A0A087YA80_POEFO Loading...

Serine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB , UniProt , Accession A0A087YA80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 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
1N49.7Very low72.5Confident198 Ų198118.9 Ų118.9100%1.05971%0.707SS**  0106.10-69.1-7.9000109T3N1-T3 PolarHBondContact O-N 3.45Å
2P50.7Low73.7Confident126 Ų126115 Ų11582%0.81869%0.685SS**  trans-69.3103.6172.928.9-27.8000106.8M4P2-M4 PolarHBondContact O-N 2.91Å; P2-M4 VanDerWaalsContact O-N 3.15Å
3T55.7Low75.1Confident135 Ų135109.4 Ų109.483%0.82867%0.665SS**  trans-58.6112.7167.525.20000107.4N1N1-T3 PolarHBondContact O-N 3.45Å
4M63.2Low76.3Confident82 Ų82111.9 Ų111.940%0.40466%0.662SS.*PPolyproline II helixtrans-55.8142.4171-70.8-166.5-170.600109.1P2 L6 K14 W17P2-M4 PolarHBondContact O-N 2.91Å; P2-M4 VanDerWaalsContact O-N 3.15Å; M4-L6 PolarHBondContact O-N 2.89Å; M4-K14 HydrophobicContact CE-CB 4.49Å; M4-W17 HydrophobicContact CE-CB 4.07Å; M4-W17 HydrophobicContact CE-CG 4.23Å
5S67.9Low77.5Confident95 Ų95115.5 Ų115.566%0.66467%0.67SS**PPolyproline II helixtrans-56.6135.1-176.454.60000111.8T7S5-T7 PolarHBondContact O-N 3Å
6L79.4Confident78.6Confident128 Ų128114.1 Ų114.167%0.6766%0.664SS**PPolyproline II helixtrans-60.6119.5172.6-71.5165.9000109.5M4 H10M4-L6 PolarHBondContact O-N 2.89Å; L6-H10 WeakPolarHBondContact CA-O 3.21Å
7T82.5Confident79.5Confident91 Ų91114.8 Ų114.856%0.55865%0.653SS**BIsolated β-bridgetrans-111.1116.6173.5-54.50000107.8S5 G9 H10S5-T7 PolarHBondContact O-N 3Å; T7-G9 PolarHBondContact O-N 3.34Å; T7-G9 VanDerWaalsContact O-N 3.12Å; T7-H10 PolarHBondContact N-O 2.93Å; T7-H10 PolarHBondContact O-N 3.21Å
8N87.4Confident80.4Confident158 Ų158112.8 Ų112.885%0.84564%0.64SS**THydrogen-bonded Turntrans50.334.6-174.4-61.3-23.5000113.8H10N8-H10 PolarHBondContact O-CD2 3.27Å; N8-H10 VanDerWaalsContact O-CD2 3.27Å
9G87.8Confident81.3Confident63 Ų63110.9 Ų110.965%0.64964%0.635SS**THydrogen-bonded Turntrans83.73.4-179.700000115.7T7T7-G9 PolarHBondContact O-N 3.34Å; T7-G9 VanDerWaalsContact O-N 3.12Å
10H87.2Confident82Confident144 Ų144109 Ų10967%0.66762%0.62SS**BIsolated β-bridgetrans-110.3145.6178.3-58.5-79.8000111.8L6 T7 N8L6-H10 WeakPolarHBondContact CA-O 3.21Å; T7-H10 PolarHBondContact N-O 2.93Å; T7-H10 PolarHBondContact O-N 3.21Å; N8-H10 PolarHBondContact O-CD2 3.27Å; N8-H10 VanDerWaalsContact O-CD2 3.27Å
11S86.4Confident82.7Confident88 Ų88106.9 Ų106.962%0.61561%0.607SS**  trans-126.6150.117062.10000110.5
12V86.9Confident84.9Confident72 Ų72103.8 Ų103.844%0.43658%0.584SS.*  trans-120.8134.2176.8178.10000108.1T16 W17V12-T16 HydrophobicContact CG1-CG2 4.03Å; V12-W17 HydrophobicContact CG1-CB 4.48Å
13G91.6Very high87.2Confident42 Ų42102.6 Ų102.643%0.43357%0.568SS.*  trans-71.9150.517600000111.7E15 T16 W17G13-E15 VanDerWaalsContact C-N 3.27Å; G13-E15 PolarHBondContact O-N 3.23Å; G13-T16 PolarHBondContact O-N 2.64Å; G13-T16 VanDerWaalsContact O-N 3.17Å; G13-W17 PolarHBondContact O-N 3.3Å; G13-W17 VanDerWaalsContact O-N 3.07Å
14K91.2Very high89.2Confident144 Ų144102.3 Ų102.363%0.62656%0.559SS**Hα-helixtrans-54.7-43.2177-176.8-176.9174-172.10112.2M4 T16 W17 D18M4-K14 HydrophobicContact CE-CB 4.49Å; K14-T16 VanDerWaalsContact C-N 3.35Å; K14-T16 PolarHBondContact O-N 3.16Å; K14-W17 PolarHBondContact O-N 2.91Å; K14-D18 WeakPolarHBondContact CE-OD2 3.28Å; K14-D18 WeakPolarHBondContact O-CB 3.23Å; K14-D18 VanDerWaalsContact O-CG 3.3Å; K14-D18 PolarHBondContact O-N 3.39Å
15E94.8Very high90.8Very high167 Ų167105.6 Ų105.678%0.7858%0.578SS**Hα-helixtrans-61.3-41.9179.4-65.7176.5-179.600112.4G13 W17 D18 S19G13-E15 VanDerWaalsContact C-N 3.27Å; G13-E15 PolarHBondContact O-N 3.23Å; E15-W17 VanDerWaalsContact C-N 3.35Å; E15-D18 PolarHBondContact O-N 3.3Å; E15-S19 WeakPolarHBondContact O-CB 3.46Å; E15-S19 PolarHBondContact O-N 3.22Å
16T94.6Very high92.2Very high92 Ų92103.9 Ų103.956%0.56456%0.559SS**Hα-helixtrans-64.8-40.5176.1-50.30000111.4V12 G13 K14 S19 H20V12-T16 HydrophobicContact CG1-CG2 4.03Å; G13-T16 PolarHBondContact O-N 2.64Å; G13-T16 VanDerWaalsContact O-N 3.17Å; K14-T16 VanDerWaalsContact C-N 3.35Å; K14-T16 PolarHBondContact O-N 3.16Å; T16-S19 PolarHBondContact O-N 2.87Å; T16-H20 PolarHBondContact O-N 3.48Å
17W94.4Very high93Very high127 Ų127101.6 Ų101.648%0.48155%0.552SS.*Hα-helixtrans-66-42.9176-174.8-104.4000112.4M4 V12 G13 K14 E15 S19 H20 N21M4-W17 HydrophobicContact CE-CB 4.07Å; M4-W17 HydrophobicContact CE-CG 4.23Å; V12-W17 HydrophobicContact CG1-CB 4.48Å; G13-W17 PolarHBondContact O-N 3.3Å; G13-W17 VanDerWaalsContact O-N 3.07Å; K14-W17 PolarHBondContact O-N 2.91Å; E15-W17 VanDerWaalsContact C-N 3.35Å; W17-S19 VanDerWaalsContact C-N 3.32Å; W17-S19 PolarHBondContact O-N 2.99Å; W17-H20 WeakPolarHBondContact O-CB 3.41Å; W17-H20 PolarHBondContact O-N 2.67Å; W17-N21 PolarHBondContact NE1-ND2 3.27Å; W17-N21 PolarHBondContact O-N 2.82Å; W17-N21 PolarHBondContact O-ND2 3.31Å
18D95.8Very high93.7Very high78 Ų78100.3 Ų100.342%0.41754%0.542SS..Hα-helixtrans-63.8-39.5176.1-69-18.8000110.9K14 E15 N21 K22K14-D18 WeakPolarHBondContact CE-OD2 3.28Å; K14-D18 WeakPolarHBondContact O-CB 3.23Å; K14-D18 VanDerWaalsContact O-CG 3.3Å; K14-D18 PolarHBondContact O-N 3.39Å; E15-D18 PolarHBondContact O-N 3.3Å; D18-N21 PolarHBondContact O-N 3.48Å; D18-K22 PolarHBondContact O-N 3.47Å; D18-K22 VanDerWaalsContact O-N 3.1Å
19S96.6Very high94.2Very high78 Ų7895.4 Ų95.455%0.54552%0.52SS..Hα-helixtrans-63.9-39.1172.9-170.90000112.7E15 T16 W17 K22 M23E15-S19 WeakPolarHBondContact O-CB 3.46Å; E15-S19 PolarHBondContact O-N 3.22Å; T16-S19 PolarHBondContact O-N 2.87Å; W17-S19 VanDerWaalsContact C-N 3.32Å; W17-S19 PolarHBondContact O-N 2.99Å; S19-K22 PolarHBondContact O-N 2.95Å; S19-M23 WeakPolarHBondContact O-CB 3.48Å; S19-M23 PolarHBondContact O-N 2.82Å
20H96.9Very high94.6Very high72 Ų7297 Ų9733%0.33352%0.516SS..Hα-helixtrans-59.7-46.8173.4160.9-84.1000110.9T16 W17 K22 M23 M24T16-H20 PolarHBondContact O-N 3.48Å; W17-H20 WeakPolarHBondContact O-CB 3.41Å; W17-H20 PolarHBondContact O-N 2.67Å; H20-K22 PolarHBondContact O-N 3.45Å; H20-M23 WeakPolarHBondContact O-CB 3.35Å; H20-M23 PolarHBondContact O-N 3.33Å; H20-M23 VanDerWaalsContact O-N 3.13Å; H20-M24 WeakPolarHBondContact O-CG 3.27Å; H20-M24 PolarHBondContact O-N 3.15Å; H20-M24 VanDerWaalsContact O-N 3.07Å
21N96Very high95.2Very high64 Ų6493.3 Ų93.334%0.34251%0.507SS..Hα-helixtrans-61.5-36-180-63.9-28.4000111.8W17 D18W17-N21 PolarHBondContact NE1-ND2 3.27Å; W17-N21 PolarHBondContact O-N 2.82Å; W17-N21 PolarHBondContact O-ND2 3.31Å; D18-N21 PolarHBondContact O-N 3.48Å
22K96.8Very high95.7Very high134 Ų13492.2 Ų92.258%0.58349%0.494SS*.Hα-helixtrans-67-48.1173.3-164.9-173.1175.8-160.70111.7D18 S19 H20 M24 L25 E26D18-K22 PolarHBondContact O-N 3.47Å; D18-K22 VanDerWaalsContact O-N 3.1Å; S19-K22 PolarHBondContact O-N 2.95Å; H20-K22 PolarHBondContact O-N 3.45Å; K22-M24 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 2.83Å; K22-E26 WeakPolarHBondContact CD-OE1 3.45Å; K22-E26 VanDerWaalsContact CE-OE1 3.22Å; K22-E26 WeakPolarHBondContact CE-OE1 3.42Å; K22-E26 HydrophobicContact CG-CG 4.3Å; K22-E26 IonicContact NZ-OE1 2.75Å; K22-E26 WeakPolarHBondContact O-CG 3.44Å; K22-E26 PolarHBondContact O-N 2.71Å
23M97.8Very high96.2Very high100 Ų10092.9 Ų92.949%0.49350%0.502SS..Hα-helixtrans-53.4-39.5178.9-178.8-177.670.700112.2S19 H20 L25 E26S19-M23 WeakPolarHBondContact O-CB 3.48Å; S19-M23 PolarHBondContact O-N 2.82Å; H20-M23 WeakPolarHBondContact O-CB 3.35Å; H20-M23 PolarHBondContact O-N 3.33Å; H20-M23 VanDerWaalsContact O-N 3.13Å; M23-L25 PolarHBondContact O-N 3.36Å; M23-L25 VanDerWaalsContact O-N 3.17Å; M23-E26 PolarHBondContact O-N 2.77Å
24M97.3Very high96.5Very high129 Ų12997.8 Ų97.864%0.63551%0.514SS*.THydrogen-bonded Turntrans-68-11.4179.5-65.8-56.5-63.200114.7H20 K22H20-M24 WeakPolarHBondContact O-CG 3.27Å; H20-M24 PolarHBondContact O-N 3.15Å; H20-M24 VanDerWaalsContact O-N 3.07Å; K22-M24 PolarHBondContact O-N 3.44Å
25L97.4Very high96.9Very high152 Ų15293.7 Ų93.780%0.79650%0.501SS*.THydrogen-bonded Turntrans-118.9-3.7-178.1-59.4176.7000112.9K22 M23K22-L25 PolarHBondContact O-N 2.83Å; M23-L25 PolarHBondContact O-N 3.36Å; M23-L25 VanDerWaalsContact O-N 3.17Å
26E97.2Very high97Very high58 Ų5887.7 Ų87.727%0.27147%0.472SS..  trans-70.8135.3-176.1-85.4176.7173.700111.6K22 M23K22-E26 WeakPolarHBondContact CD-OE1 3.45Å; K22-E26 VanDerWaalsContact CE-OE1 3.22Å; K22-E26 WeakPolarHBondContact CE-OE1 3.42Å; K22-E26 HydrophobicContact CG-CG 4.3Å; K22-E26 IonicContact NZ-OE1 2.75Å; K22-E26 WeakPolarHBondContact O-CG 3.44Å; K22-E26 PolarHBondContact O-N 2.71Å; M23-E26 PolarHBondContact O-N 2.77Å
27P97.4Very high97.2Very high80 Ų8085.7 Ų85.752%0.51946%0.462SS..  trans-61.2150.3172.1-22.233.1000111.5S29 V30 S31P27-S29 PolarHBondContact O-N 2.87Å; P27-S29 VanDerWaalsContact O-N 3.12Å; P27-V30 PolarHBondContact O-N 3.33Å; P27-S31 PolarHBondContact O-N 3.07Å
28L97.2Very high97.4Very high65 Ų6584.4 Ų84.434%0.3446%0.464SS..Hα-helixtrans-52.4-39179179.562.8000112.9V30 S31 D32 V35 F36 I39 L485L28-V30 PolarHBondContact O-N 3.29Å; L28-V30 VanDerWaalsContact O-N 3.13Å; L28-S31 PolarHBondContact O-N 3.28Å; L28-D32 HydrophobicContact CD1-CB 3.99Å; L28-D32 CarbonylContact O-C 3.53Å; L28-D32 VanDerWaalsContact O-C 3.28Å; L28-D32 PolarHBondContact O-N 3.41Å; L28-D32 VanDerWaalsContact O-O 3.13Å; L28-V35 HydrophobicContact CD1-CB 4.46Å; L28-V35 HydrophobicContact CD1-CG1 4.27Å; L28-V35 HydrophobicContact CD2-CG1 4.42Å; L28-F36 HydrophobicContact CG-CB 4.33Å; L28-F36 HydrophobicContact CG-CD2 4.44Å; L28-I39 HydrophobicContact CD2-CD1 3.82Å; L28-L485 HydrophobicContact CD2-CD1 4.37Å
29S96.6Very high97.5Very high55 Ų5583.6 Ų83.639%0.38546%0.458SS..Hα-helixtrans-60.2-23.8179.559.50000114.3P27P27-S29 PolarHBondContact O-N 2.87Å; P27-S29 VanDerWaalsContact O-N 3.12Å
30V97.2Very high97.5Very high95 Ų9585.2 Ų85.258%0.57646%0.456SS*.Hα-helixtrans-99.1-47.6178-1790000110.2P27 L28P27-V30 PolarHBondContact O-N 3.33Å; L28-V30 PolarHBondContact O-N 3.29Å; L28-V30 VanDerWaalsContact O-N 3.13Å
31S98.1Very high97.6Very high68 Ų6888.5 Ų88.548%0.47647%0.469SS..Hα-helixtrans-65.4-41.9-176.1-177.30000112.5P27 L28P27-S31 PolarHBondContact O-N 3.07Å; L28-S31 PolarHBondContact O-N 3.28Å
32D98.1Very high97.7Very high65 Ų6588.9 Ų88.935%0.34847%0.469SS..  trans-144.785.5179.8-166.8-28.9000111.3L28 E34 V35 F36L28-D32 HydrophobicContact CD1-CB 3.99Å; L28-D32 CarbonylContact O-C 3.53Å; L28-D32 VanDerWaalsContact O-C 3.28Å; L28-D32 PolarHBondContact O-N 3.41Å; L28-D32 VanDerWaalsContact O-O 3.13Å; D32-E34 PolarHBondContact O-N 2.86Å; D32-E34 PolarHBondContact OD1-N 3Å; D32-E34 VanDerWaalsContact OD1-N 3.13Å; D32-V35 HydrophobicContact CB-CB 4.29Å; D32-V35 PolarHBondContact OD1-N 3.39Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.38Å; D32-F36 WeakPolarHBondContact O-CB 3.34Å; D32-F36 PolarHBondContact O-N 3.13Å
33S97.6Very high97.7Very high86 Ų8684.7 Ų84.760%0.60145%0.451SS*.Hα-helixtrans-64.5-23178.869.10000113.8S37S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.25Å; S33-S37 PolarHBondContact O-N 3.42Å
34E98.6Very high97.7Very high144 Ų14485 Ų8567%0.67345%0.45SS*.Hα-helixtrans-74.4-51.7-179.9-174.5172-17300110.2D32 F36 S37 I38D32-E34 PolarHBondContact O-N 2.86Å; D32-E34 PolarHBondContact OD1-N 3Å; D32-E34 VanDerWaalsContact OD1-N 3.13Å; E34-F36 VanDerWaalsContact C-N 3.31Å; E34-F36 PolarHBondContact O-N 3.31Å; E34-S37 WeakPolarHBondContact O-CB 3.44Å; E34-S37 PolarHBondContact O-N 2.87Å; E34-I38 HydrophobicContact CG-CD1 4.41Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 2.71Å
35V98.3Very high97.7Very high59 Ų5983.3 Ų83.336%0.35844%0.437SS..Hα-helixtrans-60.6-42.4174.4172.30000110.9L28 D32 S37 I38 I39L28-V35 HydrophobicContact CD1-CB 4.46Å; L28-V35 HydrophobicContact CD1-CG1 4.27Å; L28-V35 HydrophobicContact CD2-CG1 4.42Å; D32-V35 HydrophobicContact CB-CB 4.29Å; D32-V35 PolarHBondContact OD1-N 3.39Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.38Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 3.24Å; V35-I38 PolarHBondContact O-N 3.13Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 HydrophobicContact CG1-CG1 4.47Å; V35-I39 WeakPolarHBondContact O-CG1 3.32Å; V35-I39 PolarHBondContact O-N 2.9Å
36F97.9Very high97.7Very high40 Ų4078.6 Ų78.618%0.17541%0.411CS..Hα-helixtrans-57.6-42.9175.7-176.8-101000112.5L28 D32 E34 I39 K40 L485L28-F36 HydrophobicContact CG-CB 4.33Å; L28-F36 HydrophobicContact CG-CD2 4.44Å; D32-F36 WeakPolarHBondContact O-CB 3.34Å; D32-F36 PolarHBondContact O-N 3.13Å; E34-F36 VanDerWaalsContact C-N 3.31Å; E34-F36 PolarHBondContact O-N 3.31Å; F36-I39 PolarHBondContact O-N 3.42Å; F36-K40 HydrophobicContact CD1-CD 4.21Å; F36-K40 HydrophobicContact CE1-CD 3.71Å; F36-K40 HydrophobicContact CE1-CG 4.47Å; F36-K40 VanDerWaalsContact CE1-NZ 3.29Å; F36-K40 HydrophobicContact CZ-CD 4.13Å; F36-K40 PolarHBondContact O-N 3.37Å; F36-K40 VanDerWaalsContact O-N 3.11Å; F36-L485 HydrophobicContact CD2-CD1 3.78Å; F36-L485 HydrophobicContact CD2-CD2 3.58Å; F36-L485 HydrophobicContact CD2-CG 3.98Å; F36-L485 HydrophobicContact CE2-CD1 3.59Å; F36-L485 HydrophobicContact CE2-CD2 3.63Å; F36-L485 HydrophobicContact CE2-CG 3.61Å; F36-L485 HydrophobicContact CG-CD2 4.39Å
37S97.9Very high97.8Very high50 Ų5077 Ų7735%0.3541%0.405SS..Hα-helixtrans-64.7-41.2176.9-175.50000112.2S33 E34 V35 K40 K41S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.25Å; S33-S37 PolarHBondContact O-N 3.42Å; E34-S37 WeakPolarHBondContact O-CB 3.44Å; E34-S37 PolarHBondContact O-N 2.87Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 3.24Å; S37-K40 PolarHBondContact O-N 3.1Å; S37-K41 WeakPolarHBondContact O-CG 3.13Å; S37-K41 PolarHBondContact O-N 3.37Å
38I98.5Very high97.8Very high101 Ų10177.6 Ų77.652%0.51840%0.398SS..Hα-helixtrans-61.8-46.7176.6-67.8166.8000110.9E34 V35 K40 K41 E42E34-I38 HydrophobicContact CG-CD1 4.41Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 2.71Å; V35-I38 PolarHBondContact O-N 3.13Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.27Å; I38-K41 PolarHBondContact O-N 2.97Å; I38-E42 PolarHBondContact O-N 3.39Å
39I98.2Very high97.9Very high60 Ų6074.7 Ų74.731%0.30838%0.383SS..Hα-helixtrans-62-42.3179.2-64.3167.2000110.9L28 V35 F36 K41 E42 K43 L485L28-I39 HydrophobicContact CD2-CD1 3.82Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 HydrophobicContact CG1-CG1 4.47Å; V35-I39 WeakPolarHBondContact O-CG1 3.32Å; V35-I39 PolarHBondContact O-N 2.9Å; F36-I39 PolarHBondContact O-N 3.42Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 3.49Å; I39-E42 PolarHBondContact O-N 3.27Å; I39-K43 PolarHBondContact O-N 3Å; I39-L485 HydrophobicContact CB-CD2 3.82Å; I39-L485 HydrophobicContact CD1-CD2 4.48Å; I39-L485 HydrophobicContact CG2-CB 4.42Å; I39-L485 HydrophobicContact CG2-CD2 3.51Å
40K97.5Very high98Very high113 Ų11372 Ų7249%0.49137%0.365SS..Hα-helixtrans-60.2-41175.5-79.7-171.2166.5-177.90112.8F36 S37 I38 K43 H44 L485F36-K40 HydrophobicContact CD1-CD 4.21Å; F36-K40 HydrophobicContact CE1-CD 3.71Å; F36-K40 HydrophobicContact CE1-CG 4.47Å; F36-K40 VanDerWaalsContact CE1-NZ 3.29Å; F36-K40 HydrophobicContact CZ-CD 4.13Å; F36-K40 PolarHBondContact O-N 3.37Å; F36-K40 VanDerWaalsContact O-N 3.11Å; S37-K40 PolarHBondContact O-N 3.1Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.27Å; K40-K43 PolarHBondContact O-N 2.87Å; K40-H44 WeakPolarHBondContact O-CB 3.32Å; K40-H44 PolarHBondContact O-N 3.13Å; K40-L485 HydrophobicContact CG-CD2 4.36Å
41K97.9Very high98.1Very high141 Ų14167.6 Ų67.661%0.61334%0.338SS*.Hα-helixtrans-64.7-40.3176.1-70.9171.7-174.6175.10111.6S37 I38 I39 H44 R45S37-K41 WeakPolarHBondContact O-CG 3.13Å; S37-K41 PolarHBondContact O-N 3.37Å; I38-K41 PolarHBondContact O-N 2.97Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 3.49Å; K41-H44 WeakPolarHBondContact O-CB 3.48Å; K41-H44 PolarHBondContact O-N 2.98Å; K41-R45 PolarHBondContact O-N 3.42Å
42E98.1Very high98.1Very high72 Ų7264.4 Ų64.434%0.33632%0.316SS..Hα-helixtrans-67.5-42.1176.2177.155.1-160.100112.2I38 I39 H44 R45 Q46I38-E42 PolarHBondContact O-N 3.39Å; I39-E42 PolarHBondContact O-N 3.27Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 2.93Å; E42-R45 VanDerWaalsContact CD-NE 3.33Å; E42-R45 WeakPolarHBondContact O-CB 3.37Å; E42-R45 PolarHBondContact O-N 3.17Å; E42-R45 VanDerWaalsContact O-N 3.15Å; E42-R45 IonicContact OE1-CZ 3.92Å; E42-R45 IonicContact OE1-NE 3.74Å; E42-R45 PolarHBondContact OE1-NE 2.81Å; E42-R45 VanDerWaalsContact OE1-NE 3.09Å; E42-R45 IonicContact OE1-NH2 3.5Å; E42-R45 PolarHBondContact OE1-NH2 3.48Å; E42-R45 WeakPolarHBondContact OE2-CD 3.46Å; E42-R45 IonicContact OE2-CZ 2.56Å; E42-R45 IonicContact OE2-NE 3.37Å; E42-R45 PolarHBondContact OE2-NE 3.16Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.43Å; E42-Q46 WeakPolarHBondContact OE1-CG 3.49Å; E42-Q46 PolarHBondContact OE1-NE2 3.26Å
43K97.3Very high98.1Very high46 Ų4662.9 Ų62.920%0.231%0.307CS..Hα-helixtrans-59.1-41.5173.6178162.1-177.8174.20111.8I39 K40 Q46 T47 L482 P483 L485I39-K43 PolarHBondContact O-N 3Å; K40-K43 PolarHBondContact O-N 2.87Å; K43-Q46 PolarHBondContact O-N 2.95Å; K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 3.24Å; K43-T47 PolarHBondContact O-OG1 3.45Å; K43-L482 PolarHBondContact NZ-O 3.15Å; K43-P483 PolarHBondContact NZ-O 2.98Å; K43-L485 WeakPolarHBondContact CD-OXT 3.41Å; K43-L485 PolarHBondContact NZ-O 3.04Å
44H96.9Very high98.2Very high106 Ų10658.8 Ų58.849%0.49128%0.278SS..Hα-helixtrans-60.2-49173.5-176.988.6000111.2K40 K41 E42 Q46 T47 Y48K40-H44 WeakPolarHBondContact O-CB 3.32Å; K40-H44 PolarHBondContact O-N 3.13Å; K41-H44 WeakPolarHBondContact O-CB 3.48Å; K41-H44 PolarHBondContact O-N 2.98Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 2.93Å; H44-Q46 VanDerWaalsContact C-N 3.33Å; H44-Q46 PolarHBondContact O-N 3.01Å; H44-T47 PolarHBondContact O-N 3.38Å; H44-T47 VanDerWaalsContact O-N 3.1Å; H44-Y48 AromaticContact CD2-CD2 3.95Å; H44-Y48 AromaticContact CE1-CD2 3.29Å; H44-Y48 WeakPolarHBondContact CE1-CD2 3.3Å; H44-Y48 AromaticContact CE1-CE2 3.27Å; H44-Y48 WeakPolarHBondContact CE1-CE2 3.3Å; H44-Y48 AromaticContact CG-CD2 3.86Å; H44-Y48 AromaticContact ND1-CD2 3.46Å; H44-Y48 WeakPolarHBondContact ND1-CD2 3.47Å; H44-Y48 AromaticContact ND1-CE2 3.28Å; H44-Y48 VanDerWaalsContact ND1-CE2 3.28Å; H44-Y48 WeakPolarHBondContact ND1-CE2 3.15Å; H44-Y48 AromaticContact NE2-CD2 3.63Å; H44-Y48 VanDerWaalsContact O-CD2 3.28Å; H44-Y48 WeakPolarHBondContact O-CD2 3.3Å; H44-Y48 PolarHBondContact O-N 2.56Å
45R98Very high98.2Very high94 Ų9453.6 Ų53.636%0.35526%0.258SS..Hα-helixtrans-55.4-45.3177.3-168.1-15366.369.81.8112.3K41 E42 G49 E51K41-R45 PolarHBondContact O-N 3.42Å; E42-R45 VanDerWaalsContact CD-NE 3.33Å; E42-R45 WeakPolarHBondContact O-CB 3.37Å; E42-R45 PolarHBondContact O-N 3.17Å; E42-R45 VanDerWaalsContact O-N 3.15Å; E42-R45 IonicContact OE1-CZ 3.92Å; E42-R45 IonicContact OE1-NE 3.74Å; E42-R45 PolarHBondContact OE1-NE 2.81Å; E42-R45 VanDerWaalsContact OE1-NE 3.09Å; E42-R45 IonicContact OE1-NH2 3.5Å; E42-R45 PolarHBondContact OE1-NH2 3.48Å; E42-R45 WeakPolarHBondContact OE2-CD 3.46Å; E42-R45 IonicContact OE2-CZ 2.56Å; E42-R45 IonicContact OE2-NE 3.37Å; E42-R45 PolarHBondContact OE2-NE 3.16Å; R45-G49 WeakPolarHBondContact O-CA 3.33Å; R45-G49 PolarHBondContact O-N 2.56Å; R45-E51 IonicContact CZ-OE1 2.79Å; R45-E51 IonicContact NH1-OE1 2.91Å; R45-E51 PolarHBondContact NH1-OE1 3.37Å; R45-E51 IonicContact NH2-OE1 3.22Å; R45-E51 PolarHBondContact NH2-OE1 3.31Å
46Q98.2Very high98.2Very high52 Ų5254.1 Ų54.124%0.24326%0.257CS..Hα-helixtrans-68.4-33177.9-68.8174.97.500113.1E42 K43 H44 F58 R412 M479E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.43Å; E42-Q46 WeakPolarHBondContact OE1-CG 3.49Å; E42-Q46 PolarHBondContact OE1-NE2 3.26Å; K43-Q46 PolarHBondContact O-N 2.95Å; H44-Q46 VanDerWaalsContact C-N 3.33Å; H44-Q46 PolarHBondContact O-N 3.01Å; Q46-F58 HydrophobicContact CB-CE1 4.11Å; Q46-F58 HydrophobicContact CG-CE1 4.29Å; Q46-R412 PolarHBondContact O-NH1 2.89Å; Q46-R412 VanDerWaalsContact O-NH1 3.1Å; Q46-M479 HydrophobicContact CB-CE 3.53Å; Q46-M479 HydrophobicContact CB-SD 4.17Å; Q46-M479 HydrophobicContact CG-CE 4.33Å
47T97.9Very high98.2Very high26 Ų2653.6 Ų53.616%0.1626%0.256CS..Hα-helixtrans-70.1-41.6179.9-58.60000111.4K43 H44 R412K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 3.24Å; K43-T47 PolarHBondContact O-OG1 3.45Å; H44-T47 PolarHBondContact O-N 3.38Å; H44-T47 VanDerWaalsContact O-N 3.1Å; T47-R412 PolarHBondContact O-NH1 2.95Å; T47-R412 PolarHBondContact O-NH2 3.24Å
48Y98.3Very high98.3Very high91 Ų9152 Ų5236%0.35724%0.243SC..Hα-helixtrans-101.8-2.9-174.7-61.9-76.3000113.6H44 E471 A474H44-Y48 AromaticContact CD2-CD2 3.95Å; H44-Y48 AromaticContact CE1-CD2 3.29Å; H44-Y48 WeakPolarHBondContact CE1-CD2 3.3Å; H44-Y48 AromaticContact CE1-CE2 3.27Å; H44-Y48 WeakPolarHBondContact CE1-CE2 3.3Å; H44-Y48 AromaticContact CG-CD2 3.86Å; H44-Y48 AromaticContact ND1-CD2 3.46Å; H44-Y48 WeakPolarHBondContact ND1-CD2 3.47Å; H44-Y48 AromaticContact ND1-CE2 3.28Å; H44-Y48 VanDerWaalsContact ND1-CE2 3.28Å; H44-Y48 WeakPolarHBondContact ND1-CE2 3.15Å; H44-Y48 AromaticContact NE2-CD2 3.63Å; H44-Y48 VanDerWaalsContact O-CD2 3.28Å; H44-Y48 WeakPolarHBondContact O-CD2 3.3Å; H44-Y48 PolarHBondContact O-N 2.56Å; Y48-E471 WeakPolarHBondContact O-CA 3.33Å; Y48-E471 WeakPolarHBondContact O-CG 3.44Å; Y48-A474 WeakPolarHBondContact O-CB 3.48Å
