydrophobicContact CG-CB 4.13Å; Q894-I998 HydrophobicContact CG-CG2 3.96Å; Q894-E1000 HydrophobicContact CB-CB 4.42Å
895V83.8Confident83.9Confident4 Ų455.6 Ų55.62%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-110.8126.1179.1173.30000108.7L892 F901 V997 I998 L999 E1000L892-V895 HydrophobicContact CD1-CG2 4.25Å; V895-F901 HydrophobicContact CB-CD1 4.37Å; V895-F901 HydrophobicContact CB-CE1 4.44Å; V895-F901 HydrophobicContact CG1-CD1 3.29Å; V895-F901 HydrophobicContact CG1-CE1 3.45Å; V895-F901 VanDerWaalsContact CG1-CE1 3.45Å; V895-F901 HydrophobicContact CG1-CG 3.91Å; V895-F901 HydrophobicContact CG1-CZ 4.14Å; V895-F901 HydrophobicContact CG2-CD1 4.14Å; V895-F901 HydrophobicContact CG2-CD2 3.95Å; V895-F901 HydrophobicContact CG2-CE1 4.29Å; V895-F901 HydrophobicContact CG2-CE2 4.08Å; V895-F901 HydrophobicContact CG2-CG 3.96Å; V895-F901 HydrophobicContact CG2-CZ 4.24Å; V895-V997 HydrophobicContact CB-CG1 3.64Å; V895-V997 HydrophobicContact CG2-CG1 3.41Å; V895-V997 VanDerWaalsContact CG2-CG1 3.41Å; V895-I998 PolarHBondContact N-O 3.49Å; V895-L999 WeakPolarHBondContact O-CA 3.47Å; V895-E1000 PolarHBondContact O-N 3.34Å
896A79.7Confident84Confident8 Ų856.3 Ų56.37%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-72.1134.6175.400000111D898 I899 E1000 V1002A896-D898 PolarHBondContact O-N 3.25Å; A896-I899 HydrophobicContact CB-CB 4Å; A896-I899 HydrophobicContact CB-CD1 3.6Å; A896-I899 HydrophobicContact CB-CG1 3.86Å; A896-I899 PolarHBondContact O-N 2.8Å; A896-E1000 WeakPolarHBondContact CA-O 3.49Å; A896-V1002 HydrophobicContact CB-CG2 3.96Å
897V81.1Confident84.4Confident38 Ų3855.6 Ų55.623%0.2329%0.286CS..THydrogen-bonded Turntrans-60.2136.9178.3-178.20000109.7I899 P959 L999 E1000V897-I899 PolarHBondContact O-N 2.77Å; V897-P959 HydrophobicContact CG1-CB 4.44Å; V897-L999 HydrophobicContact CG2-CB 4.06Å; V897-L999 HydrophobicContact CG2-CD1 4.15Å; V897-L999 HydrophobicContact CG2-CD2 4.31Å; V897-L999 HydrophobicContact CG2-CG 4.41Å; V897-E1000 PolarHBondContact N-O 3.49Å; V897-E1000 VanDerWaalsContact N-O 3.1Å
898D77.9Confident85Confident49 Ų4957.1 Ų57.126%0.26228%0.282SS..THydrogen-bonded Turntrans6218.9-179.8-155.345.6000114.6A896 R956 C957A896-D898 PolarHBondContact O-N 3.25Å; D898-R956 VanDerWaalsContact C-NE 3.32Å; D898-R956 VanDerWaalsContact CG-CZ 3.43Å; D898-R956 PolarHBondContact O-NE 3Å; D898-R956 PolarHBondContact O-NH2 3.22Å; D898-R956 IonicContact OD1-CZ 2.81Å; D898-R956 IonicContact OD1-NE 2.63Å; D898-R956 PolarHBondContact OD1-NE 3.05Å; D898-R956 IonicContact OD1-NH1 3.61Å; D898-R956 IonicContact OD1-NH2 3.06Å; D898-R956 PolarHBondContact OD1-NH2 2.9Å; D898-R956 IonicContact OD2-CZ 2.65Å; D898-R956 IonicContact OD2-NH2 3.1Å; D898-R956 PolarHBondContact OD2-NH2 2.8Å; D898-C957 WeakPolarHBondContact CA-O 3.4Å; D898-C957 PolarHBondContact N-O 2.98Å
899I81.9Confident85.6Confident28 Ų2851.2 Ų51.214%0.14426%0.257CS..  trans-113.7133.1172.5-56.2-167.7000110A896 V897 Y1005 F1101A896-I899 HydrophobicContact CB-CB 4Å; A896-I899 HydrophobicContact CB-CD1 3.6Å; A896-I899 HydrophobicContact CB-CG1 3.86Å; A896-I899 PolarHBondContact O-N 2.8Å; V897-I899 PolarHBondContact O-N 2.77Å; I899-Y1005 HydrophobicContact CD1-CD2 4.08Å; I899-Y1005 HydrophobicContact CD1-CE2 4Å; I899-F1101 HydrophobicContact CD1-CE1 3.55Å; I899-F1101 HydrophobicContact CD1-CZ 3.73Å
900P84.3Confident86Confident54 Ų5447 Ų4735%0.35124%0.244SC..EExtended strand (participates in β ladder)trans-69.9143.6-179.727.8-34.6000113T887 L955T887-P900 HydrophobicContact CG2-CB 4.37Å; T887-P900 HydrophobicContact CG2-CG 4.26Å; P900-L955 CarbonylContact C-O 3.54Å; P900-L955 WeakPolarHBondContact CA-O 3.47Å
901F88.2Confident86.3Confident2 Ų241.5 Ų41.51%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-142.7169.8175.768.1-78.2000110.8F884 L892 V895 V927 L955F884-F901 HydrophobicContact CD1-CD2 4.14Å; F884-F901 AromaticContact CD1-CE2 3.67Å; F884-F901 HydrophobicContact CD1-CE2 3.67Å; F884-F901 HydrophobicContact CE1-CE2 4.1Å; L892-F901 HydrophobicContact CD1-CB 3.62Å; V895-F901 HydrophobicContact CB-CD1 4.37Å; V895-F901 HydrophobicContact CB-CE1 4.44Å; V895-F901 HydrophobicContact CG1-CD1 3.29Å; V895-F901 HydrophobicContact CG1-CE1 3.45Å; V895-F901 VanDerWaalsContact CG1-CE1 3.45Å; V895-F901 HydrophobicContact CG1-CG 3.91Å; V895-F901 HydrophobicContact CG1-CZ 4.14Å; V895-F901 HydrophobicContact CG2-CD1 4.14Å; V895-F901 HydrophobicContact CG2-CD2 3.95Å; V895-F901 HydrophobicContact CG2-CE1 4.29Å; V895-F901 HydrophobicContact CG2-CE2 4.08Å; V895-F901 HydrophobicContact CG2-CG 3.96Å; V895-F901 HydrophobicContact CG2-CZ 4.24Å; F901-V927 HydrophobicContact CE1-CG1 4.05Å; F901-V927 HydrophobicContact CZ-CG1 3.79Å; F901-L955 HydrophobicContact CD1-CB 4.34Å; F901-L955 VanDerWaalsContact CD1-O 3.28Å; F901-L955 WeakPolarHBondContact CD1-O 3.26Å; F901-L955 HydrophobicContact CD2-CB 4.44Å; F901-L955 HydrophobicContact CE1-CB 3.87Å; F901-L955 HydrophobicContact CE2-CB 4.01Å; F901-L955 HydrophobicContact CE2-CD1 4.2Å; F901-L955 HydrophobicContact CZ-CB 3.72Å; F901-L955 HydrophobicContact CZ-CD1 4.28Å; F901-L955 PolarHBondContact N-O 2.9Å; F901-L955 PolarHBondContact O-N 3.46Å; F901-L955 VanDerWaalsContact O-O 3.13Å
902L89.4Confident86.4Confident21 Ų2139 Ų3911%0.1120%0.202CC..EExtended strand (participates in β ladder)trans-113.8138.2-177.3-53.5175.9000111.4F884 V885 F889 F953 C954F884-L902 WeakPolarHBondContact CA-O 3.45Å; V885-L902 HydrophobicContact CG2-CB 3.67Å; V885-L902 HydrophobicContact CG2-CD1 4.16Å; V885-L902 HydrophobicContact CG2-CG 4.39Å; V885-L902 PolarHBondContact N-O 3.44Å; V885-L902 PolarHBondContact O-N 3.46Å; F889-L902 HydrophobicContact CD1-CD1 4.22Å; F889-L902 HydrophobicContact CE1-CD1 3.82Å; F889-L902 HydrophobicContact CE2-CD1 4.33Å; F889-L902 HydrophobicContact CZ-CD1 3.88Å; L902-F953 CarbonylContact C-O 3.6Å; L902-F953 WeakPolarHBondContact CA-O 3.25Å; L902-C954 HydrophobicContact CD2-CB 3.77Å
903L90.1Very high86.7Confident0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-105.3122.1169.2170.468000109V882 K883 F884 L922 C952 F953 L955 L994V882-L903 HydrophobicContact CG1-CD1 3.32Å; K883-L903 WeakPolarHBondContact O-CA 3.29Å; F884-L903 HydrophobicContact CD1-CD1 3.96Å; F884-L903 HydrophobicContact CE1-CD1 3.64Å; F884-L903 HydrophobicContact CZ-CD1 4.31Å; L903-L922 HydrophobicContact CD2-CD1 3.82Å; L903-L922 HydrophobicContact CD2-CD2 3.95Å; L903-C952 CarbonylContact O-C 3.25Å; L903-C952 WeakPolarHBondContact O-CA 3.49Å; L903-F953 HydrophobicContact CB-CB 4.37Å; L903-F953 HydrophobicContact CD2-CD2 4.23Å; L903-F953 HydrophobicContact CG-CD2 4.42Å; L903-F953 PolarHBondContact N-O 3.33Å; L903-F953 PolarHBondContact O-N 3.23Å; L903-L955 HydrophobicContact CB-CD1 3.58Å; L903-L955 HydrophobicContact CB-CG 4.22Å; L903-L955 HydrophobicContact CD2-CD1 3.89Å; L903-L955 HydrophobicContact CG-CD1 4.35Å; L903-L994 HydrophobicContact CD2-CD1 4.31Å
904M90.6Very high87.2Confident45 Ų4532.6 Ų32.622%0.22217%0.168CC..EExtended strand (participates in β ladder)trans-111.1133.5174.7-62.1-174.268.800111V882 K883 V885 F889 E951 C952V882-M904 CarbonylContact C-O 3.56Å; V882-M904 WeakPolarHBondContact CA-O 3.48Å; K883-M904 HydrophobicContact CB-CB 4.41Å; K883-M904 PolarHBondContact N-O 2.94Å; K883-M904 PolarHBondContact O-N 3.15Å; V885-M904 HydrophobicContact CG2-SD 4.32Å; F889-M904 HydrophobicContact CD1-SD 4.37Å; F889-M904 HydrophobicContact CE1-SD 4.44Å; M904-E951 CarbonylContact C-O 3.56Å; M904-E951 VanDerWaalsContact CA-O 3.25Å; M904-E951 WeakPolarHBondContact CA-O 3.19Å; M904-C952 HydrophobicContact CG-CB 4.32Å
905T90.8Very high87.6Confident0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-121.4114.1176.155.90000110.5L881 V882 S950 E951 Y972L881-T905 CarbonylContact O-C 3.33Å; L881-T905 WeakPolarHBondContact O-CA 3.48Å; V882-T905 HydrophobicContact CG2-CG2 4.34Å; T905-S950 CarbonylContact O-C 3.58Å; T905-S950 VanDerWaalsContact O-CA 3.29Å; T905-S950 WeakPolarHBondContact O-CA 3.18Å; T905-E951 PolarHBondContact N-O 3.28Å; T905-E951 PolarHBondContact O-N 3.28Å; T905-Y972 HydrophobicContact CG2-CD2 4.34Å; T905-Y972 HydrophobicContact CG2-CE2 4.48Å; T905-Y972 HydrophobicContact CG2-CG 4.42Å
906D90.9Very high87.9Confident28 Ų2829.3 Ų29.315%0.1515%0.153CC..EExtended strand (participates in β ladder)trans-100.2113.1178.5-60-34.2000109.3V880 L881 K883 S950V880-D906 CarbonylContact C-O 3.6Å; V880-D906 WeakPolarHBondContact CA-O 3.14Å; L881-D906 HydrophobicContact CB-CB 3.99Å; L881-D906 PolarHBondContact N-O 3.26Å; L881-D906 PolarHBondContact O-N 2.62Å; K883-D906 IonicContact NZ-OD2 2.88Å; K883-D906 PolarHBondContact NZ-OD2 3.01Å; D906-S950 VanDerWaalsContact OD1-CB 3.25Å; D906-S950 WeakPolarHBondContact OD1-CB 3.44Å; D906-S950 PolarHBondContact OD1-OG 2.96Å
907I92.4Very high88.5Confident0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-102.8121.7177.6-59.9160.4000109.4F878 V880 L938 L943 S948 A949 Y972 I974F878-I907 HydrophobicContact CB-CG2 3.97Å; F878-I907 HydrophobicContact CD1-CG2 3.73Å; F878-I907 HydrophobicContact CE1-CG2 4.49Å; F878-I907 HydrophobicContact CG-CG2 3.94Å; V880-I907 HydrophobicContact CG1-CG1 4.36Å; V880-I907 HydrophobicContact CG2-CG1 4.14Å; V880-I907 HydrophobicContact CG2-CG2 4.43Å; I907-L938 HydrophobicContact CD1-CD1 3.21Å; I907-L938 HydrophobicContact CG1-CD1 4.44Å; I907-L943 HydrophobicContact CG2-CD1 4.12Å; I907-S948 CarbonylContact O-C 3.47Å; I907-S948 WeakPolarHBondContact O-CA 3.41Å; I907-A949 PolarHBondContact N-O 3.09Å; I907-A949 PolarHBondContact O-N 2.93Å; I907-Y972 HydrophobicContact CD1-CE1 3.65Å; I907-Y972 WeakPolarHBondContact CD1-OH 3.09Å; I907-Y972 HydrophobicContact CG1-CE1 3.93Å; I907-I974 HydrophobicContact CD1-CD1 3.73Å; I907-I974 HydrophobicContact CD1-CG1 4.15Å; I907-I974 HydrophobicContact CG1-CD1 3.9Å; I907-I974 HydrophobicContact CG2-CD1 4.16Å
908R92.3Very high88.7Confident119 Ų11928.5 Ų28.545%0.44915%0.149SC..EExtended strand (participates in β ladder)trans-113.5131.3175.7-176.9179.9-175.1-149.24110.8F878 E879 E947 S948F878-R908 CarbonylContact C-O 3.55Å; F878-R908 VanDerWaalsContact CA-O 3.24Å; F878-R908 WeakPolarHBondContact CA-O 3.43Å; E879-R908 HydrophobicContact CB-CB 4.29Å; E879-R908 PolarHBondContact N-O 3.41Å; E879-R908 PolarHBondContact O-N 3.08Å; E879-R908 IonicContact OE2-NH1 2.73Å; E879-R908 PolarHBondContact OE2-NH1 2.89Å; R908-E947 WeakPolarHBondContact CA-O 3.27Å; R908-S948 WeakPolarHBondContact CB-OG 3.21Å
909S91.9Very high89.2Confident2 Ų228.3 Ų28.31%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-79.1124.9178179.40000111.6Q944 G946 E947S909-Q944 WeakPolarHBondContact CB-O 3.43Å; S909-G946 PolarHBondContact O-N 3.18Å; S909-E947 PolarHBondContact N-O 3.19Å
910S88.4Confident89.5Confident43 Ų4327.3 Ų27.330%0.30115%0.147SC..  trans-101.2-3.8175.4-55.10000112.4P877P877-S910 PolarHBondContact O-N 3.04Å
911S88.4Confident89.7Confident0 Ų027.1 Ų27.10%015%0.147CC..  trans-75.5136176.4167.30000111.1W913 T945S911-W913 WeakPolarHBondContact CB-O 3.48Å; S911-W913 PolarHBondContact O-N 3.4Å; S911-W913 PolarHBondContact OG-N 2.96Å; S911-W913 PolarHBondContact OG-O 3.34Å; S911-T945 WeakPolarHBondContact O-CA 3.28Å; S911-T945 WeakPolarHBondContact O-CB 3.27Å; S911-T945 WeakPolarHBondContact O-CG2 3.29Å; S911-T945 PolarHBondContact O-OG1 3.22Å
912P86.8Confident89.6Confident63 Ų6328.1 Ų28.141%0.40915%0.152SC..SBendtrans-72.2-12.2170.730.3-32.8000112.8P753 T945P753-P912 HydrophobicContact CG-CG 3.92Å; P912-T945 VanDerWaalsContact CA-OG1 3.29Å; P912-T945 WeakPolarHBondContact CA-OG1 3.31Å; P912-T945 PolarHBondContact O-OG1 3.48Å
913W89.5Confident89.5Confident82 Ų8231.9 Ų31.931%0.31117%0.169SC..SBendtrans-103.2144.6178.6-56.2103.8000110.9Q751 P752 S911 L915Q751-W913 HydrophobicContact CB-CH2 4.47Å; Q751-W913 HydrophobicContact CB-CZ2 3.95Å; Q751-W913 HydrophobicContact CG-CZ2 4.46Å; Q751-W913 PolarHBondContact O-NE1 2.95Å; P752-W913 PolarHBondContact O-NE1 3.43Å; S911-W913 WeakPolarHBondContact CB-O 3.48Å; S911-W913 PolarHBondContact O-N 3.4Å; S911-W913 PolarHBondContact OG-N 2.96Å; S911-W913 PolarHBondContact OG-O 3.34Å; W913-L915 PolarHBondContact O-N 3.4Å
914P89.7Confident89.2Confident12 Ų1234.2 Ų34.28%0.07818%0.181CC..  trans-62.5126.6178-14.323.4000112.1V942 K979 Y980P914-V942 HydrophobicContact CB-CG1 4.04Å; P914-K979 HydrophobicContact CB-CB 4.09Å; P914-K979 HydrophobicContact CB-CD 4.23Å; P914-K979 PolarHBondContact O-N 3.44Å; P914-Y980 HydrophobicContact CG-CE2 4.08Å
915L91.6Very high88.8Confident0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-105.4130.5179.2-58.4-173.9000110.6L755 P877 F878 W913 V942 L943 W976 R978L755-L915 HydrophobicContact CD1-CD1 4.44Å; L755-L915 HydrophobicContact CD1-CD2 3.76Å; P877-L915 HydrophobicContact CB-CD1 4Å; F878-L915 HydrophobicContact CD1-CD1 4.33Å; F878-L915 HydrophobicContact CE1-CB 4.28Å; F878-L915 HydrophobicContact CE1-CD1 3.49Å; F878-L915 VanDerWaalsContact CE1-CD1 3.49Å; F878-L915 HydrophobicContact CE2-CD1 4.43Å; F878-L915 HydrophobicContact CZ-CB 4.31Å; F878-L915 HydrophobicContact CZ-CD1 3.55Å; W913-L915 PolarHBondContact O-N 3.4Å; L915-V942 CarbonylContact O-C 3.56Å; L915-V942 VanDerWaalsContact O-CA 3.31Å; L915-V942 WeakPolarHBondContact O-CA 3.5Å; L915-L943 PolarHBondContact N-O 3.28Å; L915-L943 PolarHBondContact O-N 2.71Å; L915-W976 HydrophobicContact CD1-CE3 4.1Å; L915-W976 HydrophobicContact CD1-CZ3 4.3Å; L915-W976 HydrophobicContact CD2-CE3 3.85Å; L915-W976 HydrophobicContact CD2-CZ3 3.76Å; L915-W976 HydrophobicContact CG-CE3 4.4Å; L915-R978 HydrophobicContact CD2-CG 4.26Å
916L90.7Very high87.9Confident22 Ų2239.4 Ų39.412%0.11522%0.215CC..EExtended strand (participates in β ladder)trans-91.6117.1172.7177.168.8000109S918 V942 W976 R977L916-S918 PolarHBondContact O-N 2.75Å; L916-V942 HydrophobicContact CD1-CG2 3.74Å; L916-W976 VanDerWaalsContact O-CA 3.22Å; L916-W976 WeakPolarHBondContact O-CA 3.42Å; L916-W976 WeakPolarHBondContact O-CB 3.47Å; L916-R977 PolarHBondContact N-O 2.94Å; L916-R977 PolarHBondContact O-N 3.38Å; L916-R977 VanDerWaalsContact O-N 3.13Å
917L90.6Very high87.4Confident1 Ų138.4 Ų38.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-82.8110.4171.1-57-174.5000108.9F878 L938 Q940 V941 L943 I974 W976F878-L917 HydrophobicContact CE1-CD2 3.73Å; F878-L917 HydrophobicContact CE2-CD2 4.35Å; F878-L917 HydrophobicContact CZ-CD2 3.48Å; F878-L917 VanDerWaalsContact CZ-CD2 3.48Å; L917-L938 HydrophobicContact CD1-CB 4.23Å; L917-L938 HydrophobicContact CD1-CD1 4.2Å; L917-Q940 VanDerWaalsContact O-CA 3.25Å; L917-Q940 WeakPolarHBondContact O-CA 3.47Å; L917-Q940 PolarHBondContact O-N 2.83Å; L917-V941 WeakPolarHBondContact CB-O 3.44Å; L917-V941 HydrophobicContact CD1-CB 4.47Å; L917-V941 PolarHBondContact N-O 3.05Å; L917-L943 HydrophobicContact CD1-CD1 3.74Å; L917-L943 HydrophobicContact CD1-CG 4.09Å; L917-L943 HydrophobicContact CG-CD1 4.35Å; L917-L943 HydrophobicContact CG-CG 4.49Å; L917-I974 HydrophobicContact CD2-CG2 3.77Å; L917-W976 HydrophobicContact CD2-CB 4.06Å
918S86.8Confident86.7Confident28 Ų2841.5 Ų41.520%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-77.5-42.4179.5-170.50000111.5L916 S975L916-S918 PolarHBondContact O-N 2.75Å; S918-S975 PolarHBondContact N-O 3.28Å
919S87.8Confident85.9Confident44 Ų4437.2 Ų37.231%0.30822%0.218SC..EExtended strand (participates in β ladder)trans-165.5155.1176.457.60000111.5S975S919-S975 PolarHBondContact N-O 3.27Å; S919-S975 PolarHBondContact O-N 2.87Å
920S89.4Confident84.6Confident8 Ų842.2 Ų42.26%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-114.6152.7163.559.80000110.8S936 E951 Y972 V973S920-S936 PolarHBondContact N-OG 3.34Å; S920-S936 WeakPolarHBondContact O-CB 3.45Å; S920-S936 PolarHBondContact OG-OG 3.04Å; S920-S936 VanDerWaalsContact OG-OG 3.13Å; S920-E951 WeakPolarHBondContact CB-OE2 3.35Å; S920-E951 VanDerWaalsContact OG-CD 3.23Å; S920-E951 PolarHBondContact OG-OE1 2.85Å; S920-E951 PolarHBondContact OG-OE2 2.88Å; S920-Y972 WeakPolarHBondContact CB-OH 3.35Å; S920-V973 CarbonylContact C-O 3.54Å; S920-V973 VanDerWaalsContact CA-O 3.3Å; S920-V973 WeakPolarHBondContact CA-O 3.28Å
921S87.5Confident83.2Confident50 Ų5043.8 Ų43.835%0.3525%0.252SS..EExtended strand (participates in β ladder)trans-144.7140.8173.665.70000111.9V973S921-V973 PolarHBondContact N-O 3.4Å; S921-V973 PolarHBondContact O-N 3.25Å
922L86.7Confident81.8Confident22 Ų2249.3 Ų49.312%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-104.8112.1178.2-169.672.7000109.5L903 L924 L934 F953 Y972 L994L903-L922 HydrophobicContact CD2-CD1 3.82Å; L903-L922 HydrophobicContact CD2-CD2 3.95Å; L922-L924 HydrophobicContact CD2-CD1 4.09Å; L922-L924 HydrophobicContact CD2-CD2 3.73Å; L922-L924 HydrophobicContact CD2-CG 3.9Å; L922-L924 HydrophobicContact CG-CD2 3.9Å; L922-L924 HydrophobicContact CG-CG 4Å; L922-L934 HydrophobicContact CB-CD1 4.5Å; L922-L934 HydrophobicContact CD2-CD1 4.22Å; L922-L934 HydrophobicContact CD2-CD2 4.5Å; L922-F953 HydrophobicContact CD2-CB 4.23Å; L922-F953 HydrophobicContact CD2-CD2 3.9Å; L922-F953 HydrophobicContact CD2-CE2 4.37Å; L922-F953 HydrophobicContact CD2-CG 3.97Å; L922-Y972 HydrophobicContact CD1-CD2 4.1Å; L922-L994 HydrophobicContact CD1-CD1 3.54Å
923Q86.9Confident80.7Confident101 Ų10151.6 Ų51.647%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-98.791179-62.8-178.8-1.900109.1G970 Q971Q923-G970 CarbonylContact O-C 3.58Å; Q923-G970 WeakPolarHBondContact O-CA 3.21Å; Q923-Q971 HydrophobicContact CB-CB 4.43Å; Q923-Q971 PolarHBondContact N-O 3.38Å; Q923-Q971 PolarHBondContact O-N 2.91Å
924L83.8Confident79.6Confident48 Ų4850.3 Ų50.325%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-80.7144.8-178.3-64.8172.1000111.9L922 V927 L934 L955 T969L922-L924 HydrophobicContact CD2-CD1 4.09Å; L922-L924 HydrophobicContact CD2-CD2 3.73Å; L922-L924 HydrophobicContact CD2-CG 3.9Å; L922-L924 HydrophobicContact CG-CD2 3.9Å; L922-L924 HydrophobicContact CG-CG 4Å; L924-V927 WeakPolarHBondContact CB-O 3.35Å; L924-L934 HydrophobicContact CD1-CD1 4.23Å; L924-L955 HydrophobicContact CD1-CD2 3.75Å; L924-L955 HydrophobicContact CD2-CD1 4.4Å; L924-L955 HydrophobicContact CD2-CD2 4.46Å; L924-T969 WeakPolarHBondContact CA-O 3.28Å; L924-T969 HydrophobicContact CD2-CG2 4.23Å
925V81.1Confident78.7Confident109 Ų10957.5 Ų57.566%0.66133%0.334SS*.SBendtrans-104-60.4178.2178.80000111.3T969V925-T969 PolarHBondContact N-O 2.88Å
926T73.4Confident78.2Confident45 Ų4558.7 Ų58.728%0.27634%0.342SS..SBendtrans-116.9-19.3-170.2-24.50000113.9T961 V967 A968T926-T961 HydrophobicContact CG2-CG2 3.88Å; T926-V967 HydrophobicContact CG2-CG1 3.27Å; T926-V967 WeakPolarHBondContact OG1-CG1 3.47Å; T926-A968 PolarHBondContact OG1-O 3.28Å
927V78.8Confident77.9Confident7 Ų762.7 Ų62.74%0.04236%0.361CS..  trans-94136.5179.9-176.50000108.7F901 L924 L955 R956F901-V927 HydrophobicContact CE1-CG1 4.05Å; F901-V927 HydrophobicContact CZ-CG1 3.79Å; L924-V927 WeakPolarHBondContact CB-O 3.35Å; V927-L955 HydrophobicContact CG1-CB 3.66Å; V927-L955 HydrophobicContact CG1-CD1 4.04Å; V927-L955 HydrophobicContact CG1-CD2 4.5Å; V927-L955 HydrophobicContact CG1-CG 4.28Å; V927-R956 WeakPolarHBondContact CG1-O 3.38Å
928T78.6Confident77.5Confident65 Ų6563.1 Ų63.140%0.39936%0.363SS..BIsolated β-bridgetrans-103.7155179.753.70000111.2L955 R956 P958T928-L955 CarbonylContact O-C 3.45Å; T928-L955 WeakPolarHBondContact O-CA 3.26Å; T928-R956 PolarHBondContact N-O 3.42Å; T928-R956 PolarHBondContact O-N 3.16Å; T928-R956 VanDerWaalsContact O-O 3.06Å; T928-R956 PolarHBondContact OG1-O 2.83Å; T928-P958 HydrophobicContact CG2-CG 4.33Å
929S75.3Confident77.4Confident30 Ų3068.1 Ų68.121%0.2138%0.383CS..  trans-109139.2169.5-175.30000109.4T931 C954S929-T931 VanDerWaalsContact C-N 3.28Å; S929-T931 PolarHBondContact OG-N 3.33Å; S929-T931 PolarHBondContact OG-OG1 3.03Å; S929-C954 WeakPolarHBondContact CB-O 3.29Å; S929-C954 PolarHBondContact OG-O 3.24Å
930N64.1Low77.4Confident106 Ų10671.2 Ų71.257%0.56739%0.393SS*.SBendtrans-84.6-2.4176.1-70.72.7000112.5
931T60.5Low77.3Confident77 Ų7773 Ų7347%0.47240%0.403SS..SBendtrans-100.6136.3178.943.10000111.6S929S929-T931 VanDerWaalsContact C-N 3.28Å; S929-T931 PolarHBondContact OG-N 3.33Å; S929-T931 PolarHBondContact OG-OG1 3.03Å
932P59.4Low77.5Confident116 Ų11672.8 Ų72.875%0.75340%0.4SS*.SBendtrans-64.9166.8175.628.9-33.7000111.8
933P62.3Low77.6Confident110 Ų11072 Ų7271%0.71440%0.395SS*.PPolyproline II helixtrans-50.4134.2-133.325.6-34.6000114.6Q935P933-Q935 VanDerWaalsContact C-N 3.35Å; P933-Q935 PolarHBondContact O-N 3.35Å
934L66.2Low77.9Confident56 Ų5670.9 Ų70.929%0.29339%0.39SS..  trans-59.388.3179.2-66.3145000110.4L922 L924 F953L922-L934 HydrophobicContact CB-CD1 4.5Å; L922-L934 HydrophobicContact CD2-CD1 4.22Å; L922-L934 HydrophobicContact CD2-CD2 4.5Å; L924-L934 HydrophobicContact CD1-CD1 4.23Å; L934-F953 HydrophobicContact CD2-CB 4.01Å; L934-F953 HydrophobicContact CD2-CD1 3.21Å; L934-F953 HydrophobicContact CD2-CE1 3.89Å; L934-F953 HydrophobicContact CD2-CG 3.9Å; L934-F953 HydrophobicContact CG-CD1 4.48Å
935Q71.1Confident78.1Confident162 Ų16272.5 Ų72.576%0.75740%0.402SS*.  trans-72.1140.7173.3-69.3-175-7.100109.9P933 Q937P933-Q935 VanDerWaalsContact C-N 3.35Å; P933-Q935 PolarHBondContact O-N 3.35Å; Q935-Q937 PolarHBondContact O-N 2.95Å; Q935-Q937 VanDerWaalsContact O-N 3.16Å
936S81.6Confident78.4Confident25 Ų2569 Ų6918%0.17539%0.388CS..  trans-57.8112.5174.5170.50000110.4S920 L938 Q939S920-S936 PolarHBondContact N-OG 3.34Å; S920-S936 WeakPolarHBondContact O-CB 3.45Å; S920-S936 PolarHBondContact OG-OG 3.04Å; S920-S936 VanDerWaalsContact OG-OG 3.13Å; S936-L938 PolarHBondContact O-N 3.09Å; S936-L938 PolarHBondContact OG-N 3.37Å; S936-Q939 PolarHBondContact OG-N 3.33Å
937Q83.4Confident79.3Confident107 Ų10771.3 Ų71.350%0.540%0.396SS..THydrogen-bonded Turntrans-73.3-12.2174.3-53.8171.423.100111.1Q935 E951 C952Q935-Q937 PolarHBondContact O-N 2.95Å; Q935-Q937 VanDerWaalsContact O-N 3.16Å; Q937-E951 WeakPolarHBondContact CA-OE1 3.4Å; Q937-E951 HydrophobicContact CB-CG 4.04Å; Q937-E951 VanDerWaalsContact CB-OE1 3.25Å; Q937-E951 WeakPolarHBondContact CB-OE1 3.13Å; Q937-E951 PolarHBondContact N-OE1 3.09Å; Q937-C952 PolarHBondContact NE2-O 2.92Å
938L83.6Confident79.8Confident9 Ų974.5 Ų74.55%0.04742%0.419CS..THydrogen-bonded Turntrans-103.516.7-177.8-56.3-176.6000114.9I907 L917 S936 Q940 V941 A949 E951I907-L938 HydrophobicContact CD1-CD1 3.21Å; I907-L938 HydrophobicContact CG1-CD1 4.44Å; L917-L938 HydrophobicContact CD1-CB 4.23Å; L917-L938 HydrophobicContact CD1-CD1 4.2Å; S936-L938 PolarHBondContact O-N 3.09Å; S936-L938 PolarHBondContact OG-N 3.37Å; L938-Q940 PolarHBondContact O-N 2.92Å; L938-V941 HydrophobicContact CB-CG2 4.45Å; L938-V941 WeakPolarHBondContact O-CG2 3.45Å; L938-V941 PolarHBondContact O-N 3.05Å; L938-A949 HydrophobicContact CD1-CB 4.34Å; L938-A949 HydrophobicContact CD2-CB 3.52Å; L938-E951 HydrophobicContact CD1-CG 3.71Å; L938-E951 HydrophobicContact CD2-CG 3.99Å; L938-E951 HydrophobicContact CG-CG 3.51Å
939Q85.1Confident80.3Confident133 Ų13372.1 Ų72.162%0.62141%0.405SS*.THydrogen-bonded Turntrans-62.9126.9-177.3-175.6173.52000111.4S936 V941S936-Q939 PolarHBondContact OG-N 3.33Å; Q939-V941 PolarHBondContact O-N 3.42Å
940Q85.8Confident80.9Confident110 Ų11073.8 Ų73.851%0.51442%0.417SS..THydrogen-bonded Turntrans60.821.3-179.3-59.1-61.2-54.100115.1L917 L938L917-Q940 VanDerWaalsContact O-CA 3.25Å; L917-Q940 WeakPolarHBondContact O-CA 3.47Å; L917-Q940 PolarHBondContact O-N 2.83Å; L938-Q940 PolarHBondContact O-N 2.92Å
941V89.1Confident82.1Confident46 Ų4668.8 Ų68.828%0.27939%0.39SS..EExtended strand (participates in β ladder)trans-75.4134173.6175.40000109.5L917 L938 Q939 L943L917-V941 WeakPolarHBondContact CB-O 3.44Å; L917-V941 HydrophobicContact CD1-CB 4.47Å; L917-V941 PolarHBondContact N-O 3.05Å; L938-V941 HydrophobicContact CB-CG2 4.45Å; L938-V941 WeakPolarHBondContact O-CG2 3.45Å; L938-V941 PolarHBondContact O-N 3.05Å; Q939-V941 PolarHBondContact O-N 3.42Å; V941-L943 HydrophobicContact CG1-CD2 4.2Å; V941-L943 HydrophobicContact CG1-CG 4.4Å
942V90Very high83.4Confident45 Ų4567 Ų6727%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-101.7121.8171.4177.70000108.2P914 L915 L916 K979P914-V942 HydrophobicContact CB-CG1 4.04Å; L915-V942 CarbonylContact O-C 3.56Å; L915-V942 VanDerWaalsContact O-CA 3.31Å; L915-V942 WeakPolarHBondContact O-CA 3.5Å; L916-V942 HydrophobicContact CD1-CG2 3.74Å; V942-K979 HydrophobicContact CG1-CD 4.15Å
943L90.6Very high84.8Confident5 Ų561.9 Ų61.93%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-100.5123.2173.8-68.5179.5000110.5F878 I907 L915 L917 V941 E947 A949F878-L943 HydrophobicContact CE1-CD1 4.34Å; I907-L943 HydrophobicContact CG2-CD1 4.12Å; L915-L943 PolarHBondContact N-O 3.28Å; L915-L943 PolarHBondContact O-N 2.71Å; L917-L943 HydrophobicContact CD1-CD1 3.74Å; L917-L943 HydrophobicContact CD1-CG 4.09Å; L917-L943 HydrophobicContact CG-CD1 4.35Å; L917-L943 HydrophobicContact CG-CG 4.49Å; V941-L943 HydrophobicContact CG1-CD2 4.2Å; V941-L943 HydrophobicContact CG1-CG 4.4Å; L943-E947 HydrophobicContact CD2-CB 4.11Å; L943-A949 HydrophobicContact CD2-CB 4.06Å
944Q91.6Very high85.9Confident77 Ų7758.8 Ų58.836%0.3633%0.327SS..PPolyproline II helixtrans-80.3168.9164.8-56.9-68.2-15.300110.7S909 G946 E947S909-Q944 WeakPolarHBondContact CB-O 3.43Å; Q944-G946 PolarHBondContact O-N 2.99Å; Q944-E947 HydrophobicContact CB-CG 4.02Å; Q944-E947 WeakPolarHBondContact CB-OE2 3.17Å; Q944-E947 WeakPolarHBondContact CG-OE2 3.28Å; Q944-E947 PolarHBondContact N-OE2 2.8Å; Q944-E947 PolarHBondContact O-N 3.45Å; Q944-E947 VanDerWaalsContact O-N 3.15Å
945T88.9Confident87Confident82 Ų8256.2 Ų56.250%0.50331%0.313SS..THydrogen-bonded Turntrans-53122.3176.7-41.30000111.5S911 P912 E947S911-T945 WeakPolarHBondContact O-CA 3.28Å; S911-T945 WeakPolarHBondContact O-CB 3.27Å; S911-T945 WeakPolarHBondContact O-CG2 3.29Å; S911-T945 PolarHBondContact O-OG1 3.22Å; P912-T945 VanDerWaalsContact CA-OG1 3.29Å; P912-T945 WeakPolarHBondContact CA-OG1 3.31Å; P912-T945 PolarHBondContact O-OG1 3.48Å; T945-E947 PolarHBondContact O-N 3.45Å
946G86.3Confident87.6Confident36 Ų3651.7 Ų51.737%0.37129%0.29SS..THydrogen-bonded Turntrans80.2-8.9176.300000115.7S909 Q944S909-G946 PolarHBondContact O-N 3.18Å; Q944-G946 PolarHBondContact O-N 2.99Å
947E92.1Very high87.7Confident93 Ų9350.6 Ų50.644%0.43528%0.282SS..  trans-67.8149.9171.9-69.9-178.3159.500110.8R908 S909 L943 Q944 T945R908-E947 WeakPolarHBondContact CA-O 3.27Å; S909-E947 PolarHBondContact N-O 3.19Å; L943-E947 HydrophobicContact CD2-CB 4.11Å; Q944-E947 HydrophobicContact CB-CG 4.02Å; Q944-E947 WeakPolarHBondContact CB-OE2 3.17Å; Q944-E947 WeakPolarHBondContact CG-OE2 3.28Å; Q944-E947 PolarHBondContact N-OE2 2.8Å; Q944-E947 PolarHBondContact O-N 3.45Å; Q944-E947 VanDerWaalsContact O-N 3.15Å; T945-E947 PolarHBondContact O-N 3.45Å
948S89.4Confident87.3Confident75 Ų7547.4 Ų47.452%0.52427%0.27SS..EExtended strand (participates in β ladder)trans-125.5142179.4-54.60000111.2I907 R908I907-S948 CarbonylContact O-C 3.47Å; I907-S948 WeakPolarHBondContact O-CA 3.41Å; R908-S948 WeakPolarHBondContact CB-OG 3.21Å
949A90.1Very high86.5Confident14 Ų1450.9 Ų50.912%0.11629%0.294CS..EExtended strand (participates in β ladder)trans-125.1138.5170.100000110.2I907 L938 L943I907-A949 PolarHBondContact N-O 3.09Å; I907-A949 PolarHBondContact O-N 2.93Å; L938-A949 HydrophobicContact CD1-CB 4.34Å; L938-A949 HydrophobicContact CD2-CB 3.52Å; L943-A949 HydrophobicContact CD2-CB 4.06Å
950S88.8Confident85.5Confident65 Ų6552.2 Ų52.246%0.45531%0.305SS..EExtended strand (participates in β ladder)trans-117.3138.1-174.9-59.40000110.9T905 D906T905-S950 CarbonylContact O-C 3.58Å; T905-S950 VanDerWaalsContact O-CA 3.29Å; T905-S950 WeakPolarHBondContact O-CA 3.18Å; D906-S950 VanDerWaalsContact OD1-CB 3.25Å; D906-S950 WeakPolarHBondContact OD1-CB 3.44Å; D906-S950 PolarHBondContact OD1-OG 2.96Å
951E88.9Confident84.3Confident1 Ų148.5 Ų48.51%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-115.8151167.9-55.1-166.48600110.7M904 T905 S920 Q937 L938 F953 Y972M904-E951 CarbonylContact C-O 3.56Å; M904-E951 VanDerWaalsContact CA-O 3.25Å; M904-E951 WeakPolarHBondContact CA-O 3.19Å; T905-E951 PolarHBondContact N-O 3.28Å; T905-E951 PolarHBondContact O-N 3.28Å; S920-E951 WeakPolarHBondContact CB-OE2 3.35Å; S920-E951 VanDerWaalsContact OG-CD 3.23Å; S920-E951 PolarHBondContact OG-OE1 2.85Å; S920-E951 PolarHBondContact OG-OE2 2.88Å; Q937-E951 WeakPolarHBondContact CA-OE1 3.4Å; Q937-E951 HydrophobicContact CB-CG 4.04Å; Q937-E951 VanDerWaalsContact CB-OE1 3.25Å; Q937-E951 WeakPolarHBondContact CB-OE1 3.13Å; Q937-E951 PolarHBondContact N-OE1 3.09Å; L938-E951 HydrophobicContact CD1-CG 3.71Å; L938-E951 HydrophobicContact CD2-CG 3.99Å; L938-E951 HydrophobicContact CG-CG 3.51Å; E951-F953 HydrophobicContact CB-CE1 4.48Å; E951-F953 HydrophobicContact CB-CE2 3.76Å; E951-F953 HydrophobicContact CB-CZ 3.71Å; E951-F953 HydrophobicContact CG-CZ 4.38Å; E951-Y972 WeakPolarHBondContact OE2-CE2 3.41Å; E951-Y972 PolarHBondContact OE2-OH 3.49Å
952C87.5Confident82.6Confident41 Ų4151 Ų5128%0.27731%0.309SS..EExtended strand (participates in β ladder)trans-130.6130.4177.5-175.40000110.8L903 M904 Q937L903-C952 CarbonylContact O-C 3.25Å; L903-C952 WeakPolarHBondContact O-CA 3.49Å; M904-C952 HydrophobicContact CG-CB 4.32Å; Q937-C952 PolarHBondContact NE2-O 2.92Å
953F87.6Confident81Confident8 Ų855.3 Ų55.34%0.03534%0.342CS..EExtended strand (participates in β ladder)trans-127129.8-177.3-53.6-68.8000110.8L902 L903 L922 L934 E951 L955 Y972L902-F953 CarbonylContact C-O 3.6Å; L902-F953 WeakPolarHBondContact CA-O 3.25Å; L903-F953 HydrophobicContact CB-CB 4.37Å; L903-F953 HydrophobicContact CD2-CD2 4.23Å; L903-F953 HydrophobicContact CG-CD2 4.42Å; L903-F953 PolarHBondContact N-O 3.33Å; L903-F953 PolarHBondContact O-N 3.23Å; L922-F953 HydrophobicContact CD2-CB 4.23Å; L922-F953 HydrophobicContact CD2-CD2 3.9Å; L922-F953 HydrophobicContact CD2-CE2 4.37Å; L922-F953 HydrophobicContact CD2-CG 3.97Å; L934-F953 HydrophobicContact CD2-CB 4.01Å; L934-F953 HydrophobicContact CD2-CD1 3.21Å; L934-F953 HydrophobicContact CD2-CE1 3.89Å; L934-F953 HydrophobicContact CD2-CG 3.9Å; L934-F953 HydrophobicContact CG-CD1 4.48Å; E951-F953 HydrophobicContact CB-CE1 4.48Å; E951-F953 HydrophobicContact CB-CE2 3.76Å; E951-F953 HydrophobicContact CB-CZ 3.71Å; E951-F953 HydrophobicContact CG-CZ 4.38Å; F953-L955 HydrophobicContact CB-CD2 4.45Å; F953-Y972 HydrophobicContact CE2-CE2 4.35Å