49G98.6Very high98.3Very high4 Ų448.1 Ų48.14%0.04123%0.226CC..SBendtrans-91.7154.1174.600000114.2R45 A382 R412R45-G49 WeakPolarHBondContact O-CA 3.33Å; R45-G49 PolarHBondContact O-N 2.56Å; G49-A382 WeakPolarHBondContact CA-O 3.35Å; G49-R412 PolarHBondContact O-NH1 3.32Å
50L98.9Very high98.3Very high0 Ų046.4 Ų46.40%022%0.219CC..EExtended strand (participates in β ladder)trans-92.6100.1165.8-69.4176.3000110.3L52 A382 I383 A384 L409 M414 V422 F425 V470 F473 A474L50-L52 PolarHBondContact O-N 2.9Å; L50-A382 PolarHBondContact N-O 3.07Å; L50-I383 HydrophobicContact CB-CG1 4.41Å; L50-I383 HydrophobicContact CD1-CG1 4.3Å; L50-A384 PolarHBondContact O-N 3.15Å; L50-L409 HydrophobicContact CD2-CD1 4.21Å; L50-L409 HydrophobicContact CD2-CD2 3.99Å; L50-M414 HydrophobicContact CD2-CE 3.66Å; L50-M414 HydrophobicContact CD2-SD 4.34Å; L50-V422 HydrophobicContact CD1-CG1 4.4Å; L50-V422 HydrophobicContact CD1-CG2 4.1Å; L50-V422 HydrophobicContact CD2-CG2 4.17Å; L50-F425 HydrophobicContact CD1-CD2 4Å; L50-V470 HydrophobicContact CB-CG1 4.5Å; L50-V470 HydrophobicContact CD1-CG1 3.79Å; L50-V470 HydrophobicContact CD1-CG2 4.41Å; L50-V470 HydrophobicContact CG-CG1 3.84Å; L50-F473 HydrophobicContact CD2-CD1 4.21Å; L50-F473 HydrophobicContact CD2-CE1 4.36Å; L50-A474 HydrophobicContact CD2-CB 4.11Å; L50-A474 HydrophobicContact CG-CB 4.45Å
51E98.8Very high98.4Very high2 Ų246.9 Ų46.91%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-79.899.7178.7-68.7-57.1161.400113.2R45 F58 A384 A408 L409R45-E51 IonicContact CZ-OE1 2.79Å; R45-E51 IonicContact NH1-OE1 2.91Å; R45-E51 PolarHBondContact NH1-OE1 3.37Å; R45-E51 IonicContact NH2-OE1 3.22Å; R45-E51 PolarHBondContact NH2-OE1 3.31Å; E51-F58 HydrophobicContact CB-CZ 4.25Å; E51-F58 HydrophobicContact CG-CE1 4.43Å; E51-F58 HydrophobicContact CG-CZ 3.74Å; E51-A384 WeakPolarHBondContact OE2-CB 3.32Å; E51-A408 HydrophobicContact CB-CB 3.73Å; E51-L409 WeakPolarHBondContact O-CG 3.31Å
52L98.9Very high98.4Very high0 Ų042 Ų420%020%0.204CC..  trans-109.88.1177.5-64.8163.6000113.4L50 A54 L339 I383 A384 F404 G405 L409 V422 I426L50-L52 PolarHBondContact O-N 2.9Å; L52-A54 PolarHBondContact O-N 2.91Å; L52-A54 VanDerWaalsContact O-N 3.13Å; L52-L339 HydrophobicContact CD2-CD2 4.23Å; L52-I383 HydrophobicContact CD1-CG2 3.73Å; L52-A384 CarbonylContact C-O 3.57Å; L52-A384 WeakPolarHBondContact CA-O 3.26Å; L52-A384 WeakPolarHBondContact CB-O 3.37Å; L52-A384 PolarHBondContact N-O 3.43Å; L52-F404 HydrophobicContact CB-CB 4.4Å; L52-F404 HydrophobicContact CB-CD1 3.77Å; L52-F404 HydrophobicContact CD1-CD1 3.81Å; L52-F404 HydrophobicContact CD1-CE1 4.17Å; L52-F404 HydrophobicContact CG-CD1 4.37Å; L52-F404 CarbonylContact O-C 3.53Å; L52-F404 WeakPolarHBondContact O-CA 3.43Å; L52-G405 PolarHBondContact O-N 3.26Å; L52-L409 HydrophobicContact CD2-CD1 3.58Å; L52-L409 HydrophobicContact CD2-CG 4.42Å; L52-L409 HydrophobicContact CG-CD1 4.13Å; L52-V422 HydrophobicContact CD1-CG1 3.84Å; L52-V422 HydrophobicContact CD2-CG1 4.1Å; L52-V422 HydrophobicContact CG-CG1 4.43Å; L52-I426 HydrophobicContact CD1-CD1 3.66Å; L52-I426 HydrophobicContact CD1-CG1 4.08Å
53I98.8Very high98.5Very high33 Ų3338.6 Ų38.617%0.16919%0.188CC..  trans-66.5113.9173.3-62.1176.1000108.7S55 E56 A384I53-S55 WeakPolarHBondContact CG2-OG 3.46Å; I53-S55 PolarHBondContact O-N 2.89Å; I53-E56 HydrophobicContact CB-CB 4.27Å; I53-E56 HydrophobicContact CB-CG 3.99Å; I53-E56 HydrophobicContact CG2-CB 4.45Å; I53-E56 HydrophobicContact CG2-CG 3.82Å; I53-E56 PolarHBondContact O-N 3.25Å; I53-A384 HydrophobicContact CD1-CB 4.27Å; I53-A384 HydrophobicContact CG1-CB 4.38Å; I53-A384 PolarHBondContact N-O 3.32Å
54A98.6Very high98.5Very high0 Ų039.2 Ų39.20%019%0.193CC..THydrogen-bonded Turntrans-62.3-12.3-171.300000116L52 H358 L359 R403L52-A54 PolarHBondContact O-N 2.91Å; L52-A54 VanDerWaalsContact O-N 3.13Å; A54-H358 PolarHBondContact O-CD2 3.05Å; A54-H358 PolarHBondContact O-NE2 3Å; A54-H358 VanDerWaalsContact O-NE2 3.15Å; A54-L359 HydrophobicContact CB-CB 3.78Å; A54-L359 HydrophobicContact CB-CD2 4.04Å; A54-R403 HydrophobicContact CB-CG 4.23Å
55S98.4Very high98.6Very high35 Ų3538.6 Ų38.625%0.24519%0.19CC..THydrogen-bonded Turntrans-101.4-2.2176.850.30000113.7I53 K259I53-S55 WeakPolarHBondContact CG2-OG 3.46Å; I53-S55 PolarHBondContact O-N 2.89Å; S55-K259 WeakPolarHBondContact O-CG 3.5Å
56E98.8Very high98.6Very high70 Ų7034.9 Ų34.933%0.32718%0.18SC..  trans-98.7156.5179.5-68-170179.800112.1I53I53-E56 HydrophobicContact CB-CB 4.27Å; I53-E56 HydrophobicContact CB-CG 3.99Å; I53-E56 HydrophobicContact CG2-CB 4.45Å; I53-E56 HydrophobicContact CG2-CG 3.82Å; I53-E56 PolarHBondContact O-N 3.25Å
57N98.8Very high98.7Very high30 Ų3035 Ų3516%0.1618%0.182CC..  trans-165.7168.1177.1-148.3-24.4000109.4K259 R262 Y328 P407 S411N57-K259 VanDerWaalsContact CB-O 3.31Å; N57-K259 WeakPolarHBondContact CB-O 3.3Å; N57-K259 PolarHBondContact ND2-O 3.45Å; N57-R262 HydrophobicContact CB-CG 4.45Å; N57-Y328 PolarHBondContact ND2-OH 2.74Å; N57-P407 PolarHBondContact OD1-O 2.95Å; N57-S411 WeakPolarHBondContact OD1-CB 3.35Å; N57-S411 PolarHBondContact OD1-OG 3.46Å
58F98.8Very high98.7Very high16 Ų1637.2 Ų37.27%0.0721%0.21CC..  trans-104.5114.7176.5-54.8-64.6000110.3Q46 E51 R262 A408 R412 M479 P480Q46-F58 HydrophobicContact CB-CE1 4.11Å; Q46-F58 HydrophobicContact CG-CE1 4.29Å; E51-F58 HydrophobicContact CB-CZ 4.25Å; E51-F58 HydrophobicContact CG-CE1 4.43Å; E51-F58 HydrophobicContact CG-CZ 3.74Å; F58-R262 VanDerWaalsContact O-CD 3.3Å; F58-R262 WeakPolarHBondContact O-CD 3.49Å; F58-R262 WeakPolarHBondContact O-CG 3.1Å; F58-A408 HydrophobicContact CD2-CB 4.35Å; F58-A408 WeakPolarHBondContact CD2-O 3.32Å; F58-A408 HydrophobicContact CE2-CB 3.88Å; F58-A408 WeakPolarHBondContact CE2-O 3.46Å; F58-A408 HydrophobicContact CZ-CB 4.41Å; F58-R412 HydrophobicContact CD2-CG 3.81Å; F58-R412 HydrophobicContact CE2-CG 3.59Å; F58-M479 HydrophobicContact CD1-CE 3.4Å; F58-M479 VanDerWaalsContact CD1-CE 3.4Å; F58-M479 HydrophobicContact CD1-SD 4.05Å; F58-M479 HydrophobicContact CE1-CE 3.44Å; F58-M479 VanDerWaalsContact CE1-CE 3.44Å; F58-M479 HydrophobicContact CE1-SD 3.91Å; F58-M479 HydrophobicContact CE2-SD 4.49Å; F58-M479 HydrophobicContact CG-CE 4.19Å; F58-M479 HydrophobicContact CG-SD 4.4Å; F58-M479 HydrophobicContact CZ-CE 4.23Å; F58-M479 HydrophobicContact CZ-SD 4.11Å; F58-P480 HydrophobicContact CB-CB 3.89Å; F58-P480 HydrophobicContact CB-CG 3.98Å
59A98.7Very high98.7Very high20 Ų2034.8 Ų34.817%0.16521%0.206CC..  trans-66.4150.2176.300000110.9V63 L64A59-V63 HydrophobicContact CB-CG1 4.3Å; A59-L64 HydrophobicContact CB-CD2 4.1Å; A59-L64 HydrophobicContact CB-CG 4.38Å
60S98.8Very high98.7Very high23 Ų2339.2 Ų39.216%0.16124%0.235CC..  trans-70.5153.7177.367.80000111.6A62 V63 L64 Q319S60-A62 PolarHBondContact O-N 3.38Å; S60-V63 WeakPolarHBondContact O-CB 3.38Å; S60-V63 PolarHBondContact O-N 3.01Å; S60-V63 WeakPolarHBondContact OG-CG2 3.47Å; S60-L64 PolarHBondContact O-N 2.89Å; S60-Q319 VanDerWaalsContact OG-CD 3.28Å; S60-Q319 PolarHBondContact OG-NE2 2.88Å; S60-Q319 PolarHBondContact OG-OE1 3Å
61R98.6Very high98.7Very high123 Ų12341.6 Ų41.646%0.46425%0.247SC..Hα-helixtrans-48.3-47174.7-175.2178.4164.1170-3.3112.6V63 L64 E65 G481 L482R61-V63 VanDerWaalsContact C-N 3.29Å; R61-V63 PolarHBondContact O-N 3.44Å; R61-L64 PolarHBondContact O-N 3.33Å; R61-L64 VanDerWaalsContact O-N 3.09Å; R61-E65 HydrophobicContact CG-CG 4.32Å; R61-E65 IonicContact CZ-OE1 2.72Å; R61-E65 VanDerWaalsContact CZ-OE1 3.29Å; R61-E65 IonicContact NE-OE1 2.92Å; R61-E65 PolarHBondContact NE-OE1 2.95Å; R61-E65 IonicContact NH2-OE1 3.78Å; R61-E65 PolarHBondContact NH2-OE1 2.91Å; R61-E65 WeakPolarHBondContact O-CG 3.34Å; R61-E65 PolarHBondContact O-N 3.5Å; R61-G481 WeakPolarHBondContact CB-O 2.86Å; R61-L482 HydrophobicContact CG-CD2 4Å
62A98.8Very high98.7Very high39 Ų3946 Ų4632%0.32227%0.271SS..Hα-helixtrans-62.4-34.2-178.400000113.1S60 A66 V315S60-A62 PolarHBondContact O-N 3.38Å; A62-A66 PolarHBondContact O-N 2.95Å; A62-V315 HydrophobicContact CB-CG1 3.81Å
63V98.9Very high98.7Very high0 Ų052.2 Ų52.20%030%0.304CS..Hα-helixtrans-67.9-42.2174.6170.60000110.4A59 S60 R61 A66 L67 C264 V315 A316A59-V63 HydrophobicContact CB-CG1 4.3Å; S60-V63 WeakPolarHBondContact O-CB 3.38Å; S60-V63 PolarHBondContact O-N 3.01Å; S60-V63 WeakPolarHBondContact OG-CG2 3.47Å; R61-V63 VanDerWaalsContact C-N 3.29Å; R61-V63 PolarHBondContact O-N 3.44Å; V63-A66 PolarHBondContact O-N 3.31Å; V63-L67 PolarHBondContact O-N 3.28Å; V63-C264 HydrophobicContact CG1-CB 3.73Å; V63-V315 HydrophobicContact CG2-CB 4.12Å; V63-V315 HydrophobicContact CG2-CG1 3.78Å; V63-A316 HydrophobicContact CG2-CB 3.95Å
64L98.7Very high98.7Very high60 Ų6053.8 Ų53.831%0.31431%0.31SS..Hα-helixtrans-67.8-39.9179-60.1177.6000112.2A59 S60 R61 A66 L67 G68A59-L64 HydrophobicContact CB-CD2 4.1Å; A59-L64 HydrophobicContact CB-CG 4.38Å; S60-L64 PolarHBondContact O-N 2.89Å; R61-L64 PolarHBondContact O-N 3.33Å; R61-L64 VanDerWaalsContact O-N 3.09Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.42Å; L64-L67 HydrophobicContact CD2-CD1 4.24Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 3.3Å; L64-G68 PolarHBondContact O-N 2.94Å
65E98.7Very high98.7Very high93 Ų9359.4 Ų59.444%0.43533%0.331SS..Hα-helixtrans-60.5-38.3174.5-72.9177.2168.500111.8R61 L67 G68 L482R61-E65 HydrophobicContact CG-CG 4.32Å; R61-E65 IonicContact CZ-OE1 2.72Å; R61-E65 VanDerWaalsContact CZ-OE1 3.29Å; R61-E65 IonicContact NE-OE1 2.92Å; R61-E65 PolarHBondContact NE-OE1 2.95Å; R61-E65 IonicContact NH2-OE1 3.78Å; R61-E65 PolarHBondContact NH2-OE1 2.91Å; R61-E65 WeakPolarHBondContact O-CG 3.34Å; R61-E65 PolarHBondContact O-N 3.5Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.32Å; E65-G68 PolarHBondContact O-N 3.45Å; E65-L482 HydrophobicContact CG-CD2 4.03Å
66A98.8Very high98.7Very high16 Ų1657.7 Ų57.713%0.13232%0.32CS..Hα-helixtrans-66-34.9176.600000113A62 V63 L64 G68 S69 A311 V315A62-A66 PolarHBondContact O-N 2.95Å; V63-A66 PolarHBondContact O-N 3.31Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.42Å; A66-G68 VanDerWaalsContact C-N 3.33Å; A66-G68 PolarHBondContact O-N 3.21Å; A66-S69 WeakPolarHBondContact O-CB 3.47Å; A66-S69 PolarHBondContact O-N 3.22Å; A66-S69 PolarHBondContact O-OG 3.21Å; A66-A311 HydrophobicContact CB-CB 4.12Å; A66-V315 HydrophobicContact CB-CG2 4.43Å
67L98.8Very high98.7Very high54 Ų5455.8 Ų55.828%0.28331%0.311SS..Hα-helixtrans-64.6-36.3177.5-71.1174.6000112.6V63 L64 E65 S69 C264 A309V63-L67 PolarHBondContact O-N 3.28Å; L64-L67 HydrophobicContact CD2-CD1 4.24Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 3.3Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.32Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.94Å; L67-C264 HydrophobicContact CD1-CB 3.76Å; L67-C264 HydrophobicContact CD2-CB 3.86Å; L67-C264 HydrophobicContact CG-CB 4.09Å; L67-A309 HydrophobicContact CD2-CB 4.28Å
68G98.1Very high98.6Very high73 Ų7354.5 Ų54.575%0.75331%0.305SS*.THydrogen-bonded Turntrans-84.611.6178.900000114.8L64 E65 A66L64-G68 PolarHBondContact O-N 2.94Å; E65-G68 PolarHBondContact O-N 3.45Å; A66-G68 VanDerWaalsContact C-N 3.33Å; A66-G68 PolarHBondContact O-N 3.21Å
69S98.8Very high98.6Very high39 Ų3955.9 Ų55.927%0.27331%0.31SS..SBendtrans-85.3170.4-174.872.70000113.7A66 L67 M71 N72A66-S69 WeakPolarHBondContact O-CB 3.47Å; A66-S69 PolarHBondContact O-N 3.22Å; A66-S69 PolarHBondContact O-OG 3.21Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.94Å; S69-M71 PolarHBondContact O-N 3.11Å; S69-M71 WeakPolarHBondContact OG-CB 3.4Å; S69-M71 PolarHBondContact OG-N 3.02Å; S69-N72 PolarHBondContact O-N 3.04Å
70C98.6Very high98.6Very high97 Ų9756 Ų5666%0.65531%0.309SS*.G310 helixtrans-62.9-11.2176.366.10000114.3N72 N73C70-N72 PolarHBondContact O-N 3.2Å; C70-N72 VanDerWaalsContact O-N 3.1Å; C70-N73 WeakPolarHBondContact O-CB 3.49Å; C70-N73 PolarHBondContact O-N 3.44Å
71M98.8Very high98.5Very high51 Ų5157.7 Ų57.725%0.25133%0.329SS..G310 helixtrans-59.3-19.5172.9-65.4-63.3179.700112.3S69 N73 L94 N307 H308S69-M71 PolarHBondContact O-N 3.11Å; S69-M71 WeakPolarHBondContact OG-CB 3.4Å; S69-M71 PolarHBondContact OG-N 3.02Å; M71-N73 PolarHBondContact O-N 3.38Å; M71-L94 HydrophobicContact CE-CD2 4.4Å; M71-L94 HydrophobicContact CG-CD2 4.39Å; M71-L94 HydrophobicContact SD-CD2 4.18Å; M71-N307 HydrophobicContact CB-CB 4.26Å; M71-N307 WeakPolarHBondContact O-CB 3.36Å; M71-H308 HydrophobicContact CB-CB 4.02Å
72N98.8Very high98.4Very high95 Ų9559.6 Ų59.651%0.50834%0.344SS..G310 helixtrans-62-27.2172.7-173.969.4000113.3S69 C70 H308S69-N72 PolarHBondContact O-N 3.04Å; C70-N72 PolarHBondContact O-N 3.2Å; C70-N72 VanDerWaalsContact O-N 3.1Å; N72-H308 HydrophobicContact CB-CB 4.25Å; N72-H308 PolarHBondContact OD1-CE1 3.24Å; N72-H308 PolarHBondContact OD1-ND1 3.46Å
73N98.6Very high98.4Very high130 Ų13059.5 Ų59.570%0.69534%0.335SS*.G310 helixtrans-83.4-20.6-170.5-57.7-15.7000113.1C70 M71C70-N73 WeakPolarHBondContact O-CB 3.49Å; C70-N73 PolarHBondContact O-N 3.44Å; M71-N73 PolarHBondContact O-N 3.38Å
74K98.6Very high98.3Very high66 Ų6667 Ų6729%0.28736%0.364SS..  trans-90.9119.1-168.5-170.860.7178.6108.70112G86 G87 V91 N307K74-G86 PolarHBondContact NZ-O 2.68Å; K74-G87 WeakPolarHBondContact CE-O 3.33Å; K74-V91 HydrophobicContact CB-CG2 4.07Å; K74-V91 HydrophobicContact CG-CG2 3.69Å; K74-N307 PolarHBondContact O-ND2 2.94Å
75Y98.4Very high98.3Very high117 Ų11769.6 Ų69.646%0.45937%0.371SS..  trans-82130.7166.8-143.2-101.4000110.7E77 Y85 G304Y75-E77 HydrophobicContact CD1-CG 4.09Å; Y75-E77 HydrophobicContact CE1-CG 3.49Å; Y75-E77 VanDerWaalsContact CE1-CG 3.49Å; Y75-E77 PolarHBondContact OH-OE1 2.78Å; Y75-Y85 HydrophobicContact CD1-CD2 4.02Å; Y75-Y85 AromaticContact CD1-CE2 3.56Å; Y75-Y85 HydrophobicContact CD1-CE2 3.56Å; Y75-Y85 AromaticContact CD1-CZ 3.99Å; Y75-Y85 AromaticContact CE1-CE2 3.85Å; Y75-Y85 HydrophobicContact CE1-CE2 3.85Å; Y75-G304 PolarHBondContact OH-N 3.47Å
76S98.5Very high98.3Very high0 Ų068.1 Ų68.10%038%0.38CS..  trans-151.749.7-172.161.30000113.1R83 P305 N307S76-R83 PolarHBondContact O-NH1 3.18Å; S76-P305 WeakPolarHBondContact O-CD 3.4Å; S76-P305 VanDerWaalsContact OG-CG 3.3Å; S76-P305 WeakPolarHBondContact OG-CG 3.22Å; S76-N307 PolarHBondContact OG-ND2 2.98Å; S76-N307 PolarHBondContact OG-OD1 2.95Å
77E98.7Very high98.2Very high30 Ų3070.6 Ų70.614%0.1441%0.408CS..  trans-54146.3174-74.8-176.9145.700112.8Y75 R83 Y84 Y85 F298 G303 G304Y75-E77 HydrophobicContact CD1-CG 4.09Å; Y75-E77 HydrophobicContact CE1-CG 3.49Å; Y75-E77 VanDerWaalsContact CE1-CG 3.49Å; Y75-E77 PolarHBondContact OH-OE1 2.78Å; E77-R83 WeakPolarHBondContact O-CA 3.4Å; E77-R83 WeakPolarHBondContact O-CD 3.46Å; E77-Y84 HydrophobicContact CB-CD2 4.32Å; E77-Y84 PolarHBondContact O-N 3.3Å; E77-Y85 HydrophobicContact CB-CD2 4.26Å; E77-Y85 HydrophobicContact CB-CE2 3.99Å; E77-Y85 HydrophobicContact CG-CE2 4.27Å; E77-Y85 WeakPolarHBondContact OE2-CE2 3.47Å; E77-F298 HydrophobicContact CB-CE1 4.48Å; E77-F298 HydrophobicContact CB-CE2 3.81Å; E77-F298 HydrophobicContact CB-CZ 3.71Å; E77-F298 HydrophobicContact CG-CD2 4.49Å; E77-F298 HydrophobicContact CG-CE2 3.71Å; E77-F298 HydrophobicContact CG-CZ 4.13Å; E77-G303 VanDerWaalsContact OE1-CA 3.31Å; E77-G303 WeakPolarHBondContact OE1-CA 3.24Å; E77-G304 PolarHBondContact OE1-N 3.24Å
78G98.4Very high98.2Very high3 Ų368.9 Ų68.93%0.03140%0.399CS..EExtended strand (participates in β ladder)trans93.2-158.4-168.900000112.6R83 Q118G78-R83 PolarHBondContact O-NH1 2.95Å; G78-Q118 PolarHBondContact O-NE2 3.48Å; G78-Q118 VanDerWaalsContact O-NE2 3.12Å
79Y98.8Very high98.2Very high45 Ų4572.5 Ų72.518%0.17640%0.397CS..EExtended strand (participates in β ladder)trans-126.1162.2-176.8-69.8-73.3000111.1G81 Q82 R83 N116 Q118 N294Y79-G81 PolarHBondContact O-N 3.34Å; Y79-Q82 PolarHBondContact N-O 3.47Å; Y79-Q82 CarbonylContact O-C 3.2Å; Y79-Q82 PolarHBondContact O-N 2.93Å; Y79-R83 WeakPolarHBondContact O-CD 3.39Å; Y79-R83 PolarHBondContact O-NE 3.47Å; Y79-N116 WeakPolarHBondContact CE1-ND2 3.38Å; Y79-N116 PolarHBondContact OH-ND2 2.93Å; Y79-Q118 VanDerWaalsContact CD1-NE2 3.34Å; Y79-Q118 HydrophobicContact CE1-CG 4.32Å; Y79-Q118 VanDerWaalsContact CE1-NE2 3.29Å; Y79-N294 HydrophobicContact CE2-CB 3.82Å; Y79-N294 PolarHBondContact OH-O 3.17Å
80P98.6Very high98.2Very high23 Ų2376 Ų7615%0.14941%0.409CS..THydrogen-bonded Turntrans-51.6125.4-179.2-2935.6000113.2Q82 D92 E95 R96P80-Q82 VanDerWaalsContact C-N 3.32Å; P80-D92 WeakPolarHBondContact CA-OD2 3.4Å; P80-D92 HydrophobicContact CB-CB 4.09Å; P80-E95 HydrophobicContact CG-CB 3.88Å; P80-E95 HydrophobicContact CG-CG 3.91Å; P80-R96 HydrophobicContact CB-CG 3.86Å; P80-R96 HydrophobicContact CG-CG 4.17Å; P80-R96 PolarHBondContact O-NH2 2.9Å
81G96.7Very high98.2Very high57 Ų5771.7 Ų71.759%0.58838%0.379SS*.THydrogen-bonded Turntrans83.4-9.9-175.300000116.2Y79 D92Y79-G81 PolarHBondContact O-N 3.34Å; G81-D92 PolarHBondContact N-OD2 3.05Å
82Q96.3Very high98.2Very high164 Ų16470.2 Ų70.277%0.76637%0.373SS*.EExtended strand (participates in β ladder)trans-138.469.1174.2-66.1-173.511.200109.8Y79 P80Y79-Q82 PolarHBondContact N-O 3.47Å; Y79-Q82 CarbonylContact O-C 3.2Å; Y79-Q82 PolarHBondContact O-N 2.93Å; P80-Q82 VanDerWaalsContact C-N 3.32Å
83R98.2Very high98.2Very high36 Ų3671.8 Ų71.814%0.13638%0.377CS..EExtended strand (participates in β ladder)trans-97.6150.2179.6-60.9-67.4-166.6-175.80.3111.1S76 E77 G78 Y79 Y85 T88 D92 E95S76-R83 PolarHBondContact O-NH1 3.18Å; E77-R83 WeakPolarHBondContact O-CA 3.4Å; E77-R83 WeakPolarHBondContact O-CD 3.46Å; G78-R83 PolarHBondContact O-NH1 2.95Å; Y79-R83 WeakPolarHBondContact O-CD 3.39Å; Y79-R83 PolarHBondContact O-NE 3.47Å; R83-Y85 VanDerWaalsContact C-N 3.33Å; R83-T88 HydrophobicContact CB-CG2 4.22Å; R83-T88 HydrophobicContact CG-CG2 3.99Å; R83-D92 IonicContact CZ-OD1 3.04Å; R83-D92 VanDerWaalsContact CZ-OD1 3.23Å; R83-D92 IonicContact NE-OD1 2.78Å; R83-D92 PolarHBondContact NE-OD1 3.02Å; R83-D92 IonicContact NH2-OD1 2.8Å; R83-D92 PolarHBondContact NH2-OD1 2.78Å; R83-E95 IonicContact CZ-OE2 3.51Å; R83-E95 VanDerWaalsContact CZ-OE2 3.24Å; R83-E95 IonicContact NH1-OE2 2.68Å; R83-E95 PolarHBondContact NH1-OE2 2.89Å; R83-E95 IonicContact NH2-OE2 3.23Å; R83-E95 PolarHBondContact NH2-OE2 2.98Å
84Y97.9Very high98.3Very high158 Ų15866.7 Ų66.762%0.6235%0.349SS*.SBendtrans-78.5-21.6174.9-74-105.8000112.5E77 F298E77-Y84 HydrophobicContact CB-CD2 4.32Å; E77-Y84 PolarHBondContact O-N 3.3Å; Y84-F298 AromaticContact CD2-CE1 3.99Å; Y84-F298 HydrophobicContact CD2-CE1 3.99Å; Y84-F298 HydrophobicContact CD2-CZ 4.11Å; Y84-F298 AromaticContact CE2-CE1 3.43Å; Y84-F298 HydrophobicContact CE2-CE1 3.43Å; Y84-F298 VanDerWaalsContact CE2-CE1 3.43Å; Y84-F298 AromaticContact CE2-CZ 3.86Å; Y84-F298 HydrophobicContact CE2-CZ 3.86Å
85Y97.8Very high98.3Very high114 Ų11463.6 Ų63.645%0.44734%0.336SS..SBendtrans-122.9148.3-177.4-57.6-88.8000111.1Y75 E77 R83 T88Y75-Y85 HydrophobicContact CD1-CD2 4.02Å; Y75-Y85 AromaticContact CD1-CE2 3.56Å; Y75-Y85 HydrophobicContact CD1-CE2 3.56Å; Y75-Y85 AromaticContact CD1-CZ 3.99Å; Y75-Y85 AromaticContact CE1-CE2 3.85Å; Y75-Y85 HydrophobicContact CE1-CE2 3.85Å; E77-Y85 HydrophobicContact CB-CD2 4.26Å; E77-Y85 HydrophobicContact CB-CE2 3.99Å; E77-Y85 HydrophobicContact CG-CE2 4.27Å; E77-Y85 WeakPolarHBondContact OE2-CE2 3.47Å; R83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-T88 WeakPolarHBondContact O-CG2 3.5Å
86G97.9Very high98.3Very high62 Ų6264.6 Ų64.664%0.63934%0.339SS*.SBendtrans-74.2174.6171.500000114K74K74-G86 PolarHBondContact NZ-O 2.68Å
87G98.1Very high98.3Very high69 Ų6967.5 Ų67.571%0.71135%0.354SS*.  trans75.529.7175.900000114.4K74K74-G87 WeakPolarHBondContact CE-O 3.33Å
88T98.6Very high98.3Very high17 Ų1766 Ų6610%0.10435%0.347CS..  trans-103.69.6-174570000114.1R83 Y85 H90 V91 D92R83-T88 HydrophobicContact CB-CG2 4.22Å; R83-T88 HydrophobicContact CG-CG2 3.99Å; Y85-T88 WeakPolarHBondContact O-CG2 3.5Å; T88-H90 PolarHBondContact O-N 3.04Å; T88-V91 CarbonylContact O-C 3.59Å; T88-V91 PolarHBondContact O-N 2.78Å; T88-D92 WeakPolarHBondContact O-CB 3.42Å; T88-D92 PolarHBondContact O-N 2.93Å
89E98.4Very high98.4Very high150 Ų15068 Ų6870%0.70136%0.356SS*.Hα-helixtrans-47.1-56.8-175.4-177.9179.7175.200113D92 E93E89-D92 PolarHBondContact O-N 3.41Å; E89-E93 PolarHBondContact O-N 2.78Å
90H98.7Very high98.4Very high113 Ų11371.6 Ų71.652%0.52337%0.372SS..Hα-helixtrans-76.5-23.5-179.4-54.7-46.8000113.7T88 E93 L94T88-H90 PolarHBondContact O-N 3.04Å; H90-E93 IonicContact ND1-OE2 3.77Å; H90-L94 WeakPolarHBondContact O-CB 3.44Å; H90-L94 PolarHBondContact O-N 2.87Å
91V98.5Very high98.4Very high6 Ų672.8 Ų72.84%0.03637%0.374CS..Hα-helixtrans-72.2-38173.9173.10000110.6K74 T88 L94 E95 N307K74-V91 HydrophobicContact CB-CG2 4.07Å; K74-V91 HydrophobicContact CG-CG2 3.69Å; T88-V91 CarbonylContact O-C 3.59Å; T88-V91 PolarHBondContact O-N 2.78Å; V91-L94 PolarHBondContact O-N 2.86Å; V91-E95 WeakPolarHBondContact O-CB 3.43Å; V91-E95 PolarHBondContact O-N 2.96Å; V91-N307 WeakPolarHBondContact CG1-OD1 3.43Å