954C86.6Confident79.7Confident45 Ų4557.8 Ų57.830%0.30436%0.359SS..EExtended strand (participates in β ladder)trans-89123.3175.7-173.20000110.8L902 S929L902-C954 HydrophobicContact CD2-CB 3.77Å; S929-C954 WeakPolarHBondContact CB-O 3.29Å; S929-C954 PolarHBondContact OG-O 3.24Å
955L87.9Confident78.8Confident1 Ų160 Ų601%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-127.5155.5-169.2-61.6-172.5000111.5P900 F901 L903 L924 V927 T928 F953P900-L955 CarbonylContact C-O 3.54Å; P900-L955 WeakPolarHBondContact CA-O 3.47Å; F901-L955 HydrophobicContact CD1-CB 4.34Å; F901-L955 VanDerWaalsContact CD1-O 3.28Å; F901-L955 WeakPolarHBondContact CD1-O 3.26Å; F901-L955 HydrophobicContact CD2-CB 4.44Å; F901-L955 HydrophobicContact CE1-CB 3.87Å; F901-L955 HydrophobicContact CE2-CB 4.01Å; F901-L955 HydrophobicContact CE2-CD1 4.2Å; F901-L955 HydrophobicContact CZ-CB 3.72Å; F901-L955 HydrophobicContact CZ-CD1 4.28Å; F901-L955 PolarHBondContact N-O 2.9Å; F901-L955 PolarHBondContact O-N 3.46Å; F901-L955 VanDerWaalsContact O-O 3.13Å; L903-L955 HydrophobicContact CB-CD1 3.58Å; L903-L955 HydrophobicContact CB-CG 4.22Å; L903-L955 HydrophobicContact CD2-CD1 3.89Å; L903-L955 HydrophobicContact CG-CD1 4.35Å; L924-L955 HydrophobicContact CD1-CD2 3.75Å; L924-L955 HydrophobicContact CD2-CD1 4.4Å; L924-L955 HydrophobicContact CD2-CD2 4.46Å; V927-L955 HydrophobicContact CG1-CB 3.66Å; V927-L955 HydrophobicContact CG1-CD1 4.04Å; V927-L955 HydrophobicContact CG1-CD2 4.5Å; V927-L955 HydrophobicContact CG1-CG 4.28Å; T928-L955 CarbonylContact O-C 3.45Å; T928-L955 WeakPolarHBondContact O-CA 3.26Å; F953-L955 HydrophobicContact CB-CD2 4.45Å
956R84.5Confident78.3Confident68 Ų6859.5 Ų59.526%0.25737%0.37SS..EExtended strand (participates in β ladder)trans-145.7138.3177.9-169.4179-165.3-171.52.1110.1D898 V927 T928D898-R956 VanDerWaalsContact C-NE 3.32Å; D898-R956 VanDerWaalsContact CG-CZ 3.43Å; D898-R956 PolarHBondContact O-NE 3Å; D898-R956 PolarHBondContact O-NH2 3.22Å; D898-R956 IonicContact OD1-CZ 2.81Å; D898-R956 IonicContact OD1-NE 2.63Å; D898-R956 PolarHBondContact OD1-NE 3.05Å; D898-R956 IonicContact OD1-NH1 3.61Å; D898-R956 IonicContact OD1-NH2 3.06Å; D898-R956 PolarHBondContact OD1-NH2 2.9Å; D898-R956 IonicContact OD2-CZ 2.65Å; D898-R956 IonicContact OD2-NH2 3.1Å; D898-R956 PolarHBondContact OD2-NH2 2.8Å; V927-R956 WeakPolarHBondContact CG1-O 3.38Å; T928-R956 PolarHBondContact N-O 3.42Å; T928-R956 PolarHBondContact O-N 3.16Å; T928-R956 VanDerWaalsContact O-O 3.06Å; T928-R956 PolarHBondContact OG1-O 2.83Å
957C83.1Confident78.1Confident2 Ų258.6 Ų58.61%0.01436%0.357CS..  trans-91.9121.3174-168.70000110.3D898 L999D898-C957 WeakPolarHBondContact CA-O 3.4Å; D898-C957 PolarHBondContact N-O 2.98Å; C957-L999 HydrophobicContact CB-CD2 4.07Å; C957-L999 VanDerWaalsContact SG-CD2 3.53Å
958P76.6Confident77.6Confident39 Ų3955.7 Ų55.725%0.25335%0.349SS..  trans-70.6151-178.624.3-29.4000113T928 D960 T961T928-P958 HydrophobicContact CG2-CG 4.33Å; P958-D960 VanDerWaalsContact C-N 3.33Å; P958-D960 PolarHBondContact O-N 3.38Å; P958-T961 HydrophobicContact CG-CG2 4.13Å; P958-T961 PolarHBondContact O-N 3.49Å; P958-T961 PolarHBondContact O-OG1 3.49Å
959P66.3Low77.3Confident83 Ų8352.1 Ų52.154%0.53933%0.325SS..THydrogen-bonded Turntrans-68-21.2-170.825.1-33.7000115.5V897 T961V897-P959 HydrophobicContact CG1-CB 4.44Å; P959-T961 VanDerWaalsContact C-N 3.31Å; P959-T961 PolarHBondContact O-N 2.92Å
960D63.2Low77.2Confident160 Ų16051.9 Ų51.986%0.85632%0.324SS*.THydrogen-bonded Turntrans-90.519.2-178.1-66.2-37.3000114P958 S962P958-D960 VanDerWaalsContact C-N 3.33Å; P958-D960 PolarHBondContact O-N 3.38Å; D960-S962 PolarHBondContact O-N 3.02Å
961T60.3Low77.2Confident33 Ų3352.5 Ų52.520%0.20232%0.319CS..  trans-74116.7178.138.60000110.8T926 P958 P959T926-T961 HydrophobicContact CG2-CG2 3.88Å; P958-T961 HydrophobicContact CG-CG2 4.13Å; P958-T961 PolarHBondContact O-N 3.49Å; P958-T961 PolarHBondContact O-OG1 3.49Å; P959-T961 VanDerWaalsContact C-N 3.31Å; P959-T961 PolarHBondContact O-N 2.92Å
962S54.8Low77.3Confident97 Ų9752.5 Ų52.568%0.67832%0.319SS*.  trans-45.2161.7-17557.50000116.3D960 S964D960-S962 PolarHBondContact O-N 3.02Å; S962-S964 PolarHBondContact O-N 2.94Å
963S56.1Low77.4Confident137 Ų13750.9 Ų50.996%0.95831%0.308SS*.SBendtrans-40.511.7-17559.80000121.9
964S63Low77.6Confident57 Ų5750.5 Ų50.540%0.39931%0.306SS..  trans-100.6135.5176.6170.50000111.2S962 T966S962-S964 PolarHBondContact O-N 2.94Å; S964-T966 PolarHBondContact O-N 3.33Å; S964-T966 PolarHBondContact OG-N 3.43Å; S964-T966 VanDerWaalsContact OG-N 3.14Å; S964-T966 PolarHBondContact OG-O 3.48Å
965N72.3Confident77.8Confident124 Ų12449 Ų4966%0.66330%0.296SS*.SBendtrans-75-2.8174.5-69.5-10.4000113.4I998 L999N965-I998 CarbonylContact O-C 3.53Å; N965-I998 WeakPolarHBondContact O-CA 3.47Å; N965-L999 PolarHBondContact O-N 2.92Å
966T79.5Confident78Confident70 Ų7048.9 Ų48.943%0.42930%0.296SS..EExtended strand (participates in β ladder)trans-132.5147.2177.964.80000112.7S964 V997 I998S964-T966 PolarHBondContact O-N 3.33Å; S964-T966 PolarHBondContact OG-N 3.43Å; S964-T966 VanDerWaalsContact OG-N 3.14Å; S964-T966 PolarHBondContact OG-O 3.48Å; T966-V997 CarbonylContact C-O 3.53Å; T966-V997 VanDerWaalsContact CA-O 3.26Å; T966-V997 WeakPolarHBondContact CA-O 3.36Å; T966-I998 HydrophobicContact CG2-CG1 3.98Å
967V81.4Confident78.1Confident17 Ų1748.7 Ų48.710%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-137.3142.3-173.1-141.70000111.8T926 H996 V997 L999T926-V967 HydrophobicContact CG2-CG1 3.27Å; T926-V967 WeakPolarHBondContact OG1-CG1 3.47Å; V967-H996 CarbonylContact O-C 3.55Å; V967-H996 VanDerWaalsContact O-CA 3.3Å; V967-H996 WeakPolarHBondContact O-CA 3.2Å; V967-H996 PolarHBondContact O-ND1 3.24Å; V967-V997 PolarHBondContact N-O 3.27Å; V967-V997 PolarHBondContact O-N 3.08Å; V967-L999 HydrophobicContact CG2-CD1 3.42Å; V967-L999 VanDerWaalsContact CG2-CD1 3.42Å; V967-L999 HydrophobicContact CG2-CD2 3.71Å; V967-L999 HydrophobicContact CG2-CG 3.44Å; V967-L999 VanDerWaalsContact CG2-CG 3.44Å
968A81.6Confident78.4Confident32 Ų3249.7 Ų49.726%0.26430%0.298SS..  trans-77130.6176.500000111.4T926 H996T926-A968 PolarHBondContact OG1-O 3.28Å; A968-H996 WeakPolarHBondContact CA-ND1 3.41Å; A968-H996 PolarHBondContact N-ND1 2.94Å
969T83.3Confident78.7Confident1 Ų152.6 Ų52.61%0.00631%0.307CS..  trans-82-51.5-177.9-51.80000111.8F884 L924 V925 L994 P995 V997F884-T969 HydrophobicContact CE1-CG2 4.22Å; F884-T969 HydrophobicContact CZ-CG2 4.28Å; L924-T969 WeakPolarHBondContact CA-O 3.28Å; L924-T969 HydrophobicContact CD2-CG2 4.23Å; V925-T969 PolarHBondContact N-O 2.88Å; T969-L994 HydrophobicContact CG2-CB 4.09Å; T969-L994 HydrophobicContact CG2-CD1 3.81Å; T969-P995 VanDerWaalsContact CB-O 3.3Å; T969-P995 WeakPolarHBondContact CB-O 3.35Å; T969-P995 PolarHBondContact OG1-O 2.9Å; T969-V997 WeakPolarHBondContact OG1-CG2 3.31Å
970G87.9Confident79.3Confident9 Ų957 Ų579%0.09331%0.314CS..EExtended strand (participates in β ladder)trans143.1-150.8-179.300000115Q923 L994Q923-G970 CarbonylContact O-C 3.58Å; Q923-G970 WeakPolarHBondContact O-CA 3.21Å; G970-L994 VanDerWaalsContact O-CB 3.26Å; G970-L994 WeakPolarHBondContact O-CB 3.46Å; G970-L994 WeakPolarHBondContact O-CG 3.2Å; G970-L994 PolarHBondContact O-N 3.37Å
971Q89.9Confident80Confident78 Ų7851.7 Ų51.736%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-128.4152.6177.2-64.7-178.1-4.900111.4Q923 T991 V992Q923-Q971 HydrophobicContact CB-CB 4.43Å; Q923-Q971 PolarHBondContact N-O 3.38Å; Q923-Q971 PolarHBondContact O-N 2.91Å; Q971-T991 HydrophobicContact CB-CG2 4.18Å; Q971-T991 HydrophobicContact CG-CG2 4.39Å; Q971-V992 CarbonylContact C-O 3.55Å; Q971-V992 WeakPolarHBondContact CA-O 3.49Å
972Y90.3Very high80.5Confident0 Ų053.8 Ų53.80%031%0.306CS..EExtended strand (participates in β ladder)trans-119.7118.8175.5-178.9-108.6000109.4V880 T905 I907 S920 L922 E951 F953 I974 V992V880-Y972 HydrophobicContact CG1-CD1 4.15Å; V880-Y972 HydrophobicContact CG1-CE1 4.34Å; T905-Y972 HydrophobicContact CG2-CD2 4.34Å; T905-Y972 HydrophobicContact CG2-CE2 4.48Å; T905-Y972 HydrophobicContact CG2-CG 4.42Å; I907-Y972 HydrophobicContact CD1-CE1 3.65Å; I907-Y972 WeakPolarHBondContact CD1-OH 3.09Å; I907-Y972 HydrophobicContact CG1-CE1 3.93Å; S920-Y972 WeakPolarHBondContact CB-OH 3.35Å; L922-Y972 HydrophobicContact CD1-CD2 4.1Å; E951-Y972 WeakPolarHBondContact OE2-CE2 3.41Å; E951-Y972 PolarHBondContact OE2-OH 3.49Å; F953-Y972 HydrophobicContact CE2-CE2 4.35Å; Y972-I974 HydrophobicContact CD1-CD1 4.29Å; Y972-I974 HydrophobicContact CD1-CG1 4.05Å; Y972-I974 HydrophobicContact CE1-CD1 3.81Å; Y972-I974 HydrophobicContact CE1-CG1 3.59Å; Y972-V992 PolarHBondContact N-O 2.83Å; Y972-V992 PolarHBondContact O-N 3.36Å
973V90Very high81Confident7 Ų753 Ų534%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-115128-171.6-175.60000110.1S920 S921 Q989 T991S920-V973 CarbonylContact C-O 3.54Å; S920-V973 VanDerWaalsContact CA-O 3.3Å; S920-V973 WeakPolarHBondContact CA-O 3.28Å; S921-V973 PolarHBondContact N-O 3.4Å; S921-V973 PolarHBondContact O-N 3.25Å; V973-Q989 HydrophobicContact CG1-CB 4.46Å; V973-T991 HydrophobicContact CG2-CG2 4.06Å
974I91.6Very high81.5Confident1 Ų153.8 Ų53.81%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-114.6123.4-179.4-51.5168.2000108.8F878 V880 I907 L917 Y972 Q989 T990F878-I974 HydrophobicContact CD2-CD1 4.29Å; F878-I974 HydrophobicContact CE2-CG2 4.14Å; V880-I974 HydrophobicContact CG2-CD1 3.88Å; I907-I974 HydrophobicContact CD1-CD1 3.73Å; I907-I974 HydrophobicContact CD1-CG1 4.15Å; I907-I974 HydrophobicContact CG1-CD1 3.9Å; I907-I974 HydrophobicContact CG2-CD1 4.16Å; L917-I974 HydrophobicContact CD2-CG2 3.77Å; Y972-I974 HydrophobicContact CD1-CD1 4.29Å; Y972-I974 HydrophobicContact CD1-CG1 4.05Å; Y972-I974 HydrophobicContact CE1-CD1 3.81Å; Y972-I974 HydrophobicContact CE1-CG1 3.59Å; I974-Q989 CarbonylContact O-C 3.56Å; I974-Q989 WeakPolarHBondContact O-CA 3.22Å; I974-T990 PolarHBondContact N-O 3.37Å; I974-T990 PolarHBondContact O-N 3.46Å
975S90.3Very high82Confident12 Ų1252.2 Ų52.28%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-104124.6174.6-59.20000110.8S918 S919 I988S918-S975 PolarHBondContact N-O 3.28Å; S919-S975 PolarHBondContact N-O 3.27Å; S919-S975 PolarHBondContact O-N 2.87Å; S975-I988 CarbonylContact C-O 3.47Å; S975-I988 WeakPolarHBondContact CA-O 3.27Å
976W91.5Very high82.3Confident0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-149166.1-169.265.8-81.2000114L755 E758 P877 F878 L915 L916 L917 I988 T990L755-W976 HydrophobicContact CB-CH2 3.62Å; L755-W976 HydrophobicContact CB-CZ2 4.44Å; L755-W976 HydrophobicContact CB-CZ3 4.45Å; L755-W976 HydrophobicContact CD1-CH2 3.53Å; L755-W976 HydrophobicContact CD1-CZ3 3.5Å; L755-W976 VanDerWaalsContact CD1-CZ3 3.5Å; L755-W976 HydrophobicContact CG-CH2 4.21Å; E758-W976 HydrophobicContact CB-CH2 4.37Å; P877-W976 HydrophobicContact CB-CH2 3.94Å; P877-W976 HydrophobicContact CB-CZ2 3.62Å; P877-W976 HydrophobicContact CB-CZ3 4.49Å; P877-W976 HydrophobicContact CG-CH2 4.35Å; P877-W976 HydrophobicContact CG-CZ2 3.58Å; F878-W976 HydrophobicContact CE2-CB 4.18Å; F878-W976 AromaticContact CE2-CD1 3.45Å; F878-W976 VanDerWaalsContact CE2-CD1 3.45Å; F878-W976 AromaticContact CE2-CD2 3.89Å; F878-W976 HydrophobicContact CE2-CD2 3.89Å; F878-W976 AromaticContact CE2-CE2 3.97Å; F878-W976 AromaticContact CE2-CG 3.56Å; F878-W976 HydrophobicContact CE2-CG 3.56Å; F878-W976 AromaticContact CE2-NE1 3.62Å; F878-W976 HydrophobicContact CZ-CB 3.94Å; F878-W976 HydrophobicContact CZ-CD2 4.01Å; F878-W976 AromaticContact CZ-CG 3.72Å; F878-W976 HydrophobicContact CZ-CG 3.72Å; L915-W976 HydrophobicContact CD1-CE3 4.1Å; L915-W976 HydrophobicContact CD1-CZ3 4.3Å; L915-W976 HydrophobicContact CD2-CE3 3.85Å; L915-W976 HydrophobicContact CD2-CZ3 3.76Å; L915-W976 HydrophobicContact CG-CE3 4.4Å; L916-W976 VanDerWaalsContact O-CA 3.22Å; L916-W976 WeakPolarHBondContact O-CA 3.42Å; L916-W976 WeakPolarHBondContact O-CB 3.47Å; L917-W976 HydrophobicContact CD2-CB 4.06Å; W976-I988 VanDerWaalsContact CD1-O 3.23Å; W976-I988 HydrophobicContact CD2-CB 4.28Å; W976-I988 HydrophobicContact CE3-CD1 4.36Å; W976-I988 HydrophobicContact CH2-CB 4.49Å; W976-I988 HydrophobicContact CH2-CD1 3.61Å; W976-I988 HydrophobicContact CH2-CG2 4.4Å; W976-I988 HydrophobicContact CZ2-CB 3.96Å; W976-I988 HydrophobicContact CZ2-CD1 3.93Å; W976-I988 HydrophobicContact CZ2-CG2 3.59Å; W976-I988 HydrophobicContact CZ3-CD1 3.86Å; W976-I988 PolarHBondContact N-O 3.35Å; W976-I988 PolarHBondContact O-N 3.35Å; W976-T990 PolarHBondContact NE1-OG1 2.83Å
977R88.2Confident82.4Confident64 Ų6449 Ų4924%0.24227%0.269CS..EExtended strand (participates in β ladder)trans-154.5165.9168.261.3179.5179.6-173.60.6110.8L916 A983 L987L916-R977 PolarHBondContact N-O 2.94Å; L916-R977 PolarHBondContact O-N 3.38Å; L916-R977 VanDerWaalsContact O-N 3.13Å; R977-A983 PolarHBondContact NH1-O 2.91Å; R977-L987 HydrophobicContact CB-CD2 4.33Å; R977-L987 HydrophobicContact CG-CD2 4.09Å
978R88.9Confident82.7Confident23 Ų2349.2 Ų49.29%0.08727%0.269CS..EExtended strand (participates in β ladder)trans-65.6139.9171-58.7-178.2179.8-144.2-4.2109.6Q751 P753 E758 L915 Y980 S981Q751-R978 PolarHBondContact O-NH1 3.28Å; P753-R978 PolarHBondContact O-NH2 2.98Å; E758-R978 IonicContact OE1-CZ 3.16Å; E758-R978 IonicContact OE1-NE 2.67Å; E758-R978 IonicContact OE1-NH2 3.6Å; E758-R978 PolarHBondContact OE1-NH2 3.37Å; E758-R978 IonicContact OE2-CZ 3.6Å; E758-R978 IonicContact OE2-NE 2.73Å; E758-R978 PolarHBondContact OE2-NE 3.15Å; E758-R978 IonicContact OE2-NH2 3.3Å; E758-R978 PolarHBondContact OE2-NH2 2.88Å; L915-R978 HydrophobicContact CD2-CG 4.26Å; R978-Y980 VanDerWaalsContact C-N 3.25Å; R978-Y980 PolarHBondContact O-N 3.42Å; R978-S981 PolarHBondContact O-N 3.11Å
979K82.4Confident83Confident100 Ų10053.4 Ų53.444%0.43528%0.284SS..THydrogen-bonded Turntrans-57.2-36.3-177.2-178.8178-178.5176.90113.8P914 V942P914-K979 HydrophobicContact CB-CB 4.09Å; P914-K979 HydrophobicContact CB-CD 4.23Å; P914-K979 PolarHBondContact O-N 3.44Å; V942-K979 HydrophobicContact CG1-CD 4.15Å
980Y79.7Confident83.3Confident176 Ų17654.8 Ų54.869%0.6929%0.292SS*.THydrogen-bonded Turntrans-97.58.9-174.7-57.7-70.7000113.9P914 R978P914-Y980 HydrophobicContact CG-CE2 4.08Å; R978-Y980 VanDerWaalsContact C-N 3.25Å; R978-Y980 PolarHBondContact O-N 3.42Å
981S76.9Confident83.4Confident48 Ų4857.9 Ų57.934%0.33631%0.309SS..SBendtrans-69156.3171-68.20000111.1R978 S985R978-S981 PolarHBondContact O-N 3.11Å; S981-S985 WeakPolarHBondContact CB-OG 3.41Å
982S71.7Confident83.4Confident77 Ų7755.9 Ų55.954%0.53830%0.302SS..  trans-57150.1175.255.40000111.2D984 S985S982-D984 PolarHBondContact O-N 3.17Å; S982-D984 VanDerWaalsContact O-N 3.12Å; S982-S985 VanDerWaalsContact O-CB 3.29Å; S982-S985 WeakPolarHBondContact O-CB 3.4Å; S982-S985 PolarHBondContact O-N 2.84Å; S982-S985 PolarHBondContact O-OG 3.13Å
983A64.4Low83.3Confident81 Ų8161 Ų6167%0.66933%0.334SS*.THydrogen-bonded Turntrans-58.4-28.8179.500000112.5R977R977-A983 PolarHBondContact NH1-O 2.91Å
984D66.5Low83.2Confident153 Ų15361 Ų6182%0.81833%0.333SS*.THydrogen-bonded Turntrans-84.9-0.6178.4-54.6-39.3000113.9S982S982-D984 PolarHBondContact O-N 3.17Å; S982-D984 VanDerWaalsContact O-N 3.12Å