92D98.8Very high98.5Very high20 Ų2070.1 Ų70.111%0.10735%0.346CS..Hα-helixtrans-68.3-40.9174.8-76.511.1000111.1P80 G81 R83 T88 E89 L94 R96P80-D92 WeakPolarHBondContact CA-OD2 3.4Å; P80-D92 HydrophobicContact CB-CB 4.09Å; G81-D92 PolarHBondContact N-OD2 3.05Å; R83-D92 IonicContact CZ-OD1 3.04Å; R83-D92 VanDerWaalsContact CZ-OD1 3.23Å; R83-D92 IonicContact NE-OD1 2.78Å; R83-D92 PolarHBondContact NE-OD1 3.02Å; R83-D92 IonicContact NH2-OD1 2.8Å; R83-D92 PolarHBondContact NH2-OD1 2.78Å; T88-D92 WeakPolarHBondContact O-CB 3.42Å; T88-D92 PolarHBondContact O-N 2.93Å; E89-D92 PolarHBondContact O-N 3.41Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-R96 WeakPolarHBondContact O-CB 3.38Å; D92-R96 WeakPolarHBondContact O-CG 3.45Å; D92-R96 PolarHBondContact O-N 3.44Å
93E98.9Very high98.6Very high127 Ų12763.3 Ų63.359%0.59332%0.315SS*.Hα-helixtrans-55.8-49.5170.5-174.1-171.9165.500111E89 H90 L97E89-E93 PolarHBondContact O-N 2.78Å; H90-E93 IonicContact ND1-OE2 3.77Å; E93-L97 VanDerWaalsContact O-CB 3.31Å; E93-L97 WeakPolarHBondContact O-CB 3.43Å; E93-L97 PolarHBondContact O-N 3.21Å
94L98.9Very high98.7Very high23 Ų2366 Ų6612%0.1233%0.329CS..Hα-helixtrans-61.9-49-179.6173.464.7000112.5M71 H90 V91 D92 L97 C98 I310 A311 A314M71-L94 HydrophobicContact CE-CD2 4.4Å; M71-L94 HydrophobicContact CG-CD2 4.39Å; M71-L94 HydrophobicContact SD-CD2 4.18Å; H90-L94 WeakPolarHBondContact O-CB 3.44Å; H90-L94 PolarHBondContact O-N 2.87Å; V91-L94 PolarHBondContact O-N 2.86Å; D92-L94 VanDerWaalsContact C-N 3.34Å; L94-L97 PolarHBondContact O-N 3.48Å; L94-C98 WeakPolarHBondContact O-CB 3.49Å; L94-C98 PolarHBondContact O-N 3.37Å; L94-I310 HydrophobicContact CG-CG2 4.28Å; L94-A311 HydrophobicContact CD1-CB 4.07Å; L94-A311 HydrophobicContact CD2-CB 3.81Å; L94-A314 HydrophobicContact CD1-CB 4.36Å
95E98.9Very high98.7Very high1 Ų158.9 Ų58.91%0.00530%0.302CS..Hα-helixtrans-66.9-41.2-177-173.1174170.100111.1P80 R83 V91 L97 C98 Q99 Q118P80-E95 HydrophobicContact CG-CB 3.88Å; P80-E95 HydrophobicContact CG-CG 3.91Å; R83-E95 IonicContact CZ-OE2 3.51Å; R83-E95 VanDerWaalsContact CZ-OE2 3.24Å; R83-E95 IonicContact NH1-OE2 2.68Å; R83-E95 PolarHBondContact NH1-OE2 2.89Å; R83-E95 IonicContact NH2-OE2 3.23Å; R83-E95 PolarHBondContact NH2-OE2 2.98Å; V91-E95 WeakPolarHBondContact O-CB 3.43Å; V91-E95 PolarHBondContact O-N 2.96Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 3.01Å; E95-C98 WeakPolarHBondContact O-CB 3.35Å; E95-C98 PolarHBondContact O-N 3.39Å; E95-Q99 VanDerWaalsContact O-CG 3.25Å; E95-Q99 WeakPolarHBondContact O-CG 3.29Å; E95-Q99 PolarHBondContact O-N 2.99Å; E95-Q99 PolarHBondContact OE1-NE2 2.87Å; E95-Q118 WeakPolarHBondContact OE1-CG 3.5Å; E95-Q118 PolarHBondContact OE1-NE2 3.18Å; E95-Q118 PolarHBondContact OE2-NE2 3.45Å
96R98.9Very high98.7Very high138 Ų13854.4 Ų54.452%0.52129%0.285SS..Hα-helixtrans-61.5-41.3173.3-72175.2-171.9-105.9-0.3111.8P80 D92 Q99 K100P80-R96 HydrophobicContact CB-CG 3.86Å; P80-R96 HydrophobicContact CG-CG 4.17Å; P80-R96 PolarHBondContact O-NH2 2.9Å; D92-R96 WeakPolarHBondContact O-CB 3.38Å; D92-R96 WeakPolarHBondContact O-CG 3.45Å; D92-R96 PolarHBondContact O-N 3.44Å; R96-Q99 PolarHBondContact O-N 3Å; R96-K100 WeakPolarHBondContact O-CB 3Å; R96-K100 PolarHBondContact O-N 2.89Å
97L98.9Very high98.8Very high61 Ų6154.8 Ų54.832%0.31929%0.29SS..Hα-helixtrans-63.5-42.3176177.962.3000111.7E93 L94 E95 K100 R101E93-L97 VanDerWaalsContact O-CB 3.31Å; E93-L97 WeakPolarHBondContact O-CB 3.43Å; E93-L97 PolarHBondContact O-N 3.21Å; L94-L97 PolarHBondContact O-N 3.48Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 3.01Å; L97-K100 PolarHBondContact O-N 2.98Å; L97-R101 HydrophobicContact CD1-CG 4.25Å; L97-R101 WeakPolarHBondContact O-CB 3.39Å; L97-R101 WeakPolarHBondContact O-CG 3.37Å; L97-R101 PolarHBondContact O-N 2.99Å
98C98.9Very high98.8Very high0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-61.5-48.7176.7-170.50000111.2L94 E95 K100 R101 A102 I310 A314L94-C98 WeakPolarHBondContact O-CB 3.49Å; L94-C98 PolarHBondContact O-N 3.37Å; E95-C98 WeakPolarHBondContact O-CB 3.35Å; E95-C98 PolarHBondContact O-N 3.39Å; C98-K100 PolarHBondContact O-N 3.06Å; C98-R101 PolarHBondContact O-N 3.41Å; C98-A102 WeakPolarHBondContact O-CB 3.35Å; C98-A102 PolarHBondContact O-N 3.28Å; C98-I310 HydrophobicContact CB-CG2 3.71Å; C98-A314 HydrophobicContact CB-CB 3.92Å
99Q98.9Very high98.8Very high45 Ų4555.7 Ų55.721%0.2128%0.277CS..Hα-helixtrans-59.2-46.2177-69.3167.9-9.800111.6E95 R96 A102 L103 V115 A117E95-Q99 VanDerWaalsContact O-CG 3.25Å; E95-Q99 WeakPolarHBondContact O-CG 3.29Å; E95-Q99 PolarHBondContact O-N 2.99Å; E95-Q99 PolarHBondContact OE1-NE2 2.87Å; R96-Q99 PolarHBondContact O-N 3Å; Q99-A102 WeakPolarHBondContact O-CB 3.31Å; Q99-A102 PolarHBondContact O-N 3.32Å; Q99-L103 PolarHBondContact O-N 3.11Å; Q99-L103 VanDerWaalsContact O-N 3.13Å; Q99-V115 HydrophobicContact CB-CG1 3.76Å; Q99-V115 HydrophobicContact CG-CG1 4.01Å; Q99-V115 WeakPolarHBondContact O-CG1 3.47Å; Q99-A117 HydrophobicContact CG-CB 4.4Å
100K98.9Very high98.8Very high120 Ų12051.7 Ų51.752%0.52227%0.266SS..Hα-helixtrans-57.1-53175.7175.5177.9169.9177.30111.5R96 L97 C98 A102 L103 E104R96-K100 WeakPolarHBondContact O-CB 3Å; R96-K100 PolarHBondContact O-N 2.89Å; L97-K100 PolarHBondContact O-N 2.98Å; C98-K100 PolarHBondContact O-N 3.06Å; K100-A102 PolarHBondContact O-N 3.2Å; K100-L103 PolarHBondContact O-N 3.23Å; K100-E104 WeakPolarHBondContact CE-OE1 3.28Å; K100-E104 HydrophobicContact CG-CG 4.42Å; K100-E104 IonicContact NZ-OE1 3.24Å; K100-E104 WeakPolarHBondContact O-CG 3.48Å; K100-E104 PolarHBondContact O-N 3.47Å
101R98.9Very high98.7Very high48 Ų4852 Ų5218%0.18127%0.272CS..Hα-helixtrans-63-32179.8-73.8-177178.3164.88.6112.7L97 C98 E104 A105 A314 L317 M321L97-R101 HydrophobicContact CD1-CG 4.25Å; L97-R101 WeakPolarHBondContact O-CB 3.39Å; L97-R101 WeakPolarHBondContact O-CG 3.37Å; L97-R101 PolarHBondContact O-N 2.99Å; C98-R101 PolarHBondContact O-N 3.41Å; R101-E104 PolarHBondContact O-N 3.44Å; R101-A105 WeakPolarHBondContact O-CB 3.27Å; R101-A105 PolarHBondContact O-N 3.48Å; R101-A314 WeakPolarHBondContact CD-O 3.4Å; R101-A314 PolarHBondContact NH1-O 3.12Å; R101-L317 HydrophobicContact CB-CB 3.91Å; R101-L317 HydrophobicContact CB-CD1 4.31Å; R101-M321 HydrophobicContact CB-CE 4.31Å; R101-M321 HydrophobicContact CG-CE 4.15Å
102A98.9Very high98.7Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-65.1-44.6176.600000110.5C98 Q99 K100 F106 V115 L268 F270 L317C98-A102 WeakPolarHBondContact O-CB 3.35Å; C98-A102 PolarHBondContact O-N 3.28Å; Q99-A102 WeakPolarHBondContact O-CB 3.31Å; Q99-A102 PolarHBondContact O-N 3.32Å; K100-A102 PolarHBondContact O-N 3.2Å; A102-F106 VanDerWaalsContact O-CD2 3.24Å; A102-F106 WeakPolarHBondContact O-CD2 3.47Å; A102-V115 HydrophobicContact CB-CG1 4.13Å; A102-V115 HydrophobicContact CB-CG2 4.18Å; A102-L268 HydrophobicContact CB-CD1 4.3Å; A102-F270 HydrophobicContact CB-CE1 3.9Å; A102-F270 HydrophobicContact CB-CZ 3.92Å; A102-L317 HydrophobicContact CB-CD1 3.73Å; A102-L317 HydrophobicContact CB-CD2 4.5Å
103L98.9Very high98.7Very high21 Ų2157.5 Ų57.511%0.1129%0.294CS..Hα-helixtrans-65.2-43.8174.8-61.5177.8000111.7Q99 K100 F106 G107 L108 W113 V115 F270Q99-L103 PolarHBondContact O-N 3.11Å; Q99-L103 VanDerWaalsContact O-N 3.13Å; K100-L103 PolarHBondContact O-N 3.23Å; L103-F106 PolarHBondContact O-N 3.46Å; L103-G107 PolarHBondContact O-N 3.42Å; L103-L108 HydrophobicContact CB-CB 4.29Å; L103-L108 HydrophobicContact CD2-CB 4.1Å; L103-L108 HydrophobicContact CD2-CD1 3.98Å; L103-L108 PolarHBondContact O-N 2.78Å; L103-W113 HydrophobicContact CD2-CB 4Å; L103-V115 HydrophobicContact CD2-CB 4.26Å; L103-V115 HydrophobicContact CD2-CG1 4.16Å; L103-V115 HydrophobicContact CG-CG1 4.12Å; L103-F270 HydrophobicContact CD2-CD1 4.13Å; L103-F270 HydrophobicContact CD2-CE1 4.3Å
104E98.9Very high98.7Very high94 Ų9451.7 Ų51.744%0.43927%0.268SS..Hα-helixtrans-61-45.1178.3-70.1171.9160.700112.4K100 R101 F106 G107 M321K100-E104 WeakPolarHBondContact CE-OE1 3.28Å; K100-E104 HydrophobicContact CG-CG 4.42Å; K100-E104 IonicContact NZ-OE1 3.24Å; K100-E104 WeakPolarHBondContact O-CG 3.48Å; K100-E104 PolarHBondContact O-N 3.47Å; R101-E104 PolarHBondContact O-N 3.44Å; E104-F106 PolarHBondContact O-N 2.85Å; E104-F106 VanDerWaalsContact O-N 3.13Å; E104-G107 PolarHBondContact O-N 2.95Å; E104-M321 HydrophobicContact CB-CE 4.48Å; E104-M321 HydrophobicContact CB-SD 3.61Å
105A98.8Very high98.7Very high7 Ų751 Ų516%0.05827%0.265CS..Hα-helixtrans-63.1-21-177.700000114R101 A239 L317 M321R101-A105 WeakPolarHBondContact O-CB 3.27Å; R101-A105 PolarHBondContact O-N 3.48Å; A105-A239 WeakPolarHBondContact O-CA 3.38Å; A105-L317 HydrophobicContact CB-CD2 4.03Å; A105-M321 HydrophobicContact CB-CG 3.84Å; A105-M321 HydrophobicContact CB-SD 4.2Å
106F98.9Very high98.7Very high20 Ų2050.9 Ų50.99%0.08826%0.264CS..THydrogen-bonded Turntrans-111.311.6176.4-64.6-71.3000112.8A102 L103 E104 L108 M231 S235 V238 A239 F247 F270A102-F106 VanDerWaalsContact O-CD2 3.24Å; A102-F106 WeakPolarHBondContact O-CD2 3.47Å; L103-F106 PolarHBondContact O-N 3.46Å; E104-F106 PolarHBondContact O-N 2.85Å; E104-F106 VanDerWaalsContact O-N 3.13Å; F106-L108 VanDerWaalsContact C-N 3.29Å; F106-L108 HydrophobicContact CB-CD1 3.95Å; F106-L108 HydrophobicContact CB-CD2 4.28Å; F106-L108 HydrophobicContact CB-CG 3.79Å; F106-L108 WeakPolarHBondContact O-CD2 3.31Å; F106-L108 PolarHBondContact O-N 3.15Å; F106-M231 HydrophobicContact CD1-CE 4.17Å; F106-M231 HydrophobicContact CD2-CE 4.41Å; F106-M231 HydrophobicContact CE1-CE 3.56Å; F106-M231 HydrophobicContact CE1-SD 4.11Å; F106-M231 HydrophobicContact CE2-CE 3.89Å; F106-M231 HydrophobicContact CZ-CE 3.43Å; F106-M231 VanDerWaalsContact CZ-CE 3.43Å; F106-M231 HydrophobicContact CZ-SD 4.5Å; F106-S235 WeakPolarHBondContact CE1-O 3.33Å; F106-V238 HydrophobicContact CD1-CG1 3.89Å; F106-V238 HydrophobicContact CE1-CB 4.27Å; F106-V238 HydrophobicContact CE1-CG1 4.12Å; F106-A239 HydrophobicContact CD1-CB 4.16Å; F106-A239 HydrophobicContact CE1-CB 3.73Å; F106-A239 HydrophobicContact CZ-CB 4.22Å; F106-F247 HydrophobicContact CB-CD2 4.23Å; F106-F247 HydrophobicContact CB-CE2 3.73Å; F106-F247 HydrophobicContact CB-CZ 4.11Å; F106-F247 HydrophobicContact CD1-CD2 4.48Å; F106-F247 AromaticContact CD1-CE2 3.64Å; F106-F247 HydrophobicContact CD1-CE2 3.64Å; F106-F247 HydrophobicContact CD1-CZ 4.35Å; F106-F247 HydrophobicContact CD2-CE2 4.33Å; F106-F247 HydrophobicContact CD2-CZ 4.25Å; F106-F247 HydrophobicContact CE1-CE2 4.34Å; F106-F247 AromaticContact CG-CE2 3.64Å; F106-F247 HydrophobicContact CG-CE2 3.64Å; F106-F247 AromaticContact CG-CZ 3.99Å; F106-F247 HydrophobicContact CG-CZ 3.99Å; F106-F270 HydrophobicContact CD2-CE1 4.01Å; F106-F270 HydrophobicContact CD2-CE2 4.19Å; F106-F270 AromaticContact CD2-CZ 3.52Å; F106-F270 HydrophobicContact CD2-CZ 3.52Å; F106-F270 HydrophobicContact CE2-CE2 4.05Å; F106-F270 AromaticContact CE2-CZ 3.63Å; F106-F270 HydrophobicContact CE2-CZ 3.63Å
107G98.6Very high98.7Very high71 Ų7144.5 Ų44.573%0.73224%0.241SC*.THydrogen-bonded Turntrans63.530.4177.200000114.1L103 E104L103-G107 PolarHBondContact O-N 3.42Å; E104-G107 PolarHBondContact O-N 2.95Å
108L98.9Very high98.7Very high22 Ų2241.8 Ų41.812%0.11523%0.227CC..  trans-91.8131-171.1-53.7178.8000111.8L103 F106 S110 W113 F247 F270L103-L108 HydrophobicContact CB-CB 4.29Å; L103-L108 HydrophobicContact CD2-CB 4.1Å; L103-L108 HydrophobicContact CD2-CD1 3.98Å; L103-L108 PolarHBondContact O-N 2.78Å; F106-L108 VanDerWaalsContact C-N 3.29Å; F106-L108 HydrophobicContact CB-CD1 3.95Å; F106-L108 HydrophobicContact CB-CD2 4.28Å; F106-L108 HydrophobicContact CB-CG 3.79Å; F106-L108 WeakPolarHBondContact O-CD2 3.31Å; F106-L108 PolarHBondContact O-N 3.15Å; L108-S110 PolarHBondContact O-N 2.69Å; L108-W113 HydrophobicContact CB-CB 4.03Å; L108-W113 HydrophobicContact CB-CG 4.11Å; L108-W113 HydrophobicContact CD1-CB 4.22Å; L108-W113 HydrophobicContact CD1-CD2 4.32Å; L108-W113 HydrophobicContact CD1-CG 4.11Å; L108-W113 HydrophobicContact CD2-CG 4.33Å; L108-W113 HydrophobicContact CG-CG 4.41Å; L108-F247 HydrophobicContact CD1-CD1 3.65Å; L108-F247 HydrophobicContact CD1-CE1 3.43Å; L108-F247 VanDerWaalsContact CD1-CE1 3.43Å; L108-F247 HydrophobicContact CD1-CG 4.31Å; L108-F247 HydrophobicContact CD1-CZ 3.92Å; L108-F247 HydrophobicContact CD2-CB 3.71Å; L108-F247 HydrophobicContact CD2-CD1 3.63Å; L108-F247 HydrophobicContact CD2-CD2 4.18Å; L108-F247 HydrophobicContact CD2-CE1 4.24Å; L108-F247 HydrophobicContact CD2-CG 3.58Å; L108-F247 HydrophobicContact CG-CD1 4.29Å; L108-F247 HydrophobicContact CG-CE1 4.44Å; L108-F270 HydrophobicContact CD1-CD1 3.71Å; L108-F270 HydrophobicContact CD1-CE1 4.04Å
109N98.4Very high98.7Very high83 Ų8341.9 Ų41.944%0.44423%0.227SC..  trans-70.8122.6169.6-177.8-28.1000110D111 K112 W113N109-D111 PolarHBondContact O-N 2.93Å; N109-D111 WeakPolarHBondContact OD1-CB 3.5Å; N109-D111 PolarHBondContact OD1-N 2.92Å; N109-K112 PolarHBondContact O-N 3Å; N109-W113 PolarHBondContact O-N 3.26Å
110S97.9Very high98.7Very high66 Ų6643.3 Ų43.346%0.46223%0.231SC..THydrogen-bonded Turntrans-62.5-17.7-179.854.50000114.8L108 W113 K273L108-S110 PolarHBondContact O-N 2.69Å; S110-W113 CarbonylContact C-O 3.17Å; S110-W113 VanDerWaalsContact O-O 3.1Å; S110-K273 WeakPolarHBondContact O-CE 3.45Å; S110-K273 PolarHBondContact O-NZ 3.34Å
111D97.7Very high98.7Very high120 Ų12039.5 Ų39.564%0.64222%0.22SC*.THydrogen-bonded Turntrans-78.5-27.6174.3-59.2-26.8000111.4N109N109-D111 PolarHBondContact O-N 2.93Å; N109-D111 WeakPolarHBondContact OD1-CB 3.5Å; N109-D111 PolarHBondContact OD1-N 2.92Å
112K98.3Very high98.7Very high131 Ų13137.7 Ų37.757%0.5722%0.216SC*.THydrogen-bonded Turntrans-101.1-17.6-178-63.3-170.9178.3-176.50113.6N109 R272 K273N109-K112 PolarHBondContact O-N 3Å; K112-R272 CarbonylContact O-C 3.55Å; K112-R272 WeakPolarHBondContact O-CA 3.1Å; K112-K273 PolarHBondContact O-N 3.37Å
113W98.9Very high98.7Very high9 Ų940.4 Ų40.43%0.03424%0.235CC..EExtended strand (participates in β ladder)trans-136.3139.2-176.8-73.899.4000111.9L103 L108 N109 S110 F247 V253 F270 Y271 R272 K273L103-W113 HydrophobicContact CD2-CB 4Å; L108-W113 HydrophobicContact CB-CB 4.03Å; L108-W113 HydrophobicContact CB-CG 4.11Å; L108-W113 HydrophobicContact CD1-CB 4.22Å; L108-W113 HydrophobicContact CD1-CD2 4.32Å; L108-W113 HydrophobicContact CD1-CG 4.11Å; L108-W113 HydrophobicContact CD2-CG 4.33Å; L108-W113 HydrophobicContact CG-CG 4.41Å; N109-W113 PolarHBondContact O-N 3.26Å; S110-W113 CarbonylContact C-O 3.17Å; S110-W113 VanDerWaalsContact O-O 3.1Å; W113-F247 HydrophobicContact CD2-CD1 4.22Å; W113-F247 AromaticContact CE2-CD1 3.93Å; W113-F247 HydrophobicContact CE3-CD1 4.19Å; W113-F247 HydrophobicContact CE3-CE1 4.41Å; W113-F247 AromaticContact CH2-CD1 3.69Å; W113-F247 HydrophobicContact CH2-CD1 3.69Å; W113-F247 HydrophobicContact CH2-CE1 4.39Å; W113-F247 HydrophobicContact CZ2-CB 4Å; W113-F247 AromaticContact CZ2-CD1 3.64Å; W113-F247 HydrophobicContact CZ2-CD1 3.64Å; W113-F247 HydrophobicContact CZ2-CG 4.33Å; W113-F247 WeakPolarHBondContact CZ2-O 3.35Å; W113-F247 AromaticContact CZ3-CD1 3.95Å; W113-F247 HydrophobicContact CZ3-CD1 3.95Å; W113-F247 HydrophobicContact CZ3-CE1 4.25Å; W113-V253 HydrophobicContact CH2-CG2 4.12Å; W113-V253 HydrophobicContact CZ3-CG2 4.46Å; W113-F270 HydrophobicContact CE3-CB 4.04Å; W113-F270 HydrophobicContact CZ3-CB 4.09Å; W113-Y271 WeakPolarHBondContact CA-O 3.38Å; W113-Y271 VanDerWaalsContact CE3-O 3.27Å; W113-R272 HydrophobicContact CD2-CG 4.31Å; W113-R272 HydrophobicContact CE3-CG 4.25Å; W113-R272 HydrophobicContact CH2-CG 3.66Å; W113-R272 HydrophobicContact CZ2-CG 3.76Å; W113-R272 HydrophobicContact CZ3-CG 3.93Å; W113-K273 WeakPolarHBondContact O-CE 3.37Å
114G98.8Very high98.7Very high6 Ų641.8 Ų41.86%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-117.9172162.900000110.6F270 Y271G114-F270 WeakPolarHBondContact O-CA 3.48Å; G114-Y271 VanDerWaalsContact CA-CE2 3.49Å; G114-Y271 PolarHBondContact N-O 3.36Å; G114-Y271 PolarHBondContact O-N 2.91Å
115V98.9Very high98.7Very high7 Ų737.3 Ų37.34%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-145.7136.3179.161.80000110.8Q99 A102 L103 L268 I269 F270Q99-V115 HydrophobicContact CB-CG1 3.76Å; Q99-V115 HydrophobicContact CG-CG1 4.01Å; Q99-V115 WeakPolarHBondContact O-CG1 3.47Å; A102-V115 HydrophobicContact CB-CG1 4.13Å; A102-V115 HydrophobicContact CB-CG2 4.18Å; L103-V115 HydrophobicContact CD2-CB 4.26Å; L103-V115 HydrophobicContact CD2-CG1 4.16Å; L103-V115 HydrophobicContact CG-CG1 4.12Å; V115-L268 HydrophobicContact CG2-CB 4.38Å; V115-I269 CarbonylContact C-O 3.54Å; V115-I269 VanDerWaalsContact CA-O 3.31Å; V115-I269 WeakPolarHBondContact CA-O 3.37Å; V115-F270 HydrophobicContact CB-CD1 3.7Å; V115-F270 HydrophobicContact CB-CE1 3.89Å; V115-F270 HydrophobicContact CB-CG 4.36Å; V115-F270 HydrophobicContact CG2-CD1 3.67Å; V115-F270 HydrophobicContact CG2-CD2 4.36Å; V115-F270 HydrophobicContact CG2-CE1 3.6Å; V115-F270 HydrophobicContact CG2-CE2 4.29Å; V115-F270 HydrophobicContact CG2-CG 4.06Å; V115-F270 HydrophobicContact CG2-CZ 3.93Å
116N98.9Very high98.7Very high0 Ų037 Ų370%022%0.222CC..EExtended strand (participates in β ladder)trans-102.1123166.7-167.7-50.5000109.1Y79 Q118 P119 I269 Y271 N294Y79-N116 WeakPolarHBondContact CE1-ND2 3.38Å; Y79-N116 PolarHBondContact OH-ND2 2.93Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.29Å; N116-Q118 PolarHBondContact OD1-N 3.15Å; N116-P119 WeakPolarHBondContact OD1-CD 3.14Å; N116-I269 HydrophobicContact CB-CB 4.43Å; N116-I269 PolarHBondContact N-O 2.81Å; N116-I269 PolarHBondContact O-N 3.19Å; N116-Y271 HydrophobicContact CB-CE1 4.28Å; N116-N294 PolarHBondContact ND2-OD1 2.88Å
117A98.8Very high98.7Very high4 Ų438.3 Ų38.33%0.03323%0.227CC..  trans-104.17.1-175.200000114.1Q99 L268Q99-A117 HydrophobicContact CG-CB 4.4Å; A117-L268 HydrophobicContact CB-CD2 3.79Å
118Q98.9Very high98.7Very high4 Ų435.1 Ų35.12%0.01919%0.194CC..  trans-92.5-14.5-175.3-57.6-1733.500116.7G78 Y79 E95 N116 Y120 V297 Q302 P305 I310G78-Q118 PolarHBondContact O-NE2 3.48Å; G78-Q118 VanDerWaalsContact O-NE2 3.12Å; Y79-Q118 VanDerWaalsContact CD1-NE2 3.34Å; Y79-Q118 HydrophobicContact CE1-CG 4.32Å; Y79-Q118 VanDerWaalsContact CE1-NE2 3.29Å; E95-Q118 WeakPolarHBondContact OE1-CG 3.5Å; E95-Q118 PolarHBondContact OE1-NE2 3.18Å; E95-Q118 PolarHBondContact OE2-NE2 3.45Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.29Å; N116-Q118 PolarHBondContact OD1-N 3.15Å; Q118-Y120 PolarHBondContact O-N 2.76Å; Q118-V297 HydrophobicContact CB-CG1 4.08Å; Q118-Q302 PolarHBondContact O-NE2 3.33Å; Q118-P305 HydrophobicContact CB-CB 4.31Å; Q118-P305 HydrophobicContact CG-CB 3.98Å; Q118-I310 HydrophobicContact CG-CD1 4.39Å
119P98.9Very high98.7Very high2 Ų234 Ų341%0.01319%0.188CC..  trans-57.2129.2179.6-25.833.2000112.8N116 S121 A125 G267 I269 V297N116-P119 WeakPolarHBondContact OD1-CD 3.14Å; P119-S121 PolarHBondContact O-N 3.26Å; P119-S121 VanDerWaalsContact O-N 3.15Å; P119-A125 HydrophobicContact CB-CB 3.65Å; P119-A125 HydrophobicContact CG-CB 4.02Å; P119-G267 WeakPolarHBondContact CD-O 3.08Å; P119-G267 PolarHBondContact O-N 3.33Å; P119-I269 HydrophobicContact CG-CD1 3.61Å; P119-I269 HydrophobicContact CG-CG1 3.84Å; P119-V297 HydrophobicContact CG-CG2 4.42Å
120Y98.9Very high98.8Very high75 Ų7530.1 Ų30.129%0.29417%0.167SC..SBendtrans-64.7-23.8-175.3-59-38.8000113.8Q118 A266 Q302 G304 H306Q118-Y120 PolarHBondContact O-N 2.76Å; Y120-A266 WeakPolarHBondContact O-CA 3.33Å; Y120-Q302 HydrophobicContact CD2-CG 4.01Å; Y120-Q302 VanDerWaalsContact CD2-OE1 3.28Å; Y120-Q302 HydrophobicContact CE2-CB 3.86Å; Y120-Q302 HydrophobicContact CE2-CG 3.62Å; Y120-G304 PolarHBondContact OH-O 3.03Å; Y120-H306 AromaticContact CD1-CD2 3.89Å; Y120-H306 AromaticContact CD1-CE1 3.92Å; Y120-H306 AromaticContact CD1-CG 3.91Å; Y120-H306 AromaticContact CD1-ND1 3.93Å; Y120-H306 AromaticContact CD1-NE2 3.9Å; Y120-H306 AromaticContact CE1-CD2 3.44Å; Y120-H306 VanDerWaalsContact CE1-CD2 3.44Å; Y120-H306 WeakPolarHBondContact CE1-CD2 3.4Å; Y120-H306 AromaticContact CE1-CG 3.9Å; Y120-H306 AromaticContact CE1-NE2 3.56Å; Y120-H306 AromaticContact CZ-NE2 3.96Å
121S98.9Very high98.8Very high39 Ų3929.5 Ų29.527%0.27316%0.161SC..SBendtrans-165.3-175.6175.6-166.10000110.4P119 P124 A125P119-S121 PolarHBondContact O-N 3.26Å; P119-S121 VanDerWaalsContact O-N 3.15Å; S121-P124 WeakPolarHBondContact O-CD 3.43Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 3.27Å; S121-A125 VanDerWaalsContact O-N 3.09Å
122G98.7Very high98.9Very high10 Ų1024.2 Ų24.210%0.10313%0.134CC..Hα-helixtrans-66.4-41.3178.900000113.9A125 N126G122-A125 WeakPolarHBondContact O-CB 3.34Å; G122-A125 PolarHBondContact O-N 3.4Å; G122-N126 PolarHBondContact O-N 3.47Å
123S98.9Very high98.9Very high58 Ų5818.7 Ų18.741%0.40611%0.111SC..Hα-helixtrans-64.4-47.8179.4-490000112.9A125 N126 F127 T152S123-A125 VanDerWaalsContact C-N 3.31Å; S123-A125 PolarHBondContact O-N 3.01Å; S123-N126 PolarHBondContact O-N 2.65Å; S123-F127 PolarHBondContact O-N 2.74Å; S123-T152 VanDerWaalsContact CB-CG2 3.44Å; S123-T152 WeakPolarHBondContact OG-CG2 3.47Å
124P98.8Very high98.9Very high49 Ų4918.2 Ų18.232%0.31811%0.11SC..Hα-helixtrans-59.8-37.5170.5-24.635.1000113.4S121 F127 A128S121-P124 WeakPolarHBondContact O-CD 3.43Å; P124-F127 PolarHBondContact O-N 3.19Å; P124-A128 WeakPolarHBondContact O-CB 3.43Å; P124-A128 PolarHBondContact O-N 3.48Å
125A98.9Very high98.8Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-60-48.7177.600000111.9P119 S121 G122 S123 A128 V129 I269P119-A125 HydrophobicContact CB-CB 3.65Å; P119-A125 HydrophobicContact CG-CB 4.02Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 3.27Å; S121-A125 VanDerWaalsContact O-N 3.09Å; G122-A125 WeakPolarHBondContact O-CB 3.34Å; G122-A125 PolarHBondContact O-N 3.4Å; S123-A125 VanDerWaalsContact C-N 3.31Å; S123-A125 PolarHBondContact O-N 3.01Å; A125-A128 PolarHBondContact O-N 2.73Å; A125-V129 PolarHBondContact O-N 3.27Å; A125-V129 VanDerWaalsContact O-N 3.16Å; A125-I269 HydrophobicContact CB-CD1 4.26Å; A125-I269 HydrophobicContact CB-CG1 3.85Å; A125-I269 WeakPolarHBondContact O-CD1 3.34Å
126N98.9Very high98.8Very high1 Ų127.6 Ų27.61%0.00516%0.16CC..Hα-helixtrans-62-45.5176.6-727.6000111.6G122 S123 A128 V129 Y130 T152 M228 D230 T254G122-N126 PolarHBondContact O-N 3.47Å; S123-N126 PolarHBondContact O-N 2.65Å; N126-A128 VanDerWaalsContact C-N 3.32Å; N126-A128 PolarHBondContact O-N 3.35Å; N126-V129 WeakPolarHBondContact O-CB 3.36Å; N126-V129 PolarHBondContact O-N 3.46Å; N126-V129 VanDerWaalsContact O-N 3.17Å; N126-Y130 HydrophobicContact CB-CE2 3.94Å; N126-Y130 WeakPolarHBondContact O-CD1 3.36Å; N126-Y130 VanDerWaalsContact O-CD2 3.24Å; N126-Y130 WeakPolarHBondContact O-CD2 3.48Å; N126-Y130 WeakPolarHBondContact O-CE2 3.38Å; N126-Y130 PolarHBondContact O-N 2.74Å; N126-T152 PolarHBondContact ND2-OG1 3.21Å; N126-M228 HydrophobicContact CB-CE 4.06Å; N126-M228 VanDerWaalsContact OD1-CE 3.24Å; N126-M228 WeakPolarHBondContact OD1-CE 3.46Å; N126-D230 PolarHBondContact ND2-OD2 3.42Å; N126-T254 VanDerWaalsContact OD1-CB 3.27Å; N126-T254 WeakPolarHBondContact OD1-CB 3.39Å; N126-T254 PolarHBondContact OD1-OG1 3.1Å
127F98.9Very high98.8Very high47 Ų4733.4 Ų33.421%0.20619%0.187CC..Hα-helixtrans-63-38.6-179.6-161.7-96.9000112.3S123 P124 V129 Y130 T131 A164 F168 F169 L301S123-F127 PolarHBondContact O-N 2.74Å; P124-F127 PolarHBondContact O-N 3.19Å; F127-V129 VanDerWaalsContact C-N 3.35Å; F127-V129 PolarHBondContact O-N 2.9Å; F127-Y130 HydrophobicContact CD2-CD2 4.49Å; F127-Y130 PolarHBondContact O-N 3.37Å; F127-T131 PolarHBondContact O-N 3.29Å; F127-T131 PolarHBondContact O-OG1 2.94Å; F127-T131 VanDerWaalsContact O-OG1 3.06Å; F127-A164 HydrophobicContact CE2-CB 4.12Å; F127-F168 HydrophobicContact CE2-CB 4.44Å; F127-F168 AromaticContact CE2-CD2 3.8Å; F127-F168 HydrophobicContact CE2-CD2 3.8Å; F127-F168 HydrophobicContact CE2-CG 4.49Å; F127-F168 HydrophobicContact CZ-CB 4.25Å; F127-F168 AromaticContact CZ-CD2 3.53Å; F127-F168 HydrophobicContact CZ-CD2 3.53Å; F127-F168 HydrophobicContact CZ-CE2 4.15Å; F127-F168 HydrophobicContact CZ-CG 4.07Å; F127-F169 HydrophobicContact CD2-CE2 4.14Å; F127-F169 HydrophobicContact CE2-CD2 4.43Å; F127-F169 AromaticContact CE2-CE2 3.68Å; F127-F169 HydrophobicContact CE2-CE2 3.68Å; F127-F169 HydrophobicContact CZ-CE2 4.09Å; F127-L301 HydrophobicContact CD1-CD1 4.05Å; F127-L301 HydrophobicContact CD1-CD2 4.22Å; F127-L301 HydrophobicContact CE1-CD2 4.15Å
128A98.9Very high98.8Very high4 Ų433.6 Ų33.63%0.03319%0.189CC..Hα-helixtrans-62.5-39.517400000112.6P124 A125 N126 T131 A132 I269 A296 V297 L301P124-A128 WeakPolarHBondContact O-CB 3.43Å; P124-A128 PolarHBondContact O-N 3.48Å; A125-A128 PolarHBondContact O-N 2.73Å; N126-A128 VanDerWaalsContact C-N 3.32Å; N126-A128 PolarHBondContact O-N 3.35Å; A128-T131 PolarHBondContact O-N 3.26Å; A128-A132 VanDerWaalsContact O-CB 3.28Å; A128-A132 WeakPolarHBondContact O-CB 3.42Å; A128-A132 PolarHBondContact O-N 3.46Å; A128-I269 HydrophobicContact CB-CD1 4.1Å; A128-A296 WeakPolarHBondContact O-CB 3.29Å; A128-V297 HydrophobicContact CB-CG2 3.82Å; A128-L301 VanDerWaalsContact CA-CD1 3.47Å; A128-L301 HydrophobicContact CB-CD1 3.79Å
129V98.9Very high98.8Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-61.2-47.3173.1170.70000111A125 N126 F127 T131 A132 V133 L199 M228 I252 T254 I269A125-V129 PolarHBondContact O-N 3.27Å; A125-V129 VanDerWaalsContact O-N 3.16Å; N126-V129 WeakPolarHBondContact O-CB 3.36Å; N126-V129 PolarHBondContact O-N 3.46Å; N126-V129 VanDerWaalsContact O-N 3.17Å; F127-V129 VanDerWaalsContact C-N 3.35Å; F127-V129 PolarHBondContact O-N 2.9Å; V129-T131 PolarHBondContact O-N 3.45Å; V129-A132 WeakPolarHBondContact O-CB 3.47Å; V129-A132 PolarHBondContact O-N 3.43Å; V129-A132 VanDerWaalsContact O-N 3.14Å; V129-V133 HydrophobicContact CG1-CG2 4.28Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å; V129-L199 HydrophobicContact CG1-CD1 4.08Å; V129-M228 HydrophobicContact CB-SD 4.15Å; V129-M228 HydrophobicContact CG1-SD 3.63Å; V129-I252 HydrophobicContact CG1-CD1 3.72Å; V129-I252 HydrophobicContact CG1-CG2 4.01Å; V129-I252 HydrophobicContact CG2-CG2 3.81Å; V129-T254 HydrophobicContact CG2-CG2 3.69Å; V129-I269 HydrophobicContact CG2-CD1 4.15Å; V129-I269 HydrophobicContact CG2-CG1 4.17Å; V129-I269 HydrophobicContact CG2-CG2 3.55Å
130Y98.9Very high98.8Very high0 Ų038.3 Ų38.30%021%0.206CC..Hα-helixtrans-63.1-44.5-179.6-48.4-33.1000111.6N126 F127 A132 V133 V134 E135 I140 T152 T165 F169 L199 I201 M228N126-Y130 HydrophobicContact CB-CE2 3.94Å; N126-Y130 WeakPolarHBondContact O-CD1 3.36Å; N126-Y130 VanDerWaalsContact O-CD2 3.24Å; N126-Y130 WeakPolarHBondContact O-CD2 3.48Å; N126-Y130 WeakPolarHBondContact O-CE2 3.38Å; N126-Y130 PolarHBondContact O-N 2.74Å; F127-Y130 HydrophobicContact CD2-CD2 4.49Å; F127-Y130 PolarHBondContact O-N 3.37Å; Y130-A132 PolarHBondContact O-N 3.34Å; Y130-V133 PolarHBondContact O-N 3.35Å; Y130-V134 WeakPolarHBondContact O-CA 3.41Å; Y130-V134 WeakPolarHBondContact O-CB 3.31Å; Y130-V134 PolarHBondContact O-N 2.92Å; Y130-E135 PolarHBondContact O-N 3.43Å; Y130-I140 HydrophobicContact CD1-CD1 3.83Å; Y130-I140 HydrophobicContact CD2-CD1 4.12Å; Y130-I140 HydrophobicContact CE1-CD1 4.33Å; Y130-I140 HydrophobicContact CG-CD1 3.73Å; Y130-T152 WeakPolarHBondContact CE2-O 3.28Å; Y130-T152 PolarHBondContact OH-O 3.02Å; Y130-T165 HydrophobicContact CD2-CG2 4.06Å; Y130-T165 HydrophobicContact CE2-CG2 3.85Å; Y130-F169 VanDerWaalsContact CB-CE2 3.45Å; Y130-F169 HydrophobicContact CD2-CD2 4.35Å; Y130-F169 HydrophobicContact CD2-CE2 4.1Å; Y130-F169 HydrophobicContact CG-CE2 4.26Å; Y130-L199 HydrophobicContact CD1-CD1 4.49Å; Y130-L199 HydrophobicContact CD1-CD2 4.4Å; Y130-L199 HydrophobicContact CE1-CD2 4.17Å; Y130-I201 HydrophobicContact CE1-CD1 3.9Å; Y130-I201 HydrophobicContact CE1-CG1 4.39Å; Y130-I201 WeakPolarHBondContact OH-CD1 3.46Å; Y130-M228 HydrophobicContact CD1-SD 4.37Å; Y130-M228 HydrophobicContact CE1-CE 4.12Å; Y130-M228 HydrophobicContact CE1-SD 3.66Å
131T98.9Very high98.8Very high53 Ų5334.7 Ų34.733%0.32519%0.192SC..Hα-helixtrans-57.9-38.9174.4-620000111.6F127 A128 V129 A296 L301F127-T131 PolarHBondContact O-N 3.29Å; F127-T131 PolarHBondContact O-OG1 2.94Å; F127-T131 VanDerWaalsContact O-OG1 3.06Å; A128-T131 PolarHBondContact O-N 3.26Å; V129-T131 PolarHBondContact O-N 3.45Å; T131-A296 HydrophobicContact CG2-CB 4.33Å; T131-L301 HydrophobicContact CG2-CD1 4.4Å
132A98.8Very high98.8Very high10 Ų1033 Ų338%0.08318%0.181CC..Hα-helixtrans-70.3-40.3-178.800000114.3A128 V129 Y130 L292 I293 A296A128-A132 VanDerWaalsContact O-CB 3.28Å; A128-A132 WeakPolarHBondContact O-CB 3.42Å; A128-A132 PolarHBondContact O-N 3.46Å; V129-A132 WeakPolarHBondContact O-CB 3.47Å; V129-A132 PolarHBondContact O-N 3.43Å; V129-A132 VanDerWaalsContact O-N 3.14Å; Y130-A132 PolarHBondContact O-N 3.34Å; A132-L292 HydrophobicContact CB-CB 4.11Å; A132-L292 WeakPolarHBondContact CB-O 3.48Å; A132-I293 HydrophobicContact CB-CG1 3.96Å; A132-A296 HydrophobicContact CB-CB 3.69Å
133V98.6Very high98.8Very high14 Ų1432.6 Ų32.69%0.08518%0.176CC..Hα-helixtrans-125.3-15.9-166.9-49.10000115.3V129 Y130 L199 Y226 I252 L289V129-V133 HydrophobicContact CG1-CG2 4.28Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å; Y130-V133 PolarHBondContact O-N 3.35Å; V133-L199 HydrophobicContact CG2-CD1 3.65Å; V133-Y226 HydrophobicContact CB-CD2 3.97Å; V133-Y226 HydrophobicContact CB-CE2 3.9Å; V133-Y226 HydrophobicContact CG1-CE2 4.38Å; V133-Y226 HydrophobicContact CG2-CD2 3.95Å; V133-Y226 HydrophobicContact CG2-CE2 4.4Å; V133-I252 HydrophobicContact CG1-CD1 4.13Å; V133-I252 HydrophobicContact CG2-CD1 4.18Å; V133-L289 HydrophobicContact CG1-CD2 3.73Å
134V98.8Very high98.8Very high0 Ų031 Ų310%016%0.163CC..THydrogen-bonded Turntrans-98.6-40.1-179.3-178.20000110.7Y130 G138 I140 F169 K198 L199Y130-V134 WeakPolarHBondContact O-CA 3.41Å; Y130-V134 WeakPolarHBondContact O-CB 3.31Å; Y130-V134 PolarHBondContact O-N 2.92Å; V134-G138 VanDerWaalsContact CG1-CA 3.5Å; V134-I140 HydrophobicContact CB-CD1 4.45Å; V134-I140 HydrophobicContact CB-CG1 4.47Å; V134-I140 HydrophobicContact CG1-CD1 4.05Å; V134-I140 HydrophobicContact CG1-CG1 3.77Å; V134-I140 HydrophobicContact CG2-CD1 4.12Å; V134-I140 HydrophobicContact CG2-CG1 4.04Å; V134-F169 HydrophobicContact CB-CD1 4.01Å; V134-F169 HydrophobicContact CB-CE1 4.04Å; V134-F169 HydrophobicContact CG1-CD1 3.62Å; V134-F169 HydrophobicContact CG1-CE1 4.16Å; V134-F169 HydrophobicContact CG1-CG 4.42Å; V134-K198 HydrophobicContact CG1-CB 4.42Å; V134-K198 VanDerWaalsContact O-CD 3.24Å; V134-K198 WeakPolarHBondContact O-CD 3.46Å; V134-K198 PolarHBondContact O-NZ 2.9Å; V134-L199 HydrophobicContact CG2-CB 3.68Å; V134-L199 HydrophobicContact CG2-CD1 3.97Å; V134-L199 HydrophobicContact CG2-CG 4.38Å
135E98.4Very high98.6Very high105 Ų10530.9 Ų30.949%0.49116%0.16SC..  trans65.7162.6-175.7-53.1158178.800112.9Y130 H137 G138 F169 K198Y130-E135 PolarHBondContact O-N 3.43Å; E135-H137 PolarHBondContact O-N 2.83Å; E135-G138 PolarHBondContact O-N 3.07Å; E135-F169 WeakPolarHBondContact O-CD1 3.5Å; E135-F169 VanDerWaalsContact O-CE1 3.25Å; E135-F169 WeakPolarHBondContact O-CE1 3.12Å; E135-K198 IonicContact OE2-NZ 3.39Å; E135-K198 PolarHBondContact OE2-NZ 3.46Å
136P98.8Very high98.4Very high104 Ų10432.5 Ų32.568%0.67517%0.17SC*.THydrogen-bonded Turntrans-51.9134.8-179.1-28.236.4000113.1G138P136-G138 PolarHBondContact O-N 2.91Å; P136-G138 VanDerWaalsContact O-N 3.1Å
137H98.8Very high98.3Very high123 Ų12333.2 Ų33.257%0.56917%0.174SC*.THydrogen-bonded Turntrans61.75.9-176-50.1-67.9000115.9E135 F168 E170E135-H137 PolarHBondContact O-N 2.83Å; H137-F168 PolarHBondContact N-O 3.26Å; H137-E170 HydrophobicContact CB-CG 4.35Å; H137-E170 IonicContact ND1-OE1 2.99Å; H137-E170 PolarHBondContact ND1-OE1 3.26Å; H137-E170 WeakPolarHBondContact O-CG 3.09Å
138G98.8Very high98.2Very high7 Ų731.1 Ų31.17%0.07217%0.165CC..  trans-63.2153.7169.500000111.5V134 E135 P136 F169 E170V134-G138 VanDerWaalsContact CG1-CA 3.5Å; E135-G138 PolarHBondContact O-N 3.07Å; P136-G138 PolarHBondContact O-N 2.91Å; P136-G138 VanDerWaalsContact O-N 3.1Å; G138-F169 WeakPolarHBondContact O-CB 3.47Å; G138-E170 PolarHBondContact O-N 3.37Å
139R98.9Very high98.1Very high105 Ų10531 Ų3140%0.39617%0.165SC..EExtended strand (participates in β ladder)trans-91.5130.6-169.8-67.8-175.5-174.1173.3-0.6112.3E170 F195 K198 L199R139-E170 CarbonylContact C-O 3.56Å; R139-E170 VanDerWaalsContact CA-O 3.26Å; R139-E170 WeakPolarHBondContact CA-O 3.48Å; R139-E170 HydrophobicContact CG-CB 4.25Å; R139-F195 HydrophobicContact CB-CD1 4.24Å; R139-F195 HydrophobicContact CB-CE1 3.63Å; R139-F195 HydrophobicContact CB-CZ 3.88Å; R139-F195 WeakPolarHBondContact CD-O 3.33Å; R139-F195 HydrophobicContact CG-CE1 4.1Å; R139-F195 HydrophobicContact CG-CE2 4.27Å; R139-F195 HydrophobicContact CG-CZ 3.84Å; R139-F195 PolarHBondContact NH1-O 2.87Å; R139-K198 PolarHBondContact O-N 3.2Å; R139-L199 PolarHBondContact O-N 3.42Å
140I98.9Very high98.1Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-124.5136.1-179.9-59.7177.5000109.7Y130 V134 T165 F169 E170 S171 M172 L199 I201Y130-I140 HydrophobicContact CD1-CD1 3.83Å; Y130-I140 HydrophobicContact CD2-CD1 4.12Å; Y130-I140 HydrophobicContact CE1-CD1 4.33Å; Y130-I140 HydrophobicContact CG-CD1 3.73Å; V134-I140 HydrophobicContact CB-CD1 4.45Å; V134-I140 HydrophobicContact CB-CG1 4.47Å; V134-I140 HydrophobicContact CG1-CD1 4.05Å; V134-I140 HydrophobicContact CG1-CG1 3.77Å; V134-I140 HydrophobicContact CG2-CD1 4.12Å; V134-I140 HydrophobicContact CG2-CG1 4.04Å; I140-T165 HydrophobicContact CD1-CG2 3.94Å; I140-F169 HydrophobicContact CD1-CB 3.74Å; I140-F169 HydrophobicContact CD1-CD1 4.29Å; I140-F169 HydrophobicContact CD1-CD2 4.11Å; I140-F169 HydrophobicContact CD1-CG 3.79Å; I140-F169 HydrophobicContact CG1-CB 4.29Å; I140-E170 PolarHBondContact N-O 3.04Å; I140-S171 VanDerWaalsContact O-CA 3.3Å; I140-S171 WeakPolarHBondContact O-CA 3.3Å; I140-M172 PolarHBondContact O-N 3.45Å; I140-L199 WeakPolarHBondContact CA-O 3.35Å; I140-L199 HydrophobicContact CG2-CD2 4.21Å; I140-I201 HydrophobicContact CG2-CD1 3.57Å; I140-I201 HydrophobicContact CG2-CG1 4.07Å
141M98.9Very high98Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-115.8126.5167.2-69.1-176.374.800111.2M172 Y174 L188 N191 A192 F195 P197 L199 I200 I201M141-M172 VanDerWaalsContact CA-O 3.32Å; M141-M172 WeakPolarHBondContact CA-O 3.26Å; M141-M172 HydrophobicContact CE-CE 3.58Å; M141-M172 WeakPolarHBondContact CG-O 3.5Å; M141-M172 HydrophobicContact SD-CE 4.02Å; M141-Y174 HydrophobicContact CB-CD1 4.39Å; M141-L188 HydrophobicContact CE-CD1 3.56Å; M141-L188 HydrophobicContact SD-CD1 4.27Å; M141-N191 HydrophobicContact CE-CB 4.08Å; M141-A192 HydrophobicContact SD-CB 4Å; M141-F195 HydrophobicContact CG-CD1 3.62Å; M141-F195 HydrophobicContact CG-CE1 3.96Å; M141-F195 HydrophobicContact SD-CB 4.39Å; M141-F195 HydrophobicContact SD-CD1 3.91Å; M141-P197 HydrophobicContact CB-CB 4.42Å; M141-P197 HydrophobicContact CG-CB 3.97Å; M141-P197 HydrophobicContact CG-CG 4.3Å; M141-P197 HydrophobicContact SD-CB 4.22Å; M141-P197 HydrophobicContact SD-CG 3.9Å; M141-L199 PolarHBondContact N-O 3.05Å; M141-I200 HydrophobicContact CB-CG1 4.47Å; M141-I200 CarbonylContact O-C 3.53Å; M141-I200 WeakPolarHBondContact O-CA 3.35Å; M141-I201 PolarHBondContact O-N 3.24Å
142G98.9Very high98Very high3 Ų335.6 Ų35.63%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-136.1164176.900000111.2D144 P173 Y174G142-D144 PolarHBondContact O-N 2.95Å; G142-P173 CarbonylContact O-C 3.5Å; G142-P173 WeakPolarHBondContact O-CA 3.09Å; G142-Y174 VanDerWaalsContact C-CD1 3.43Å; G142-Y174 WeakPolarHBondContact O-CD1 3.48Å; G142-Y174 PolarHBondContact O-N 3.32Å
143L98.8Very high98Very high1 Ų135.2 Ų35.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-63.5136.2176.3-178.560.9000109.4D147 G149 Y174 V176 I183 T204L143-D147 HydrophobicContact CD1-CB 4.03Å; L143-D147 HydrophobicContact CG-CB 4.45Å; L143-G149 WeakPolarHBondContact O-CA 3.48Å; L143-Y174 HydrophobicContact CB-CD2 4.31Å; L143-Y174 HydrophobicContact CB-CE2 3.62Å; L143-Y174 HydrophobicContact CD1-CD2 3.84Å; L143-Y174 HydrophobicContact CD1-CE2 3.71Å; L143-Y174 HydrophobicContact CG-CE2 4.22Å; L143-Y174 VanDerWaalsContact N-CE1 3.32Å; L143-Y174 VanDerWaalsContact N-CZ 3.31Å; L143-V176 HydrophobicContact CD1-CG1 4.22Å; L143-I183 HydrophobicContact CD1-CG1 4.19Å; L143-I183 HydrophobicContact CD2-CD1 4.42Å; L143-T204 HydrophobicContact CD2-CG2 3.72Å
144D97.6Very high98Very high25 Ų2535 Ų3513%0.13418%0.182CC..  trans-57.2140.1178.5-160.59.8000111G142 P146 D147 G148 G149 P173 Y174 K175G142-D144 PolarHBondContact O-N 2.95Å; D144-P146 VanDerWaalsContact CG-CD 3.43Å; D144-P146 VanDerWaalsContact OD1-CD 3.27Å; D144-P146 WeakPolarHBondContact OD1-CD 3.34Å; D144-D147 HydrophobicContact CB-CB 4.05Å; D144-D147 CarbonylContact O-C 3.55Å; D144-D147 PolarHBondContact O-N 2.87Å; D144-G148 PolarHBondContact O-N 3.39Å; D144-G149 PolarHBondContact O-N 3.45Å; D144-P173 HydrophobicContact CB-CB 3.71Å; D144-P173 HydrophobicContact CB-CG 4.49Å; D144-Y174 PolarHBondContact N-O 3.46Å; D144-K175 HydrophobicContact CB-CG 4.17Å; D144-K175 IonicContact OD2-NZ 3.96Å; D144-K175 PolarHBondContact OD2-NZ 3.25Å
145L94.9Very high97.9Very high47 Ų4736.7 Ų36.725%0.24619%0.19CC..G310 helixtrans-57.9-45.2-177179.971.5000111.9D147 G148 L151 F155L145-D147 PolarHBondContact O-N 3.49Å; L145-G148 PolarHBondContact O-N 2.99Å; L145-L151 HydrophobicContact CD1-CD2 4.39Å; L145-L151 HydrophobicContact CD1-CG 4.17Å; L145-L151 HydrophobicContact CD2-CD2 3.66Å; L145-L151 HydrophobicContact CD2-CG 4.28Å; L145-F155 HydrophobicContact CB-CD2 3.58Å; L145-F155 HydrophobicContact CB-CE2 3.91Å; L145-F155 HydrophobicContact CB-CG 4.14Å; L145-F155 HydrophobicContact CD2-CD1 3.69Å; L145-F155 HydrophobicContact CD2-CD2 3.78Å; L145-F155 HydrophobicContact CD2-CE1 3.72Å; L145-F155 HydrophobicContact CD2-CE2 3.81Å; L145-F155 HydrophobicContact CD2-CG 3.73Å; L145-F155 HydrophobicContact CD2-CZ 3.79Å; L145-F155 HydrophobicContact CG-CD2 4.34Å; L145-F155 HydrophobicContact CG-CE2 4.49Å
146P94.9Very high97.8Very high33 Ų3336 Ų3621%0.21419%0.188CC..G310 helixtrans-67-19.6178-2236.7000114.4D144 G148 T389D144-P146 VanDerWaalsContact CG-CD 3.43Å; D144-P146 VanDerWaalsContact OD1-CD 3.27Å; D144-P146 WeakPolarHBondContact OD1-CD 3.34Å; P146-G148 VanDerWaalsContact C-N 3.34Å; P146-T389 WeakPolarHBondContact CA-OG1 3.34Å; P146-T389 HydrophobicContact CB-CG2 4.26Å; P146-T389 WeakPolarHBondContact O-CB 3.35Å; P146-T389 PolarHBondContact O-OG1 2.93Å
147D96.8Very high97.6Very high17 Ų1734.3 Ų34.39%0.09118%0.176CC..G310 helixtrans-95.78.1-177.2-67.69.3000112L143 D144 L145 K175 V176L143-D147 HydrophobicContact CD1-CB 4.03Å; L143-D147 HydrophobicContact CG-CB 4.45Å; D144-D147 HydrophobicContact CB-CB 4.05Å; D144-D147 CarbonylContact O-C 3.55Å; D144-D147 PolarHBondContact O-N 2.87Å; L145-D147 PolarHBondContact O-N 3.49Å; D147-K175 IonicContact OD1-NZ 3.69Å; D147-K175 PolarHBondContact OD1-NZ 3.02Å; D147-K175 WeakPolarHBondContact OD2-CA 3.4Å; D147-K175 WeakPolarHBondContact OD2-CB 3.17Å; D147-K175 WeakPolarHBondContact OD2-CE 3.43Å; D147-K175 WeakPolarHBondContact OD2-CG 3.26Å; D147-K175 IonicContact OD2-NZ 2.89Å; D147-K175 PolarHBondContact OD2-NZ 3.11Å; D147-V176 HydrophobicContact CB-CG1 4.18Å; D147-V176 HydrophobicContact CB-CG2 3.91Å; D147-V176 PolarHBondContact OD2-N 2.77Å
148G96.7Very high97.3Very high2 Ų237.9 Ų37.92%0.02119%0.193CC..THydrogen-bonded Turntrans108.24.3175.200000115D144 L145 P146 S205 C206D144-G148 PolarHBondContact O-N 3.39Å; L145-G148 PolarHBondContact O-N 2.99Å; P146-G148 VanDerWaalsContact C-N 3.34Å; G148-S205 PolarHBondContact O-N 3.43Å; G148-C206 VanDerWaalsContact CA-O 3.29Å; G148-C206 WeakPolarHBondContact CA-O 3.38Å; G148-C206 PolarHBondContact O-N 2.95Å
149G97.6Very high97.1Very high3 Ų347 Ų473%0.03123%0.23CC..  trans-66.5-177.1172.600000113.7L143 D144L143-G149 WeakPolarHBondContact O-CA 3.48Å; D144-G149 PolarHBondContact O-N 3.45Å
150H98.4Very high97Very high57 Ų5748.5 Ų48.526%0.26424%0.24SC..  trans-119.4152175.6-172.9-107.3000111.1T152 H153 S205H150-T152 VanDerWaalsContact CE1-CG2 3.5Å; H150-T152 WeakPolarHBondContact CE1-CG2 3.49Å; H150-T152 PolarHBondContact ND1-N 3.06Å; H150-T152 PolarHBondContact ND1-OG1 3.38Å; H150-T152 PolarHBondContact O-N 3.01Å; H150-T152 VanDerWaalsContact O-N 3.08Å; H150-H153 PolarHBondContact N-ND1 3.22Å; H150-H153 WeakPolarHBondContact O-CB 3.36Å; H150-H153 PolarHBondContact O-N 3.08Å; H150-S205 WeakPolarHBondContact CB-OG 3.47Å; H150-S205 PolarHBondContact CD2-OG 3.13Å
151L97.5Very high96.9Very high78 Ų7852 Ų5241%0.40826%0.255SS..G310 helixtrans-52.2-37-179.9-77.4166.8000113L145 H153 G154 F155 S163L145-L151 HydrophobicContact CD1-CD2 4.39Å; L145-L151 HydrophobicContact CD1-CG 4.17Å; L145-L151 HydrophobicContact CD2-CD2 3.66Å; L145-L151 HydrophobicContact CD2-CG 4.28Å; L151-H153 PolarHBondContact O-N 3.22Å; L151-G154 PolarHBondContact O-N 2.92Å; L151-F155 HydrophobicContact CD2-CB 4.11Å; L151-F155 HydrophobicContact CD2-CD1 3.73Å; L151-F155 HydrophobicContact CD2-CG 4.19Å; L151-S163 WeakPolarHBondContact O-CB 3.28Å; L151-S163 PolarHBondContact O-OG 3.41Å
152T98.7Very high96.8Very high13 Ų1355.6 Ų55.68%0.0827%0.274CS..G310 helixtrans-74.1-7.9-177.661.90000113.3S123 N126 Y130 H150 T165S123-T152 VanDerWaalsContact CB-CG2 3.44Å; S123-T152 WeakPolarHBondContact OG-CG2 3.47Å; N126-T152 PolarHBondContact ND2-OG1 3.21Å; Y130-T152 WeakPolarHBondContact CE2-O 3.28Å; Y130-T152 PolarHBondContact OH-O 3.02Å; H150-T152 VanDerWaalsContact CE1-CG2 3.5Å; H150-T152 WeakPolarHBondContact CE1-CG2 3.49Å; H150-T152 PolarHBondContact ND1-N 3.06Å; H150-T152 PolarHBondContact ND1-OG1 3.38Å; H150-T152 PolarHBondContact O-N 3.01Å; H150-T152 VanDerWaalsContact O-N 3.08Å; T152-T165 PolarHBondContact O-OG1 3.29Å
153H98.8Very high96.8Very high2 Ų256 Ų561%0.00928%0.276CS..G310 helixtrans-84.9-2.7176.9-54.3167000112.8H150 L151 I201 G203 D230H150-H153 PolarHBondContact N-ND1 3.22Å; H150-H153 WeakPolarHBondContact O-CB 3.36Å; H150-H153 PolarHBondContact O-N 3.08Å; L151-H153 PolarHBondContact O-N 3.22Å; H153-I201 HydrophobicContact CB-CD1 3.78Å; H153-G203 PolarHBondContact CE1-O 3.23Å; H153-D230 IonicContact CD2-OD2 2.97Å; H153-D230 IonicContact CE1-OD2 2.87Å; H153-D230 IonicContact NE2-OD2 3.29Å; H153-D230 PolarHBondContact NE2-OD2 2.7Å
154G98.3Very high96.8Very high9 Ų958.1 Ų58.19%0.09329%0.293CS..  trans110120.6-174.900000109.8L151 S166L151-G154 PolarHBondContact O-N 2.92Å; G154-S166 WeakPolarHBondContact CA-OG 3.41Å