985S73.1Confident83Confident23 Ų2363.7 Ų63.716%0.16135%0.351CS..SBendtrans-67.1137.7177.973.90000110.9S981 S982S981-S985 WeakPolarHBondContact CB-OG 3.41Å; S982-S985 VanDerWaalsContact O-CB 3.29Å; S982-S985 WeakPolarHBondContact O-CB 3.4Å; S982-S985 PolarHBondContact O-N 2.84Å; S982-S985 PolarHBondContact O-OG 3.13Å
986P79.3Confident82.7Confident40 Ų4069 Ų6926%0.2637%0.374SS..PPolyproline II helixtrans-61.7143.8-179.225.7-34.1000112M759 V804M759-P986 HydrophobicContact CG-CG 4.39Å; V804-P986 HydrophobicContact CG2-CB 4.02Å
987L82.5Confident82.4Confident86 Ų8669.4 Ų69.445%0.4538%0.377SS..PPolyproline II helixtrans-76.7134.2171.3-75.1167000109.8R977R977-L987 HydrophobicContact CB-CD2 4.33Å; R977-L987 HydrophobicContact CG-CD2 4.09Å
988I87.8Confident82.2Confident22 Ų2269.8 Ų69.811%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-98.4139.3-179.8-56.5154.2000108.3N757 E758 S975 W976N757-I988 HydrophobicContact CB-CG2 4.13Å; E758-I988 HydrophobicContact CB-CD1 3.38Å; E758-I988 HydrophobicContact CB-CG1 4.48Å; S975-I988 CarbonylContact C-O 3.47Å; S975-I988 WeakPolarHBondContact CA-O 3.27Å; W976-I988 VanDerWaalsContact CD1-O 3.23Å; W976-I988 HydrophobicContact CD2-CB 4.28Å; W976-I988 HydrophobicContact CE3-CD1 4.36Å; W976-I988 HydrophobicContact CH2-CB 4.49Å; W976-I988 HydrophobicContact CH2-CD1 3.61Å; W976-I988 HydrophobicContact CH2-CG2 4.4Å; W976-I988 HydrophobicContact CZ2-CB 3.96Å; W976-I988 HydrophobicContact CZ2-CD1 3.93Å; W976-I988 HydrophobicContact CZ2-CG2 3.59Å; W976-I988 HydrophobicContact CZ3-CD1 3.86Å; W976-I988 PolarHBondContact N-O 3.35Å; W976-I988 PolarHBondContact O-N 3.35Å
989Q87.8Confident81.9Confident121 Ų12169.8 Ų69.857%0.56538%0.384SS*.EExtended strand (participates in β ladder)trans-108.5132177.3-67.8-172.9-30.200111.3V973 I974V973-Q989 HydrophobicContact CG1-CB 4.46Å; I974-Q989 CarbonylContact O-C 3.56Å; I974-Q989 WeakPolarHBondContact O-CA 3.22Å
990T89.7Confident81.8Confident30 Ų3066.8 Ų66.818%0.18437%0.372CS..EExtended strand (participates in β ladder)trans-116.6118171.6-61.30000108.8F878 I974 W976F878-T990 HydrophobicContact CD2-CG2 4.45Å; I974-T990 PolarHBondContact N-O 3.37Å; I974-T990 PolarHBondContact O-N 3.46Å; W976-T990 PolarHBondContact NE1-OG1 2.83Å
991T89.3Confident81.5Confident74 Ų7463.5 Ų63.545%0.45438%0.375SS..EExtended strand (participates in β ladder)trans-106.3130.4-177.6-57.30000110.6Q971 V973Q971-T991 HydrophobicContact CB-CG2 4.18Å; Q971-T991 HydrophobicContact CG-CG2 4.39Å; V973-T991 HydrophobicContact CG2-CG2 4.06Å
992V89.1Confident81.5Confident35 Ų3562.2 Ų62.221%0.21237%0.365CS..EExtended strand (participates in β ladder)trans-119.9124.3179.2-177.10000109.4V880 Q971 Y972V880-V992 HydrophobicContact CB-CG1 4.25Å; V880-V992 HydrophobicContact CB-CG2 3.99Å; V880-V992 HydrophobicContact CG1-CG1 4.26Å; V880-V992 HydrophobicContact CG1-CG2 4.34Å; V880-V992 HydrophobicContact CG2-CG2 3.84Å; Q971-V992 CarbonylContact C-O 3.55Å; Q971-V992 WeakPolarHBondContact CA-O 3.49Å; Y972-V992 PolarHBondContact N-O 2.83Å; Y972-V992 PolarHBondContact O-N 3.36Å
993T88.4Confident81.7Confident109 Ų10959.9 Ų59.967%0.66935%0.348SS*.EExtended strand (participates in β ladder)trans-75.5131.1176.5-52.30000110.5
994L88.6Confident82.5Confident6 Ų656 Ų563%0.03132%0.316CS..PPolyproline II helixtrans-83.3146.1179.1-59.5171.5000111.4V882 L903 L922 T969 G970V882-L994 HydrophobicContact CG1-CD2 4.08Å; V882-L994 HydrophobicContact CG2-CD2 3.96Å; L903-L994 HydrophobicContact CD2-CD1 4.31Å; L922-L994 HydrophobicContact CD1-CD1 3.54Å; T969-L994 HydrophobicContact CG2-CB 4.09Å; T969-L994 HydrophobicContact CG2-CD1 3.81Å; G970-L994 VanDerWaalsContact O-CB 3.26Å; G970-L994 WeakPolarHBondContact O-CB 3.46Å; G970-L994 WeakPolarHBondContact O-CG 3.2Å; G970-L994 PolarHBondContact O-N 3.37Å
995P87.5Confident83.3Confident57 Ų5751.5 Ų51.537%0.3729%0.288SS..PPolyproline II helixtrans-64.9155177.924.7-32.4000112.8V882 F884 T969V882-P995 HydrophobicContact CB-CG 4.39Å; V882-P995 HydrophobicContact CG1-CG 4.11Å; F884-P995 HydrophobicContact CE2-CB 4.27Å; F884-P995 HydrophobicContact CE2-CG 3.61Å; F884-P995 HydrophobicContact CZ-CG 3.93Å; T969-P995 VanDerWaalsContact CB-O 3.3Å; T969-P995 WeakPolarHBondContact CB-O 3.35Å; T969-P995 PolarHBondContact OG1-O 2.9Å
996H84.4Confident83.8Confident125 Ų12550.4 Ų50.458%0.57928%0.28SS*.PPolyproline II helixtrans-74.4148.3172.3-72.2-103.1000111.5V967 A968V967-H996 CarbonylContact O-C 3.55Å; V967-H996 VanDerWaalsContact O-CA 3.3Å; V967-H996 WeakPolarHBondContact O-CA 3.2Å; V967-H996 PolarHBondContact O-ND1 3.24Å; A968-H996 WeakPolarHBondContact CA-ND1 3.41Å; A968-H996 PolarHBondContact N-ND1 2.94Å
997V83.8Confident84.1Confident8 Ų851.9 Ų51.95%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-109140.8179.7178.80000110.4F884 V895 T966 V967 T969F884-V997 HydrophobicContact CD1-CG2 4.2Å; F884-V997 HydrophobicContact CD2-CG2 4.22Å; F884-V997 HydrophobicContact CE1-CG2 3.59Å; F884-V997 HydrophobicContact CE2-CG2 3.63Å; F884-V997 HydrophobicContact CG-CG2 4.47Å; F884-V997 HydrophobicContact CZ-CG2 3.29Å; V895-V997 HydrophobicContact CB-CG1 3.64Å; V895-V997 HydrophobicContact CG2-CG1 3.41Å; V895-V997 VanDerWaalsContact CG2-CG1 3.41Å; T966-V997 CarbonylContact C-O 3.53Å; T966-V997 VanDerWaalsContact CA-O 3.26Å; T966-V997 WeakPolarHBondContact CA-O 3.36Å; V967-V997 PolarHBondContact N-O 3.27Å; V967-V997 PolarHBondContact O-N 3.08Å; T969-V997 WeakPolarHBondContact OG1-CG2 3.31Å
998I84.8Confident84.3Confident71 Ų7148.6 Ų48.636%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-93.1133.3176.1-54.2173000109.7Q894 V895 N965 T966Q894-I998 WeakPolarHBondContact CA-O 3.43Å; Q894-I998 HydrophobicContact CG-CB 4.13Å; Q894-I998 HydrophobicContact CG-CG2 3.96Å; V895-I998 PolarHBondContact N-O 3.49Å; N965-I998 CarbonylContact O-C 3.53Å; N965-I998 WeakPolarHBondContact O-CA 3.47Å; T966-I998 HydrophobicContact CG2-CG1 3.98Å
999L82.7Confident84.2Confident23 Ų2351.2 Ų51.212%0.1228%0.28CS..EExtended strand (participates in β ladder)trans-94.3139.6-178.7-60.6-177.2000113V895 V897 C957 N965 V967V895-L999 WeakPolarHBondContact O-CA 3.47Å; V897-L999 HydrophobicContact CG2-CB 4.06Å; V897-L999 HydrophobicContact CG2-CD1 4.15Å; V897-L999 HydrophobicContact CG2-CD2 4.31Å; V897-L999 HydrophobicContact CG2-CG 4.41Å; C957-L999 HydrophobicContact CB-CD2 4.07Å; C957-L999 VanDerWaalsContact SG-CD2 3.53Å; N965-L999 PolarHBondContact O-N 2.92Å; V967-L999 HydrophobicContact CG2-CD1 3.42Å; V967-L999 VanDerWaalsContact CG2-CD1 3.42Å; V967-L999 HydrophobicContact CG2-CD2 3.71Å; V967-L999 HydrophobicContact CG2-CG 3.44Å; V967-L999 VanDerWaalsContact CG2-CG 3.44Å
1000E80.2Confident84.1Confident37 Ų3748 Ų4817%0.17327%0.267CS..EExtended strand (participates in β ladder)trans-117.5127.9172.3-169.4-173.4163.800111.3Q894 V895 A896 V897 R1100Q894-E1000 HydrophobicContact CB-CB 4.42Å; V895-E1000 PolarHBondContact O-N 3.34Å; A896-E1000 WeakPolarHBondContact CA-O 3.49Å; V897-E1000 PolarHBondContact N-O 3.49Å; V897-E1000 VanDerWaalsContact N-O 3.1Å; E1000-R1100 IonicContact OE1-CZ 2.73Å; E1000-R1100 IonicContact OE1-NH1 3.52Å; E1000-R1100 IonicContact OE1-NH2 3.74Å; E1000-R1100 PolarHBondContact OE1-NH2 3.42Å; E1000-R1100 IonicContact OE2-CZ 3.94Å; E1000-R1100 IonicContact OE2-NH1 3.26Å; E1000-R1100 PolarHBondContact OE2-NH1 3.31Å; E1000-R1100 IonicContact OE2-NH2 2.89Å; E1000-R1100 PolarHBondContact OE2-NH2 3.25Å
1001S73.9Confident83.9Confident108 Ų10849 Ų4976%0.75527%0.274SS*.  trans-90.6121.4175.6176.30000110.8
1002V75.9Confident83.6Confident20 Ų2050.7 Ų50.712%0.12129%0.289CS..  trans-109.7107.4-176.9179.30000109.6A896 L1004 L1098 F1101A896-V1002 HydrophobicContact CB-CG2 3.96Å; V1002-L1004 WeakPolarHBondContact CG1-O 3.21Å; V1002-L1098 HydrophobicContact CG1-CD2 4.11Å; V1002-F1101 HydrophobicContact CG1-CE2 3.87Å; V1002-F1101 HydrophobicContact CG1-CZ 4.31Å; V1002-F1101 HydrophobicContact CG2-CE2 4.29Å; V1002-F1101 HydrophobicContact CG2-CZ 4.09Å
1003P76.8Confident83.5Confident29 Ų2952.4 Ų52.419%0.18829%0.294CS..SBendtrans-72.6-31.6-17327.3-34000113.5R1029 T1030 L1087P1003-R1029 PolarHBondContact O-N 3.37Å; P1003-R1029 VanDerWaalsContact O-N 3.16Å; P1003-T1030 HydrophobicContact CB-CG2 3.71Å; P1003-T1030 WeakPolarHBondContact O-CG2 3.38Å; P1003-L1087 HydrophobicContact CG-CD1 4.49Å
1004L80.1Confident83.4Confident0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-124.2129.3172.4-72.7171.8000109.3V1002 I1006 I1026 E1027 N1028 M1034 V1036 L1087 L1098V1002-L1004 WeakPolarHBondContact CG1-O 3.21Å; L1004-I1006 HydrophobicContact CB-CD1 4.43Å; L1004-I1006 HydrophobicContact CB-CG1 4.48Å; L1004-I1026 HydrophobicContact CD1-CG2 4.33Å; L1004-I1026 HydrophobicContact CD2-CG2 4.04Å; L1004-E1027 WeakPolarHBondContact CA-O 3.42Å; L1004-N1028 HydrophobicContact CD2-CB 3.96Å; L1004-M1034 HydrophobicContact CD2-CB 4.37Å; L1004-V1036 HydrophobicContact CD1-CG2 3.91Å; L1004-L1087 HydrophobicContact CD1-CD1 3.84Å; L1004-L1087 HydrophobicContact CD1-CD2 3.25Å; L1004-L1087 HydrophobicContact CD1-CG 4.1Å; L1004-L1087 HydrophobicContact CG-CD1 4.45Å; L1004-L1087 HydrophobicContact CG-CD2 4.46Å; L1004-L1098 HydrophobicContact CB-CD2 4.42Å; L1004-L1098 WeakPolarHBondContact O-CD2 3.49Å
1005Y83.6Confident83.4Confident57 Ų5752.7 Ų52.722%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-98.9130169.5-178.7-112000109.6I899 Y1007 E1027 R1029 F1101I899-Y1005 HydrophobicContact CD1-CD2 4.08Å; I899-Y1005 HydrophobicContact CD1-CE2 4Å; Y1005-Y1007 AromaticContact CD1-CD1 3.85Å; Y1005-Y1007 HydrophobicContact CD1-CD1 3.85Å; Y1005-Y1007 HydrophobicContact CD1-CE1 4.38Å; Y1005-Y1007 AromaticContact CE1-CD1 3.5Å; Y1005-Y1007 HydrophobicContact CE1-CD1 3.5Å; Y1005-Y1007 VanDerWaalsContact CE1-CD1 3.5Å; Y1005-Y1007 HydrophobicContact CE1-CE1 4.17Å; Y1005-Y1007 HydrophobicContact CE1-CG 4.25Å; Y1005-E1027 PolarHBondContact N-O 3.4Å; Y1005-E1027 PolarHBondContact O-N 3.22Å; Y1005-R1029 VanDerWaalsContact CG-CZ 3.44Å; Y1005-F1101 HydrophobicContact CD2-CD1 4.44Å; Y1005-F1101 HydrophobicContact CD2-CG 4.45Å; Y1005-F1101 AromaticContact CE2-CD1 3.94Å; Y1005-F1101 HydrophobicContact CE2-CD1 3.94Å; Y1005-F1101 HydrophobicContact CE2-CE1 4.27Å; Y1005-F1101 HydrophobicContact CE2-CG 4.22Å
1006I84.5Confident83.5Confident0 Ų050.7 Ų50.70%027%0.269CS..EExtended strand (participates in β ladder)trans-130.2127.1-173.9-59.2153.5000108.2L1004 H1025 I1026 I1085 L1098 F1101 L1102L1004-I1006 HydrophobicContact CB-CD1 4.43Å; L1004-I1006 HydrophobicContact CB-CG1 4.48Å; I1006-H1025 WeakPolarHBondContact CA-O 3.4Å; I1006-I1026 HydrophobicContact CG1-CB 4.49Å; I1006-I1026 HydrophobicContact CG1-CG1 4.29Å; I1006-I1026 HydrophobicContact CG1-CG2 4.15Å; I1006-I1026 HydrophobicContact CG2-CG1 4.4Å; I1006-I1085 HydrophobicContact CD1-CD1 3.42Å; I1006-I1085 VanDerWaalsContact CD1-CD1 3.42Å; I1006-I1085 HydrophobicContact CD1-CG2 4.43Å; I1006-I1085 HydrophobicContact CG1-CD1 4.26Å; I1006-I1085 HydrophobicContact CG2-CD1 4.23Å; I1006-L1098 HydrophobicContact CD1-CB 3.93Å; I1006-L1098 HydrophobicContact CD1-CD1 3.96Å; I1006-L1098 HydrophobicContact CD1-CD2 4.24Å; I1006-L1098 HydrophobicContact CD1-CG 4.26Å; I1006-F1101 WeakPolarHBondContact O-CB 3.12Å; I1006-L1102 HydrophobicContact CG2-CD1 4.13Å; I1006-L1102 HydrophobicContact CG2-CD2 3.71Å; I1006-L1102 HydrophobicContact CG2-CG 4.07Å
1007Y84.9Confident83.7Confident72 Ų7251.7 Ų51.728%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-137.6161.117266.3-83000109.8Y1005 H1025 E1063Y1005-Y1007 AromaticContact CD1-CD1 3.85Å; Y1005-Y1007 HydrophobicContact CD1-CD1 3.85Å; Y1005-Y1007 HydrophobicContact CD1-CE1 4.38Å; Y1005-Y1007 AromaticContact CE1-CD1 3.5Å; Y1005-Y1007 HydrophobicContact CE1-CD1 3.5Å; Y1005-Y1007 VanDerWaalsContact CE1-CD1 3.5Å; Y1005-Y1007 HydrophobicContact CE1-CE1 4.17Å; Y1005-Y1007 HydrophobicContact CE1-CG 4.25Å; Y1007-H1025 HydrophobicContact CD1-CB 4.01Å; Y1007-H1025 HydrophobicContact CD2-CB 4.3Å; Y1007-H1025 AromaticContact CD2-CD2 3.71Å; Y1007-H1025 HydrophobicContact CE1-CB 3.59Å; Y1007-H1025 HydrophobicContact CE2-CB 3.9Å; Y1007-H1025 AromaticContact CE2-CD2 3.18Å; Y1007-H1025 WeakPolarHBondContact CE2-CD2 3.34Å; Y1007-H1025 AromaticContact CE2-CG 3.71Å; Y1007-H1025 AromaticContact CE2-NE2 3.88Å; Y1007-H1025 HydrophobicContact CG-CB 4.35Å; Y1007-H1025 AromaticContact CZ-CD2 3.63Å; Y1007-H1025 AromaticContact CZ-CG 3.65Å; Y1007-H1025 PolarHBondContact N-O 3.35Å; Y1007-H1025 PolarHBondContact O-N 3.38Å; Y1007-E1063 PolarHBondContact OH-OE2 2.77Å
1008A86.3Confident83.9Confident17 Ų1755.8 Ų55.814%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-122.7133.5-178.600000110.5L1010 V1022 R1023 Y1024 L1102 P1103A1008-L1010 HydrophobicContact CB-CD2 4.2Å; A1008-V1022 HydrophobicContact CB-CG1 4.43Å; A1008-R1023 WeakPolarHBondContact CA-O 3.42Å; A1008-Y1024 HydrophobicContact CB-CD1 3.63Å; A1008-Y1024 HydrophobicContact CB-CE1 3.61Å; A1008-L1102 HydrophobicContact CB-CD2 3.9Å; A1008-P1103 HydrophobicContact CB-CG 4.15Å
1009D86.9Confident84.1Confident76 Ų7656.2 Ų56.241%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-89.6112.9162.6-65.4-16.1000107.9R1023 H1025D1009-R1023 HydrophobicContact CB-CB 4.39Å; D1009-R1023 PolarHBondContact N-O 3.48Å; D1009-R1023 PolarHBondContact O-N 3.15Å; D1009-R1023 VanDerWaalsContact O-N 3.08Å; D1009-H1025 VanDerWaalsContact CG-NE2 3.25Å; D1009-H1025 IonicContact OD1-CD2 3.48Å; D1009-H1025 IonicContact OD1-NE2 2.71Å; D1009-H1025 IonicContact OD2-CD2 3.24Å; D1009-H1025 IonicContact OD2-CE1 3.91Å; D1009-H1025 IonicContact OD2-NE2 3.6Å; D1009-H1025 PolarHBondContact OD2-NE2 3.43Å
1010L85.3Confident84.4Confident55 Ų5555.4 Ų55.429%0.28829%0.292SS..  trans-125.6148.3173.659.2149.9000110.2A1008 V1022 L1080 P1103 I1106A1008-L1010 HydrophobicContact CB-CD2 4.2Å; L1010-V1022 HydrophobicContact CB-CG2 4.34Å; L1010-L1080 HydrophobicContact CD1-CD1 4.37Å; L1010-P1103 HydrophobicContact CD1-CB 4.47Å; L1010-P1103 HydrophobicContact CD1-CG 4.29Å; L1010-P1103 HydrophobicContact CD2-CB 4.1Å; L1010-P1103 HydrophobicContact CD2-CG 3.24Å; L1010-P1103 HydrophobicContact CG-CG 4.41Å; L1010-I1106 HydrophobicContact CD1-CB 4.47Å; L1010-I1106 HydrophobicContact CD1-CD1 3.88Å; L1010-I1106 HydrophobicContact CD1-CG1 4.17Å
1011P85.7Confident84.9Confident51 Ų5156.6 Ų56.633%0.33130%0.302SS..  trans-57.5154.5165.6-24.536.2000111.3F1013 L1020 P1021 I1106P1011-F1013 PolarHBondContact O-N 3.47Å; P1011-L1020 HydrophobicContact CB-CD1 4.04Å; P1011-L1020 HydrophobicContact CG-CD1 3.71Å; P1011-P1021 WeakPolarHBondContact CD-O 3.38Å; P1011-I1106 WeakPolarHBondContact O-CD1 3.1Å
1012S82.9Confident85.6Confident109 Ų10951.4 Ų51.476%0.76227%0.266SS*.SBendtrans-65.2-18.4179.754.60000114
1013F85.4Confident86.3Confident71 Ų7155.4 Ų55.431%0.31128%0.279SS..  trans-158.3161173.263.8-91.1000112.2P1011 R1015 F1107 K1109P1011-F1013 PolarHBondContact O-N 3.47Å; F1013-R1015 HydrophobicContact CE2-CG 4.39Å; F1013-F1107 CarbonylContact C-O 3.57Å; F1013-F1107 VanDerWaalsContact CA-O 3.31Å; F1013-F1107 WeakPolarHBondContact CA-O 3.3Å; F1013-F1107 WeakPolarHBondContact CB-O 3.42Å; F1013-K1109 HydrophobicContact CD2-CD 3.64Å; F1013-K1109 HydrophobicContact CD2-CG 4.21Å; F1013-K1109 HydrophobicContact CE2-CD 3.83Å; F1013-K1109 HydrophobicContact CG-CD 4.27Å; F1013-K1109 VanDerWaalsContact CZ-NZ 3.32Å