155F97.3Very high96.8Very high36 Ų3657 Ų5716%0.15829%0.288CS..  trans-145.7121.2174.1-176.1-121.5000110.5L145 L151 T157 I162 S163 S166L145-F155 HydrophobicContact CB-CD2 3.58Å; L145-F155 HydrophobicContact CB-CE2 3.91Å; L145-F155 HydrophobicContact CB-CG 4.14Å; L145-F155 HydrophobicContact CD2-CD1 3.69Å; L145-F155 HydrophobicContact CD2-CD2 3.78Å; L145-F155 HydrophobicContact CD2-CE1 3.72Å; L145-F155 HydrophobicContact CD2-CE2 3.81Å; L145-F155 HydrophobicContact CD2-CG 3.73Å; L145-F155 HydrophobicContact CD2-CZ 3.79Å; L145-F155 HydrophobicContact CG-CD2 4.34Å; L145-F155 HydrophobicContact CG-CE2 4.49Å; L151-F155 HydrophobicContact CD2-CB 4.11Å; L151-F155 HydrophobicContact CD2-CD1 3.73Å; L151-F155 HydrophobicContact CD2-CG 4.19Å; F155-T157 HydrophobicContact CZ-CG2 4.45Å; F155-I162 HydrophobicContact CD1-CB 3.69Å; F155-I162 HydrophobicContact CD1-CG1 3.91Å; F155-I162 HydrophobicContact CD1-CG2 3.95Å; F155-I162 HydrophobicContact CE1-CB 4.19Å; F155-I162 HydrophobicContact CE1-CG1 3.94Å; F155-I162 HydrophobicContact CE1-CG2 4.33Å; F155-I162 PolarHBondContact O-N 3.41Å; F155-S163 PolarHBondContact O-N 2.81Å; F155-S166 PolarHBondContact N-OG 2.81Å; F155-S166 PolarHBondContact O-OG 3.42Å
156M96.2Very high97Very high90 Ų9054.8 Ų54.844%0.44328%0.276SS..EExtended strand (participates in β ladder)trans-144151.4175.364.1-175-131.400109.6K160 K161M156-K160 CarbonylContact C-O 3.59Å; M156-K160 WeakPolarHBondContact CA-O 3.3Å; M156-K161 HydrophobicContact CB-CB 4.37Å; M156-K161 HydrophobicContact CB-CG 4.03Å; M156-K161 HydrophobicContact SD-CG 4.17Å
157T94Very high97.2Very high70 Ų7057.1 Ų57.143%0.42929%0.286SS..EExtended strand (participates in β ladder)trans-101.8172.5168.5650000108.9F155 K159 K160F155-T157 HydrophobicContact CZ-CG2 4.45Å; T157-K159 PolarHBondContact O-N 3.5Å; T157-K160 PolarHBondContact N-O 3.33Å; T157-K160 PolarHBondContact O-N 3.21Å; T157-K160 PolarHBondContact OG1-N 3.35Å; T157-K160 PolarHBondContact OG1-O 2.91Å
158E92.6Very high97.3Very high197 Ų19761.7 Ų61.792%0.92131%0.305SS*.THydrogen-bonded Turntrans-49.5-31.2175.6-64.1177.9176.800113.7
159K95.1Very high97.4Very high198 Ų19861.8 Ų61.886%0.86131%0.305SS*.THydrogen-bonded Turntrans-110-14.4-173-61.9-175.8-179.1-178.80114.3T157T157-K159 PolarHBondContact O-N 3.5Å
160K96.3Very high97.4Very high138 Ų13864.6 Ų64.660%0.632%0.317SS*.EExtended strand (participates in β ladder)trans-154.3127.3-169-168.8177.7176.5-179.70112.7M156 T157 I162M156-K160 CarbonylContact C-O 3.59Å; M156-K160 WeakPolarHBondContact CA-O 3.3Å; T157-K160 PolarHBondContact N-O 3.33Å; T157-K160 PolarHBondContact O-N 3.21Å; T157-K160 PolarHBondContact OG1-N 3.35Å; T157-K160 PolarHBondContact OG1-O 2.91Å; K160-I162 HydrophobicContact CB-CD1 4.08Å; K160-I162 HydrophobicContact CD-CD1 3.7Å; K160-I162 HydrophobicContact CG-CD1 3.78Å
161K97.7Very high97.5Very high73 Ų7362.5 Ų62.532%0.31731%0.309SS..EExtended strand (participates in β ladder)trans-72.9120163.4-69.3168.8161-147.30108.6M156 S166 I167 E170M156-K161 HydrophobicContact CB-CB 4.37Å; M156-K161 HydrophobicContact CB-CG 4.03Å; M156-K161 HydrophobicContact SD-CG 4.17Å; K161-S166 WeakPolarHBondContact CD-O 3.47Å; K161-S166 WeakPolarHBondContact CE-O 3.29Å; K161-S166 PolarHBondContact NZ-O 3.4Å; K161-I167 HydrophobicContact CB-CG1 3.82Å; K161-E170 IonicContact NZ-OE1 3.81Å; K161-E170 PolarHBondContact NZ-OE1 2.88Å; K161-E170 IonicContact NZ-OE2 2.82Å; K161-E170 PolarHBondContact NZ-OE2 3.43Å
162I96.6Very high97.5Very high76 Ų7661.3 Ų61.339%0.3930%0.302SS..  trans-100.2-50.8-173.8-54.1-62.9000110.4F155 K160F155-I162 HydrophobicContact CD1-CB 3.69Å; F155-I162 HydrophobicContact CD1-CG1 3.91Å; F155-I162 HydrophobicContact CD1-CG2 3.95Å; F155-I162 HydrophobicContact CE1-CB 4.19Å; F155-I162 HydrophobicContact CE1-CG1 3.94Å; F155-I162 HydrophobicContact CE1-CG2 4.33Å; F155-I162 PolarHBondContact O-N 3.41Å; K160-I162 HydrophobicContact CB-CD1 4.08Å; K160-I162 HydrophobicContact CD-CD1 3.7Å; K160-I162 HydrophobicContact CG-CD1 3.78Å
163S98.1Very high97.5Very high12 Ų1263.2 Ų63.28%0.08431%0.314CS..SBendtrans-76.2140.8177.9-179.30000110.9L151 F155 T165 S166 I167L151-S163 WeakPolarHBondContact O-CB 3.28Å; L151-S163 PolarHBondContact O-OG 3.41Å; F155-S163 PolarHBondContact O-N 2.81Å; S163-T165 PolarHBondContact O-N 3.41Å; S163-T165 WeakPolarHBondContact OG-CB 3.22Å; S163-T165 PolarHBondContact OG-N 2.98Å; S163-T165 PolarHBondContact OG-OG1 3.01Å; S163-S166 PolarHBondContact O-N 3.34Å; S163-I167 WeakPolarHBondContact O-CG1 3.1Å; S163-I167 PolarHBondContact O-N 2.87Å; S163-I167 VanDerWaalsContact O-N 3.14Å
164A98.6Very high97.5Very high44 Ų4463.2 Ų63.236%0.36431%0.314SS..Hα-helixtrans-54-33.8169.500000111.5F127 S166 I167 F168F127-A164 HydrophobicContact CE2-CB 4.12Å; A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 2.89Å; A164-I167 PolarHBondContact O-N 3.33Å; A164-I167 VanDerWaalsContact O-N 3.1Å; A164-F168 HydrophobicContact CB-CD2 4.24Å; A164-F168 HydrophobicContact CB-CE2 4.27Å; A164-F168 VanDerWaalsContact O-CD2 3.22Å; A164-F168 WeakPolarHBondContact O-CD2 3.43Å; A164-F168 PolarHBondContact O-N 3.41Å
165T98.7Very high97.5Very high3 Ų367.5 Ų67.52%0.01833%0.33CS..Hα-helixtrans-54.6-49.4173.7-55.40000111.2Y130 I140 T152 S163 I167 F169Y130-T165 HydrophobicContact CD2-CG2 4.06Å; Y130-T165 HydrophobicContact CE2-CG2 3.85Å; I140-T165 HydrophobicContact CD1-CG2 3.94Å; T152-T165 PolarHBondContact O-OG1 3.29Å; S163-T165 PolarHBondContact O-N 3.41Å; S163-T165 WeakPolarHBondContact OG-CB 3.22Å; S163-T165 PolarHBondContact OG-N 2.98Å; S163-T165 PolarHBondContact OG-OG1 3.01Å; T165-I167 VanDerWaalsContact C-N 3.28Å; T165-I167 PolarHBondContact O-N 3.1Å; T165-F169 HydrophobicContact CG2-CD2 4.28Å; T165-F169 CarbonylContact O-C 3.56Å; T165-F169 WeakPolarHBondContact O-CA 3.36Å; T165-F169 VanDerWaalsContact O-CB 3.23Å; T165-F169 WeakPolarHBondContact O-CB 3.17Å; T165-F169 WeakPolarHBondContact O-CD2 3.27Å; T165-F169 PolarHBondContact O-N 3.24Å
166S98.6Very high97.6Very high0 Ų066.2 Ų66.20%033%0.325CS..Hα-helixtrans-73.6-19.9-180-55.90000113.4G154 F155 K161 S163 A164 F169 S171G154-S166 WeakPolarHBondContact CA-OG 3.41Å; F155-S166 PolarHBondContact N-OG 2.81Å; F155-S166 PolarHBondContact O-OG 3.42Å; K161-S166 WeakPolarHBondContact CD-O 3.47Å; K161-S166 WeakPolarHBondContact CE-O 3.29Å; K161-S166 PolarHBondContact NZ-O 3.4Å; S163-S166 PolarHBondContact O-N 3.34Å; A164-S166 VanDerWaalsContact C-N 3.33Å; A164-S166 PolarHBondContact O-N 2.89Å; S166-F169 CarbonylContact C-O 3.49Å; S166-F169 VanDerWaalsContact C-O 3.29Å; S166-F169 WeakPolarHBondContact CA-O 3.49Å; S166-S171 WeakPolarHBondContact CB-OG 3.37Å; S166-S171 PolarHBondContact OG-OG 3.28Å
167I98.7Very high97.6Very high82 Ų8264.2 Ų64.242%0.42132%0.316SS..Hα-helixtrans-74.2-49.9176.5-66.7171.4000110.3K161 S163 A164 T165K161-I167 HydrophobicContact CB-CG1 3.82Å; S163-I167 WeakPolarHBondContact O-CG1 3.1Å; S163-I167 PolarHBondContact O-N 2.87Å; S163-I167 VanDerWaalsContact O-N 3.14Å; A164-I167 PolarHBondContact O-N 3.33Å; A164-I167 VanDerWaalsContact O-N 3.1Å; T165-I167 VanDerWaalsContact C-N 3.28Å; T165-I167 PolarHBondContact O-N 3.1Å
168F98.8Very high97.7Very high113 Ų11365 Ų6550%0.49632%0.323SS..Hα-helixtrans-92.3-20.2-173.5-63.4-71.2000113.9F127 H137 A164F127-F168 HydrophobicContact CE2-CB 4.44Å; F127-F168 AromaticContact CE2-CD2 3.8Å; F127-F168 HydrophobicContact CE2-CD2 3.8Å; F127-F168 HydrophobicContact CE2-CG 4.49Å; F127-F168 HydrophobicContact CZ-CB 4.25Å; F127-F168 AromaticContact CZ-CD2 3.53Å; F127-F168 HydrophobicContact CZ-CD2 3.53Å; F127-F168 HydrophobicContact CZ-CE2 4.15Å; F127-F168 HydrophobicContact CZ-CG 4.07Å; H137-F168 PolarHBondContact N-O 3.26Å; A164-F168 HydrophobicContact CB-CD2 4.24Å; A164-F168 HydrophobicContact CB-CE2 4.27Å; A164-F168 VanDerWaalsContact O-CD2 3.22Å; A164-F168 WeakPolarHBondContact O-CD2 3.43Å; A164-F168 PolarHBondContact O-N 3.41Å
169F98.9Very high97.8Very high4 Ų464 Ų642%0.01832%0.318CS..SBendtrans-125.2160.6178.1-50.2-80.9000110F127 Y130 V134 E135 G138 I140 T165 S166F127-F169 HydrophobicContact CD2-CE2 4.14Å; F127-F169 HydrophobicContact CE2-CD2 4.43Å; F127-F169 AromaticContact CE2-CE2 3.68Å; F127-F169 HydrophobicContact CE2-CE2 3.68Å; F127-F169 HydrophobicContact CZ-CE2 4.09Å; Y130-F169 VanDerWaalsContact CB-CE2 3.45Å; Y130-F169 HydrophobicContact CD2-CD2 4.35Å; Y130-F169 HydrophobicContact CD2-CE2 4.1Å; Y130-F169 HydrophobicContact CG-CE2 4.26Å; V134-F169 HydrophobicContact CB-CD1 4.01Å; V134-F169 HydrophobicContact CB-CE1 4.04Å; V134-F169 HydrophobicContact CG1-CD1 3.62Å; V134-F169 HydrophobicContact CG1-CE1 4.16Å; V134-F169 HydrophobicContact CG1-CG 4.42Å; E135-F169 WeakPolarHBondContact O-CD1 3.5Å; E135-F169 VanDerWaalsContact O-CE1 3.25Å; E135-F169 WeakPolarHBondContact O-CE1 3.12Å; G138-F169 WeakPolarHBondContact O-CB 3.47Å; I140-F169 HydrophobicContact CD1-CB 3.74Å; I140-F169 HydrophobicContact CD1-CD1 4.29Å; I140-F169 HydrophobicContact CD1-CD2 4.11Å; I140-F169 HydrophobicContact CD1-CG 3.79Å; I140-F169 HydrophobicContact CG1-CB 4.29Å; T165-F169 HydrophobicContact CG2-CD2 4.28Å; T165-F169 CarbonylContact O-C 3.56Å; T165-F169 WeakPolarHBondContact O-CA 3.36Å; T165-F169 VanDerWaalsContact O-CB 3.23Å; T165-F169 WeakPolarHBondContact O-CB 3.17Å; T165-F169 WeakPolarHBondContact O-CD2 3.27Å; T165-F169 PolarHBondContact O-N 3.24Å; S166-F169 CarbonylContact C-O 3.49Å; S166-F169 VanDerWaalsContact C-O 3.29Å; S166-F169 WeakPolarHBondContact CA-O 3.49Å
170E98.8Very high97.9Very high62 Ų6257.8 Ų57.829%0.2930%0.297SS..EExtended strand (participates in β ladder)trans-93.3104175.6-58.9-49.3143.100109.6H137 G138 R139 I140 K161 F195H137-E170 HydrophobicContact CB-CG 4.35Å; H137-E170 IonicContact ND1-OE1 2.99Å; H137-E170 PolarHBondContact ND1-OE1 3.26Å; H137-E170 WeakPolarHBondContact O-CG 3.09Å; G138-E170 PolarHBondContact O-N 3.37Å; R139-E170 CarbonylContact C-O 3.56Å; R139-E170 VanDerWaalsContact CA-O 3.26Å; R139-E170 WeakPolarHBondContact CA-O 3.48Å; R139-E170 HydrophobicContact CG-CB 4.25Å; I140-E170 PolarHBondContact N-O 3.04Å; K161-E170 IonicContact NZ-OE1 3.81Å; K161-E170 PolarHBondContact NZ-OE1 2.88Å; K161-E170 IonicContact NZ-OE2 2.82Å; K161-E170 PolarHBondContact NZ-OE2 3.43Å; E170-F195 WeakPolarHBondContact O-CZ 3.47Å
171S98.7Very high97.9Very high12 Ų1251.5 Ų51.58%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-99.3134.9-177.363.20000112.3I140 S166I140-S171 VanDerWaalsContact O-CA 3.3Å; I140-S171 WeakPolarHBondContact O-CA 3.3Å; S166-S171 WeakPolarHBondContact CB-OG 3.37Å; S166-S171 PolarHBondContact OG-OG 3.28Å
172M98.8Very high98Very high53 Ų5352.5 Ų52.526%0.26127%0.274SS..EExtended strand (participates in β ladder)trans-128.1125.5168.2-171.2178.877.700110.2I140 M141 N191 F195I140-M172 PolarHBondContact O-N 3.45Å; M141-M172 VanDerWaalsContact CA-O 3.32Å; M141-M172 WeakPolarHBondContact CA-O 3.26Å; M141-M172 HydrophobicContact CE-CE 3.58Å; M141-M172 WeakPolarHBondContact CG-O 3.5Å; M141-M172 HydrophobicContact SD-CE 4.02Å; M172-N191 HydrophobicContact CE-CB 3.8Å; M172-F195 HydrophobicContact CB-CD1 3.84Å; M172-F195 HydrophobicContact CB-CD2 4.03Å; M172-F195 HydrophobicContact CB-CE1 3.56Å; M172-F195 HydrophobicContact CB-CE2 3.79Å; M172-F195 HydrophobicContact CB-CG 4.05Å; M172-F195 HydrophobicContact CB-CZ 3.55Å; M172-F195 HydrophobicContact CE-CB 3.32Å; M172-F195 HydrophobicContact CE-CD1 4.01Å; M172-F195 HydrophobicContact CE-CD2 4.13Å; M172-F195 HydrophobicContact CE-CG 3.57Å; M172-F195 HydrophobicContact SD-CB 4.03Å; M172-F195 HydrophobicContact SD-CD2 3.78Å; M172-F195 HydrophobicContact SD-CE2 4.36Å; M172-F195 HydrophobicContact SD-CG 3.86Å
173P98.6Very high98.1Very high53 Ų5349.2 Ų49.234%0.34426%0.257SS..EExtended strand (participates in β ladder)trans-75.7152.7-17630.8-34.5000112.3G142 D144G142-P173 CarbonylContact O-C 3.5Å; G142-P173 WeakPolarHBondContact O-CA 3.09Å; D144-P173 HydrophobicContact CB-CB 3.71Å; D144-P173 HydrophobicContact CB-CG 4.49Å
174Y98.8Very high98.1Very high3 Ų351.2 Ų51.21%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-104.2161.6154.162.9-97.1000109.9M141 G142 L143 D144 I183 L188 I200 I201M141-Y174 HydrophobicContact CB-CD1 4.39Å; G142-Y174 VanDerWaalsContact C-CD1 3.43Å; G142-Y174 WeakPolarHBondContact O-CD1 3.48Å; G142-Y174 PolarHBondContact O-N 3.32Å; L143-Y174 HydrophobicContact CB-CD2 4.31Å; L143-Y174 HydrophobicContact CB-CE2 3.62Å; L143-Y174 HydrophobicContact CD1-CD2 3.84Å; L143-Y174 HydrophobicContact CD1-CE2 3.71Å; L143-Y174 HydrophobicContact CG-CE2 4.22Å; L143-Y174 VanDerWaalsContact N-CE1 3.32Å; L143-Y174 VanDerWaalsContact N-CZ 3.31Å; D144-Y174 PolarHBondContact N-O 3.46Å; Y174-I183 HydrophobicContact CD2-CG2 3.99Å; Y174-I183 HydrophobicContact CE2-CD1 4.19Å; Y174-I183 HydrophobicContact CE2-CG1 4.48Å; Y174-I183 HydrophobicContact CE2-CG2 4Å; Y174-L188 HydrophobicContact CD1-CD1 3.71Å; Y174-L188 HydrophobicContact CD1-CD2 4.14Å; Y174-L188 HydrophobicContact CD1-CG 4.49Å; Y174-L188 HydrophobicContact CD2-CD2 4.31Å; Y174-L188 HydrophobicContact CE1-CD2 4.4Å; Y174-L188 HydrophobicContact CG-CB 4.45Å; Y174-L188 HydrophobicContact CG-CD1 3.88Å; Y174-L188 HydrophobicContact CG-CD2 4.09Å; Y174-L188 HydrophobicContact CG-CG 4.35Å; Y174-I200 HydrophobicContact CE1-CG2 4.48Å; Y174-I201 WeakPolarHBondContact CE1-O 3.36Å; Y174-I201 PolarHBondContact OH-O 2.84Å
175K98.5Very high98.1Very high99 Ų9950.8 Ų50.843%0.4326%0.256SS..  trans-127167.4-165.2-68.6-166.272.579.90112.5D144 D147 D184D144-K175 HydrophobicContact CB-CG 4.17Å; D144-K175 IonicContact OD2-NZ 3.96Å; D144-K175 PolarHBondContact OD2-NZ 3.25Å; D147-K175 IonicContact OD1-NZ 3.69Å; D147-K175 PolarHBondContact OD1-NZ 3.02Å; D147-K175 WeakPolarHBondContact OD2-CA 3.4Å; D147-K175 WeakPolarHBondContact OD2-CB 3.17Å; D147-K175 WeakPolarHBondContact OD2-CE 3.43Å; D147-K175 WeakPolarHBondContact OD2-CG 3.26Å; D147-K175 IonicContact OD2-NZ 2.89Å; D147-K175 PolarHBondContact OD2-NZ 3.11Å; K175-D184 PolarHBondContact O-N 3.26Å
176V98.4Very high98.1Very high8 Ų855.3 Ų55.35%0.04828%0.28CS..BIsolated β-bridgetrans-88.8154.2164.5-59.80000110.7L143 D147 P178 Y182 I183 Y207 P391L143-V176 HydrophobicContact CD1-CG1 4.22Å; D147-V176 HydrophobicContact CB-CG1 4.18Å; D147-V176 HydrophobicContact CB-CG2 3.91Å; D147-V176 PolarHBondContact OD2-N 2.77Å; V176-P178 WeakPolarHBondContact O-CD 3.38Å; V176-Y182 CarbonylContact C-O 3.58Å; V176-Y182 VanDerWaalsContact CA-O 3.26Å; V176-Y182 WeakPolarHBondContact CA-O 3.3Å; V176-Y182 WeakPolarHBondContact CB-O 3.4Å; V176-I183 HydrophobicContact CG1-CG1 4.03Å; V176-Y207 HydrophobicContact CG1-CE2 4.22Å; V176-P391 HydrophobicContact CG2-CB 3.98Å; V176-P391 HydrophobicContact CG2-CG 3.81Å
177N97.4Very high98.1Very high48 Ų4861.5 Ų61.526%0.25730%0.303SS..  trans-68.1119.9163.6179.1-40.5000108.3E179 T180 G181 Y182N177-E179 PolarHBondContact O-N 2.78Å; N177-E179 WeakPolarHBondContact OD1-CB 3.47Å; N177-E179 PolarHBondContact OD1-N 2.74Å; N177-T180 PolarHBondContact O-N 2.7Å; N177-T180 PolarHBondContact OD1-N 3.19Å; N177-G181 VanDerWaalsContact O-CA 3.29Å; N177-G181 WeakPolarHBondContact O-CA 3.23Å; N177-G181 PolarHBondContact O-N 2.98Å; N177-Y182 PolarHBondContact N-O 2.79Å
178P95.1Very high98.1Very high87 Ų8757.6 Ų57.657%0.56528%0.283SS*.THydrogen-bonded Turntrans-68.6-18.5-174.527.8-35.3000114.3V176 P391V176-P178 WeakPolarHBondContact O-CD 3.38Å; P178-P391 HydrophobicContact CB-CB 4.38Å
179E94.9Very high98.1Very high176 Ų17654.1 Ų54.182%0.82227%0.269SS*.THydrogen-bonded Turntrans-80.1-43.6178.4-57.2-176.7167.900111.4N177N177-E179 PolarHBondContact O-N 2.78Å; N177-E179 WeakPolarHBondContact OD1-CB 3.47Å; N177-E179 PolarHBondContact OD1-N 2.74Å
180T96.9Very high98.1Very high67 Ų6758.2 Ų58.241%0.41129%0.288SS..THydrogen-bonded Turntrans-95.2-28.1-176.170.70000112.8N177 Y182N177-T180 PolarHBondContact O-N 2.7Å; N177-T180 PolarHBondContact OD1-N 3.19Å; T180-Y182 VanDerWaalsContact C-N 3.28Å; T180-Y182 WeakPolarHBondContact O-CD2 3.43Å; T180-Y182 PolarHBondContact OG1-N 3.27Å
181G97.4Very high98.1Very high6 Ų657.4 Ų57.46%0.06229%0.285CS..  trans78.44.1-172.600000114.7N177 Y207N177-G181 VanDerWaalsContact O-CA 3.29Å; N177-G181 WeakPolarHBondContact O-CA 3.23Å; N177-G181 PolarHBondContact O-N 2.98Å; G181-Y207 WeakPolarHBondContact O-CE2 3.11Å
182Y98.7Very high98.1Very high94 Ų9456.8 Ų56.837%0.36928%0.281SS..SBendtrans-89.9150.6176.7-72.4-101.6000111.2V176 N177 T180 D184 R209 T352V176-Y182 CarbonylContact C-O 3.58Å; V176-Y182 VanDerWaalsContact CA-O 3.26Å; V176-Y182 WeakPolarHBondContact CA-O 3.3Å; V176-Y182 WeakPolarHBondContact CB-O 3.4Å; N177-Y182 PolarHBondContact N-O 2.79Å; T180-Y182 VanDerWaalsContact C-N 3.28Å; T180-Y182 WeakPolarHBondContact O-CD2 3.43Å; T180-Y182 PolarHBondContact OG1-N 3.27Å; Y182-D184 PolarHBondContact O-N 3.22Å; Y182-R209 HydrophobicContact CD1-CB 4.48Å; Y182-R209 HydrophobicContact CD1-CG 4.22Å; Y182-R209 HydrophobicContact CE1-CB 4.08Å; Y182-R209 HydrophobicContact CE1-CG 3.59Å; Y182-R209 PolarHBondContact OH-NE 2.82Å; Y182-T352 HydrophobicContact CD2-CG2 4.08Å; Y182-T352 HydrophobicContact CE2-CG2 3.95Å
183I98.8Very high98.1Very high8 Ų859 Ų594%0.04129%0.291CS..BIsolated β-bridgetrans-55.8132.6173.7-67.8167.6000110.3L143 Y174 V176 Y185 Y207 L211L143-I183 HydrophobicContact CD1-CG1 4.19Å; L143-I183 HydrophobicContact CD2-CD1 4.42Å; Y174-I183 HydrophobicContact CD2-CG2 3.99Å; Y174-I183 HydrophobicContact CE2-CD1 4.19Å; Y174-I183 HydrophobicContact CE2-CG1 4.48Å; Y174-I183 HydrophobicContact CE2-CG2 4Å; V176-I183 HydrophobicContact CG1-CG1 4.03Å; I183-Y185 HydrophobicContact CB-CD2 4.38Å; I183-Y185 HydrophobicContact CB-CE1 4.3Å; I183-Y185 HydrophobicContact CB-CE2 3.92Å; I183-Y185 HydrophobicContact CG2-CD1 3.92Å; I183-Y185 HydrophobicContact CG2-CD2 4.22Å; I183-Y185 HydrophobicContact CG2-CE1 3.79Å; I183-Y185 HydrophobicContact CG2-CE2 4.1Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 WeakPolarHBondContact O-CD2 3.48Å; I183-Y185 PolarHBondContact O-N 3.48Å; I183-Y207 HydrophobicContact CD1-CE1 4.15Å; I183-Y207 HydrophobicContact CD1-CE2 4.48Å; I183-Y207 HydrophobicContact CG1-CE2 4.05Å; I183-Y207 PolarHBondContact N-OH 2.81Å; I183-L211 HydrophobicContact CD1-CD2 3.31Å
184D98.7Very high98.1Very high53 Ų5363 Ų6328%0.28331%0.309SS..  trans-86.785.8174.8-170.9-20.7000109.5K175 Y182 D186 R187 L188K175-D184 PolarHBondContact O-N 3.26Å; Y182-D184 PolarHBondContact O-N 3.22Å; D184-D186 VanDerWaalsContact C-N 3.28Å; D184-D186 PolarHBondContact O-N 3.35Å; D184-D186 PolarHBondContact OD1-N 2.88Å; D184-R187 HydrophobicContact CB-CB 4.07Å; D184-R187 PolarHBondContact O-N 2.78Å; D184-R187 WeakPolarHBondContact OD1-CB 3.35Å; D184-R187 PolarHBondContact OD1-N 3.25Å; D184-R187 WeakPolarHBondContact OD2-CB 3.15Å; D184-L188 PolarHBondContact O-N 2.77Å
185Y98.8Very high98.1Very high36 Ų3664.5 Ų64.514%0.14132%0.315CS..Hα-helixtrans-66.7-28.7-177.2-65.9-79.5000113.1I183 L188 Q189 D212 R215 L216I183-Y185 HydrophobicContact CB-CD2 4.38Å; I183-Y185 HydrophobicContact CB-CE1 4.3Å; I183-Y185 HydrophobicContact CB-CE2 3.92Å; I183-Y185 HydrophobicContact CG2-CD1 3.92Å; I183-Y185 HydrophobicContact CG2-CD2 4.22Å; I183-Y185 HydrophobicContact CG2-CE1 3.79Å; I183-Y185 HydrophobicContact CG2-CE2 4.1Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 WeakPolarHBondContact O-CD2 3.48Å; I183-Y185 PolarHBondContact O-N 3.48Å; Y185-L188 WeakPolarHBondContact O-CB 3.18Å; Y185-L188 PolarHBondContact O-N 3.22Å; Y185-Q189 PolarHBondContact O-N 3.12Å; Y185-D212 HydrophobicContact CE1-CB 4.18Å; Y185-D212 HydrophobicContact CE2-CB 4.16Å; Y185-D212 PolarHBondContact OH-N 2.94Å; Y185-R215 HydrophobicContact CD1-CG 4.06Å; Y185-R215 HydrophobicContact CG-CG 4.04Å; Y185-L216 HydrophobicContact CD1-CD2 4.16Å; Y185-L216 HydrophobicContact CD1-CG 4.22Å; Y185-L216 HydrophobicContact CE1-CD1 4.06Å; Y185-L216 HydrophobicContact CE1-CD2 4.03Å; Y185-L216 HydrophobicContact CE1-CG 3.82Å
186D98.6Very high98.1Very high98 Ų9865.3 Ų65.352%0.52432%0.32SS..Hα-helixtrans-72.8-44.8179.6-64-28.1000110D184 L188 Q189 E190 R215D184-D186 VanDerWaalsContact C-N 3.28Å; D184-D186 PolarHBondContact O-N 3.35Å; D184-D186 PolarHBondContact OD1-N 2.88Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 3.02Å; D186-Q189 WeakPolarHBondContact O-CB 3.19Å; D186-Q189 PolarHBondContact O-N 3.12Å; D186-Q189 VanDerWaalsContact O-N 3.11Å; D186-E190 WeakPolarHBondContact O-CG 3.15Å; D186-E190 PolarHBondContact O-N 3.49Å; D186-R215 IonicContact OD1-CZ 3.68Å; D186-R215 IonicContact OD1-NH2 3.76Å; D186-R215 PolarHBondContact OD1-NH2 2.77Å
187R98.7Very high98.2Very high129 Ų12965 Ų6549%0.48732%0.319SS..Hα-helixtrans-62-37.9171.6-174.658.160.8169.32.1112.4D184 Q189 E190 N191D184-R187 HydrophobicContact CB-CB 4.07Å; D184-R187 PolarHBondContact O-N 2.78Å; D184-R187 WeakPolarHBondContact OD1-CB 3.35Å; D184-R187 PolarHBondContact OD1-N 3.25Å; D184-R187 WeakPolarHBondContact OD2-CB 3.15Å; R187-Q189 VanDerWaalsContact C-N 3.35Å; R187-E190 IonicContact CZ-OE2 3.75Å; R187-E190 IonicContact NE-OE2 2.62Å; R187-E190 IonicContact NH1-OE2 3.12Å; R187-E190 PolarHBondContact NH1-OE2 2.89Å; R187-E190 IonicContact NH2-OE2 2.76Å; R187-N191 VanDerWaalsContact O-CB 3.28Å; R187-N191 WeakPolarHBondContact O-CB 3.37Å; R187-N191 VanDerWaalsContact O-CG 3.25Å; R187-N191 PolarHBondContact O-N 2.95Å
188L98.8Very high98.2Very high1 Ų166.9 Ų66.91%0.00532%0.324CS..Hα-helixtrans-59-46.1172.5165.958.7000111M141 Y174 D184 Y185 D186 N191 A192 L216 I219M141-L188 HydrophobicContact CE-CD1 3.56Å; M141-L188 HydrophobicContact SD-CD1 4.27Å; Y174-L188 HydrophobicContact CD1-CD1 3.71Å; Y174-L188 HydrophobicContact CD1-CD2 4.14Å; Y174-L188 HydrophobicContact CD1-CG 4.49Å; Y174-L188 HydrophobicContact CD2-CD2 4.31Å; Y174-L188 HydrophobicContact CE1-CD2 4.4Å; Y174-L188 HydrophobicContact CG-CB 4.45Å; Y174-L188 HydrophobicContact CG-CD1 3.88Å; Y174-L188 HydrophobicContact CG-CD2 4.09Å; Y174-L188 HydrophobicContact CG-CG 4.35Å; D184-L188 PolarHBondContact O-N 2.77Å; Y185-L188 WeakPolarHBondContact O-CB 3.18Å; Y185-L188 PolarHBondContact O-N 3.22Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 3.02Å; L188-N191 PolarHBondContact O-N 3.04Å; L188-A192 VanDerWaalsContact O-CB 3.25Å; L188-A192 WeakPolarHBondContact O-CB 3.33Å; L188-A192 PolarHBondContact O-N 3.03Å; L188-L216 HydrophobicContact CD2-CD2 3.39Å; L188-I219 HydrophobicContact CD2-CD1 4.17Å; L188-I219 HydrophobicContact CG-CD1 4.1Å
189Q98.8Very high98.4Very high40 Ų4062.7 Ų62.719%0.18730%0.298CS..Hα-helixtrans-60.8-50178.6-173.8-179.215.500111.7Y185 D186 R187 N191 A192 Q193 R215 I219 E222Y185-Q189 PolarHBondContact O-N 3.12Å; D186-Q189 WeakPolarHBondContact O-CB 3.19Å; D186-Q189 PolarHBondContact O-N 3.12Å; D186-Q189 VanDerWaalsContact O-N 3.11Å; R187-Q189 VanDerWaalsContact C-N 3.35Å; Q189-N191 VanDerWaalsContact C-N 3.34Å; Q189-N191 PolarHBondContact O-N 2.83Å; Q189-A192 PolarHBondContact O-N 3.26Å; Q189-Q193 WeakPolarHBondContact O-CG 3.32Å; Q189-Q193 PolarHBondContact O-N 3.04Å; Q189-Q193 VanDerWaalsContact O-N 3.16Å; Q189-R215 VanDerWaalsContact OE1-CZ 3.3Å; Q189-I219 HydrophobicContact CB-CD1 3.93Å; Q189-I219 HydrophobicContact CB-CG1 3.94Å; Q189-I219 HydrophobicContact CB-CG2 4.5Å; Q189-I219 HydrophobicContact CG-CG1 4.08Å; Q189-E222 PolarHBondContact NE2-OE1 2.71Å; Q189-E222 PolarHBondContact NE2-OE2 2.97Å
190E98.7Very high98.6Very high90 Ų9054.3 Ų54.342%0.42126%0.258SS..Hα-helixtrans-54.7-50.2177.1-70.1175.3-172.500111.2D186 R187 A192 Q193 L194D186-E190 WeakPolarHBondContact O-CG 3.15Å; D186-E190 PolarHBondContact O-N 3.49Å; R187-E190 IonicContact CZ-OE2 3.75Å; R187-E190 IonicContact NE-OE2 2.62Å; R187-E190 IonicContact NH1-OE2 3.12Å; R187-E190 PolarHBondContact NH1-OE2 2.89Å; R187-E190 IonicContact NH2-OE2 2.76Å; E190-A192 PolarHBondContact O-N 3.45Å; E190-Q193 PolarHBondContact O-N 2.83Å; E190-L194 PolarHBondContact O-N 3.11Å
191N98.8Very high98.7Very high44 Ų4451.1 Ų51.124%0.23524%0.239CC..Hα-helixtrans-68.9-33.6-177.5-73.8-10.5000112.5M141 M172 R187 L188 Q189 Q193 L194 F195M141-N191 HydrophobicContact CE-CB 4.08Å; M172-N191 HydrophobicContact CE-CB 3.8Å; R187-N191 VanDerWaalsContact O-CB 3.28Å; R187-N191 WeakPolarHBondContact O-CB 3.37Å; R187-N191 VanDerWaalsContact O-CG 3.25Å; R187-N191 PolarHBondContact O-N 2.95Å; L188-N191 PolarHBondContact O-N 3.04Å; Q189-N191 VanDerWaalsContact C-N 3.34Å; Q189-N191 PolarHBondContact O-N 2.83Å; N191-Q193 VanDerWaalsContact C-N 3.32Å; N191-L194 PolarHBondContact O-N 3.34Å; N191-F195 VanDerWaalsContact O-CB 3.27Å; N191-F195 WeakPolarHBondContact O-CB 3.19Å; N191-F195 PolarHBondContact O-N 3.16Å
192A98.8Very high98.8Very high0 Ų050.9 Ų50.90%024%0.236CC..Hα-helixtrans-64.4-38.2176.300000111.6M141 L188 Q189 E190 L194 F195 H196 P197 I219 N223M141-A192 HydrophobicContact SD-CB 4Å; L188-A192 VanDerWaalsContact O-CB 3.25Å; L188-A192 WeakPolarHBondContact O-CB 3.33Å; L188-A192 PolarHBondContact O-N 3.03Å; Q189-A192 PolarHBondContact O-N 3.26Å; E190-A192 PolarHBondContact O-N 3.45Å; A192-L194 PolarHBondContact O-N 2.67Å; A192-F195 PolarHBondContact O-N 3.06Å; A192-H196 WeakPolarHBondContact O-CA 3.35Å; A192-H196 PolarHBondContact O-N 3.29Å; A192-P197 HydrophobicContact CB-CG 4.18Å; A192-P197 VanDerWaalsContact O-CD 3.25Å; A192-P197 WeakPolarHBondContact O-CD 3.36Å; A192-I219 HydrophobicContact CB-CG2 3.82Å; A192-N223 PolarHBondContact O-OD1 2.98Å; A192-N223 VanDerWaalsContact O-OD1 3.1Å
193Q98.4Very high98.8Very high100 Ų10046.4 Ų46.447%0.46722%0.219SC..Hα-helixtrans-64.5-28.4175.8-69.2175-4.400113Q189 E190 N191 H196 N223Q189-Q193 WeakPolarHBondContact O-CG 3.32Å; Q189-Q193 PolarHBondContact O-N 3.04Å; Q189-Q193 VanDerWaalsContact O-N 3.16Å; E190-Q193 PolarHBondContact O-N 2.83Å; N191-Q193 VanDerWaalsContact C-N 3.32Å; Q193-H196 PolarHBondContact O-CE1 3.34Å; Q193-H196 PolarHBondContact O-ND1 3Å; Q193-H196 PolarHBondContact O-NE2 3.02Å; Q193-N223 WeakPolarHBondContact CA-OD1 3.32Å
194L98.6Very high98.8Very high137 Ų13747 Ų4772%0.71722%0.222SC*.Hα-helixtrans-86.4-38.7176.9-61.6173.7000112E190 N191 A192E190-L194 PolarHBondContact O-N 3.11Å; N191-L194 PolarHBondContact O-N 3.34Å; A192-L194 PolarHBondContact O-N 2.67Å
195F98.8Very high98.7Very high34 Ų3445.1 Ų45.115%0.14921%0.214CC..Hα-helixtrans-88.7-19.1-174.2-172.8-114.6000113.3R139 M141 E170 M172 N191 A192 P197R139-F195 HydrophobicContact CB-CD1 4.24Å; R139-F195 HydrophobicContact CB-CE1 3.63Å; R139-F195 HydrophobicContact CB-CZ 3.88Å; R139-F195 WeakPolarHBondContact CD-O 3.33Å; R139-F195 HydrophobicContact CG-CE1 4.1Å; R139-F195 HydrophobicContact CG-CE2 4.27Å; R139-F195 HydrophobicContact CG-CZ 3.84Å; R139-F195 PolarHBondContact NH1-O 2.87Å; M141-F195 HydrophobicContact CG-CD1 3.62Å; M141-F195 HydrophobicContact CG-CE1 3.96Å; M141-F195 HydrophobicContact SD-CB 4.39Å; M141-F195 HydrophobicContact SD-CD1 3.91Å; E170-F195 WeakPolarHBondContact O-CZ 3.47Å; M172-F195 HydrophobicContact CB-CD1 3.84Å; M172-F195 HydrophobicContact CB-CD2 4.03Å; M172-F195 HydrophobicContact CB-CE1 3.56Å; M172-F195 HydrophobicContact CB-CE2 3.79Å; M172-F195 HydrophobicContact CB-CG 4.05Å; M172-F195 HydrophobicContact CB-CZ 3.55Å; M172-F195 HydrophobicContact CE-CB 3.32Å; M172-F195 HydrophobicContact CE-CD1 4.01Å; M172-F195 HydrophobicContact CE-CD2 4.13Å; M172-F195 HydrophobicContact CE-CG 3.57Å; M172-F195 HydrophobicContact SD-CB 4.03Å; M172-F195 HydrophobicContact SD-CD2 3.78Å; M172-F195 HydrophobicContact SD-CE2 4.36Å; M172-F195 HydrophobicContact SD-CG 3.86Å; N191-F195 VanDerWaalsContact O-CB 3.27Å; N191-F195 WeakPolarHBondContact O-CB 3.19Å; N191-F195 PolarHBondContact O-N 3.16Å; A192-F195 PolarHBondContact O-N 3.06Å; F195-P197 HydrophobicContact CD1-CB 4.49Å
196H98.7Very high98.7Very high115 Ų11543.8 Ų43.853%0.53221%0.209SC..  trans48.263.5-179.6-56.4-57.5000113.1A192 Q193A192-H196 WeakPolarHBondContact O-CA 3.35Å; A192-H196 PolarHBondContact O-N 3.29Å; Q193-H196 PolarHBondContact O-CE1 3.34Å; Q193-H196 PolarHBondContact O-ND1 3Å; Q193-H196 PolarHBondContact O-NE2 3.02Å
197P98.9Very high98.7Very high3 Ų339.6 Ų39.62%0.01919%0.186CC..  trans-62.1141.5178.427.1-33.8000111.3M141 A192 F195 I200 A225M141-P197 HydrophobicContact CB-CB 4.42Å; M141-P197 HydrophobicContact CG-CB 3.97Å; M141-P197 HydrophobicContact CG-CG 4.3Å; M141-P197 HydrophobicContact SD-CB 4.22Å; M141-P197 HydrophobicContact SD-CG 3.9Å; A192-P197 HydrophobicContact CB-CG 4.18Å; A192-P197 VanDerWaalsContact O-CD 3.25Å; A192-P197 WeakPolarHBondContact O-CD 3.36Å; F195-P197 HydrophobicContact CD1-CB 4.49Å; P197-I200 HydrophobicContact CB-CG1 4.1Å; P197-I200 HydrophobicContact CG-CD1 3.98Å; P197-I200 HydrophobicContact CG-CG1 3.76Å; P197-A225 VanDerWaalsContact O-CB 3.24Å; P197-A225 WeakPolarHBondContact O-CB 3.5Å
198K98.8Very high98.7Very high86 Ų8633.7 Ų33.737%0.37417%0.165SC..SBendtrans-77.2-27.7164.2-79.5-169.1175.8-174.60111.4V134 E135 R139 A225 Y226V134-K198 HydrophobicContact CG1-CB 4.42Å; V134-K198 VanDerWaalsContact O-CD 3.24Å; V134-K198 WeakPolarHBondContact O-CD 3.46Å; V134-K198 PolarHBondContact O-NZ 2.9Å; E135-K198 IonicContact OE2-NZ 3.39Å; E135-K198 PolarHBondContact OE2-NZ 3.46Å; R139-K198 PolarHBondContact O-N 3.2Å; K198-A225 WeakPolarHBondContact O-CA 3.5Å; K198-Y226 PolarHBondContact O-N 3.43Å
199L98.9Very high98.7Very high0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-146134.4-179.1-177148.4000111.1V129 Y130 V133 V134 R139 I140 M141 I201 Y226 M228V129-L199 HydrophobicContact CG1-CD1 4.08Å; Y130-L199 HydrophobicContact CD1-CD1 4.49Å; Y130-L199 HydrophobicContact CD1-CD2 4.4Å; Y130-L199 HydrophobicContact CE1-CD2 4.17Å; V133-L199 HydrophobicContact CG2-CD1 3.65Å; V134-L199 HydrophobicContact CG2-CB 3.68Å; V134-L199 HydrophobicContact CG2-CD1 3.97Å; V134-L199 HydrophobicContact CG2-CG 4.38Å; R139-L199 PolarHBondContact O-N 3.42Å; I140-L199 WeakPolarHBondContact CA-O 3.35Å; I140-L199 HydrophobicContact CG2-CD2 4.21Å; M141-L199 PolarHBondContact N-O 3.05Å; L199-I201 HydrophobicContact CD2-CD1 4.24Å; L199-I201 HydrophobicContact CD2-CG1 3.42Å; L199-I201 VanDerWaalsContact CD2-CG1 3.42Å; L199-Y226 WeakPolarHBondContact CA-O 3.39Å; L199-M228 HydrophobicContact CD1-CB 4.09Å; L199-M228 HydrophobicContact CD1-SD 4.33Å; L199-M228 HydrophobicContact CD2-CB 3.97Å; L199-M228 HydrophobicContact CD2-SD 4.28Å; L199-M228 HydrophobicContact CG-CB 4.15Å
200I98.9Very high98.7Very high0 Ų036.1 Ų36.10%018%0.177CC..EExtended strand (participates in β ladder)trans-109.9132.3171.4-59.4178.8000108.3M141 Y174 P197 L216 I219 A220 A225 Y226 L227 M228M141-I200 HydrophobicContact CB-CG1 4.47Å; M141-I200 CarbonylContact O-C 3.53Å; M141-I200 WeakPolarHBondContact O-CA 3.35Å; Y174-I200 HydrophobicContact CE1-CG2 4.48Å; P197-I200 HydrophobicContact CB-CG1 4.1Å; P197-I200 HydrophobicContact CG-CD1 3.98Å; P197-I200 HydrophobicContact CG-CG1 3.76Å; I200-L216 HydrophobicContact CG2-CD2 4.34Å; I200-I219 HydrophobicContact CD1-CG2 3.85Å; I200-A220 HydrophobicContact CD1-CB 4.25Å; I200-A225 HydrophobicContact CG1-CB 4.42Å; I200-Y226 PolarHBondContact N-O 2.82Å; I200-L227 HydrophobicContact CB-CD1 4.41Å; I200-L227 HydrophobicContact CG2-CD1 4.37Å; I200-M228 PolarHBondContact O-N 3.32Å
201I98.9Very high98.7Very high0 Ų032.6 Ų32.60%016%0.16CC..EExtended strand (participates in β ladder)trans-99.8123.8179.6-55167.6000109.6Y130 I140 M141 H153 Y174 L199 M228 D230Y130-I201 HydrophobicContact CE1-CD1 3.9Å; Y130-I201 HydrophobicContact CE1-CG1 4.39Å; Y130-I201 WeakPolarHBondContact OH-CD1 3.46Å; I140-I201 HydrophobicContact CG2-CD1 3.57Å; I140-I201 HydrophobicContact CG2-CG1 4.07Å; M141-I201 PolarHBondContact O-N 3.24Å; H153-I201 HydrophobicContact CB-CD1 3.78Å; Y174-I201 WeakPolarHBondContact CE1-O 3.36Å; Y174-I201 PolarHBondContact OH-O 2.84Å; L199-I201 HydrophobicContact CD2-CD1 4.24Å; L199-I201 HydrophobicContact CD2-CG1 3.42Å; L199-I201 VanDerWaalsContact CD2-CG1 3.42Å; I201-M228 CarbonylContact C-O 3.54Å; I201-M228 WeakPolarHBondContact CA-O 3.42Å; I201-D230 HydrophobicContact CG2-CB 4.29Å
202A98.9Very high98.7Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-104.983.5171.400000109.7L211 Y213 L216 L227 M228 G229 D230A202-L211 HydrophobicContact CB-CD1 4.15Å; A202-Y213 HydrophobicContact CB-CD1 3.99Å; A202-Y213 HydrophobicContact CB-CE1 3.94Å; A202-L216 HydrophobicContact CB-CD1 3.58Å; A202-L227 HydrophobicContact CB-CD1 4.03Å; A202-M228 PolarHBondContact N-O 3.36Å; A202-G229 WeakPolarHBondContact O-CA 3.25Å; A202-D230 PolarHBondContact O-N 3.47Å
203G98.6Very high98.7Very high1 Ų134.8 Ų34.81%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-167.3154.2-178.700000112.4H153 D230H153-G203 PolarHBondContact CE1-O 3.23Å; G203-D230 WeakPolarHBondContact CA-O 3.44Å
204T98.8Very high98.7Very high19 Ų1932.2 Ų32.212%0.11717%0.167CC..  trans-144.5157.3-171.671.40000111.5L143 Y207 L211L143-T204 HydrophobicContact CD2-CG2 3.72Å; T204-Y207 HydrophobicContact CG2-CD1 4.17Å; T204-Y207 HydrophobicContact CG2-CG 4.12Å; T204-L211 HydrophobicContact CG2-CD1 4.39Å; T204-L211 HydrophobicContact CG2-CD2 4.08Å
205S98.2Very high98.8Very high15 Ų1527.5 Ų27.511%0.10514%0.14CC..SBendtrans-109.6-28.8167.3-680000112.9G148 H150 H233 R403G148-S205 PolarHBondContact O-N 3.43Å; H150-S205 WeakPolarHBondContact CB-OG 3.47Å; H150-S205 PolarHBondContact CD2-OG 3.13Å; S205-H233 PolarHBondContact O-CE1 2.73Å; S205-R403 PolarHBondContact O-NH1 3.33Å
206C98.4Very high98.8Very high7 Ų725.9 Ų25.95%0.04713%0.133CC..SBendtrans-140.771.7-179.6-169.10000110.8G148 R403G148-C206 VanDerWaalsContact CA-O 3.29Å; G148-C206 WeakPolarHBondContact CA-O 3.38Å; G148-C206 PolarHBondContact O-N 2.95Å; C206-R403 WeakPolarHBondContact SG-CD 3.42Å
207Y98.8Very high98.8Very high10 Ų1022 Ų224%0.03911%0.114CC..  trans-140.4124.3174.2-171.6-112.7000108.5V176 G181 I183 T204 R209 L211 N357V176-Y207 HydrophobicContact CG1-CE2 4.22Å; G181-Y207 WeakPolarHBondContact O-CE2 3.11Å; I183-Y207 HydrophobicContact CD1-CE1 4.15Å; I183-Y207 HydrophobicContact CD1-CE2 4.48Å; I183-Y207 HydrophobicContact CG1-CE2 4.05Å; I183-Y207 PolarHBondContact N-OH 2.81Å; T204-Y207 HydrophobicContact CG2-CD1 4.17Å; T204-Y207 HydrophobicContact CG2-CG 4.12Å; Y207-R209 VanDerWaalsContact C-N 3.34Å; Y207-R209 HydrophobicContact CD1-CB 4.23Å; Y207-R209 WeakPolarHBondContact CD1-O 3.25Å; Y207-R209 HydrophobicContact CE1-CB 3.6Å; Y207-R209 WeakPolarHBondContact CE1-O 3.27Å; Y207-L211 HydrophobicContact CD1-CD2 4.03Å; Y207-L211 HydrophobicContact CE1-CD2 3.91Å; Y207-N357 PolarHBondContact O-ND2 3.47Å
208S98.7Very high98.7Very high5 Ų526 Ų264%0.03513%0.133CC..  trans-89.12-17161.70000113.7T352 G354 S355 D356 L359S208-T352 PolarHBondContact OG-OG1 2.78Å; S208-T352 VanDerWaalsContact OG-OG1 3.07Å; S208-G354 WeakPolarHBondContact CB-O 3.19Å; S208-G354 PolarHBondContact OG-O 2.93Å; S208-S355 CarbonylContact O-C 3.55Å; S208-S355 WeakPolarHBondContact O-CA 3.27Å; S208-S355 PolarHBondContact O-OG 3.31Å; S208-D356 PolarHBondContact O-N 3.16Å; S208-L359 WeakPolarHBondContact CB-O 3.42Å
209R98.8Very high98.7Very high34 Ų3421.9 Ų21.913%0.12812%0.115CC..SBendtrans-116.1160.1-174.9-56.8-63.2179.6-179.74.2111.8Y182 Y207 T352 D356Y182-R209 HydrophobicContact CD1-CB 4.48Å; Y182-R209 HydrophobicContact CD1-CG 4.22Å; Y182-R209 HydrophobicContact CE1-CB 4.08Å; Y182-R209 HydrophobicContact CE1-CG 3.59Å; Y182-R209 PolarHBondContact OH-NE 2.82Å; Y207-R209 VanDerWaalsContact C-N 3.34Å; Y207-R209 HydrophobicContact CD1-CB 4.23Å; Y207-R209 WeakPolarHBondContact CD1-O 3.25Å; Y207-R209 HydrophobicContact CE1-CB 3.6Å; Y207-R209 WeakPolarHBondContact CE1-O 3.27Å; R209-T352 HydrophobicContact CG-CG2 4.08Å; R209-T352 PolarHBondContact NE-OG1 3.08Å; R209-T352 PolarHBondContact NH2-O 3.3Å; R209-T352 PolarHBondContact NH2-OG1 2.87Å; R209-D356 WeakPolarHBondContact CD-OD2 3.47Å; R209-D356 IonicContact CZ-OD1 3.13Å; R209-D356 IonicContact NH1-OD1 3.72Å; R209-D356 PolarHBondContact NH1-OD1 3.42Å; R209-D356 IonicContact NH1-OD2 3.51Å
210N98.8Very high98.7Very high58 Ų5821.9 Ų21.931%0.3112%0.115SC..  trans-67.2149.3171-67.2-39.9000110.8P244 D356N210-P244 HydrophobicContact CB-CG 4.32Å; N210-D356 PolarHBondContact N-OD2 2.67Å
211L98.9Very high98.7Very high16 Ų1626.3 Ų26.38%0.08414%0.139CC..  trans-86.5143.2172.6-64.1179.6000110I183 A202 T204 Y207 Y213 L216I183-L211 HydrophobicContact CD1-CD2 3.31Å; A202-L211 HydrophobicContact CB-CD1 4.15Å; T204-L211 HydrophobicContact CG2-CD1 4.39Å; T204-L211 HydrophobicContact CG2-CD2 4.08Å; Y207-L211 HydrophobicContact CD1-CD2 4.03Å; Y207-L211 HydrophobicContact CE1-CD2 3.91Å; L211-Y213 VanDerWaalsContact C-N 3.33Å; L211-Y213 HydrophobicContact CB-CD1 4.18Å; L211-Y213 HydrophobicContact CB-CE1 3.82Å; L211-Y213 HydrophobicContact CB-CE2 4.37Å; L211-Y213 HydrophobicContact CD1-CE1 3.87Å; L211-Y213 HydrophobicContact CG-CE1 4.44Å; L211-Y213 PolarHBondContact O-N 2.94Å; L211-Y213 VanDerWaalsContact O-N 3.1Å; L211-L216 HydrophobicContact CB-CD1 4.46Å
212D98.8Very high98.6Very high76 Ų7630.5 Ų30.541%0.40616%0.158SC..  trans-83.782.4170.6-169.1-21.2000109.4Y185 A214 R215 L216Y185-D212 HydrophobicContact CE1-CB 4.18Å; Y185-D212 HydrophobicContact CE2-CB 4.16Å; Y185-D212 PolarHBondContact OH-N 2.94Å; D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 PolarHBondContact OD1-N 2.86Å; D212-R215 HydrophobicContact CB-CB 3.93Å; D212-R215 PolarHBondContact O-N 3.01Å; D212-R215 WeakPolarHBondContact OD1-CB 3.32Å; D212-R215 PolarHBondContact OD1-N 3.36Å; D212-R215 WeakPolarHBondContact OD2-CB 2.88Å; D212-L216 WeakPolarHBondContact O-CG 3.4Å; D212-L216 PolarHBondContact O-N 2.88Å
213Y98.9Very high98.6Very high14 Ų1432 Ų326%0.05517%0.167CC..Hα-helixtrans-62.7-30.9-179.6-63.7-61.3000112.7A202 L211 K217 P246A202-Y213 HydrophobicContact CB-CD1 3.99Å; A202-Y213 HydrophobicContact CB-CE1 3.94Å; L211-Y213 VanDerWaalsContact C-N 3.33Å; L211-Y213 HydrophobicContact CB-CD1 4.18Å; L211-Y213 HydrophobicContact CB-CE1 3.82Å; L211-Y213 HydrophobicContact CB-CE2 4.37Å; L211-Y213 HydrophobicContact CD1-CE1 3.87Å; L211-Y213 HydrophobicContact CG-CE1 4.44Å; L211-Y213 PolarHBondContact O-N 2.94Å; L211-Y213 VanDerWaalsContact O-N 3.1Å; Y213-K217 VanDerWaalsContact O-CB 3.31Å; Y213-K217 WeakPolarHBondContact O-CB 3.22Å; Y213-K217 PolarHBondContact O-N 3.16Å; Y213-P246 HydrophobicContact CD1-CB 4.29Å; Y213-P246 HydrophobicContact CE1-CB 3.83Å; Y213-P246 HydrophobicContact CE2-CB 4.14Å
214A98.8Very high98.4Very high47 Ų4734.6 Ų34.639%0.38819%0.193SC..Hα-helixtrans-67.3-48177.700000110.7D212 L216 K217 Q218D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 PolarHBondContact OD1-N 2.86Å; A214-L216 PolarHBondContact O-N 2.61Å; A214-K217 PolarHBondContact O-N 2.96Å; A214-Q218 PolarHBondContact O-N 2.81Å
215R98.8Very high98.4Very high38 Ų3833.7 Ų33.714%0.14319%0.188CC..Hα-helixtrans-61-43.5175.3-17759.1169.8135.22.9111.9Y185 D186 Q189 D212 K217 Q218 I219Y185-R215 HydrophobicContact CD1-CG 4.06Å; Y185-R215 HydrophobicContact CG-CG 4.04Å; D186-R215 IonicContact OD1-CZ 3.68Å; D186-R215 IonicContact OD1-NH2 3.76Å; D186-R215 PolarHBondContact OD1-NH2 2.77Å; Q189-R215 VanDerWaalsContact OE1-CZ 3.3Å; D212-R215 HydrophobicContact CB-CB 3.93Å; D212-R215 PolarHBondContact O-N 3.01Å; D212-R215 WeakPolarHBondContact OD1-CB 3.32Å; D212-R215 PolarHBondContact OD1-N 3.36Å; D212-R215 WeakPolarHBondContact OD2-CB 2.88Å; R215-K217 VanDerWaalsContact C-N 3.33Å; R215-K217 PolarHBondContact O-N 2.9Å; R215-Q218 WeakPolarHBondContact O-CB 3.39Å; R215-Q218 PolarHBondContact O-N 3.41Å; R215-I219 HydrophobicContact CG-CD1 4.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.47Å; R215-I219 PolarHBondContact O-N 3.39Å; R215-I219 VanDerWaalsContact O-N 3.1Å
216L98.9Very high98.5Very high0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-63.1-38.6176.1-71.6163.8000112.3Y185 L188 I200 A202 L211 D212 A214 I219 A220 L227Y185-L216 HydrophobicContact CD1-CD2 4.16Å; Y185-L216 HydrophobicContact CD1-CG 4.22Å; Y185-L216 HydrophobicContact CE1-CD1 4.06Å; Y185-L216 HydrophobicContact CE1-CD2 4.03Å; Y185-L216 HydrophobicContact CE1-CG 3.82Å; L188-L216 HydrophobicContact CD2-CD2 3.39Å; I200-L216 HydrophobicContact CG2-CD2 4.34Å; A202-L216 HydrophobicContact CB-CD1 3.58Å; L211-L216 HydrophobicContact CB-CD1 4.46Å; D212-L216 WeakPolarHBondContact O-CG 3.4Å; D212-L216 PolarHBondContact O-N 2.88Å; A214-L216 PolarHBondContact O-N 2.61Å; L216-I219 PolarHBondContact O-N 2.87Å; L216-A220 WeakPolarHBondContact O-CB 3.4Å; L216-A220 PolarHBondContact O-N 3.34Å; L216-L227 HydrophobicContact CB-CD1 3.88Å; L216-L227 HydrophobicContact CB-CD2 4.22Å
217K98.6Very high98.5Very high32 Ų3233.8 Ų33.814%0.13919%0.185CC..Hα-helixtrans-68.7-38177.4-175.751.6166.1166.70112Y213 A214 R215 A220 N221 L227 H249 D251Y213-K217 VanDerWaalsContact O-CB 3.31Å; Y213-K217 WeakPolarHBondContact O-CB 3.22Å; Y213-K217 PolarHBondContact O-N 3.16Å; A214-K217 PolarHBondContact O-N 2.96Å; R215-K217 VanDerWaalsContact C-N 3.33Å; R215-K217 PolarHBondContact O-N 2.9Å; K217-A220 PolarHBondContact O-N 3.25Å; K217-N221 VanDerWaalsContact CE-OD1 3.26Å; K217-N221 WeakPolarHBondContact CE-OD1 3.37Å; K217-N221 PolarHBondContact NZ-OD1 2.93Å; K217-N221 WeakPolarHBondContact O-CB 3.39Å; K217-N221 PolarHBondContact O-N 3.49Å; K217-N221 PolarHBondContact O-ND2 2.88Å; K217-L227 HydrophobicContact CB-CD2 3.76Å; K217-L227 HydrophobicContact CD-CB 4.17Å; K217-L227 HydrophobicContact CD-CD2 4.2Å; K217-H249 HydrophobicContact CB-CB 3.99Å; K217-H249 VanDerWaalsContact CD-O 3.31Å; K217-H249 WeakPolarHBondContact CD-O 3.35Å; K217-H249 VanDerWaalsContact CE-O 3.29Å; K217-H249 WeakPolarHBondContact CE-O 3.28Å; K217-H249 HydrophobicContact CG-CB 4.32Å; K217-D251 IonicContact NZ-OD1 3.9Å; K217-D251 PolarHBondContact NZ-OD1 2.94Å; K217-D251 IonicContact NZ-OD2 2.68Å; K217-D251 PolarHBondContact NZ-OD2 2.75Å
218Q98.7Very high98.5Very high87 Ų8733.3 Ų33.341%0.40718%0.183SC..Hα-helixtrans-56.2-53.5171.5-177.3-163.6-13.900110.5A214 R215 A220 N221 E222A214-Q218 PolarHBondContact O-N 2.81Å; R215-Q218 WeakPolarHBondContact O-CB 3.39Å; R215-Q218 PolarHBondContact O-N 3.41Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 2.88Å; Q218-N221 PolarHBondContact O-N 3.33Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.44Å; Q218-E222 PolarHBondContact NE2-OE1 2.79Å; Q218-E222 WeakPolarHBondContact O-CG 3.41Å; Q218-E222 PolarHBondContact O-N 3.46Å
219I98.8Very high98.5Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-60.8-42-179.2-61.4166.2000111.1L188 Q189 A192 I200 R215 L216 E222 N223L188-I219 HydrophobicContact CD2-CD1 4.17Å; L188-I219 HydrophobicContact CG-CD1 4.1Å; Q189-I219 HydrophobicContact CB-CD1 3.93Å; Q189-I219 HydrophobicContact CB-CG1 3.94Å; Q189-I219 HydrophobicContact CB-CG2 4.5Å; Q189-I219 HydrophobicContact CG-CG1 4.08Å; A192-I219 HydrophobicContact CB-CG2 3.82Å; I200-I219 HydrophobicContact CD1-CG2 3.85Å; R215-I219 HydrophobicContact CG-CD1 4.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.47Å; R215-I219 PolarHBondContact O-N 3.39Å; R215-I219 VanDerWaalsContact O-N 3.1Å; L216-I219 PolarHBondContact O-N 2.87Å; I219-E222 PolarHBondContact O-N 3.34Å; I219-N223 PolarHBondContact O-N 2.69Å; I219-N223 PolarHBondContact O-ND2 2.99Å