1014G86.6Confident87Confident3 Ų354.2 Ų54.23%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-109.4172.9169.800000113.8F1107 V1108 K1109G1014-F1107 PolarHBondContact N-O 3.34Å; G1014-V1108 CarbonylContact O-C 3.59Å; G1014-V1108 WeakPolarHBondContact O-CA 3.41Å; G1014-K1109 PolarHBondContact O-N 2.95Å
1015R89.9Confident87.4Confident118 Ų11854.6 Ų54.645%0.44527%0.273SS..EExtended strand (participates in β ladder)trans-132.8140.8173.9-75.7177.5179.7175.93.8111.2F1013 R1017 E1018 P1072 K1109F1013-R1015 HydrophobicContact CE2-CG 4.39Å; R1015-R1017 PolarHBondContact O-N 3.26Å; R1015-E1018 HydrophobicContact CB-CB 4.21Å; R1015-E1018 HydrophobicContact CB-CG 4.28Å; R1015-E1018 VanDerWaalsContact CD-OE2 3.31Å; R1015-E1018 WeakPolarHBondContact CD-OE2 3.42Å; R1015-E1018 IonicContact NH1-OE1 3.64Å; R1015-E1018 PolarHBondContact O-N 3.23Å; R1015-P1072 WeakPolarHBondContact O-CG 3.44Å; R1015-K1109 WeakPolarHBondContact CA-O 3.08Å; R1015-K1109 HydrophobicContact CG-CB 4.14Å
1016V89.8Confident87.6Confident14 Ų1451.9 Ų51.99%0.08526%0.262CS..THydrogen-bonded Turntrans-61.3128.8-179.61730000110.4E1018 P1072 M1074 A1075 V1108 K1109 Q1111V1016-E1018 VanDerWaalsContact C-N 3.34Å; V1016-P1072 WeakPolarHBondContact CA-O 3.37Å; V1016-M1074 VanDerWaalsContact CG2-C 3.44Å; V1016-A1075 HydrophobicContact CG2-CB 3.87Å; V1016-V1108 HydrophobicContact CG2-CG1 3.89Å; V1016-K1109 WeakPolarHBondContact CG2-O 3.45Å; V1016-K1109 PolarHBondContact N-O 2.89Å; V1016-Q1111 HydrophobicContact CB-CB 4.3Å; V1016-Q1111 HydrophobicContact CG1-CB 4.41Å
1017R87Confident87.8Confident147 Ų14754.6 Ų54.656%0.55528%0.275SS*.THydrogen-bonded Turntrans63.628.3-178.6-61.4178-164.1165-7.5115.2R1015 Y1071 P1072R1015-R1017 PolarHBondContact O-N 3.26Å; R1017-Y1071 WeakPolarHBondContact CA-OH 3.35Å; R1017-Y1071 HydrophobicContact CB-CE1 4.01Å; R1017-Y1071 WeakPolarHBondContact CB-OH 3.49Å; R1017-Y1071 HydrophobicContact CG-CE1 4.07Å; R1017-Y1071 WeakPolarHBondContact O-CE2 3.43Å; R1017-Y1071 VanDerWaalsContact O-CZ 3.24Å; R1017-Y1071 PolarHBondContact O-OH 3.34Å; R1017-P1072 PolarHBondContact N-O 3.01Å
1018E89.7Confident87.8Confident94 Ų9451.2 Ų51.244%0.43926%0.262SS..SBendtrans-120.2154168.3-70.6-178.9-165.100111R1015 V1016 P1072R1015-E1018 HydrophobicContact CB-CB 4.21Å; R1015-E1018 HydrophobicContact CB-CG 4.28Å; R1015-E1018 VanDerWaalsContact CD-OE2 3.31Å; R1015-E1018 WeakPolarHBondContact CD-OE2 3.42Å; R1015-E1018 IonicContact NH1-OE1 3.64Å; R1015-E1018 PolarHBondContact O-N 3.23Å; V1016-E1018 VanDerWaalsContact C-N 3.34Å; E1018-P1072 WeakPolarHBondContact O-CD 3.45Å
1019S87.8Confident87.5Confident79 Ų7954.6 Ų54.655%0.55227%0.271SS*.  trans-72.6128.8178.2-171.10000111.5
1020L89.2Confident87.1Confident7 Ų752.7 Ų52.74%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-115.996.3177.3-178.976.6000109.3P1011 V1022 F1046 Y1070 P1072 L1080 I1106P1011-L1020 HydrophobicContact CB-CD1 4.04Å; P1011-L1020 HydrophobicContact CG-CD1 3.71Å; L1020-V1022 HydrophobicContact CD2-CG2 4.39Å; L1020-V1022 HydrophobicContact CG-CG2 4.36Å; L1020-V1022 PolarHBondContact O-N 3.32Å; L1020-F1046 HydrophobicContact CD2-CE1 4.15Å; L1020-Y1070 WeakPolarHBondContact CA-O 3.26Å; L1020-Y1070 PolarHBondContact N-O 2.96Å; L1020-Y1070 PolarHBondContact O-N 3.36Å; L1020-P1072 HydrophobicContact CB-CG 4.43Å; L1020-L1080 HydrophobicContact CD2-CD2 4.38Å; L1020-I1106 HydrophobicContact CD1-CD1 4.34Å; L1020-I1106 HydrophobicContact CD2-CD1 4.03Å
1021P90.8Very high86.8Confident61 Ų6154.8 Ų54.840%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-73.3127.7176.729.2-32.6000110.4P1011 L1067 N1069P1011-P1021 WeakPolarHBondContact CD-O 3.38Å; P1021-L1067 HydrophobicContact CB-CD1 4.24Å; P1021-N1069 WeakPolarHBondContact CA-OD1 3.42Å; P1021-N1069 WeakPolarHBondContact CB-OD1 3.2Å
1022V89.3Confident86.7Confident0 Ų059.4 Ų59.40%030%0.304CS..EExtended strand (participates in β ladder)trans-121.8126.8172.7179.60000108.9A1008 L1010 L1020 Y1024 Y1068 Y1070A1008-V1022 HydrophobicContact CB-CG1 4.43Å; L1010-V1022 HydrophobicContact CB-CG2 4.34Å; L1020-V1022 HydrophobicContact CD2-CG2 4.39Å; L1020-V1022 HydrophobicContact CG-CG2 4.36Å; L1020-V1022 PolarHBondContact O-N 3.32Å; V1022-Y1024 HydrophobicContact CB-CE2 4.38Å; V1022-Y1024 HydrophobicContact CG1-CD2 4.15Å; V1022-Y1024 HydrophobicContact CG1-CE1 4.27Å; V1022-Y1024 HydrophobicContact CG1-CE2 3.62Å; V1022-Y1068 PolarHBondContact N-O 3.33Å; V1022-Y1068 PolarHBondContact O-N 3.04Å; V1022-Y1070 HydrophobicContact CB-CD2 3.98Å; V1022-Y1070 HydrophobicContact CB-CE2 3.92Å; V1022-Y1070 HydrophobicContact CG1-CE2 4.41Å; V1022-Y1070 HydrophobicContact CG2-CD2 3.55Å; V1022-Y1070 HydrophobicContact CG2-CE2 3.92Å
1023R91Very high86.7Confident103 Ų10357.5 Ų57.539%0.38929%0.288SS..EExtended strand (participates in β ladder)trans-107.7118.3177.8-172.8179.4-67.8117.7-1109.4A1008 D1009 H1025 M1066 L1067A1008-R1023 WeakPolarHBondContact CA-O 3.42Å; D1009-R1023 HydrophobicContact CB-CB 4.39Å; D1009-R1023 PolarHBondContact N-O 3.48Å; D1009-R1023 PolarHBondContact O-N 3.15Å; D1009-R1023 VanDerWaalsContact O-N 3.08Å; R1023-H1025 VanDerWaalsContact CD-CE1 3.44Å; R1023-H1025 WeakPolarHBondContact CD-CE1 3.43Å; R1023-M1066 WeakPolarHBondContact CA-O 3.35Å; R1023-L1067 HydrophobicContact CB-CD1 4.32Å
1024Y89.9Confident86.7Confident5 Ų555.1 Ų55.12%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-95.5131.8172.7-67.1-79000109.8A1008 V1022 Q1065 M1066 Y1068 Y1070 L1083 L1102A1008-Y1024 HydrophobicContact CB-CD1 3.63Å; A1008-Y1024 HydrophobicContact CB-CE1 3.61Å; V1022-Y1024 HydrophobicContact CB-CE2 4.38Å; V1022-Y1024 HydrophobicContact CG1-CD2 4.15Å; V1022-Y1024 HydrophobicContact CG1-CE1 4.27Å; V1022-Y1024 HydrophobicContact CG1-CE2 3.62Å; Y1024-Q1065 WeakPolarHBondContact O-CA 3.47Å; Y1024-M1066 PolarHBondContact N-O 3.13Å; Y1024-M1066 PolarHBondContact O-N 3.48Å; Y1024-Y1068 AromaticContact CD2-CD2 3.91Å; Y1024-Y1068 HydrophobicContact CD2-CD2 3.91Å; Y1024-Y1068 HydrophobicContact CD2-CE2 4.42Å; Y1024-Y1068 HydrophobicContact CE2-CD2 4.23Å; Y1024-Y1070 HydrophobicContact CE2-CE2 4.34Å; Y1024-L1083 HydrophobicContact CD1-CD2 3.72Å; Y1024-L1083 HydrophobicContact CD2-CD2 3.93Å; Y1024-L1083 HydrophobicContact CE1-CD2 4.03Å; Y1024-L1083 HydrophobicContact CE2-CD2 4.23Å; Y1024-L1083 HydrophobicContact CG-CD2 3.66Å; Y1024-L1102 HydrophobicContact CD1-CD1 4.42Å; Y1024-L1102 HydrophobicContact CD1-CD2 3.77Å; Y1024-L1102 HydrophobicContact CE1-CD1 4.18Å; Y1024-L1102 HydrophobicContact CE1-CD2 3.81Å
1025H88.4Confident86.7Confident7 Ų755.7 Ų55.73%0.03228%0.28CS..EExtended strand (participates in β ladder)trans-110.3123.1177.8-58.5-78.9000108.6I1006 Y1007 D1009 R1023 E1063 Q1065I1006-H1025 WeakPolarHBondContact CA-O 3.4Å; Y1007-H1025 HydrophobicContact CD1-CB 4.01Å; Y1007-H1025 HydrophobicContact CD2-CB 4.3Å; Y1007-H1025 AromaticContact CD2-CD2 3.71Å; Y1007-H1025 HydrophobicContact CE1-CB 3.59Å; Y1007-H1025 HydrophobicContact CE2-CB 3.9Å; Y1007-H1025 AromaticContact CE2-CD2 3.18Å; Y1007-H1025 WeakPolarHBondContact CE2-CD2 3.34Å; Y1007-H1025 AromaticContact CE2-CG 3.71Å; Y1007-H1025 AromaticContact CE2-NE2 3.88Å; Y1007-H1025 HydrophobicContact CG-CB 4.35Å; Y1007-H1025 AromaticContact CZ-CD2 3.63Å; Y1007-H1025 AromaticContact CZ-CG 3.65Å; Y1007-H1025 PolarHBondContact N-O 3.35Å; Y1007-H1025 PolarHBondContact O-N 3.38Å; D1009-H1025 VanDerWaalsContact CG-NE2 3.25Å; D1009-H1025 IonicContact OD1-CD2 3.48Å; D1009-H1025 IonicContact OD1-NE2 2.71Å; D1009-H1025 IonicContact OD2-CD2 3.24Å; D1009-H1025 IonicContact OD2-CE1 3.91Å; D1009-H1025 IonicContact OD2-NE2 3.6Å; D1009-H1025 PolarHBondContact OD2-NE2 3.43Å; R1023-H1025 VanDerWaalsContact CD-CE1 3.44Å; R1023-H1025 WeakPolarHBondContact CD-CE1 3.43Å; H1025-E1063 HydrophobicContact CB-CG 4.18Å; H1025-E1063 IonicContact CE1-OE1 3.08Å; H1025-E1063 IonicContact CG-OE1 3.87Å; H1025-E1063 IonicContact ND1-OE1 3.43Å; H1025-E1063 PolarHBondContact ND1-OE1 2.97Å; H1025-Q1065 PolarHBondContact CE1-NE2 2.98Å; H1025-Q1065 VanDerWaalsContact CE1-NE2 3.26Å; H1025-Q1065 WeakPolarHBondContact ND1-CG 3.47Å; H1025-Q1065 PolarHBondContact ND1-NE2 3.34Å; H1025-Q1065 VanDerWaalsContact ND1-NE2 3.17Å
1026I89.1Confident86.4Confident0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-119102.5-176.9-54.8175.7000107.6L1004 I1006 I1038 V1058 E1063 Q1064 M1066 I1085L1004-I1026 HydrophobicContact CD1-CG2 4.33Å; L1004-I1026 HydrophobicContact CD2-CG2 4.04Å; I1006-I1026 HydrophobicContact CG1-CB 4.49Å; I1006-I1026 HydrophobicContact CG1-CG1 4.29Å; I1006-I1026 HydrophobicContact CG1-CG2 4.15Å; I1006-I1026 HydrophobicContact CG2-CG1 4.4Å; I1026-I1038 HydrophobicContact CD1-CD1 3.37Å; I1026-V1058 HydrophobicContact CG2-CG2 4.42Å; I1026-E1063 WeakPolarHBondContact O-CA 3.43Å; I1026-Q1064 PolarHBondContact N-O 2.89Å; I1026-Q1064 PolarHBondContact O-N 3.39Å; I1026-M1066 HydrophobicContact CD1-SD 4.45Å; I1026-I1085 HydrophobicContact CD1-CD1 4.39Å
1027E87Confident86.3Confident58 Ų5852.1 Ų52.127%0.27127%0.267SS..EExtended strand (participates in β ladder)trans-96.3121.8-177.8-174.4-169.7-166.900110.3L1004 Y1005 R1029L1004-E1027 WeakPolarHBondContact CA-O 3.42Å; Y1005-E1027 PolarHBondContact N-O 3.4Å; Y1005-E1027 PolarHBondContact O-N 3.22Å; E1027-R1029 HydrophobicContact CG-CG 4.23Å; E1027-R1029 PolarHBondContact O-N 3.46Å; E1027-R1029 IonicContact OE2-CZ 2.88Å; E1027-R1029 IonicContact OE2-NE 2.73Å; E1027-R1029 PolarHBondContact OE2-NE 3.22Å; E1027-R1029 IonicContact OE2-NH2 3.64Å; E1027-R1029 PolarHBondContact OE2-NH2 3.15Å
1028N86.3Confident86.3Confident0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-83.4105.5173-177.66000111.1L1004 T1030 Q1032 M1034 V1058 L1059 G1061 T1062L1004-N1028 HydrophobicContact CD2-CB 3.96Å; N1028-T1030 VanDerWaalsContact C-N 3.3Å; N1028-T1030 WeakPolarHBondContact OD1-CB 3.44Å; N1028-T1030 PolarHBondContact OD1-N 2.95Å; N1028-T1030 PolarHBondContact OD1-OG1 3.42Å; N1028-Q1032 PolarHBondContact ND2-O 3.47Å; N1028-M1034 WeakPolarHBondContact ND2-CG 3.4Å; N1028-M1034 PolarHBondContact ND2-N 3.08Å; N1028-M1034 VanDerWaalsContact OD1-CG 3.3Å; N1028-M1034 WeakPolarHBondContact OD1-CG 3.23Å; N1028-V1058 HydrophobicContact CB-CB 4.14Å; N1028-V1058 HydrophobicContact CB-CG1 3.66Å; N1028-V1058 PolarHBondContact ND2-O 3.41Å; N1028-L1059 WeakPolarHBondContact CB-O 3.5Å; N1028-L1059 PolarHBondContact ND2-O 3.29Å; N1028-G1061 WeakPolarHBondContact O-CA 3.14Å; N1028-G1061 PolarHBondContact O-N 3.38Å; N1028-T1062 PolarHBondContact N-O 3.38Å
1029R79.3Confident86.2Confident88 Ų8842 Ų4233%0.33223%0.231SC..  trans-89.65.5179.1-63.1-169172.2-176.7-0113.6P1003 Y1005 E1027P1003-R1029 PolarHBondContact O-N 3.37Å; P1003-R1029 VanDerWaalsContact O-N 3.16Å; Y1005-R1029 VanDerWaalsContact CG-CZ 3.44Å; E1027-R1029 HydrophobicContact CG-CG 4.23Å; E1027-R1029 PolarHBondContact O-N 3.46Å; E1027-R1029 IonicContact OE2-CZ 2.88Å; E1027-R1029 IonicContact OE2-NE 2.73Å; E1027-R1029 PolarHBondContact OE2-NE 3.22Å; E1027-R1029 IonicContact OE2-NH2 3.64Å; E1027-R1029 PolarHBondContact OE2-NH2 3.15Å
1030T78.8Confident86.2Confident37 Ų3738.4 Ų38.423%0.22721%0.206CC..SBendtrans-96.4157.4176.476.70000111.5P1003 N1028 Q1032 M1034 P1060P1003-T1030 HydrophobicContact CB-CG2 3.71Å; P1003-T1030 WeakPolarHBondContact O-CG2 3.38Å; N1028-T1030 VanDerWaalsContact C-N 3.3Å; N1028-T1030 WeakPolarHBondContact OD1-CB 3.44Å; N1028-T1030 PolarHBondContact OD1-N 2.95Å; N1028-T1030 PolarHBondContact OD1-OG1 3.42Å; T1030-Q1032 PolarHBondContact O-N 3.42Å; T1030-Q1032 PolarHBondContact OG1-N 3.08Å; T1030-Q1032 PolarHBondContact OG1-O 2.86Å; T1030-M1034 HydrophobicContact CG2-CG 4.45Å; T1030-M1034 HydrophobicContact CG2-SD 4.38Å; T1030-M1034 WeakPolarHBondContact OG1-CG 3.49Å; T1030-P1060 WeakPolarHBondContact O-CA 3.41Å; T1030-P1060 WeakPolarHBondContact O-CB 3.41Å
1031A79.9Confident86.1Confident99 Ų9940.8 Ų40.882%0.81822%0.219SC*.SBendtrans-75.71.8172.500000113.6P1060A1031-P1060 WeakPolarHBondContact O-CG 3.23Å
1032Q82Confident85.5Confident147 Ų14742.9 Ų42.969%0.68723%0.233SC*.SBendtrans-117.2152.3-176.1-62.6-175.26.700111.6N1028 T1030 M1034N1028-Q1032 PolarHBondContact ND2-O 3.47Å; T1030-Q1032 PolarHBondContact O-N 3.42Å; T1030-Q1032 PolarHBondContact OG1-N 3.08Å; T1030-Q1032 PolarHBondContact OG1-O 2.86Å; Q1032-M1034 PolarHBondContact O-N 3.48Å
1033V84.2Confident85.3Confident70 Ų7044.3 Ų44.342%0.42424%0.242SC..PPolyproline II helixtrans-67.7121175179.80000108.6R1057 L1059 P1060V1033-R1057 HydrophobicContact CG1-CB 3.97Å; V1033-L1059 HydrophobicContact CG1-CD2 4.24Å; V1033-L1059 HydrophobicContact CG2-CD2 3.89Å; V1033-P1060 HydrophobicContact CG2-CG 4.34Å
1034M84.8Confident85Confident20 Ų2046.7 Ų46.710%0.09926%0.263CS..EExtended strand (participates in β ladder)trans-95.4125.5-178.3-70.3-62.7-74.300110.5L1004 N1028 T1030 Q1032 V1036 R1057 V1058 L1087 C1090L1004-M1034 HydrophobicContact CD2-CB 4.37Å; N1028-M1034 WeakPolarHBondContact ND2-CG 3.4Å; N1028-M1034 PolarHBondContact ND2-N 3.08Å; N1028-M1034 VanDerWaalsContact OD1-CG 3.3Å; N1028-M1034 WeakPolarHBondContact OD1-CG 3.23Å; T1030-M1034 HydrophobicContact CG2-CG 4.45Å; T1030-M1034 HydrophobicContact CG2-SD 4.38Å; T1030-M1034 WeakPolarHBondContact OG1-CG 3.49Å; Q1032-M1034 PolarHBondContact O-N 3.48Å; M1034-V1036 HydrophobicContact CB-CG2 4.43Å; M1034-R1057 CarbonylContact O-C 3.56Å; M1034-R1057 WeakPolarHBondContact O-CA 3.37Å; M1034-V1058 PolarHBondContact N-O 3.42Å; M1034-V1058 PolarHBondContact O-N 3.11Å; M1034-L1087 HydrophobicContact CE-CD1 3.81Å; M1034-L1087 HydrophobicContact CE-CD2 4.24Å; M1034-L1087 HydrophobicContact CE-CG 4.42Å; M1034-C1090 HydrophobicContact CE-CB 4.45Å
1035E86.1Confident84.9Confident16 Ų1646.9 Ų46.98%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-89.5122.9171.9-167.2162.4-156.600108.7R1055 R1057 P1088 R1089E1035-R1055 VanDerWaalsContact CD-NE 3.31Å; E1035-R1055 HydrophobicContact CG-CG 4.35Å; E1035-R1055 IonicContact OE1-CZ 3.3Å; E1035-R1055 VanDerWaalsContact OE1-CZ 3.23Å; E1035-R1055 IonicContact OE1-NE 3.45Å; E1035-R1055 PolarHBondContact OE1-NE 2.93Å; E1035-R1055 IonicContact OE1-NH2 3.17Å; E1035-R1055 PolarHBondContact OE1-NH2 3.27Å; E1035-R1055 IonicContact OE2-NH2 2.87Å; E1035-R1055 PolarHBondContact OE2-NH2 2.96Å; E1035-R1055 VanDerWaalsContact OE2-NH2 3.1Å; E1035-R1057 HydrophobicContact CB-CG 4.49Å; E1035-R1057 HydrophobicContact CG-CG 4.28Å; E1035-R1057 IonicContact OE1-NE 3.73Å; E1035-P1088 WeakPolarHBondContact O-CD 3.35Å; E1035-R1089 HydrophobicContact CB-CG 4.44Å; E1035-R1089 IonicContact OE2-CZ 3.42Å; E1035-R1089 VanDerWaalsContact OE2-CZ 3.32Å; E1035-R1089 IonicContact OE2-NE 2.72Å; E1035-R1089 PolarHBondContact OE2-NE 3.18Å; E1035-R1089 IonicContact OE2-NH2 3.29Å; E1035-R1089 PolarHBondContact OE2-NH2 3.09Å