220A98.6Very high98.5Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-61.5-4717700000111.5I200 L216 K217 Q218 N223 G224 A225 L227I200-A220 HydrophobicContact CD1-CB 4.25Å; L216-A220 WeakPolarHBondContact O-CB 3.4Å; L216-A220 PolarHBondContact O-N 3.34Å; K217-A220 PolarHBondContact O-N 3.25Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 2.88Å; A220-N223 CarbonylContact O-C 3.58Å; A220-N223 PolarHBondContact O-N 2.84Å; A220-G224 PolarHBondContact O-N 2.98Å; A220-G224 VanDerWaalsContact O-N 3.08Å; A220-A225 HydrophobicContact CB-CB 4.29Å; A220-A225 PolarHBondContact O-N 3Å; A220-L227 HydrophobicContact CB-CB 4.04Å
221N97.4Very high98.5Very high94 Ų9429.5 Ų29.550%0.50316%0.164SC..Hα-helixtrans-63.8-41.3179.4-71.1-12.6000112.5K217 Q218 N223 G224K217-N221 VanDerWaalsContact CE-OD1 3.26Å; K217-N221 WeakPolarHBondContact CE-OD1 3.37Å; K217-N221 PolarHBondContact NZ-OD1 2.93Å; K217-N221 WeakPolarHBondContact O-CB 3.39Å; K217-N221 PolarHBondContact O-N 3.49Å; K217-N221 PolarHBondContact O-ND2 2.88Å; Q218-N221 PolarHBondContact O-N 3.33Å; N221-N223 PolarHBondContact O-N 3.36Å; N221-G224 PolarHBondContact O-N 3.17Å; N221-G224 VanDerWaalsContact O-N 3.1Å
222E97.9Very high98.5Very high88 Ų8829.1 Ų29.141%0.41116%0.164SC..Hα-helixtrans-58.2-29.3175.5-75.1174.5-169.500112.8Q189 Q218 I219Q189-E222 PolarHBondContact NE2-OE1 2.71Å; Q189-E222 PolarHBondContact NE2-OE2 2.97Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.44Å; Q218-E222 PolarHBondContact NE2-OE1 2.79Å; Q218-E222 WeakPolarHBondContact O-CG 3.41Å; Q218-E222 PolarHBondContact O-N 3.46Å; I219-E222 PolarHBondContact O-N 3.34Å
223N98Very high98.5Very high32 Ų3225.9 Ų25.917%0.17115%0.146CC..THydrogen-bonded Turntrans-101.83.9-179.9-68.6-82.6000113.3A192 Q193 I219 A220 N221 A225A192-N223 PolarHBondContact O-OD1 2.98Å; A192-N223 VanDerWaalsContact O-OD1 3.1Å; Q193-N223 WeakPolarHBondContact CA-OD1 3.32Å; I219-N223 PolarHBondContact O-N 2.69Å; I219-N223 PolarHBondContact O-ND2 2.99Å; A220-N223 CarbonylContact O-C 3.58Å; A220-N223 PolarHBondContact O-N 2.84Å; N221-N223 PolarHBondContact O-N 3.36Å; N223-A225 PolarHBondContact O-N 3.25Å
224G96Very high98.5Very high55 Ų5526.3 Ų26.357%0.56715%0.149SC*.THydrogen-bonded Turntrans64.515-174.300000114.6A220 N221A220-G224 PolarHBondContact O-N 2.98Å; A220-G224 VanDerWaalsContact O-N 3.08Å; N221-G224 PolarHBondContact O-N 3.17Å; N221-G224 VanDerWaalsContact O-N 3.1Å
225A98.3Very high98.5Very high0 Ų024.1 Ų24.10%013%0.131CC..PPolyproline II helixtrans-79.9158.9-177.400000112.1P197 K198 I200 A220 N223P197-A225 VanDerWaalsContact O-CB 3.24Å; P197-A225 WeakPolarHBondContact O-CB 3.5Å; K198-A225 WeakPolarHBondContact O-CA 3.5Å; I200-A225 HydrophobicContact CG1-CB 4.42Å; A220-A225 HydrophobicContact CB-CB 4.29Å; A220-A225 PolarHBondContact O-N 3Å; N223-A225 PolarHBondContact O-N 3.25Å
226Y98.8Very high98.5Very high24 Ų2422.3 Ų22.39%0.09412%0.124CC..EExtended strand (participates in β ladder)trans-77.8144.7160.8-72.7-68.3000110.8V133 K198 L199 I200 D251 R276 Y287 L289V133-Y226 HydrophobicContact CB-CD2 3.97Å; V133-Y226 HydrophobicContact CB-CE2 3.9Å; V133-Y226 HydrophobicContact CG1-CE2 4.38Å; V133-Y226 HydrophobicContact CG2-CD2 3.95Å; V133-Y226 HydrophobicContact CG2-CE2 4.4Å; K198-Y226 PolarHBondContact O-N 3.43Å; L199-Y226 WeakPolarHBondContact CA-O 3.39Å; I200-Y226 PolarHBondContact N-O 2.82Å; Y226-D251 HydrophobicContact CD1-CB 3.82Å; Y226-R276 VanDerWaalsContact CZ-NH1 3.29Å; Y226-R276 PolarHBondContact OH-NH1 3.44Å; Y226-R276 VanDerWaalsContact OH-NH1 3.09Å; Y226-Y287 HydrophobicContact CE1-CE1 4.43Å; Y226-L289 HydrophobicContact CD1-CD2 4.49Å; Y226-L289 HydrophobicContact CE1-CD2 3.88Å; Y226-L289 HydrophobicContact CE1-CG 4.5Å
227L98.9Very high98.5Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-99.8120.8164.8-177.665.6000109.9I200 A202 L216 K217 A220 H249 C250 D251 I252I200-L227 HydrophobicContact CB-CD1 4.41Å; I200-L227 HydrophobicContact CG2-CD1 4.37Å; A202-L227 HydrophobicContact CB-CD1 4.03Å; L216-L227 HydrophobicContact CB-CD1 3.88Å; L216-L227 HydrophobicContact CB-CD2 4.22Å; K217-L227 HydrophobicContact CB-CD2 3.76Å; K217-L227 HydrophobicContact CD-CB 4.17Å; K217-L227 HydrophobicContact CD-CD2 4.2Å; A220-L227 HydrophobicContact CB-CB 4.04Å; L227-H249 HydrophobicContact CD2-CB 4.46Å; L227-C250 HydrophobicContact CD2-CB 4.47Å; L227-C250 HydrophobicContact CG-CB 4.41Å; L227-D251 PolarHBondContact N-OD2 3.38Å; L227-D251 PolarHBondContact O-N 3.48Å; L227-I252 PolarHBondContact O-N 2.87Å
228M98.9Very high98.5Very high0 Ų021.3 Ų21.30%012%0.121CC..EExtended strand (participates in β ladder)trans-109.9120175.7174.9179.7153.200110.6N126 V129 Y130 L199 I200 I201 A202 D230 I252 T254N126-M228 HydrophobicContact CB-CE 4.06Å; N126-M228 VanDerWaalsContact OD1-CE 3.24Å; N126-M228 WeakPolarHBondContact OD1-CE 3.46Å; V129-M228 HydrophobicContact CB-SD 4.15Å; V129-M228 HydrophobicContact CG1-SD 3.63Å; Y130-M228 HydrophobicContact CD1-SD 4.37Å; Y130-M228 HydrophobicContact CE1-CE 4.12Å; Y130-M228 HydrophobicContact CE1-SD 3.66Å; L199-M228 HydrophobicContact CD1-CB 4.09Å; L199-M228 HydrophobicContact CD1-SD 4.33Å; L199-M228 HydrophobicContact CD2-CB 3.97Å; L199-M228 HydrophobicContact CD2-SD 4.28Å; L199-M228 HydrophobicContact CG-CB 4.15Å; I200-M228 PolarHBondContact O-N 3.32Å; I201-M228 CarbonylContact C-O 3.54Å; I201-M228 WeakPolarHBondContact CA-O 3.42Å; A202-M228 PolarHBondContact N-O 3.36Å; M228-D230 HydrophobicContact CE-CB 4.41Å; M228-I252 CarbonylContact C-O 3.2Å; M228-I252 VanDerWaalsContact CA-O 3.3Å; M228-I252 WeakPolarHBondContact CA-O 3.27Å; M228-I252 HydrophobicContact CG-CB 4.48Å; M228-I252 HydrophobicContact CG-CG2 4.45Å; M228-T254 HydrophobicContact CE-CG2 3.45Å; M228-T254 VanDerWaalsContact CE-CG2 3.45Å; M228-T254 WeakPolarHBondContact CE-OG1 3.5Å; M228-T254 HydrophobicContact SD-CG2 4.35Å
229G98.9Very high98.6Very high0 Ų018.1 Ų18.10%011%0.109CC..EExtended strand (participates in β ladder)trans-87.2116.9170.100000111.3A202 I252 V253 T254A202-G229 WeakPolarHBondContact O-CA 3.25Å; G229-I252 PolarHBondContact N-O 3.41Å; G229-V253 CarbonylContact O-C 3.58Å; G229-V253 VanDerWaalsContact O-CA 3.23Å; G229-V253 WeakPolarHBondContact O-CA 3.38Å; G229-V253 WeakPolarHBondContact O-CG1 3.44Å; G229-T254 PolarHBondContact O-N 3.2Å
230D98.9Very high98.6Very high15 Ų1518.5 Ų18.58%0.0811%0.113CC..EExtended strand (participates in β ladder)trans-9897.7167.3-179-12.3000108.5N126 H153 I201 A202 G203 M228 A232N126-D230 PolarHBondContact ND2-OD2 3.42Å; H153-D230 IonicContact CD2-OD2 2.97Å; H153-D230 IonicContact CE1-OD2 2.87Å; H153-D230 IonicContact NE2-OD2 3.29Å; H153-D230 PolarHBondContact NE2-OD2 2.7Å; I201-D230 HydrophobicContact CG2-CB 4.29Å; A202-D230 PolarHBondContact O-N 3.47Å; G203-D230 WeakPolarHBondContact CA-O 3.44Å; M228-D230 HydrophobicContact CE-CB 4.41Å; D230-A232 WeakPolarHBondContact OD1-CB 3.43Å; D230-A232 PolarHBondContact OD1-N 2.81Å; D230-A232 VanDerWaalsContact OD1-N 3.14Å
231M98.9Very high98.6Very high1 Ų121.2 Ų21.21%0.00514%0.141CC..  trans-95.816.4-174.571170.9179.800113.2F106 H233 I234 S235 V238 P246 F247 V253 T254 T255 F270F106-M231 HydrophobicContact CD1-CE 4.17Å; F106-M231 HydrophobicContact CD2-CE 4.41Å; F106-M231 HydrophobicContact CE1-CE 3.56Å; F106-M231 HydrophobicContact CE1-SD 4.11Å; F106-M231 HydrophobicContact CE2-CE 3.89Å; F106-M231 HydrophobicContact CZ-CE 3.43Å; F106-M231 VanDerWaalsContact CZ-CE 3.43Å; F106-M231 HydrophobicContact CZ-SD 4.5Å; M231-H233 PolarHBondContact O-N 2.91Å; M231-I234 HydrophobicContact CB-CG1 3.96Å; M231-I234 CarbonylContact O-C 3.53Å; M231-I234 PolarHBondContact O-N 2.9Å; M231-S235 PolarHBondContact O-N 2.66Å; M231-V238 HydrophobicContact SD-CB 4.42Å; M231-V238 HydrophobicContact SD-CG1 4.32Å; M231-V238 HydrophobicContact SD-CG2 4.45Å; M231-P246 HydrophobicContact CB-CG 4.14Å; M231-P246 HydrophobicContact SD-CG 3.98Å; M231-F247 HydrophobicContact CE-CE2 3.7Å; M231-F247 HydrophobicContact CE-CZ 3.66Å; M231-F247 HydrophobicContact SD-CE2 3.8Å; M231-F247 HydrophobicContact SD-CZ 4.25Å; M231-V253 HydrophobicContact CB-CG1 4.42Å; M231-V253 HydrophobicContact CE-CG1 3.85Å; M231-V253 HydrophobicContact CG-CG1 3.73Å; M231-V253 HydrophobicContact SD-CG1 3.71Å; M231-T254 PolarHBondContact N-O 3.29Å; M231-T255 HydrophobicContact CE-CG2 3.76Å; M231-F270 HydrophobicContact CE-CD2 4.46Å; M231-F270 HydrophobicContact CE-CE2 4.1Å
232A98.9Very high98.6Very high9 Ų919.1 Ų19.17%0.07413%0.129CC..THydrogen-bonded Turntrans-48-39.4-172.700000114.3D230 T256 K259D230-A232 WeakPolarHBondContact OD1-CB 3.43Å; D230-A232 PolarHBondContact OD1-N 2.81Å; D230-A232 VanDerWaalsContact OD1-N 3.14Å; A232-T256 HydrophobicContact CB-CG2 4.11Å; A232-T256 WeakPolarHBondContact CB-OG1 3.5Å; A232-T256 PolarHBondContact O-OG1 2.97Å; A232-K259 WeakPolarHBondContact O-CD 3.43Å
233H98.9Very high98.7Very high8 Ų815.6 Ų15.64%0.03711%0.114CC..THydrogen-bonded Turntrans-77.2-28.2-179.5-98.8-97.1000113.6S205 M231 T260 H358 R403S205-H233 PolarHBondContact O-CE1 2.73Å; M231-H233 PolarHBondContact O-N 2.91Å; H233-T260 WeakPolarHBondContact O-CG2 3.38Å; H233-T260 PolarHBondContact O-OG1 3.45Å; H233-H358 AromaticContact ND1-CE1 3.76Å; H233-H358 AromaticContact ND1-NE2 3.48Å; H233-H358 PolarHBondContact ND1-NE2 3.31Å; H233-H358 PolarHBondContact O-CE1 3.4Å; H233-H358 PolarHBondContact O-NE2 3.41Å; H233-R403 PolarHBondContact CE1-NH1 3.35Å
234I98.9Very high98.7Very high23 Ų2317.2 Ų17.212%0.11813%0.126CC..THydrogen-bonded Turntrans-116.74.6-171.162.4166.3000113.7M231 G236 L237 V238 V243M231-I234 HydrophobicContact CB-CG1 3.96Å; M231-I234 CarbonylContact O-C 3.53Å; M231-I234 PolarHBondContact O-N 2.9Å; I234-G236 PolarHBondContact O-N 2.89Å; I234-G236 VanDerWaalsContact O-N 3.15Å; I234-L237 HydrophobicContact CB-CD1 4.29Å; I234-L237 HydrophobicContact CG2-CD1 4.15Å; I234-L237 WeakPolarHBondContact O-CA 3.31Å; I234-L237 WeakPolarHBondContact O-CB 3.34Å; I234-L237 PolarHBondContact O-N 2.96Å; I234-V238 HydrophobicContact CD1-CG2 3.88Å; I234-V238 HydrophobicContact CG1-CG2 4.01Å; I234-V238 WeakPolarHBondContact O-CG2 3.44Å; I234-V238 PolarHBondContact O-N 3.28Å; I234-V243 HydrophobicContact CD1-CG2 4.36Å
235S98.9Very high98.8Very high0 Ų016 Ų160%011%0.108CC..Hα-helixtrans-55.9-36.3-174.255.10000113.9F106 M231 A239 T255 T260F106-S235 WeakPolarHBondContact CE1-O 3.33Å; M231-S235 PolarHBondContact O-N 2.66Å; S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 3.1Å; S235-T255 WeakPolarHBondContact CB-OG1 3.41Å; S235-T255 PolarHBondContact OG-OG1 3.47Å; S235-T260 PolarHBondContact N-OG1 3.47Å
236G98.9Very high98.8Very high0 Ų016 Ų160%011%0.108CC..Hα-helixtrans-67.6-39.1172.800000113.6I234 A239 A240 T260 Q329I234-G236 PolarHBondContact O-N 2.89Å; I234-G236 VanDerWaalsContact O-N 3.15Å; G236-A239 PolarHBondContact O-N 3.01Å; G236-A240 WeakPolarHBondContact O-CB 3.41Å; G236-A240 PolarHBondContact O-N 3.31Å; G236-A240 VanDerWaalsContact O-N 3.09Å; G236-T260 PolarHBondContact N-OG1 3.36Å; G236-T260 VanDerWaalsContact N-OG1 3.15Å; G236-Q329 VanDerWaalsContact CA-NE2 3.33Å
237L98.9Very high98.9Very high0 Ų015.1 Ų15.10%011%0.105CC..Hα-helixtrans-67.5-38.8177.4-58174.9000111.4I234 A240 G241 L242 V243 Q329 V332 L333 N357 H358I234-L237 HydrophobicContact CB-CD1 4.29Å; I234-L237 HydrophobicContact CG2-CD1 4.15Å; I234-L237 WeakPolarHBondContact O-CA 3.31Å; I234-L237 WeakPolarHBondContact O-CB 3.34Å; I234-L237 PolarHBondContact O-N 2.96Å; L237-A240 PolarHBondContact O-N 3.22Å; L237-G241 PolarHBondContact O-N 3.48Å; L237-L242 PolarHBondContact O-N 3.4Å; L237-V243 HydrophobicContact CB-CB 4.46Å; L237-V243 HydrophobicContact CB-CG1 4.04Å; L237-V243 HydrophobicContact CB-CG2 3.6Å; L237-V243 HydrophobicContact CD1-CG1 4.14Å; L237-Q329 HydrophobicContact CD2-CB 4.1Å; L237-V332 HydrophobicContact CD2-CG1 4.37Å; L237-L333 HydrophobicContact CD1-CD2 4.06Å; L237-L333 HydrophobicContact CD2-CD2 3.95Å; L237-L333 HydrophobicContact CD2-CG 4.05Å; L237-N357 HydrophobicContact CD1-CB 4.13Å; L237-H358 HydrophobicContact CD1-CB 4.3Å
238V98.9Very high98.8Very high12 Ų1220.3 Ų20.37%0.07313%0.133CC..Hα-helixtrans-66-47.8175.4176.20000110.3F106 M231 I234 A240 G241 V243 F247F106-V238 HydrophobicContact CD1-CG1 3.89Å; F106-V238 HydrophobicContact CE1-CB 4.27Å; F106-V238 HydrophobicContact CE1-CG1 4.12Å; M231-V238 HydrophobicContact SD-CB 4.42Å; M231-V238 HydrophobicContact SD-CG1 4.32Å; M231-V238 HydrophobicContact SD-CG2 4.45Å; I234-V238 HydrophobicContact CD1-CG2 3.88Å; I234-V238 HydrophobicContact CG1-CG2 4.01Å; I234-V238 WeakPolarHBondContact O-CG2 3.44Å; I234-V238 PolarHBondContact O-N 3.28Å; V238-A240 PolarHBondContact O-N 3.35Å; V238-G241 WeakPolarHBondContact O-CA 3.4Å; V238-G241 PolarHBondContact O-N 2.92Å; V238-V243 HydrophobicContact CG2-CG2 3.74Å; V238-F247 HydrophobicContact CG1-CD2 4.42Å; V238-F247 HydrophobicContact CG1-CE2 4.43Å
239A98.9Very high98.8Very high19 Ų1923.6 Ų23.616%0.15715%0.148CC..Hα-helixtrans-59.3-34.6177.600000112.5A105 F106 S235 G236 G241 L261 A320A105-A239 WeakPolarHBondContact O-CA 3.38Å; F106-A239 HydrophobicContact CD1-CB 4.16Å; F106-A239 HydrophobicContact CE1-CB 3.73Å; F106-A239 HydrophobicContact CZ-CB 4.22Å; S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 3.1Å; G236-A239 PolarHBondContact O-N 3.01Å; A239-G241 VanDerWaalsContact C-N 3.27Å; A239-G241 PolarHBondContact O-N 3.03Å; A239-L261 HydrophobicContact CB-CD1 4.29Å; A239-A320 HydrophobicContact CB-CB 4.45Å
240A98.9Very high98.8Very high9 Ų923.6 Ų23.67%0.07415%0.148CC..THydrogen-bonded Turntrans-77.6-7.7175.100000114.3G236 L237 V238 L242 K326 Q329G236-A240 WeakPolarHBondContact O-CB 3.41Å; G236-A240 PolarHBondContact O-N 3.31Å; G236-A240 VanDerWaalsContact O-N 3.09Å; L237-A240 PolarHBondContact O-N 3.22Å; V238-A240 PolarHBondContact O-N 3.35Å; A240-L242 HydrophobicContact CB-CD1 4.03Å; A240-L242 HydrophobicContact CB-CG 3.99Å; A240-K326 HydrophobicContact CB-CB 4.39Å; A240-K326 HydrophobicContact CB-CG 4.27Å; A240-K326 VanDerWaalsContact O-CE 3.28Å; A240-K326 WeakPolarHBondContact O-CE 3.41Å; A240-Q329 HydrophobicContact CB-CB 3.76Å; A240-Q329 HydrophobicContact CB-CG 3.78Å
241G98.6Very high98.8Very high57 Ų5722.9 Ų22.959%0.58814%0.144SC*.THydrogen-bonded Turntrans67.533.7-178.100000113.8L237 V238 A239L237-G241 PolarHBondContact O-N 3.48Å; V238-G241 WeakPolarHBondContact O-CA 3.4Å; V238-G241 PolarHBondContact O-N 2.92Å; A239-G241 VanDerWaalsContact C-N 3.27Å; A239-G241 PolarHBondContact O-N 3.03Å
242L98.8Very high98.8Very high50 Ų5022.9 Ų22.926%0.26214%0.144SC..  trans-105.2-13-175.5-62.3178.7000114.1L237 A240 Q329 L330 L333L237-L242 PolarHBondContact O-N 3.4Å; A240-L242 HydrophobicContact CB-CD1 4.03Å; A240-L242 HydrophobicContact CB-CG 3.99Å; L242-Q329 VanDerWaalsContact CD1-C 3.46Å; L242-Q329 HydrophobicContact CD1-CB 3.57Å; L242-L330 HydrophobicContact CD1-CB 4.03Å; L242-L330 VanDerWaalsContact CD1-N 3.28Å; L242-L330 HydrophobicContact CD2-CD1 4.35Å; L242-L333 HydrophobicContact CB-CD1 3.86Å; L242-L333 HydrophobicContact CD1-CD1 4.23Å
243V98.8Very high98.8Very high14 Ų1422.4 Ų22.49%0.08514%0.141CC..SBendtrans-132.4158.4173.5-610000109.5I234 L237 V238 S245I234-V243 HydrophobicContact CD1-CG2 4.36Å; L237-V243 HydrophobicContact CB-CB 4.46Å; L237-V243 HydrophobicContact CB-CG1 4.04Å; L237-V243 HydrophobicContact CB-CG2 3.6Å; L237-V243 HydrophobicContact CD1-CG1 4.14Å; V238-V243 HydrophobicContact CG2-CG2 3.74Å; V243-S245 PolarHBondContact O-N 3.06Å
244P98.6Very high98.8Very high66 Ų6622 Ų2243%0.42914%0.139SC..  trans-53.7138179-2736000112.8N210N210-P244 HydrophobicContact CB-CG 4.32Å
245S98.8Very high98.8Very high28 Ų2821 Ų2120%0.19613%0.134CC..  trans-85.9127.3-176.2-177.50000111.3V243 F247 D248V243-S245 PolarHBondContact O-N 3.06Å; S245-F247 PolarHBondContact O-N 3.43Å; S245-F247 WeakPolarHBondContact OG-CB 3.41Å; S245-F247 WeakPolarHBondContact OG-CD2 3.49Å; S245-F247 PolarHBondContact OG-N 3.13Å; S245-D248 PolarHBondContact O-N 2.84Å
246P98.8Very high98.8Very high0 Ų021.2 Ų21.20%014%0.135CC..G310 helixtrans-65.2-20.417227.5-34.6000112.4Y213 M231 D248 H249 C250 V253Y213-P246 HydrophobicContact CD1-CB 4.29Å; Y213-P246 HydrophobicContact CE1-CB 3.83Å; Y213-P246 HydrophobicContact CE2-CB 4.14Å; M231-P246 HydrophobicContact CB-CG 4.14Å; M231-P246 HydrophobicContact SD-CG 3.98Å; P246-D248 PolarHBondContact O-N 2.78Å; P246-H249 PolarHBondContact O-N 2.95Å; P246-C250 VanDerWaalsContact O-CB 3.26Å; P246-C250 WeakPolarHBondContact O-CB 3.36Å; P246-C250 PolarHBondContact O-N 2.89Å; P246-C250 PolarHBondContact O-SG 3.17Å; P246-C250 VanDerWaalsContact O-SG 3.34Å; P246-V253 HydrophobicContact CB-CG2 4.26Å; P246-V253 HydrophobicContact CG-CG1 4.08Å; P246-V253 HydrophobicContact CG-CG2 4.36Å
247F98.8Very high98.8Very high6 Ų621.2 Ų21.23%0.02614%0.135CC..G310 helixtrans-68.3-10.9-178.6-64.9-80.9000114F106 L108 W113 M231 V238 S245 H249 V253 F270 R272F106-F247 HydrophobicContact CB-CD2 4.23Å; F106-F247 HydrophobicContact CB-CE2 3.73Å; F106-F247 HydrophobicContact CB-CZ 4.11Å; F106-F247 HydrophobicContact CD1-CD2 4.48Å; F106-F247 AromaticContact CD1-CE2 3.64Å; F106-F247 HydrophobicContact CD1-CE2 3.64Å; F106-F247 HydrophobicContact CD1-CZ 4.35Å; F106-F247 HydrophobicContact CD2-CE2 4.33Å; F106-F247 HydrophobicContact CD2-CZ 4.25Å; F106-F247 HydrophobicContact CE1-CE2 4.34Å; F106-F247 AromaticContact CG-CE2 3.64Å; F106-F247 HydrophobicContact CG-CE2 3.64Å; F106-F247 AromaticContact CG-CZ 3.99Å; F106-F247 HydrophobicContact CG-CZ 3.99Å; L108-F247 HydrophobicContact CD1-CD1 3.65Å; L108-F247 HydrophobicContact CD1-CE1 3.43Å; L108-F247 VanDerWaalsContact CD1-CE1 3.43Å; L108-F247 HydrophobicContact CD1-CG 4.31Å; L108-F247 HydrophobicContact CD1-CZ 3.92Å; L108-F247 HydrophobicContact CD2-CB 3.71Å; L108-F247 HydrophobicContact CD2-CD1 3.63Å; L108-F247 HydrophobicContact CD2-CD2 4.18Å; L108-F247 HydrophobicContact CD2-CE1 4.24Å; L108-F247 HydrophobicContact CD2-CG 3.58Å; L108-F247 HydrophobicContact CG-CD1 4.29Å; L108-F247 HydrophobicContact CG-CE1 4.44Å; W113-F247 HydrophobicContact CD2-CD1 4.22Å; W113-F247 AromaticContact CE2-CD1 3.93Å; W113-F247 HydrophobicContact CE3-CD1 4.19Å; W113-F247 HydrophobicContact CE3-CE1 4.41Å; W113-F247 AromaticContact CH2-CD1 3.69Å; W113-F247 HydrophobicContact CH2-CD1 3.69Å; W113-F247 HydrophobicContact CH2-CE1 4.39Å; W113-F247 HydrophobicContact CZ2-CB 4Å; W113-F247 AromaticContact CZ2-CD1 3.64Å; W113-F247 HydrophobicContact CZ2-CD1 3.64Å; W113-F247 HydrophobicContact CZ2-CG 4.33Å; W113-F247 WeakPolarHBondContact CZ2-O 3.35Å; W113-F247 AromaticContact CZ3-CD1 3.95Å; W113-F247 HydrophobicContact CZ3-CD1 3.95Å; W113-F247 HydrophobicContact CZ3-CE1 4.25Å; M231-F247 HydrophobicContact CE-CE2 3.7Å; M231-F247 HydrophobicContact CE-CZ 3.66Å; M231-F247 HydrophobicContact SD-CE2 3.8Å; M231-F247 HydrophobicContact SD-CZ 4.25Å; V238-F247 HydrophobicContact CG1-CD2 4.42Å; V238-F247 HydrophobicContact CG1-CE2 4.43Å; S245-F247 PolarHBondContact O-N 3.43Å; S245-F247 WeakPolarHBondContact OG-CB 3.41Å; S245-F247 WeakPolarHBondContact OG-CD2 3.49Å; S245-F247 PolarHBondContact OG-N 3.13Å; F247-H249 VanDerWaalsContact C-N 3.35Å; F247-V253 HydrophobicContact CD1-CB 4.21Å; F247-V253 HydrophobicContact CD1-CG2 3.76Å; F247-V253 HydrophobicContact CE1-CB 3.68Å; F247-V253 HydrophobicContact CE1-CG1 4.04Å; F247-V253 HydrophobicContact CE1-CG2 3.77Å; F247-V253 HydrophobicContact CE2-CG1 4.25Å; F247-V253 HydrophobicContact CG-CG2 4.28Å; F247-V253 HydrophobicContact CZ-CB 3.98Å; F247-V253 HydrophobicContact CZ-CG1 3.8Å; F247-V253 HydrophobicContact CZ-CG2 4.31Å; F247-F270 HydrophobicContact CE1-CB 3.64Å; F247-F270 HydrophobicContact CE1-CD1 4.01Å; F247-F270 HydrophobicContact CE1-CD2 4.06Å; F247-F270 AromaticContact CE1-CG 3.65Å; F247-F270 HydrophobicContact CE1-CG 3.65Å; F247-F270 HydrophobicContact CZ-CB 4.32Å; F247-F270 HydrophobicContact CZ-CD1 4.21Å; F247-F270 AromaticContact CZ-CD2 3.85Å; F247-F270 HydrophobicContact CZ-CD2 3.85Å; F247-F270 HydrophobicContact CZ-CE2 4.18Å; F247-F270 AromaticContact CZ-CG 3.88Å; F247-F270 HydrophobicContact CZ-CG 3.88Å; F247-F270 HydrophobicContact CZ-CZ 4.49Å; F247-R272 VanDerWaalsContact O-CZ 3.3Å; F247-R272 PolarHBondContact O-NH1 2.88Å; F247-R272 PolarHBondContact O-NH2 2.76Å
248D98.2Very high98.8Very high110 Ų11022.4 Ų22.459%0.58814%0.14SC*.G310 helixtrans-75.2-28.7176.4-64.8-28.4000111.6S245 P246 R272S245-D248 PolarHBondContact O-N 2.84Å; P246-D248 PolarHBondContact O-N 2.78Å; D248-R272 PolarHBondContact O-NH2 2.62Å
249H98.6Very high98.8Very high68 Ų6823.1 Ų23.132%0.31514%0.142SC..THydrogen-bonded Turntrans-127.2-32.6-170.6-60.3-71.8000114.5K217 L227 P246 F247K217-H249 HydrophobicContact CB-CB 3.99Å; K217-H249 VanDerWaalsContact CD-O 3.31Å; K217-H249 WeakPolarHBondContact CD-O 3.35Å; K217-H249 VanDerWaalsContact CE-O 3.29Å; K217-H249 WeakPolarHBondContact CE-O 3.28Å; K217-H249 HydrophobicContact CG-CB 4.32Å; L227-H249 HydrophobicContact CD2-CB 4.46Å; P246-H249 PolarHBondContact O-N 2.95Å; F247-H249 VanDerWaalsContact C-N 3.35Å
250C98.8Very high98.8Very high0 Ų022.2 Ų22.20%014%0.135CC..  trans-70.4151.5-175.8-63.70000112.4L227 P246 V253 R272L227-C250 HydrophobicContact CD2-CB 4.47Å; L227-C250 HydrophobicContact CG-CB 4.41Å; P246-C250 VanDerWaalsContact O-CB 3.26Å; P246-C250 WeakPolarHBondContact O-CB 3.36Å; P246-C250 PolarHBondContact O-N 2.89Å; P246-C250 PolarHBondContact O-SG 3.17Å; P246-C250 VanDerWaalsContact O-SG 3.34Å; C250-V253 HydrophobicContact CB-CG2 3.83Å; C250-R272 PolarHBondContact O-NE 3.19Å; C250-R272 VanDerWaalsContact O-NE 3.16Å; C250-R272 PolarHBondContact O-NH2 2.89Å