1036V85Confident85Confident0 Ų046.8 Ų46.80%027%0.265CS..EExtended strand (participates in β ladder)trans-123.5123.9-171.6-167.90000108.9L1004 M1034 I1038 R1055 L1056 V1058 I1085 L1087L1004-V1036 HydrophobicContact CD1-CG2 3.91Å; M1034-V1036 HydrophobicContact CB-CG2 4.43Å; V1036-I1038 HydrophobicContact CG1-CD1 3.99Å; V1036-I1038 HydrophobicContact CG1-CG1 3.71Å; V1036-R1055 WeakPolarHBondContact O-CA 3.47Å; V1036-L1056 HydrophobicContact CB-CD1 4.21Å; V1036-L1056 PolarHBondContact N-O 3.42Å; V1036-L1056 PolarHBondContact O-N 2.9Å; V1036-V1058 HydrophobicContact CG2-CG2 3.92Å; V1036-I1085 HydrophobicContact CG1-CG2 3.47Å; V1036-I1085 VanDerWaalsContact CG1-CG2 3.47Å; V1036-L1087 HydrophobicContact CB-CD2 4.23Å; V1036-L1087 HydrophobicContact CG1-CD2 4.05Å; V1036-L1087 HydrophobicContact CG2-CD2 3.81Å
1037E87.6Confident85Confident56 Ų5651.9 Ų51.926%0.26229%0.29SS..EExtended strand (participates in β ladder)trans-102.3128.6169.7-81.1179.3-174.300108.7R1055 I1085 S1086 P1088E1037-R1055 HydrophobicContact CG-CB 3.95Å; E1037-R1055 HydrophobicContact CG-CG 3.66Å; E1037-R1055 WeakPolarHBondContact OE1-CD 3.42Å; E1037-R1055 IonicContact OE1-CZ 3.64Å; E1037-R1055 IonicContact OE1-NE 3.7Å; E1037-R1055 IonicContact OE1-NH1 2.82Å; E1037-R1055 PolarHBondContact OE1-NH1 2.81Å; E1037-I1085 WeakPolarHBondContact O-CA 3.48Å; E1037-S1086 WeakPolarHBondContact CB-OG 3.49Å; E1037-S1086 PolarHBondContact N-O 2.71Å; E1037-S1086 PolarHBondContact O-N 3.16Å; E1037-S1086 PolarHBondContact O-OG 3.14Å; E1037-P1088 HydrophobicContact CB-CG 4.24Å; E1037-P1088 VanDerWaalsContact CD-CG 3.48Å; E1037-P1088 HydrophobicContact CG-CG 3.7Å
1038I86.6Confident85.1Confident1 Ų151.7 Ų51.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-127.1127.3-173.9-55.8174.6000107.6I1026 V1036 Q1053 V1054 L1056 M1066 L1083 N1084 I1085I1026-I1038 HydrophobicContact CD1-CD1 3.37Å; V1036-I1038 HydrophobicContact CG1-CD1 3.99Å; V1036-I1038 HydrophobicContact CG1-CG1 3.71Å; I1038-Q1053 CarbonylContact O-C 3.58Å; I1038-Q1053 VanDerWaalsContact O-CA 3.27Å; I1038-Q1053 WeakPolarHBondContact O-CA 3.43Å; I1038-V1054 HydrophobicContact CB-CG1 3.97Å; I1038-V1054 PolarHBondContact N-O 2.94Å; I1038-V1054 PolarHBondContact O-N 2.72Å; I1038-L1056 HydrophobicContact CD1-CD2 4.06Å; I1038-L1056 HydrophobicContact CD1-CG 4.48Å; I1038-M1066 HydrophobicContact CD1-SD 3.29Å; I1038-M1066 WeakPolarHBondContact CD1-SD 3.44Å; I1038-M1066 HydrophobicContact CG1-SD 4.49Å; I1038-M1066 HydrophobicContact CG2-SD 4.35Å; I1038-L1083 HydrophobicContact CG2-CD1 3.39Å; I1038-L1083 HydrophobicContact CG2-CG 3.95Å; I1038-N1084 CarbonylContact C-O 3.59Å; I1038-N1084 WeakPolarHBondContact CA-O 3.48Å; I1038-I1085 HydrophobicContact CG1-CG1 4.3Å; I1038-I1085 HydrophobicContact CG2-CG1 4.47Å
1039A87.6Confident85.1Confident28 Ų2855.8 Ų55.823%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-129.9136.5174.500000109.8K1052 Q1053 N1084A1039-K1052 CarbonylContact C-O 3.6Å; A1039-K1052 WeakPolarHBondContact CA-O 3.42Å; A1039-Q1053 HydrophobicContact CB-CG 4.29Å; A1039-N1084 HydrophobicContact CB-CB 4.43Å; A1039-N1084 PolarHBondContact N-O 3.13Å; A1039-N1084 WeakPolarHBondContact O-CA 3.48Å; A1039-N1084 WeakPolarHBondContact O-CB 3.24Å; A1039-N1084 PolarHBondContact O-N 3.29Å
1040V87.8Confident85.4Confident4 Ų453.5 Ų53.52%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-101.3121.6173-179.20000109F1048 K1052 Y1068 P1081 Q1082 L1083V1040-F1048 HydrophobicContact CB-CE1 4.21Å; V1040-F1048 HydrophobicContact CB-CE2 4.11Å; V1040-F1048 HydrophobicContact CB-CZ 3.71Å; V1040-F1048 HydrophobicContact CG1-CD1 4.18Å; V1040-F1048 HydrophobicContact CG1-CE1 3.72Å; V1040-F1048 HydrophobicContact CG1-CE2 4.17Å; V1040-F1048 HydrophobicContact CG1-CZ 3.71Å; V1040-K1052 PolarHBondContact N-O 2.87Å; V1040-Y1068 HydrophobicContact CG2-CD1 4.11Å; V1040-Y1068 HydrophobicContact CG2-CE1 3.47Å; V1040-Y1068 VanDerWaalsContact CG2-CE1 3.47Å; V1040-Y1068 HydrophobicContact CG2-CE2 4.45Å; V1040-P1081 HydrophobicContact CG1-CB 3.81Å; V1040-Q1082 WeakPolarHBondContact CA-O 3.41Å; V1040-L1083 HydrophobicContact CG2-CD1 3.6Å
1041D85.9Confident85.8Confident57 Ų5756.7 Ų56.731%0.30534%0.336SS..PPolyproline II helixtrans-73.3144.5177.5-71-16.2000111Q1082 N1084D1041-Q1082 HydrophobicContact CB-CB 4.32Å; D1041-Q1082 PolarHBondContact N-O 3.34Å; D1041-N1084 PolarHBondContact OD1-ND2 3.5Å; D1041-N1084 PolarHBondContact OD2-ND2 3.03Å
1042P79.1Confident86Confident105 Ų10558.1 Ų58.168%0.68232%0.324SS*.PPolyproline II helixtrans-63144.1174.627.6-32.9000110.6
1043S84.5Confident86.4Confident30 Ų3058.3 Ų58.321%0.2132%0.324CS..BIsolated β-bridgetrans-129.9128.6178.5163.40000109.7A1045 F1046S1043-A1045 PolarHBondContact O-N 3.37Å; S1043-A1045 PolarHBondContact OG-N 3.49Å; S1043-F1046 PolarHBondContact O-N 3.22Å; S1043-F1046 PolarHBondContact OG-N 2.97Å
1044D85.9Confident86.6Confident153 Ų15356.4 Ų56.482%0.81831%0.313SS*.THydrogen-bonded Turntrans-65.1-25.7177.3-59.9-26.7000112
1045A87.6Confident86.8Confident8 Ų861.8 Ų61.87%0.06633%0.332CS..THydrogen-bonded Turntrans-86-11.3-178.900000114.2S1043 L1073 M1074 Q1078S1043-A1045 PolarHBondContact O-N 3.37Å; S1043-A1045 PolarHBondContact OG-N 3.49Å; A1045-L1073 PolarHBondContact O-N 2.92Å; A1045-M1074 HydrophobicContact CB-CB 4.36Å; A1045-M1074 HydrophobicContact CB-CG 4.45Å; A1045-M1074 HydrophobicContact CB-SD 4.11Å; A1045-Q1078 HydrophobicContact CB-CB 4.28Å; A1045-Q1078 HydrophobicContact CB-CG 4.3Å
1046F90.9Very high87Confident5 Ų562.5 Ų62.52%0.02234%0.336CS..EExtended strand (participates in β ladder)trans-145.9128.9-174.3-67.5-95.4000111.5L1020 S1043 Y1071 P1072 Q1078 T1079 L1080 P1081 I1106 V1108L1020-F1046 HydrophobicContact CD2-CE1 4.15Å; S1043-F1046 PolarHBondContact O-N 3.22Å; S1043-F1046 PolarHBondContact OG-N 2.97Å; F1046-Y1071 WeakPolarHBondContact CA-O 3.49Å; F1046-P1072 HydrophobicContact CD1-CB 3.82Å; F1046-P1072 HydrophobicContact CD1-CG 3.93Å; F1046-P1072 HydrophobicContact CE1-CB 3.61Å; F1046-P1072 HydrophobicContact CE1-CG 3.62Å; F1046-P1072 HydrophobicContact CZ-CB 4.36Å; F1046-Q1078 HydrophobicContact CE2-CB 3.64Å; F1046-Q1078 HydrophobicContact CZ-CB 4Å; F1046-T1079 VanDerWaalsContact CE2-O 3.29Å; F1046-T1079 WeakPolarHBondContact CE2-O 3.07Å; F1046-L1080 HydrophobicContact CE1-CD2 4.44Å; F1046-L1080 HydrophobicContact CZ-CD2 4.15Å; F1046-P1081 HydrophobicContact CB-CG 3.72Å; F1046-P1081 HydrophobicContact CD2-CG 4.24Å; F1046-P1081 HydrophobicContact CG-CG 4.1Å; F1046-I1106 HydrophobicContact CZ-CG2 3.97Å; F1046-V1108 HydrophobicContact CE1-CG2 4.26Å; F1046-V1108 HydrophobicContact CZ-CG2 3.78Å
1047M88.9Confident87.1Confident107 Ų10770.1 Ų70.153%0.52737%0.365SS..EExtended strand (participates in β ladder)trans-82.1158.5156.1-59.2-169.1-65.600109Y1070 Y1071 L1073M1047-Y1070 CarbonylContact O-C 3.45Å; M1047-Y1071 HydrophobicContact CE-CD1 3.61Å; M1047-Y1071 HydrophobicContact CE-CE1 3.94Å; M1047-Y1071 PolarHBondContact N-O 3.22Å; M1047-Y1071 PolarHBondContact O-N 3.25Å; M1047-L1073 HydrophobicContact CE-CD2 3.95Å; M1047-L1073 HydrophobicContact CG-CD1 3.9Å; M1047-L1073 HydrophobicContact CG-CD2 4.12Å; M1047-L1073 HydrophobicContact CG-CG 4.26Å
1048F88.9Confident87.2Confident55 Ų5567.5 Ų67.524%0.24135%0.353CS..EExtended strand (participates in β ladder)trans-144.7151.4177.278.8-94.2000113.1V1040 K1052 Y1068 N1069 Y1070V1040-F1048 HydrophobicContact CB-CE1 4.21Å; V1040-F1048 HydrophobicContact CB-CE2 4.11Å; V1040-F1048 HydrophobicContact CB-CZ 3.71Å; V1040-F1048 HydrophobicContact CG1-CD1 4.18Å; V1040-F1048 HydrophobicContact CG1-CE1 3.72Å; V1040-F1048 HydrophobicContact CG1-CE2 4.17Å; V1040-F1048 HydrophobicContact CG1-CZ 3.71Å; F1048-K1052 HydrophobicContact CE2-CB 4.22Å; F1048-K1052 HydrophobicContact CZ-CB 3.94Å; F1048-K1052 HydrophobicContact CZ-CD 4.46Å; F1048-K1052 HydrophobicContact CZ-CG 3.98Å; F1048-Y1068 HydrophobicContact CD2-CD1 4.03Å; F1048-Y1068 HydrophobicContact CD2-CE1 4.45Å; F1048-Y1068 HydrophobicContact CE2-CD1 4.28Å; F1048-Y1068 HydrophobicContact CE2-CE1 4.25Å; F1048-N1069 WeakPolarHBondContact CA-O 3.4Å; F1048-Y1070 HydrophobicContact CB-CD1 3.3Å; F1048-Y1070 HydrophobicContact CB-CE1 3.53Å; F1048-Y1070 HydrophobicContact CG-CD1 4.28Å; F1048-Y1070 HydrophobicContact CG-CE1 4.03Å
1049S85.6Confident87.3Confident85 Ų8572.3 Ų72.359%0.59438%0.378SS*.EExtended strand (participates in β ladder)trans-118.5124169.8-174.70000109.2N1069S1049-N1069 PolarHBondContact N-O 3.09Å; S1049-N1069 PolarHBondContact O-N 3Å
1050G85.6Confident87.2Confident40 Ų4073.5 Ų73.541%0.41238%0.383SS..SBendtrans159.6178.5-175.600000111.3K1052G1050-K1052 PolarHBondContact O-N 3.3Å
1051L86.6Confident86.8Confident104 Ų10476.3 Ų76.355%0.54541%0.413SS..  trans-71.1103.5177.6-63.4174.8000109.7Q1053 V1054 Y1068L1051-Q1053 VanDerWaalsContact C-N 3.26Å; L1051-Q1053 PolarHBondContact O-N 3.4Å; L1051-V1054 HydrophobicContact CB-CB 4.12Å; L1051-V1054 HydrophobicContact CB-CG1 4.4Å; L1051-V1054 HydrophobicContact CD1-CB 3.96Å; L1051-V1054 HydrophobicContact CD1-CG1 4.37Å; L1051-V1054 HydrophobicContact CD1-CG2 3.82Å; L1051-Y1068 VanDerWaalsContact O-CE1 3.26Å; L1051-Y1068 WeakPolarHBondContact O-CE1 3.42Å; L1051-Y1068 PolarHBondContact O-OH 3.12Å
1052K85.6Confident86.9Confident130 Ų13076.4 Ų76.457%0.56542%0.416SS*.SBendtrans-59.5-38179.2177.8170.2-177.1-1780112.5A1039 V1040 F1048 G1050A1039-K1052 CarbonylContact C-O 3.6Å; A1039-K1052 WeakPolarHBondContact CA-O 3.42Å; V1040-K1052 PolarHBondContact N-O 2.87Å; F1048-K1052 HydrophobicContact CE2-CB 4.22Å; F1048-K1052 HydrophobicContact CZ-CB 3.94Å; F1048-K1052 HydrophobicContact CZ-CD 4.46Å; F1048-K1052 HydrophobicContact CZ-CG 3.98Å; G1050-K1052 PolarHBondContact O-N 3.3Å
1053Q88.7Confident87.3Confident151 Ų15175 Ų7571%0.70640%0.4SS*.EExtended strand (participates in β ladder)trans-141.8129.2172.1-168.1173.8-0.400109.2I1038 A1039 L1051I1038-Q1053 CarbonylContact O-C 3.58Å; I1038-Q1053 VanDerWaalsContact O-CA 3.27Å; I1038-Q1053 WeakPolarHBondContact O-CA 3.43Å; A1039-Q1053 HydrophobicContact CB-CG 4.29Å; L1051-Q1053 VanDerWaalsContact C-N 3.26Å; L1051-Q1053 PolarHBondContact O-N 3.4Å
1054V89.6Confident87.5Confident30 Ų3077.4 Ų77.418%0.18241%0.408CS..EExtended strand (participates in β ladder)trans-141.5145.9177.665.90000110.7I1038 L1051 L1056 M1066I1038-V1054 HydrophobicContact CB-CG1 3.97Å; I1038-V1054 PolarHBondContact N-O 2.94Å; I1038-V1054 PolarHBondContact O-N 2.72Å; L1051-V1054 HydrophobicContact CB-CB 4.12Å; L1051-V1054 HydrophobicContact CB-CG1 4.4Å; L1051-V1054 HydrophobicContact CD1-CB 3.96Å; L1051-V1054 HydrophobicContact CD1-CG1 4.37Å; L1051-V1054 HydrophobicContact CD1-CG2 3.82Å; V1054-L1056 HydrophobicContact CG1-CD2 4.14Å; V1054-L1056 HydrophobicContact CG2-CD2 4.5Å; V1054-M1066 HydrophobicContact CG1-CE 3.48Å; V1054-M1066 VanDerWaalsContact CG1-CE 3.48Å; V1054-M1066 HydrophobicContact CG1-SD 4.23Å
1055R88.9Confident87.7Confident132 Ų13274.8 Ų74.850%0.49839%0.391SS..EExtended strand (participates in β ladder)trans-115.9123.5168-174.8171.2176.1156.5-7.9108.5E1035 V1036 E1037E1035-R1055 VanDerWaalsContact CD-NE 3.31Å; E1035-R1055 HydrophobicContact CG-CG 4.35Å; E1035-R1055 IonicContact OE1-CZ 3.3Å; E1035-R1055 VanDerWaalsContact OE1-CZ 3.23Å; E1035-R1055 IonicContact OE1-NE 3.45Å; E1035-R1055 PolarHBondContact OE1-NE 2.93Å; E1035-R1055 IonicContact OE1-NH2 3.17Å; E1035-R1055 PolarHBondContact OE1-NH2 3.27Å; E1035-R1055 IonicContact OE2-NH2 2.87Å; E1035-R1055 PolarHBondContact OE2-NH2 2.96Å; E1035-R1055 VanDerWaalsContact OE2-NH2 3.1Å; V1036-R1055 WeakPolarHBondContact O-CA 3.47Å; E1037-R1055 HydrophobicContact CG-CB 3.95Å; E1037-R1055 HydrophobicContact CG-CG 3.66Å; E1037-R1055 WeakPolarHBondContact OE1-CD 3.42Å; E1037-R1055 IonicContact OE1-CZ 3.64Å; E1037-R1055 IonicContact OE1-NE 3.7Å; E1037-R1055 IonicContact OE1-NH1 2.82Å; E1037-R1055 PolarHBondContact OE1-NH1 2.81Å
1056L89.7Confident87.7Confident32 Ų3275.2 Ų75.217%0.16839%0.392CS..EExtended strand (participates in β ladder)trans-138166.4-17762.983.7000111.3V1036 I1038 V1054 V1058 Q1064 M1066V1036-L1056 HydrophobicContact CB-CD1 4.21Å; V1036-L1056 PolarHBondContact N-O 3.42Å; V1036-L1056 PolarHBondContact O-N 2.9Å; I1038-L1056 HydrophobicContact CD1-CD2 4.06Å; I1038-L1056 HydrophobicContact CD1-CG 4.48Å; V1054-L1056 HydrophobicContact CG1-CD2 4.14Å; V1054-L1056 HydrophobicContact CG2-CD2 4.5Å; L1056-V1058 HydrophobicContact CD1-CG2 3.48Å; L1056-V1058 VanDerWaalsContact CD1-CG2 3.48Å; L1056-Q1064 HydrophobicContact CD1-CG 4.04Å; L1056-Q1064 HydrophobicContact CD2-CG 4.31Å; L1056-M1066 HydrophobicContact CD2-SD 3.95Å
1057R88.2Confident87.7Confident160 Ų16079.4 Ų79.460%0.60441%0.414SS*.EExtended strand (participates in β ladder)trans-119.2125.4178-65.9179-174.31683.1109.3V1033 M1034 E1035V1033-R1057 HydrophobicContact CG1-CB 3.97Å; M1034-R1057 CarbonylContact O-C 3.56Å; M1034-R1057 WeakPolarHBondContact O-CA 3.37Å; E1035-R1057 HydrophobicContact CB-CG 4.49Å; E1035-R1057 HydrophobicContact CG-CG 4.28Å; E1035-R1057 IonicContact OE1-NE 3.73Å
1058V88.2Confident87.7Confident1 Ų174.3 Ų74.31%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-102.9122.5176.7-168.90000108.7I1026 N1028 M1034 V1036 L1056 T1062 Q1064I1026-V1058 HydrophobicContact CG2-CG2 4.42Å; N1028-V1058 HydrophobicContact CB-CB 4.14Å; N1028-V1058 HydrophobicContact CB-CG1 3.66Å; N1028-V1058 PolarHBondContact ND2-O 3.41Å; M1034-V1058 PolarHBondContact N-O 3.42Å; M1034-V1058 PolarHBondContact O-N 3.11Å; V1036-V1058 HydrophobicContact CG2-CG2 3.92Å; L1056-V1058 HydrophobicContact CD1-CG2 3.48Å; L1056-V1058 VanDerWaalsContact CD1-CG2 3.48Å; V1058-T1062 WeakPolarHBondContact CG1-O 3.49Å; V1058-Q1064 HydrophobicContact CG1-CB 4.11Å; V1058-Q1064 HydrophobicContact CG2-CB 3.8Å
1059L89.1Confident87.7Confident102 Ų10274.6 Ų74.653%0.53439%0.393SS..PPolyproline II helixtrans-71.4153.8-177.4-59.1174.9000111N1028 V1033 G1061 T1062N1028-L1059 WeakPolarHBondContact CB-O 3.5Å; N1028-L1059 PolarHBondContact ND2-O 3.29Å; V1033-L1059 HydrophobicContact CG1-CD2 4.24Å; V1033-L1059 HydrophobicContact CG2-CD2 3.89Å; L1059-G1061 PolarHBondContact O-N 3.49Å; L1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; L1059-T1062 HydrophobicContact CB-CG2 3.93Å; L1059-T1062 WeakPolarHBondContact CB-OG1 3.37Å; L1059-T1062 PolarHBondContact N-OG1 3.01Å; L1059-T1062 PolarHBondContact O-N 3.11Å; L1059-T1062 VanDerWaalsContact O-N 3.14Å; L1059-T1062 PolarHBondContact O-OG1 3.19Å
1060P85.1Confident88Confident53 Ų5370.5 Ų70.534%0.34436%0.364SS..THydrogen-bonded Turntrans-51131.7177.6-23.929.1000112.7T1030 A1031 V1033 T1062T1030-P1060 WeakPolarHBondContact O-CA 3.41Å; T1030-P1060 WeakPolarHBondContact O-CB 3.41Å; A1031-P1060 WeakPolarHBondContact O-CG 3.23Å; V1033-P1060 HydrophobicContact CG2-CG 4.34Å; P1060-T1062 PolarHBondContact O-N 3.47Å; P1060-T1062 VanDerWaalsContact O-N 3.1Å
1061G80.6Confident88.3Confident63 Ų6372.6 Ų72.665%0.64936%0.36SS*.THydrogen-bonded Turntrans66.36.8177.500000115.2N1028 L1059N1028-G1061 WeakPolarHBondContact O-CA 3.14Å; N1028-G1061 PolarHBondContact O-N 3.38Å; L1059-G1061 PolarHBondContact O-N 3.49Å
1062T88Confident88.4Confident58 Ų5867.7 Ų67.736%0.35634%0.335SS..  trans-104.2159179.168.10000111.4N1028 V1058 L1059 P1060N1028-T1062 PolarHBondContact N-O 3.38Å; V1058-T1062 WeakPolarHBondContact CG1-O 3.49Å; L1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; L1059-T1062 HydrophobicContact CB-CG2 3.93Å; L1059-T1062 WeakPolarHBondContact CB-OG1 3.37Å; L1059-T1062 PolarHBondContact N-OG1 3.01Å; L1059-T1062 PolarHBondContact O-N 3.11Å; L1059-T1062 VanDerWaalsContact O-N 3.14Å; L1059-T1062 PolarHBondContact O-OG1 3.19Å; P1060-T1062 PolarHBondContact O-N 3.47Å; P1060-T1062 VanDerWaalsContact O-N 3.1Å
1063E86.3Confident88.6Confident75 Ų7564.9 Ų64.935%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-109.7132.4176.8-172.4-164.9116.200110Y1007 H1025 I1026 Q1065Y1007-E1063 PolarHBondContact OH-OE2 2.77Å; H1025-E1063 HydrophobicContact CB-CG 4.18Å; H1025-E1063 IonicContact CE1-OE1 3.08Å; H1025-E1063 IonicContact CG-OE1 3.87Å; H1025-E1063 IonicContact ND1-OE1 3.43Å; H1025-E1063 PolarHBondContact ND1-OE1 2.97Å; I1026-E1063 WeakPolarHBondContact O-CA 3.43Å; E1063-Q1065 WeakPolarHBondContact OE1-CG 3.44Å; E1063-Q1065 PolarHBondContact OE1-NE2 3.37Å
1064Q89.9Confident88.7Confident82 Ų8262.2 Ų62.238%0.38331%0.314SS..EExtended strand (participates in β ladder)trans-107.8129.2171.2-176.363.149.600110.2I1026 L1056 V1058I1026-Q1064 PolarHBondContact N-O 2.89Å; I1026-Q1064 PolarHBondContact O-N 3.39Å; L1056-Q1064 HydrophobicContact CD1-CG 4.04Å; L1056-Q1064 HydrophobicContact CD2-CG 4.31Å; V1058-Q1064 HydrophobicContact CG1-CB 4.11Å; V1058-Q1064 HydrophobicContact CG2-CB 3.8Å
1065Q90.1Very high88.6Confident97 Ų9762.8 Ų62.845%0.45332%0.322SS..EExtended strand (participates in β ladder)trans-101.9141.7179.7-60.2-171.9-9.500112Y1024 H1025 E1063Y1024-Q1065 WeakPolarHBondContact O-CA 3.47Å; H1025-Q1065 PolarHBondContact CE1-NE2 2.98Å; H1025-Q1065 VanDerWaalsContact CE1-NE2 3.26Å; H1025-Q1065 WeakPolarHBondContact ND1-CG 3.47Å; H1025-Q1065 PolarHBondContact ND1-NE2 3.34Å; H1025-Q1065 VanDerWaalsContact ND1-NE2 3.17Å; E1063-Q1065 WeakPolarHBondContact OE1-CG 3.44Å; E1063-Q1065 PolarHBondContact OE1-NE2 3.37Å
1066M87.9Confident88.6Confident17 Ų1757.6 Ų57.68%0.08431%0.309CS..EExtended strand (participates in β ladder)trans-131.7125.6174.5-64.9-164.372.400111R1023 Y1024 I1026 I1038 V1054 L1056 Y1068R1023-M1066 WeakPolarHBondContact CA-O 3.35Å; Y1024-M1066 PolarHBondContact N-O 3.13Å; Y1024-M1066 PolarHBondContact O-N 3.48Å; I1026-M1066 HydrophobicContact CD1-SD 4.45Å; I1038-M1066 HydrophobicContact CD1-SD 3.29Å; I1038-M1066 WeakPolarHBondContact CD1-SD 3.44Å; I1038-M1066 HydrophobicContact CG1-SD 4.49Å; I1038-M1066 HydrophobicContact CG2-SD 4.35Å; V1054-M1066 HydrophobicContact CG1-CE 3.48Å; V1054-M1066 VanDerWaalsContact CG1-CE 3.48Å; V1054-M1066 HydrophobicContact CG1-SD 4.23Å; L1056-M1066 HydrophobicContact CD2-SD 3.95Å; M1066-Y1068 HydrophobicContact CB-CD2 4.38Å; M1066-Y1068 HydrophobicContact CB-CE2 3.91Å; M1066-Y1068 HydrophobicContact CE-CE2 3.81Å; M1066-Y1068 WeakPolarHBondContact CE-OH 3.36Å; M1066-Y1068 HydrophobicContact SD-CE2 4.38Å
1067L89.4Confident88.5Confident94 Ų9464 Ų6449%0.49233%0.332SS..EExtended strand (participates in β ladder)trans-102.8123.6177.9-174.168.9000110.3P1021 R1023P1021-L1067 HydrophobicContact CB-CD1 4.24Å; R1023-L1067 HydrophobicContact CB-CD1 4.32Å
1068Y89.1Confident88.5Confident0 Ų058.1 Ų58.10%031%0.312CS..EExtended strand (participates in β ladder)trans-118.6128.2171.8-72.6-92.5000109.4V1022 Y1024 V1040 F1048 L1051 M1066 L1083V1022-Y1068 PolarHBondContact N-O 3.33Å; V1022-Y1068 PolarHBondContact O-N 3.04Å; Y1024-Y1068 AromaticContact CD2-CD2 3.91Å; Y1024-Y1068 HydrophobicContact CD2-CD2 3.91Å; Y1024-Y1068 HydrophobicContact CD2-CE2 4.42Å; Y1024-Y1068 HydrophobicContact CE2-CD2 4.23Å; V1040-Y1068 HydrophobicContact CG2-CD1 4.11Å; V1040-Y1068 HydrophobicContact CG2-CE1 3.47Å; V1040-Y1068 VanDerWaalsContact CG2-CE1 3.47Å; V1040-Y1068 HydrophobicContact CG2-CE2 4.45Å; F1048-Y1068 HydrophobicContact CD2-CD1 4.03Å; F1048-Y1068 HydrophobicContact CD2-CE1 4.45Å; F1048-Y1068 HydrophobicContact CE2-CD1 4.28Å; F1048-Y1068 HydrophobicContact CE2-CE1 4.25Å; L1051-Y1068 VanDerWaalsContact O-CE1 3.26Å; L1051-Y1068 WeakPolarHBondContact O-CE1 3.42Å; L1051-Y1068 PolarHBondContact O-OH 3.12Å; M1066-Y1068 HydrophobicContact CB-CD2 4.38Å; M1066-Y1068 HydrophobicContact CB-CE2 3.91Å; M1066-Y1068 HydrophobicContact CE-CE2 3.81Å; M1066-Y1068 WeakPolarHBondContact CE-OH 3.36Å; M1066-Y1068 HydrophobicContact SD-CE2 4.38Å; Y1068-L1083 HydrophobicContact CE2-CD1 4.23Å
1069N90.2Very high88.5Confident60 Ų6061 Ų6132%0.32133%0.329SS..EExtended strand (participates in β ladder)trans-97.4103.1173.2-73-25.6000108.6P1021 F1048 S1049P1021-N1069 WeakPolarHBondContact CA-OD1 3.42Å; P1021-N1069 WeakPolarHBondContact CB-OD1 3.2Å; F1048-N1069 WeakPolarHBondContact CA-O 3.4Å; S1049-N1069 PolarHBondContact N-O 3.09Å; S1049-N1069 PolarHBondContact O-N 3Å
1070Y91.3Very high88.4Confident0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-83.4148.8175.6-65.6-47.1000111L1020 V1022 Y1024 M1047 F1048 L1080 P1081L1020-Y1070 WeakPolarHBondContact CA-O 3.26Å; L1020-Y1070 PolarHBondContact N-O 2.96Å; L1020-Y1070 PolarHBondContact O-N 3.36Å; V1022-Y1070 HydrophobicContact CB-CD2 3.98Å; V1022-Y1070 HydrophobicContact CB-CE2 3.92Å; V1022-Y1070 HydrophobicContact CG1-CE2 4.41Å; V1022-Y1070 HydrophobicContact CG2-CD2 3.55Å; V1022-Y1070 HydrophobicContact CG2-CE2 3.92Å; Y1024-Y1070 HydrophobicContact CE2-CE2 4.34Å; M1047-Y1070 CarbonylContact O-C 3.45Å; F1048-Y1070 HydrophobicContact CB-CD1 3.3Å; F1048-Y1070 HydrophobicContact CB-CE1 3.53Å; F1048-Y1070 HydrophobicContact CG-CD1 4.28Å; F1048-Y1070 HydrophobicContact CG-CE1 4.03Å; Y1070-L1080 HydrophobicContact CD2-CD2 4.34Å; Y1070-P1081 HydrophobicContact CD1-CB 4.39Å; Y1070-P1081 HydrophobicContact CD1-CG 3.69Å; Y1070-P1081 HydrophobicContact CE1-CB 3.73Å; Y1070-P1081 HydrophobicContact CE1-CG 3.54Å; Y1070-P1081 HydrophobicContact CE2-CG 4.47Å; Y1070-P1081 HydrophobicContact CG-CG 4.29Å
1071Y90.9Very high88.6Confident84 Ų8454 Ų5433%0.32929%0.29SS..EExtended strand (participates in β ladder)trans-130.197.5-179.6-168.6-98.9000108.5R1017 F1046 M1047 L1073R1017-Y1071 WeakPolarHBondContact CA-OH 3.35Å; R1017-Y1071 HydrophobicContact CB-CE1 4.01Å; R1017-Y1071 WeakPolarHBondContact CB-OH 3.49Å; R1017-Y1071 HydrophobicContact CG-CE1 4.07Å; R1017-Y1071 WeakPolarHBondContact O-CE2 3.43Å; R1017-Y1071 VanDerWaalsContact O-CZ 3.24Å; R1017-Y1071 PolarHBondContact O-OH 3.34Å; F1046-Y1071 WeakPolarHBondContact CA-O 3.49Å; M1047-Y1071 HydrophobicContact CE-CD1 3.61Å; M1047-Y1071 HydrophobicContact CE-CE1 3.94Å; M1047-Y1071 PolarHBondContact N-O 3.22Å; M1047-Y1071 PolarHBondContact O-N 3.25Å; Y1071-L1073 HydrophobicContact CD1-CD2 4.01Å; Y1071-L1073 HydrophobicContact CE1-CD2 4.34Å
1072P90.5Very high88.8Confident0 Ų055.6 Ų55.60%028%0.28CS..EExtended strand (participates in β ladder)trans-68.7132.8-172.5-11.325.3000111.4R1015 V1016 R1017 E1018 L1020 F1046 V1108R1015-P1072 WeakPolarHBondContact O-CG 3.44Å; V1016-P1072 WeakPolarHBondContact CA-O 3.37Å; R1017-P1072 PolarHBondContact N-O 3.01Å; E1018-P1072 WeakPolarHBondContact O-CD 3.45Å; L1020-P1072 HydrophobicContact CB-CG 4.43Å; F1046-P1072 HydrophobicContact CD1-CB 3.82Å; F1046-P1072 HydrophobicContact CD1-CG 3.93Å; F1046-P1072 HydrophobicContact CE1-CB 3.61Å; F1046-P1072 HydrophobicContact CE1-CG 3.62Å; F1046-P1072 HydrophobicContact CZ-CB 4.36Å; P1072-V1108 HydrophobicContact CB-CG1 3.54Å; P1072-V1108 HydrophobicContact CB-CG2 4.16Å; P1072-V1108 HydrophobicContact CG-CG1 4.14Å
1073L89.7Confident88.7Confident71 Ų7153.3 Ų53.337%0.37227%0.266SS..  trans-100.8-23.8178.2-57.6-177.1000112.8A1045 M1047 Y1071A1045-L1073 PolarHBondContact O-N 2.92Å; M1047-L1073 HydrophobicContact CE-CD2 3.95Å; M1047-L1073 HydrophobicContact CG-CD1 3.9Å; M1047-L1073 HydrophobicContact CG-CD2 4.12Å; M1047-L1073 HydrophobicContact CG-CG 4.26Å; Y1071-L1073 HydrophobicContact CD1-CD2 4.01Å; Y1071-L1073 HydrophobicContact CE1-CD2 4.34Å
1074M89.6Confident88.6Confident96 Ų9651.3 Ų51.347%0.47326%0.258SS..SBendtrans-124.5144-173.4-60.6178.270.400111.4V1016 A1045 Q1078 V1108V1016-M1074 VanDerWaalsContact CG2-C 3.44Å; A1045-M1074 HydrophobicContact CB-CB 4.36Å; A1045-M1074 HydrophobicContact CB-CG 4.45Å; A1045-M1074 HydrophobicContact CB-SD 4.11Å; M1074-Q1078 HydrophobicContact CB-CG 4.37Å; M1074-V1108 WeakPolarHBondContact O-CB 3.44Å; M1074-V1108 VanDerWaalsContact O-CG1 3.27Å; M1074-V1108 WeakPolarHBondContact O-CG1 3.44Å
1075A87.5Confident88.2Confident41 Ų4147.9 Ų47.934%0.33924%0.242SC..  trans-88.5164.1175.400000112V1016 Q1078 V1108 P1110V1016-A1075 HydrophobicContact CG2-CB 3.87Å; A1075-Q1078 PolarHBondContact O-NE2 3.31Å; A1075-V1108 CarbonylContact C-O 3.57Å; A1075-V1108 WeakPolarHBondContact CA-O 3.47Å; A1075-P1110 HydrophobicContact CB-CB 3.71Å; A1075-P1110 HydrophobicContact CB-CG 4.36Å
1076G88.6Confident87.8Confident23 Ų2345.9 Ų45.924%0.23724%0.239CC..EExtended strand (participates in β ladder)trans99.9-172.3-177.500000113.6Q1078 V1108G1076-Q1078 PolarHBondContact O-N 3.3Å; G1076-Q1078 VanDerWaalsContact O-N 3.09Å; G1076-V1108 PolarHBondContact N-O 3.18Å; G1076-V1108 PolarHBondContact O-N 3.41Å
1077Y87.3Confident87.5Confident166 Ų16645.6 Ų45.665%0.65124%0.237SC*.EExtended strand (participates in β ladder)trans-70.1103.9171-91.6-77.2000109.4R1105 F1107Y1077-R1105 HydrophobicContact CD1-CB 4.46Å; Y1077-F1107 HydrophobicContact CD1-CB 4.12Å; Y1077-F1107 HydrophobicContact CD1-CD2 4.32Å; Y1077-F1107 AromaticContact CD2-CD2 3.42Å; Y1077-F1107 HydrophobicContact CD2-CD2 3.42Å; Y1077-F1107 VanDerWaalsContact CD2-CD2 3.42Å; Y1077-F1107 HydrophobicContact CD2-CE2 4.03Å; Y1077-F1107 HydrophobicContact CD2-CG 4.41Å; Y1077-F1107 HydrophobicContact CE1-CB 3.87Å; Y1077-F1107 HydrophobicContact CE1-CD2 4.45Å; Y1077-F1107 HydrophobicContact CE2-CB 4.31Å; Y1077-F1107 AromaticContact CE2-CD2 3.55Å; Y1077-F1107 HydrophobicContact CE2-CD2 3.55Å; Y1077-F1107 HydrophobicContact CE2-CE2 4.24Å; Y1077-F1107 HydrophobicContact CE2-CG 4.25Å; Y1077-F1107 HydrophobicContact CG-CB 4.46Å; Y1077-F1107 AromaticContact CG-CD2 3.82Å; Y1077-F1107 HydrophobicContact CG-CD2 3.82Å
1078Q90.2Very high86.7Confident37 Ų3743.6 Ų43.617%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-105.4144.2-178.3-62.8-57.3-25.600110.8A1045 F1046 M1074 A1075 G1076 R1105 I1106 V1108A1045-Q1078 HydrophobicContact CB-CB 4.28Å; A1045-Q1078 HydrophobicContact CB-CG 4.3Å; F1046-Q1078 HydrophobicContact CE2-CB 3.64Å; F1046-Q1078 HydrophobicContact CZ-CB 4Å; M1074-Q1078 HydrophobicContact CB-CG 4.37Å; A1075-Q1078 PolarHBondContact O-NE2 3.31Å; G1076-Q1078 PolarHBondContact O-N 3.3Å; G1076-Q1078 VanDerWaalsContact O-N 3.09Å; Q1078-R1105 WeakPolarHBondContact O-CA 3.32Å; Q1078-I1106 PolarHBondContact N-O 3.38Å; Q1078-I1106 PolarHBondContact O-N 3.44Å; Q1078-V1108 HydrophobicContact CB-CG2 3.98Å; Q1078-V1108 HydrophobicContact CG-CB 4.29Å; Q1078-V1108 HydrophobicContact CG-CG2 4.01Å
1079T88.1Confident85.8Confident61 Ų6151.9 Ų51.937%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-76.6126175.2-51.80000108.2F1046 Q1104F1046-T1079 VanDerWaalsContact CE2-O 3.29Å; F1046-T1079 WeakPolarHBondContact CE2-O 3.07Å; T1079-Q1104 WeakPolarHBondContact CA-O 3.47Å; T1079-Q1104 WeakPolarHBondContact CG2-O 3.44Å
1080L86.6Confident84.6Confident7 Ų751.1 Ų51.14%0.03726%0.26CS..PPolyproline II helixtrans-65.9148.4177.2-76167.9000110L1010 L1020 F1046 Y1070 Q1082 Q1104 I1106L1010-L1080 HydrophobicContact CD1-CD1 4.37Å; L1020-L1080 HydrophobicContact CD2-CD2 4.38Å; F1046-L1080 HydrophobicContact CE1-CD2 4.44Å; F1046-L1080 HydrophobicContact CZ-CD2 4.15Å; Y1070-L1080 HydrophobicContact CD2-CD2 4.34Å; L1080-Q1082 PolarHBondContact O-N 2.92Å; L1080-Q1104 PolarHBondContact N-O 3.22Å; L1080-Q1104 VanDerWaalsContact N-O 3.07Å; L1080-I1106 HydrophobicContact CD1-CB 4.31Å; L1080-I1106 HydrophobicContact CD1-CG2 4.45Å; L1080-I1106 HydrophobicContact CD2-CB 4.31Å; L1080-I1106 HydrophobicContact CD2-CG2 3.61Å; L1080-I1106 HydrophobicContact CG-CB 4.23Å; L1080-I1106 HydrophobicContact CG-CG2 3.86Å
1081P88.5Confident82.9Confident3 Ų356.7 Ų56.72%0.01930%0.296CS..PPolyproline II helixtrans-52.3127.6173.2-2837.8000110.8V1040 F1046 Y1070 L1083V1040-P1081 HydrophobicContact CG1-CB 3.81Å; F1046-P1081 HydrophobicContact CB-CG 3.72Å; F1046-P1081 HydrophobicContact CD2-CG 4.24Å; F1046-P1081 HydrophobicContact CG-CG 4.1Å; Y1070-P1081 HydrophobicContact CD1-CB 4.39Å; Y1070-P1081 HydrophobicContact CD1-CG 3.69Å; Y1070-P1081 HydrophobicContact CE1-CB 3.73Å; Y1070-P1081 HydrophobicContact CE1-CG 3.54Å; Y1070-P1081 HydrophobicContact CE2-CG 4.47Å; Y1070-P1081 HydrophobicContact CG-CG 4.29Å; P1081-L1083 PolarHBondContact O-N 2.92Å
1082Q85.4Confident81.1Confident95 Ų9558.6 Ų58.644%0.44432%0.317SS..PPolyproline II helixtrans-74124.7-171.4-67.8-170.61.900110.6V1040 D1041 L1080V1040-Q1082 WeakPolarHBondContact CA-O 3.41Å; D1041-Q1082 HydrophobicContact CB-CB 4.32Å; D1041-Q1082 PolarHBondContact N-O 3.34Å; L1080-Q1082 PolarHBondContact O-N 2.92Å
1083L84.7Confident79.5Confident10 Ų1060.1 Ų60.15%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-89.2105.1173.6-166.872.7000109Y1024 I1038 V1040 Y1068 P1081 I1085 L1102Y1024-L1083 HydrophobicContact CD1-CD2 3.72Å; Y1024-L1083 HydrophobicContact CD2-CD2 3.93Å; Y1024-L1083 HydrophobicContact CE1-CD2 4.03Å; Y1024-L1083 HydrophobicContact CE2-CD2 4.23Å; Y1024-L1083 HydrophobicContact CG-CD2 3.66Å; I1038-L1083 HydrophobicContact CG2-CD1 3.39Å; I1038-L1083 HydrophobicContact CG2-CG 3.95Å; V1040-L1083 HydrophobicContact CG2-CD1 3.6Å; Y1068-L1083 HydrophobicContact CE2-CD1 4.23Å; P1081-L1083 PolarHBondContact O-N 2.92Å; L1083-I1085 HydrophobicContact CD2-CD1 3.79Å; L1083-I1085 HydrophobicContact CD2-CG1 4.23Å; L1083-I1085 HydrophobicContact CG-CD1 4.2Å; L1083-I1085 HydrophobicContact CG-CG1 4.1Å; L1083-L1102 HydrophobicContact CB-CD1 4.46Å; L1083-L1102 HydrophobicContact CD2-CD1 4.44Å
1084N84.6Confident78Confident33 Ų3362.2 Ų62.218%0.17634%0.339CS..EExtended strand (participates in β ladder)trans-89.2115.9176.2-72.3-27.1000110I1038 A1039 D1041 R1099I1038-N1084 CarbonylContact C-O 3.59Å; I1038-N1084 WeakPolarHBondContact CA-O 3.48Å; A1039-N1084 HydrophobicContact CB-CB 4.43Å; A1039-N1084 PolarHBondContact N-O 3.13Å; A1039-N1084 WeakPolarHBondContact O-CA 3.48Å; A1039-N1084 WeakPolarHBondContact O-CB 3.24Å; A1039-N1084 PolarHBondContact O-N 3.29Å; D1041-N1084 PolarHBondContact OD1-ND2 3.5Å; D1041-N1084 PolarHBondContact OD2-ND2 3.03Å; N1084-R1099 PolarHBondContact OD1-NH2 3.29Å
1085I82.6Confident76.6Confident10 Ų1059.5 Ų59.55%0.05133%0.33CS..EExtended strand (participates in β ladder)trans-113.5116.3-179.6-59.5172.6000107.8I1006 I1026 V1036 E1037 I1038 L1083I1006-I1085 HydrophobicContact CD1-CD1 3.42Å; I1006-I1085 VanDerWaalsContact CD1-CD1 3.42Å; I1006-I1085 HydrophobicContact CD1-CG2 4.43Å; I1006-I1085 HydrophobicContact CG1-CD1 4.26Å; I1006-I1085 HydrophobicContact CG2-CD1 4.23Å; I1026-I1085 HydrophobicContact CD1-CD1 4.39Å; V1036-I1085 HydrophobicContact CG1-CG2 3.47Å; V1036-I1085 VanDerWaalsContact CG1-CG2 3.47Å; E1037-I1085 WeakPolarHBondContact O-CA 3.48Å; I1038-I1085 HydrophobicContact CG1-CG1 4.3Å; I1038-I1085 HydrophobicContact CG2-CG1 4.47Å; L1083-I1085 HydrophobicContact CD2-CD1 3.79Å; L1083-I1085 HydrophobicContact CD2-CG1 4.23Å; L1083-I1085 HydrophobicContact CG-CD1 4.2Å; L1083-I1085 HydrophobicContact CG-CG1 4.1Å
1086S81Confident75.4Confident55 Ų5561.3 Ų61.339%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-112.3143.8173.649.80000110.3E1037 P1088E1037-S1086 WeakPolarHBondContact CB-OG 3.49Å; E1037-S1086 PolarHBondContact N-O 2.71Å; E1037-S1086 PolarHBondContact O-N 3.16Å; E1037-S1086 PolarHBondContact O-OG 3.14Å; S1086-P1088 WeakPolarHBondContact O-CD 3.44Å
1087L82Confident74.4Confident11 Ų1161.5 Ų61.56%0.05834%0.338CS..  trans-112.493.9177.6-59175.7000108.6P1003 L1004 M1034 V1036 R1089 C1090 L1098P1003-L1087 HydrophobicContact CG-CD1 4.49Å; L1004-L1087 HydrophobicContact CD1-CD1 3.84Å; L1004-L1087 HydrophobicContact CD1-CD2 3.25Å; L1004-L1087 HydrophobicContact CD1-CG 4.1Å; L1004-L1087 HydrophobicContact CG-CD1 4.45Å; L1004-L1087 HydrophobicContact CG-CD2 4.46Å; M1034-L1087 HydrophobicContact CE-CD1 3.81Å; M1034-L1087 HydrophobicContact CE-CD2 4.24Å; M1034-L1087 HydrophobicContact CE-CG 4.42Å; V1036-L1087 HydrophobicContact CB-CD2 4.23Å; V1036-L1087 HydrophobicContact CG1-CD2 4.05Å; V1036-L1087 HydrophobicContact CG2-CD2 3.81Å; L1087-R1089 PolarHBondContact O-N 3.08Å; L1087-R1089 VanDerWaalsContact O-N 3.09Å; L1087-C1090 HydrophobicContact CB-CB 4.12Å; L1087-C1090 CarbonylContact O-C 3.49Å; L1087-C1090 PolarHBondContact O-N 3.27Å; L1087-L1098 HydrophobicContact CD1-CD1 4.48Å
1088P73.1Confident73.6Confident53 Ų5354 Ų5434%0.34431%0.309SS..THydrogen-bonded Turntrans-60.5-27.3-171-23.534.2000113.5E1035 E1037 S1086E1035-P1088 WeakPolarHBondContact O-CD 3.35Å; E1037-P1088 HydrophobicContact CB-CG 4.24Å; E1037-P1088 VanDerWaalsContact CD-CG 3.48Å; E1037-P1088 HydrophobicContact CG-CG 3.7Å; S1086-P1088 WeakPolarHBondContact O-CD 3.44Å
1089R68.6Low72.8Confident173 Ų17356.4 Ų56.465%0.65332%0.316SS*.THydrogen-bonded Turntrans-92.2-4.5179.2-60.9-171.5-173.3-154.1-2.6114.1E1035 L1087E1035-R1089 HydrophobicContact CB-CG 4.44Å; E1035-R1089 IonicContact OE2-CZ 3.42Å; E1035-R1089 VanDerWaalsContact OE2-CZ 3.32Å; E1035-R1089 IonicContact OE2-NE 2.72Å; E1035-R1089 PolarHBondContact OE2-NE 3.18Å; E1035-R1089 IonicContact OE2-NH2 3.29Å; E1035-R1089 PolarHBondContact OE2-NH2 3.09Å; L1087-R1089 PolarHBondContact O-N 3.08Å; L1087-R1089 VanDerWaalsContact O-N 3.09Å
1090C65.1Low72.1Confident44 Ų4457.9 Ų57.930%0.29732%0.315SS..  trans-135.869.3-179.8-148.40000109.8M1034 L1087 T1092 S1093M1034-C1090 HydrophobicContact CE-CB 4.45Å; L1087-C1090 HydrophobicContact CB-CB 4.12Å; L1087-C1090 CarbonylContact O-C 3.49Å; L1087-C1090 PolarHBondContact O-N 3.27Å; C1090-T1092 PolarHBondContact O-N 3.15Å; C1090-T1092 VanDerWaalsContact O-N 3.12Å; C1090-S1093 WeakPolarHBondContact O-CB 3.33Å; C1090-S1093 PolarHBondContact O-N 3.08Å
1091P56.3Low71.6Confident117 Ų11759.4 Ų59.476%0.7632%0.321SS*.THydrogen-bonded Turntrans-67-13.3-172.626.7-34.1000113.8S1093P1091-S1093 VanDerWaalsContact C-N 3.33Å
1092T53.3Low71.2Confident125 Ų12560.1 Ų60.177%0.76733%0.325SS*.THydrogen-bonded Turntrans-81.5-7.417447.20000113.7C1090 N1094C1090-T1092 PolarHBondContact O-N 3.15Å; C1090-T1092 VanDerWaalsContact O-N 3.12Å; T1092-N1094 PolarHBondContact O-N 3Å
1093S57.6Low70.9Confident32 Ų3257.4 Ų57.422%0.22432%0.315CS..SBendtrans-82.7105.4176-171.40000110.4C1090 P1091 S1095C1090-S1093 WeakPolarHBondContact O-CB 3.33Å; C1090-S1093 PolarHBondContact O-N 3.08Å; P1091-S1093 VanDerWaalsContact C-N 3.33Å; S1093-S1095 PolarHBondContact O-N 3.13Å; S1093-S1095 VanDerWaalsContact O-N 3.08Å
1094N58.3Low70.8Confident114 Ų11463.3 Ų63.361%0.6134%0.343SS*.  trans-59.2108.8178.4-84.4-19.1000111.6T1092 P1096 A1097T1092-N1094 PolarHBondContact O-N 3Å; N1094-P1096 HydrophobicContact CB-CG 4.12Å; N1094-P1096 VanDerWaalsContact O-N 3.13Å; N1094-A1097 HydrophobicContact CB-CB 4.1Å; N1094-A1097 WeakPolarHBondContact O-CB 3.45Å; N1094-A1097 PolarHBondContact O-N 3.42Å
1095S59.2Low70.8Confident39 Ų3969.8 Ų69.827%0.27337%0.365SS..Hα-helixtrans-39.4-43.2164.9163.30000114.1S1093 A1097 L1098 R1099S1093-S1095 PolarHBondContact O-N 3.13Å; S1093-S1095 VanDerWaalsContact O-N 3.08Å; S1095-A1097 PolarHBondContact O-N 2.72Å; S1095-L1098 PolarHBondContact O-N 2.89Å; S1095-R1099 WeakPolarHBondContact O-CG 3.45Å; S1095-R1099 PolarHBondContact O-N 3.28Å
1096P62.7Low71.1Confident79 Ų7969.6 Ų69.651%0.51336%0.364SS..Hα-helixtrans-68.9-25.4178.223.9-33.4000115.5N1094 L1098 R1099N1094-P1096 HydrophobicContact CB-CG 4.12Å; N1094-P1096 VanDerWaalsContact O-N 3.13Å; P1096-L1098 VanDerWaalsContact C-N 3.33Å; P1096-L1098 PolarHBondContact O-N 3.24Å; P1096-R1099 WeakPolarHBondContact O-CB 3.29Å; P1096-R1099 PolarHBondContact O-N 3.11Å
1097A66.5Low71.4Confident28 Ų2870.8 Ų70.823%0.23136%0.362CS..Hα-helixtrans-70.7-30.7179.500000112.2N1094 S1095 R1100N1094-A1097 HydrophobicContact CB-CB 4.1Å; N1094-A1097 WeakPolarHBondContact O-CB 3.45Å; N1094-A1097 PolarHBondContact O-N 3.42Å; S1095-A1097 PolarHBondContact O-N 2.72Å; A1097-R1100 WeakPolarHBondContact O-CD 3.43Å; A1097-R1100 WeakPolarHBondContact O-CG 3.12Å; A1097-R1100 PolarHBondContact O-NE 3.07Å
1098L71.4Confident71.8Confident8 Ų870.2 Ų70.24%0.04236%0.359CS..Hα-helixtrans-75.3-29173.8-64.8178.5000112.1V1002 L1004 I1006 L1087 S1095 P1096 R1100 F1101V1002-L1098 HydrophobicContact CG1-CD2 4.11Å; L1004-L1098 HydrophobicContact CB-CD2 4.42Å; L1004-L1098 WeakPolarHBondContact O-CD2 3.49Å; I1006-L1098 HydrophobicContact CD1-CB 3.93Å; I1006-L1098 HydrophobicContact CD1-CD1 3.96Å; I1006-L1098 HydrophobicContact CD1-CD2 4.24Å; I1006-L1098 HydrophobicContact CD1-CG 4.26Å; L1087-L1098 HydrophobicContact CD1-CD1 4.48Å; S1095-L1098 PolarHBondContact O-N 2.89Å; P1096-L1098 VanDerWaalsContact C-N 3.33Å; P1096-L1098 PolarHBondContact O-N 3.24Å; L1098-R1100 VanDerWaalsContact C-N 3.29Å; L1098-R1100 PolarHBondContact O-N 3.1Å; L1098-F1101 PolarHBondContact O-N 3.44Å
1099R72.5Confident72.5Confident87 Ų8771.3 Ų71.333%0.32836%0.359SS..Hα-helixtrans-65.5-26.2177.9-66.8178.9-174.5175.4-1.9113.6N1084 S1095 P1096 F1101 L1102N1084-R1099 PolarHBondContact OD1-NH2 3.29Å; S1095-R1099 WeakPolarHBondContact O-CG 3.45Å; S1095-R1099 PolarHBondContact O-N 3.28Å; P1096-R1099 WeakPolarHBondContact O-CB 3.29Å; P1096-R1099 PolarHBondContact O-N 3.11Å; R1099-F1101 PolarHBondContact O-N 3.49Å; R1099-L1102 PolarHBondContact O-N 3.45Å
1100R73.5Confident73.2Confident92 Ų9267.5 Ų67.535%0.34736%0.356SS..THydrogen-bonded Turntrans-63.6-25.8-178.680.9-167.2169.8169.9-9113.4E1000 A1097 L1098 L1102E1000-R1100 IonicContact OE1-CZ 2.73Å; E1000-R1100 IonicContact OE1-NH1 3.52Å; E1000-R1100 IonicContact OE1-NH2 3.74Å; E1000-R1100 PolarHBondContact OE1-NH2 3.42Å; E1000-R1100 IonicContact OE2-CZ 3.94Å; E1000-R1100 IonicContact OE2-NH1 3.26Å; E1000-R1100 PolarHBondContact OE2-NH1 3.31Å; E1000-R1100 IonicContact OE2-NH2 2.89Å; E1000-R1100 PolarHBondContact OE2-NH2 3.25Å; A1097-R1100 WeakPolarHBondContact O-CD 3.43Å; A1097-R1100 WeakPolarHBondContact O-CG 3.12Å; A1097-R1100 PolarHBondContact O-NE 3.07Å; L1098-R1100 VanDerWaalsContact C-N 3.29Å; L1098-R1100 PolarHBondContact O-N 3.1Å; R1100-L1102 VanDerWaalsContact C-N 3.31Å
1101F76.5Confident73.7Confident39 Ų3970.2 Ų70.217%0.17136%0.364CS..THydrogen-bonded Turntrans-80.4-17.8177.8-57.2-63.9000112.3I899 V1002 Y1005 I1006 L1098 R1099I899-F1101 HydrophobicContact CD1-CE1 3.55Å; I899-F1101 HydrophobicContact CD1-CZ 3.73Å; V1002-F1101 HydrophobicContact CG1-CE2 3.87Å; V1002-F1101 HydrophobicContact CG1-CZ 4.31Å; V1002-F1101 HydrophobicContact CG2-CE2 4.29Å; V1002-F1101 HydrophobicContact CG2-CZ 4.09Å; Y1005-F1101 HydrophobicContact CD2-CD1 4.44Å; Y1005-F1101 HydrophobicContact CD2-CG 4.45Å; Y1005-F1101 AromaticContact CE2-CD1 3.94Å; Y1005-F1101 HydrophobicContact CE2-CD1 3.94Å; Y1005-F1101 HydrophobicContact CE2-CE1 4.27Å; Y1005-F1101 HydrophobicContact CE2-CG 4.22Å; I1006-F1101 WeakPolarHBondContact O-CB 3.12Å; L1098-F1101 PolarHBondContact O-N 3.44Å; R1099-F1101 PolarHBondContact O-N 3.49Å
1102L81Confident74.1Confident19 Ų1968.2 Ų68.210%0.09937%0.365CS..SBendtrans-91.1144.6179.7-69.2-179.9000112.1I1006 A1008 Y1024 L1083 R1099 R1100I1006-L1102 HydrophobicContact CG2-CD1 4.13Å; I1006-L1102 HydrophobicContact CG2-CD2 3.71Å; I1006-L1102 HydrophobicContact CG2-CG 4.07Å; A1008-L1102 HydrophobicContact CB-CD2 3.9Å; Y1024-L1102 HydrophobicContact CD1-CD1 4.42Å; Y1024-L1102 HydrophobicContact CD1-CD2 3.77Å; Y1024-L1102 HydrophobicContact CE1-CD1 4.18Å; Y1024-L1102 HydrophobicContact CE1-CD2 3.81Å; L1083-L1102 HydrophobicContact CB-CD1 4.46Å; L1083-L1102 HydrophobicContact CD2-CD1 4.44Å; R1099-L1102 PolarHBondContact O-N 3.45Å; R1100-L1102 VanDerWaalsContact C-N 3.31Å
1103P78.7Confident74.1Confident37 Ų3774 Ų7424%0.2437%0.373CS..  trans-73.6128.7173.524.8-21.6000109.7A1008 L1010A1008-P1103 HydrophobicContact CB-CG 4.15Å; L1010-P1103 HydrophobicContact CD1-CB 4.47Å; L1010-P1103 HydrophobicContact CD1-CG 4.29Å; L1010-P1103 HydrophobicContact CD2-CB 4.1Å; L1010-P1103 HydrophobicContact CD2-CG 3.24Å; L1010-P1103 HydrophobicContact CG-CG 4.41Å
1104Q81.9Confident74.1Confident134 Ų13481.3 Ų81.363%0.62640%0.404SS*.  trans-89.2-27.4-176.2-64.1-176.22.200113.2T1079 L1080T1079-Q1104 WeakPolarHBondContact CA-O 3.47Å; T1079-Q1104 WeakPolarHBondContact CG2-O 3.44Å; L1080-Q1104 PolarHBondContact N-O 3.22Å; L1080-Q1104 VanDerWaalsContact N-O 3.07Å
1105R84.9Confident73.7Confident169 Ų16981.1 Ų81.164%0.63841%0.409SS*.EExtended strand (participates in β ladder)trans-134.1146.3-173.2-64.8-175.8174.7-178.1-0.5110.8Y1077 Q1078Y1077-R1105 HydrophobicContact CD1-CB 4.46Å; Q1078-R1105 WeakPolarHBondContact O-CA 3.32Å
1106I89Confident73Confident6 Ų686.3 Ų86.33%0.03143%0.433CS..EExtended strand (participates in β ladder)trans-132.5147.2170.9-166.1176.5000109.1L1010 P1011 L1020 F1046 Q1078 L1080 V1108L1010-I1106 HydrophobicContact CD1-CB 4.47Å; L1010-I1106 HydrophobicContact CD1-CD1 3.88Å; L1010-I1106 HydrophobicContact CD1-CG1 4.17Å; P1011-I1106 WeakPolarHBondContact O-CD1 3.1Å; L1020-I1106 HydrophobicContact CD1-CD1 4.34Å; L1020-I1106 HydrophobicContact CD2-CD1 4.03Å; F1046-I1106 HydrophobicContact CZ-CG2 3.97Å; Q1078-I1106 PolarHBondContact N-O 3.38Å; Q1078-I1106 PolarHBondContact O-N 3.44Å; L1080-I1106 HydrophobicContact CD1-CB 4.31Å; L1080-I1106 HydrophobicContact CD1-CG2 4.45Å; L1080-I1106 HydrophobicContact CD2-CB 4.31Å; L1080-I1106 HydrophobicContact CD2-CG2 3.61Å; L1080-I1106 HydrophobicContact CG-CB 4.23Å; L1080-I1106 HydrophobicContact CG-CG2 3.86Å; I1106-V1108 HydrophobicContact CG2-CG2 4.13Å
1107F87.6Confident72Confident80 Ų8089.7 Ų89.735%0.35145%0.447SS..EExtended strand (participates in β ladder)trans-81124.8171.7-168.6-106.8000110.8F1013 G1014 Y1077 K1109F1013-F1107 CarbonylContact C-O 3.57Å; F1013-F1107 VanDerWaalsContact CA-O 3.31Å; F1013-F1107 WeakPolarHBondContact CA-O 3.3Å; F1013-F1107 WeakPolarHBondContact CB-O 3.42Å; G1014-F1107 PolarHBondContact N-O 3.34Å; Y1077-F1107 HydrophobicContact CD1-CB 4.12Å; Y1077-F1107 HydrophobicContact CD1-CD2 4.32Å; Y1077-F1107 AromaticContact CD2-CD2 3.42Å; Y1077-F1107 HydrophobicContact CD2-CD2 3.42Å; Y1077-F1107 VanDerWaalsContact CD2-CD2 3.42Å; Y1077-F1107 HydrophobicContact CD2-CE2 4.03Å; Y1077-F1107 HydrophobicContact CD2-CG 4.41Å; Y1077-F1107 HydrophobicContact CE1-CB 3.87Å; Y1077-F1107 HydrophobicContact CE1-CD2 4.45Å; Y1077-F1107 HydrophobicContact CE2-CB 4.31Å; Y1077-F1107 AromaticContact CE2-CD2 3.55Å; Y1077-F1107 HydrophobicContact CE2-CD2 3.55Å; Y1077-F1107 HydrophobicContact CE2-CE2 4.24Å; Y1077-F1107 HydrophobicContact CE2-CG 4.25Å; Y1077-F1107 HydrophobicContact CG-CB 4.46Å; Y1077-F1107 AromaticContact CG-CD2 3.82Å; Y1077-F1107 HydrophobicContact CG-CD2 3.82Å; F1107-K1109 HydrophobicContact CD1-CG 4.18Å; F1107-K1109 HydrophobicContact CE1-CG 3.99Å
1108V89.4Confident70.9Confident0 Ų092.5 Ų92.50%047%0.471CS..EExtended strand (participates in β ladder)trans-109.2124.1177-175.40000109.7G1014 V1016 F1046 P1072 M1074 A1075 G1076 Q1078 I1106G1014-V1108 CarbonylContact O-C 3.59Å; G1014-V1108 WeakPolarHBondContact O-CA 3.41Å; V1016-V1108 HydrophobicContact CG2-CG1 3.89Å; F1046-V1108 HydrophobicContact CE1-CG2 4.26Å; F1046-V1108 HydrophobicContact CZ-CG2 3.78Å; P1072-V1108 HydrophobicContact CB-CG1 3.54Å; P1072-V1108 HydrophobicContact CB-CG2 4.16Å; P1072-V1108 HydrophobicContact CG-CG1 4.14Å; M1074-V1108 WeakPolarHBondContact O-CB 3.44Å; M1074-V1108 VanDerWaalsContact O-CG1 3.27Å; M1074-V1108 WeakPolarHBondContact O-CG1 3.44Å; A1075-V1108 CarbonylContact C-O 3.57Å; A1075-V1108 WeakPolarHBondContact CA-O 3.47Å; G1076-V1108 PolarHBondContact N-O 3.18Å; G1076-V1108 PolarHBondContact O-N 3.41Å; Q1078-V1108 HydrophobicContact CB-CG2 3.98Å; Q1078-V1108 HydrophobicContact CG-CB 4.29Å; Q1078-V1108 HydrophobicContact CG-CG2 4.01Å; I1106-V1108 HydrophobicContact CG2-CG2 4.13Å
1109K87.9Confident69.4Low76 Ų7697.3 Ų97.333%0.3351%0.505SS..EExtended strand (participates in β ladder)trans-83.7143.7178.7-62.7176.2-178.9170.10110.8F1013 G1014 R1015 V1016 F1107F1013-K1109 HydrophobicContact CD2-CD 3.64Å; F1013-K1109 HydrophobicContact CD2-CG 4.21Å; F1013-K1109 HydrophobicContact CE2-CD 3.83Å; F1013-K1109 HydrophobicContact CG-CD 4.27Å; F1013-K1109 VanDerWaalsContact CZ-NZ 3.32Å; G1014-K1109 PolarHBondContact O-N 2.95Å; R1015-K1109 WeakPolarHBondContact CA-O 3.08Å; R1015-K1109 HydrophobicContact CG-CB 4.14Å; V1016-K1109 WeakPolarHBondContact CG2-O 3.45Å; V1016-K1109 PolarHBondContact N-O 2.89Å; F1107-K1109 HydrophobicContact CD1-CG 4.18Å; F1107-K1109 HydrophobicContact CE1-CG 3.99Å
1110P83.9Confident68Low92 Ų92100.6 Ų100.660%0.59753%0.527SS*.PPolyproline II helixtrans-66.4157177.428-33.5000112.4A1075 G1112A1075-P1110 HydrophobicContact CB-CB 3.71Å; A1075-P1110 HydrophobicContact CB-CG 4.36Å; P1110-G1112 PolarHBondContact O-N 3.33Å
1111Q75.8Confident66.3Low101 Ų101100.4 Ų100.447%0.47255%0.545SS..PPolyproline II helixtrans-73.3119.9172.9-156.9175.125.200108.2V1016 R1113V1016-Q1111 HydrophobicContact CB-CB 4.3Å; V1016-Q1111 HydrophobicContact CG1-CB 4.41Å; Q1111-R1113 PolarHBondContact O-N 3.03Å
1112G64Low64.4Low76 Ų76103.5 Ų103.578%0.78458%0.578SS**PPolyproline II helixtrans-62.9132.8-177.700000111.9P1110P1110-G1112 PolarHBondContact O-N 3.33Å
1113R53.5Low62.1Low247 Ų247111.2 Ų111.293%0.93265%0.645SS**PPolyproline II helixtrans-73.8130.9166.8-82.1-175.3176.4177.3-1.5109Q1111Q1111-R1113 PolarHBondContact O-N 3.03Å
1114Q57Low61.2Low184 Ų184115 Ų11586%0.8667%0.665SS**PPolyproline II helixtrans-62.2142.4156.7-74.6-157.8-14.200108.6D1116Q1114-D1116 PolarHBondContact O-N 2.83Å
1115P49.9Very low60.1Low110 Ų110113.9 Ų113.971%0.71467%0.667SS**PPolyproline II helixtrans-75.8125.6-170.931.9-30.4000108.9
1116D46Very low58.8Low148 Ų148110.9 Ų110.979%0.79167%0.669SS**  178.8155.1127.6-85.7-20.8000112Q1114Q1114-D1116 PolarHBondContact O-N 2.83Å
1117D41.8Very low57Low150 Ų150117.1 Ų117.180%0.80271%0.706SS**  trans77.585170.8-63.5-21.4000118.4
1118A43.6Very low55.1Low88 Ų88119.4 Ų119.473%0.72773%0.728SS**  52.3133.9114.700000118.7
1119S38.6Very low52.8Low108 Ų108127.3 Ų127.376%0.75578%0.777SS**  trans86.4141.8159.286.90000116.7
1120I42.7Very low50.3Low157 Ų157131 Ų13181%0.80581%0.809SS**  cis-162154.9-5.4-109.7161.3000105.6
1121A39Very low47.7Very low88 Ų88134 Ų13473%0.72783%0.825SS**  trans-7.5150.7164.100000122.1
1122A35.1Very low45.3Very low103 Ų103136.8 Ų136.885%0.85185%0.854SS**  trans88.693.714800000118.7
1123A32.9Very low43.6Very low182 Ų182142.3 Ų142.3100%1.50486%0.861SS**  -172.50118.900000109.3

Retrieved 1,123 of 1,123 residues in 541.6 ms (Link to these results)

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