251D98.8Very high98.8Very high1 Ų121.9 Ų21.91%0.00513%0.132CC..SBendtrans-84.9-35.6172.7-58.9-70.2000111K217 Y226 L227 R272 Y287 L289K217-D251 IonicContact NZ-OD1 3.9Å; K217-D251 PolarHBondContact NZ-OD1 2.94Å; K217-D251 IonicContact NZ-OD2 2.68Å; K217-D251 PolarHBondContact NZ-OD2 2.75Å; Y226-D251 HydrophobicContact CD1-CB 3.82Å; L227-D251 PolarHBondContact N-OD2 3.38Å; L227-D251 PolarHBondContact O-N 3.48Å; D251-R272 WeakPolarHBondContact O-CG 3.46Å; D251-R272 PolarHBondContact O-N 3.21Å; D251-Y287 HydrophobicContact CB-CE1 4.22Å; D251-Y287 PolarHBondContact OD1-OH 3.09Å; D251-L289 HydrophobicContact CB-CD1 4.48Å; D251-L289 WeakPolarHBondContact O-CD1 3.29Å
252I98.9Very high98.8Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-133.5140-178.9-56.9168000107.5V129 V133 L227 M228 G229 T254 I269 F270 L289 I293V129-I252 HydrophobicContact CG1-CD1 3.72Å; V129-I252 HydrophobicContact CG1-CG2 4.01Å; V129-I252 HydrophobicContact CG2-CG2 3.81Å; V133-I252 HydrophobicContact CG1-CD1 4.13Å; V133-I252 HydrophobicContact CG2-CD1 4.18Å; L227-I252 PolarHBondContact O-N 2.87Å; M228-I252 CarbonylContact C-O 3.2Å; M228-I252 VanDerWaalsContact CA-O 3.3Å; M228-I252 WeakPolarHBondContact CA-O 3.27Å; M228-I252 HydrophobicContact CG-CB 4.48Å; M228-I252 HydrophobicContact CG-CG2 4.45Å; G229-I252 PolarHBondContact N-O 3.41Å; I252-T254 HydrophobicContact CG2-CG2 4.5Å; I252-I269 HydrophobicContact CG2-CG2 4.01Å; I252-F270 WeakPolarHBondContact CA-O 3.28Å; I252-F270 WeakPolarHBondContact CG2-O 3.49Å; I252-L289 HydrophobicContact CD1-CD1 4.45Å; I252-L289 HydrophobicContact CD1-CD2 3.86Å; I252-L289 HydrophobicContact CG1-CD1 3.84Å; I252-L289 HydrophobicContact CG1-CD2 4.18Å; I252-I293 HydrophobicContact CD1-CD1 4.22Å; I252-I293 HydrophobicContact CG1-CD1 4.3Å; I252-I293 HydrophobicContact CG2-CD1 4.36Å
253V99Very high98.8Very high0 Ų019.4 Ų19.40%010%0.103CC..EExtended strand (participates in β ladder)trans-128.6121.7172.7-1790000109W113 G229 M231 P246 F247 C250 F270W113-V253 HydrophobicContact CH2-CG2 4.12Å; W113-V253 HydrophobicContact CZ3-CG2 4.46Å; G229-V253 CarbonylContact O-C 3.58Å; G229-V253 VanDerWaalsContact O-CA 3.23Å; G229-V253 WeakPolarHBondContact O-CA 3.38Å; G229-V253 WeakPolarHBondContact O-CG1 3.44Å; M231-V253 HydrophobicContact CB-CG1 4.42Å; M231-V253 HydrophobicContact CE-CG1 3.85Å; M231-V253 HydrophobicContact CG-CG1 3.73Å; M231-V253 HydrophobicContact SD-CG1 3.71Å; P246-V253 HydrophobicContact CB-CG2 4.26Å; P246-V253 HydrophobicContact CG-CG1 4.08Å; P246-V253 HydrophobicContact CG-CG2 4.36Å; F247-V253 HydrophobicContact CD1-CB 4.21Å; F247-V253 HydrophobicContact CD1-CG2 3.76Å; F247-V253 HydrophobicContact CE1-CB 3.68Å; F247-V253 HydrophobicContact CE1-CG1 4.04Å; F247-V253 HydrophobicContact CE1-CG2 3.77Å; F247-V253 HydrophobicContact CE2-CG1 4.25Å; F247-V253 HydrophobicContact CG-CG2 4.28Å; F247-V253 HydrophobicContact CZ-CB 3.98Å; F247-V253 HydrophobicContact CZ-CG1 3.8Å; F247-V253 HydrophobicContact CZ-CG2 4.31Å; C250-V253 HydrophobicContact CB-CG2 3.83Å; V253-F270 HydrophobicContact CB-CB 4.24Å; V253-F270 PolarHBondContact N-O 2.92Å; V253-F270 PolarHBondContact O-N 3.39Å
254T99Very high98.8Very high0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-104.5154.6171.466.50000110.3N126 V129 M228 G229 M231 I252 L268 I269N126-T254 VanDerWaalsContact OD1-CB 3.27Å; N126-T254 WeakPolarHBondContact OD1-CB 3.39Å; N126-T254 PolarHBondContact OD1-OG1 3.1Å; V129-T254 HydrophobicContact CG2-CG2 3.69Å; M228-T254 HydrophobicContact CE-CG2 3.45Å; M228-T254 VanDerWaalsContact CE-CG2 3.45Å; M228-T254 WeakPolarHBondContact CE-OG1 3.5Å; M228-T254 HydrophobicContact SD-CG2 4.35Å; G229-T254 PolarHBondContact O-N 3.2Å; M231-T254 PolarHBondContact N-O 3.29Å; I252-T254 HydrophobicContact CG2-CG2 4.5Å; T254-L268 WeakPolarHBondContact CA-O 3.23Å; T254-I269 HydrophobicContact CG2-CG1 4.18Å; T254-I269 HydrophobicContact CG2-CG2 4.31Å
255T98.9Very high98.8Very high1 Ų125 Ų251%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-155156.5172.9-174.20000111.1M231 S235 G267 L268 F270M231-T255 HydrophobicContact CE-CG2 3.76Å; S235-T255 WeakPolarHBondContact CB-OG1 3.41Å; S235-T255 PolarHBondContact OG-OG1 3.47Å; T255-G267 CarbonylContact O-C 3.41Å; T255-G267 VanDerWaalsContact O-CA 3.26Å; T255-G267 WeakPolarHBondContact O-CA 3.4Å; T255-L268 HydrophobicContact CG2-CB 3.89Å; T255-L268 HydrophobicContact CG2-CD1 4.32Å; T255-L268 HydrophobicContact CG2-CG 4.41Å; T255-L268 PolarHBondContact N-O 3.22Å; T255-L268 VanDerWaalsContact N-O 3.08Å; T255-L268 PolarHBondContact O-N 3.33Å; T255-F270 HydrophobicContact CG2-CE2 4.12Å
256T98.9Very high98.8Very high4 Ų423.9 Ų23.93%0.02511%0.108CC..EExtended strand (participates in β ladder)trans-80152.4155.152.70000111.1A232 H258 K259 A266A232-T256 HydrophobicContact CB-CG2 4.11Å; A232-T256 WeakPolarHBondContact CB-OG1 3.5Å; A232-T256 PolarHBondContact O-OG1 2.97Å; T256-H258 WeakPolarHBondContact CB-CE1 3.18Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.34Å; T256-H258 PolarHBondContact OG1-O 2.92Å; T256-K259 VanDerWaalsContact CG2-NZ 3.3Å; T256-K259 PolarHBondContact OG1-NZ 3.48Å; T256-A266 WeakPolarHBondContact CA-O 3.04Å
257T98.9Very high98.8Very high0 Ų023.9 Ų23.90%011%0.108CC..SBendtrans-92.3-13.8173.955.90000113.2G263 C264 A266 L268 V313T257-G263 WeakPolarHBondContact O-CA 3.4Å; T257-G263 PolarHBondContact O-N 2.93Å; T257-C264 CarbonylContact C-O 3.59Å; T257-C264 PolarHBondContact OG1-O 3.41Å; T257-A266 HydrophobicContact CG2-CB 4.29Å; T257-A266 PolarHBondContact N-O 3.1Å; T257-A266 WeakPolarHBondContact OG1-CA 3.26Å; T257-A266 WeakPolarHBondContact OG1-CB 3.46Å; T257-A266 PolarHBondContact OG1-N 3.05Å; T257-A266 PolarHBondContact OG1-O 2.83Å; T257-L268 HydrophobicContact CG2-CD1 3.98Å; T257-L268 HydrophobicContact CG2-CD2 4.3Å; T257-L268 HydrophobicContact CG2-CG 3.68Å; T257-V313 HydrophobicContact CG2-CB 4.46Å; T257-V313 HydrophobicContact CG2-CG1 3.8Å; T257-V313 HydrophobicContact CG2-CG2 3.73Å
258H98.2Very high98.8Very high26 Ų2623.6 Ų23.612%0.1211%0.107CC..SBendtrans-86.9-177.1165.957.3-84.3000110.2T256 C264T256-H258 WeakPolarHBondContact CB-CE1 3.18Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.34Å; T256-H258 PolarHBondContact OG1-O 2.92Å; H258-C264 PolarHBondContact N-O 3.1Å
259K98.8Very high98.8Very high26 Ų2618.3 Ų18.311%0.1138%0.079CC..G310 helixtrans77.4-130.1-171.4-41.5-167.8178.261.90112.4S55 N57 A232 T256 L261 R262S55-K259 WeakPolarHBondContact O-CG 3.5Å; N57-K259 VanDerWaalsContact CB-O 3.31Å; N57-K259 WeakPolarHBondContact CB-O 3.3Å; N57-K259 PolarHBondContact ND2-O 3.45Å; A232-K259 WeakPolarHBondContact O-CD 3.43Å; T256-K259 VanDerWaalsContact CG2-NZ 3.3Å; T256-K259 PolarHBondContact OG1-NZ 3.48Å; K259-L261 VanDerWaalsContact C-N 3.26Å; K259-L261 PolarHBondContact O-N 3.04Å; K259-R262 PolarHBondContact O-N 2.95Å
260T98.9Very high98.9Very high0 Ų015.1 Ų15.10%06%0.064CC..G310 helixtrans-65.7-26-176.549.80000112.9H233 S235 G236 R262 Q329 H358 P407H233-T260 WeakPolarHBondContact O-CG2 3.38Å; H233-T260 PolarHBondContact O-OG1 3.45Å; S235-T260 PolarHBondContact N-OG1 3.47Å; G236-T260 PolarHBondContact N-OG1 3.36Å; G236-T260 VanDerWaalsContact N-OG1 3.15Å; T260-R262 PolarHBondContact O-N 3.15Å; T260-Q329 PolarHBondContact O-NE2 3.47Å; T260-H358 HydrophobicContact CG2-CB 4.43Å; T260-P407 HydrophobicContact CG2-CB 4.47Å; T260-P407 HydrophobicContact CG2-CG 3.83Å
261L98.9Very high98.9Very high2 Ų215.4 Ų15.41%0.017%0.065CC..G310 helixtrans-72.5-14.2173.7-164.365.6000113.7A239 K259 G263 L317 A320 F325A239-L261 HydrophobicContact CB-CD1 4.29Å; K259-L261 VanDerWaalsContact C-N 3.26Å; K259-L261 PolarHBondContact O-N 3.04Å; L261-G263 PolarHBondContact O-N 2.92Å; L261-G263 VanDerWaalsContact O-N 3.13Å; L261-L317 HydrophobicContact CD2-CD2 4.2Å; L261-A320 HydrophobicContact CD1-CB 3.83Å; L261-F325 HydrophobicContact CD1-CZ 4.37Å
262R98.8Very high98.9Very high48 Ų4817.4 Ų17.418%0.1817%0.073CC..  trans59.123.4171.8-156.8169.666-173.5-0.2115.5N57 F58 K259 T260 S411N57-R262 HydrophobicContact CB-CG 4.45Å; F58-R262 VanDerWaalsContact O-CD 3.3Å; F58-R262 WeakPolarHBondContact O-CD 3.49Å; F58-R262 WeakPolarHBondContact O-CG 3.1Å; K259-R262 PolarHBondContact O-N 2.95Å; T260-R262 PolarHBondContact O-N 3.15Å; R262-S411 VanDerWaalsContact CD-OG 3.23Å; R262-S411 WeakPolarHBondContact CD-OG 3.4Å; R262-S411 PolarHBondContact NH1-OG 3.18Å
263G98.8Very high98.8Very high7 Ų720.2 Ų20.27%0.0729%0.085CC..  trans-89.2-170.3171.400000113.6T257 L261 A316T257-G263 WeakPolarHBondContact O-CA 3.4Å; T257-G263 PolarHBondContact O-N 2.93Å; L261-G263 PolarHBondContact O-N 2.92Å; L261-G263 VanDerWaalsContact O-N 3.13Å; G263-A316 VanDerWaalsContact CA-CB 3.47Å
264C98.8Very high98.7Very high7 Ų722.1 Ų22.15%0.04710%0.104CC..  trans-74.5173.1172.761.10000111.7V63 L67 T257 H258 A266 A309V63-C264 HydrophobicContact CG1-CB 3.73Å; L67-C264 HydrophobicContact CD1-CB 3.76Å; L67-C264 HydrophobicContact CD2-CB 3.86Å; L67-C264 HydrophobicContact CG-CB 4.09Å; T257-C264 CarbonylContact C-O 3.59Å; T257-C264 PolarHBondContact OG1-O 3.41Å; H258-C264 PolarHBondContact N-O 3.1Å; C264-A266 PolarHBondContact O-N 2.82Å; C264-A266 VanDerWaalsContact O-N 3.16Å; C264-A309 PolarHBondContact SG-O 2.94Å; C264-A309 VanDerWaalsContact SG-O 3.35Å
265R98.9Very high98.4Very high190 Ų19025 Ų2572%0.71712%0.122SC*.SBendtrans-74.3104177.7-66-179.7-177.3-89.91.8110.8
266A98.9Very high98Very high5 Ų529 Ų294%0.04114%0.137CC..  trans-153.8179.8167.900000110.1Y120 T256 T257 C264 V313Y120-A266 WeakPolarHBondContact O-CA 3.33Å; T256-A266 WeakPolarHBondContact CA-O 3.04Å; T257-A266 HydrophobicContact CG2-CB 4.29Å; T257-A266 PolarHBondContact N-O 3.1Å; T257-A266 WeakPolarHBondContact OG1-CA 3.26Å; T257-A266 WeakPolarHBondContact OG1-CB 3.46Å; T257-A266 PolarHBondContact OG1-N 3.05Å; T257-A266 PolarHBondContact OG1-O 2.83Å; C264-A266 PolarHBondContact O-N 2.82Å; C264-A266 VanDerWaalsContact O-N 3.16Å; A266-V313 HydrophobicContact CB-CG2 3.78Å
267G98.9Very high97.5Very high0 Ų031.6 Ų31.60%016%0.155CC..EExtended strand (participates in β ladder)trans-125.1156170.100000112.2P119 T255P119-G267 WeakPolarHBondContact CD-O 3.08Å; P119-G267 PolarHBondContact O-N 3.33Å; T255-G267 CarbonylContact O-C 3.41Å; T255-G267 VanDerWaalsContact O-CA 3.26Å; T255-G267 WeakPolarHBondContact O-CA 3.4Å
268L98.9Very high97Very high0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-125.4146.5170.2-60175.8000109.1A102 V115 A117 T254 T255 T257 F270 V313A102-L268 HydrophobicContact CB-CD1 4.3Å; V115-L268 HydrophobicContact CG2-CB 4.38Å; A117-L268 HydrophobicContact CB-CD2 3.79Å; T254-L268 WeakPolarHBondContact CA-O 3.23Å; T255-L268 HydrophobicContact CG2-CB 3.89Å; T255-L268 HydrophobicContact CG2-CD1 4.32Å; T255-L268 HydrophobicContact CG2-CG 4.41Å; T255-L268 PolarHBondContact N-O 3.22Å; T255-L268 VanDerWaalsContact N-O 3.08Å; T255-L268 PolarHBondContact O-N 3.33Å; T257-L268 HydrophobicContact CG2-CD1 3.98Å; T257-L268 HydrophobicContact CG2-CD2 4.3Å; T257-L268 HydrophobicContact CG2-CG 3.68Å; L268-F270 HydrophobicContact CB-CD2 4.37Å; L268-F270 HydrophobicContact CB-CE2 3.81Å; L268-F270 HydrophobicContact CB-CZ 4.42Å; L268-F270 HydrophobicContact CD1-CE2 3.96Å; L268-F270 HydrophobicContact CD1-CZ 3.9Å; L268-V313 HydrophobicContact CD2-CG1 4.29Å
269I99Very high96.6Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-123.4112.4170.2-55.4160.6000108.2V115 N116 P119 A125 A128 V129 I252 T254 Y271 I293 V297V115-I269 CarbonylContact C-O 3.54Å; V115-I269 VanDerWaalsContact CA-O 3.31Å; V115-I269 WeakPolarHBondContact CA-O 3.37Å; N116-I269 HydrophobicContact CB-CB 4.43Å; N116-I269 PolarHBondContact N-O 2.81Å; N116-I269 PolarHBondContact O-N 3.19Å; P119-I269 HydrophobicContact CG-CD1 3.61Å; P119-I269 HydrophobicContact CG-CG1 3.84Å; A125-I269 HydrophobicContact CB-CD1 4.26Å; A125-I269 HydrophobicContact CB-CG1 3.85Å; A125-I269 WeakPolarHBondContact O-CD1 3.34Å; A128-I269 HydrophobicContact CB-CD1 4.1Å; V129-I269 HydrophobicContact CG2-CD1 4.15Å; V129-I269 HydrophobicContact CG2-CG1 4.17Å; V129-I269 HydrophobicContact CG2-CG2 3.55Å; I252-I269 HydrophobicContact CG2-CG2 4.01Å; T254-I269 HydrophobicContact CG2-CG1 4.18Å; T254-I269 HydrophobicContact CG2-CG2 4.31Å; I269-Y271 HydrophobicContact CG2-CD1 4.49Å; I269-I293 HydrophobicContact CB-CG2 4.18Å; I269-I293 HydrophobicContact CD1-CG2 3.99Å; I269-I293 HydrophobicContact CG2-CD1 4.08Å; I269-I293 HydrophobicContact CG2-CG2 3.7Å; I269-V297 HydrophobicContact CD1-CG2 3.82Å
270F99Very high96.1Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-93.9144.5170.2-59.5-96.4000109.9A102 L103 F106 L108 W113 G114 V115 M231 F247 I252 V253 T255 L268A102-F270 HydrophobicContact CB-CE1 3.9Å; A102-F270 HydrophobicContact CB-CZ 3.92Å; L103-F270 HydrophobicContact CD2-CD1 4.13Å; L103-F270 HydrophobicContact CD2-CE1 4.3Å; F106-F270 HydrophobicContact CD2-CE1 4.01Å; F106-F270 HydrophobicContact CD2-CE2 4.19Å; F106-F270 AromaticContact CD2-CZ 3.52Å; F106-F270 HydrophobicContact CD2-CZ 3.52Å; F106-F270 HydrophobicContact CE2-CE2 4.05Å; F106-F270 AromaticContact CE2-CZ 3.63Å; F106-F270 HydrophobicContact CE2-CZ 3.63Å; L108-F270 HydrophobicContact CD1-CD1 3.71Å; L108-F270 HydrophobicContact CD1-CE1 4.04Å; W113-F270 HydrophobicContact CE3-CB 4.04Å; W113-F270 HydrophobicContact CZ3-CB 4.09Å; G114-F270 WeakPolarHBondContact O-CA 3.48Å; V115-F270 HydrophobicContact CB-CD1 3.7Å; V115-F270 HydrophobicContact CB-CE1 3.89Å; V115-F270 HydrophobicContact CB-CG 4.36Å; V115-F270 HydrophobicContact CG2-CD1 3.67Å; V115-F270 HydrophobicContact CG2-CD2 4.36Å; V115-F270 HydrophobicContact CG2-CE1 3.6Å; V115-F270 HydrophobicContact CG2-CE2 4.29Å; V115-F270 HydrophobicContact CG2-CG 4.06Å; V115-F270 HydrophobicContact CG2-CZ 3.93Å; M231-F270 HydrophobicContact CE-CD2 4.46Å; M231-F270 HydrophobicContact CE-CE2 4.1Å; F247-F270 HydrophobicContact CE1-CB 3.64Å; F247-F270 HydrophobicContact CE1-CD1 4.01Å; F247-F270 HydrophobicContact CE1-CD2 4.06Å; F247-F270 AromaticContact CE1-CG 3.65Å; F247-F270 HydrophobicContact CE1-CG 3.65Å; F247-F270 HydrophobicContact CZ-CB 4.32Å; F247-F270 HydrophobicContact CZ-CD1 4.21Å; F247-F270 AromaticContact CZ-CD2 3.85Å; F247-F270 HydrophobicContact CZ-CD2 3.85Å; F247-F270 HydrophobicContact CZ-CE2 4.18Å; F247-F270 AromaticContact CZ-CG 3.88Å; F247-F270 HydrophobicContact CZ-CG 3.88Å; F247-F270 HydrophobicContact CZ-CZ 4.49Å; I252-F270 WeakPolarHBondContact CA-O 3.28Å; I252-F270 WeakPolarHBondContact CG2-O 3.49Å; V253-F270 HydrophobicContact CB-CB 4.24Å; V253-F270 PolarHBondContact N-O 2.92Å; V253-F270 PolarHBondContact O-N 3.39Å; T255-F270 HydrophobicContact CG2-CE2 4.12Å; L268-F270 HydrophobicContact CB-CD2 4.37Å; L268-F270 HydrophobicContact CB-CE2 3.81Å; L268-F270 HydrophobicContact CB-CZ 4.42Å; L268-F270 HydrophobicContact CD1-CE2 3.96Å; L268-F270 HydrophobicContact CD1-CZ 3.9Å
271Y98.9Very high95.7Very high6 Ų651.3 Ų51.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-145.5146.1-17946.7-98.8000112W113 G114 N116 I269 K273 L289 E290 I293 N294W113-Y271 WeakPolarHBondContact CA-O 3.38Å; W113-Y271 VanDerWaalsContact CE3-O 3.27Å; G114-Y271 VanDerWaalsContact CA-CE2 3.49Å; G114-Y271 PolarHBondContact N-O 3.36Å; G114-Y271 PolarHBondContact O-N 2.91Å; N116-Y271 HydrophobicContact CB-CE1 4.28Å; I269-Y271 HydrophobicContact CG2-CD1 4.49Å; Y271-K273 HydrophobicContact CD2-CG 4.34Å; Y271-K273 HydrophobicContact CE2-CD 4.5Å; Y271-K273 HydrophobicContact CE2-CG 4.43Å; Y271-L289 HydrophobicContact CG-CB 4.4Å; Y271-E290 HydrophobicContact CD2-CB 3.92Å; Y271-E290 VanDerWaalsContact CE2-CA 3.47Å; Y271-E290 HydrophobicContact CE2-CB 3.39Å; Y271-E290 HydrophobicContact CE2-CG 3.6Å; Y271-I293 HydrophobicContact CD1-CB 4.31Å; Y271-I293 HydrophobicContact CD1-CD1 3.83Å; Y271-I293 HydrophobicContact CD1-CG2 4.11Å; Y271-I293 HydrophobicContact CE1-CG2 4.31Å; Y271-I293 HydrophobicContact CG-CD1 3.98Å; Y271-N294 PolarHBondContact OH-ND2 2.76Å
272R98.6Very high95.4Very high44 Ų4453.7 Ų53.717%0.16630%0.297CS..EExtended strand (participates in β ladder)trans-69.7150.6175.2-69.8-121.4-161.3-114.6-0112.6K112 W113 F247 D248 C250 D251 Y287 L289K112-R272 CarbonylContact O-C 3.55Å; K112-R272 WeakPolarHBondContact O-CA 3.1Å; W113-R272 HydrophobicContact CD2-CG 4.31Å; W113-R272 HydrophobicContact CE3-CG 4.25Å; W113-R272 HydrophobicContact CH2-CG 3.66Å; W113-R272 HydrophobicContact CZ2-CG 3.76Å; W113-R272 HydrophobicContact CZ3-CG 3.93Å; F247-R272 VanDerWaalsContact O-CZ 3.3Å; F247-R272 PolarHBondContact O-NH1 2.88Å; F247-R272 PolarHBondContact O-NH2 2.76Å; D248-R272 PolarHBondContact O-NH2 2.62Å; C250-R272 PolarHBondContact O-NE 3.19Å; C250-R272 VanDerWaalsContact O-NE 3.16Å; C250-R272 PolarHBondContact O-NH2 2.89Å; D251-R272 WeakPolarHBondContact O-CG 3.46Å; D251-R272 PolarHBondContact O-N 3.21Å; R272-Y287 HydrophobicContact CB-CD1 4.2Å; R272-Y287 HydrophobicContact CB-CD2 3.7Å; R272-Y287 HydrophobicContact CB-CE1 4.01Å; R272-Y287 HydrophobicContact CB-CE2 3.5Å; R272-Y287 VanDerWaalsContact CB-CE2 3.5Å; R272-Y287 HydrophobicContact CB-CG 4.04Å; R272-Y287 HydrophobicContact CG-CE2 4.25Å; R272-L289 HydrophobicContact CB-CD1 4.41Å
273K98.3Very high95.1Very high59 Ų5958.4 Ų58.426%0.25732%0.319SS..  trans-127.6163172-59.1-170-58.8-1760109.6S110 K112 W113 Y271 E290S110-K273 WeakPolarHBondContact O-CE 3.45Å; S110-K273 PolarHBondContact O-NZ 3.34Å; K112-K273 PolarHBondContact O-N 3.37Å; W113-K273 WeakPolarHBondContact O-CE 3.37Å; Y271-K273 HydrophobicContact CD2-CG 4.34Å; Y271-K273 HydrophobicContact CE2-CD 4.5Å; Y271-K273 HydrophobicContact CE2-CG 4.43Å; K273-E290 WeakPolarHBondContact CD-OE2 3.39Å
274G95.6Very high94.9Very high39 Ų3963.6 Ų63.640%0.40234%0.341SS..SBendtrans86.4-148-179.200000112.9L286 Y287G274-L286 CarbonylContact O-C 3.5Å; G274-L286 WeakPolarHBondContact O-CA 3.23Å; G274-Y287 PolarHBondContact O-N 2.93Å
275V93.4Very high94.6Very high62 Ų6266.4 Ų66.438%0.37636%0.358SS..EExtended strand (participates in β ladder)trans-78.3125.9-174.2-176.70000111V278 E284 L286V275-V278 HydrophobicContact CG1-CG2 3.94Å; V275-E284 HydrophobicContact CG1-CB 4.06Å; V275-E284 HydrophobicContact CG1-CG 4.25Å; V275-E284 HydrophobicContact CG2-CB 4.32Å; V275-E284 HydrophobicContact CG2-CG 4.36Å; V275-E284 WeakPolarHBondContact CG2-OE2 3.43Å; V275-L286 HydrophobicContact CB-CD2 4.47Å; V275-L286 HydrophobicContact CG2-CD2 3.82Å
276R91.4Very high94.4Very high84 Ų8462.7 Ų62.732%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-87.3-45.9174.4177.6178.4178.7-164.8-3.1112Y226 T285 Y287Y226-R276 VanDerWaalsContact CZ-NH1 3.29Å; Y226-R276 PolarHBondContact OH-NH1 3.44Å; Y226-R276 VanDerWaalsContact OH-NH1 3.09Å; R276-T285 WeakPolarHBondContact CA-O 3.04Å; R276-T285 WeakPolarHBondContact CB-O 3.21Å; R276-T285 PolarHBondContact N-O 3.08Å; R276-Y287 VanDerWaalsContact CA-CE2 3.47Å; R276-Y287 HydrophobicContact CB-CD1 3.87Å; R276-Y287 HydrophobicContact CB-CD2 3.86Å; R276-Y287 HydrophobicContact CB-CE1 3.81Å; R276-Y287 HydrophobicContact CB-CE2 3.78Å; R276-Y287 HydrophobicContact CB-CG 3.91Å; R276-Y287 HydrophobicContact CG-CD1 4.04Å; R276-Y287 HydrophobicContact CG-CE1 3.6Å; R276-Y287 HydrophobicContact CG-CE2 4.28Å
277S87.8Confident94.3Very high58 Ų5864 Ų6441%0.40636%0.356SS..EExtended strand (participates in β ladder)trans-153.3157.9-178.458.50000110.8E284 T285S277-E284 WeakPolarHBondContact O-CA 3.37Å; S277-T285 PolarHBondContact N-O 2.86Å; S277-T285 PolarHBondContact O-N 3.27Å
278V89.1Confident94.2Very high83 Ų8368 Ų6850%0.50338%0.377SS..EExtended strand (participates in β ladder)trans-123.3125.1171.7-172.60000106.5V275 K283 E284V275-V278 HydrophobicContact CG1-CG2 3.94Å; V278-K283 WeakPolarHBondContact CA-O 3.45Å; V278-E284 HydrophobicContact CG2-CG 4.15Å
279D87.8Confident94.2Very high72 Ų7268 Ų6839%0.38538%0.378SS..  trans-75.5172.9178.375.212.8000112K281 G282 K283D279-K281 PolarHBondContact O-N 3.34Å; D279-K281 VanDerWaalsContact OD1-CA 3.31Å; D279-K281 WeakPolarHBondContact OD1-CA 3.38Å; D279-K281 WeakPolarHBondContact OD1-CB 3.21Å; D279-K281 PolarHBondContact OD1-N 3.15Å; D279-G282 PolarHBondContact O-N 2.95Å; D279-G282 PolarHBondContact OD1-N 3.02Å; D279-G282 VanDerWaalsContact OD1-N 3.13Å; D279-K283 PolarHBondContact N-O 2.8Å; D279-K283 WeakPolarHBondContact OD1-CB 3.32Å; D279-K283 PolarHBondContact OD1-N 2.92Å; D279-K283 WeakPolarHBondContact OD2-CB 3.26Å
280A90.3Very high94.2Very high116 Ų11672.1 Ų72.196%0.95940%0.397SS*.THydrogen-bonded Turntrans-60.5-1418000000114.1
281K90.4Very high94.2Very high196 Ų19675.2 Ų75.285%0.85242%0.418SS*.THydrogen-bonded Turntrans-99.35178-60.1-179.2180179.30112.3D279 K283D279-K281 PolarHBondContact O-N 3.34Å; D279-K281 VanDerWaalsContact OD1-CA 3.31Å; D279-K281 WeakPolarHBondContact OD1-CA 3.38Å; D279-K281 WeakPolarHBondContact OD1-CB 3.21Å; D279-K281 PolarHBondContact OD1-N 3.15Å; K281-K283 VanDerWaalsContact C-N 3.34Å
282G91.3Very high94.2Very high52 Ų5277.6 Ų77.654%0.53643%0.431SS..SBendtrans80.99.3-178.800000114.2D279 E284D279-G282 PolarHBondContact O-N 2.95Å; D279-G282 PolarHBondContact OD1-N 3.02Å; D279-G282 VanDerWaalsContact OD1-N 3.13Å; G282-E284 PolarHBondContact O-N 3.26Å
283K93.6Very high94.2Very high147 Ų14775.5 Ų75.564%0.63942%0.423SS*.  trans-78.6120.7177.7-175.5-175.3174.7-176.70109.9V278 D279 K281V278-K283 WeakPolarHBondContact CA-O 3.45Å; D279-K283 PolarHBondContact N-O 2.8Å; D279-K283 WeakPolarHBondContact OD1-CB 3.32Å; D279-K283 PolarHBondContact OD1-N 2.92Å; D279-K283 WeakPolarHBondContact OD2-CB 3.26Å; K281-K283 VanDerWaalsContact C-N 3.34Å
284E94.6Very high94.2Very high116 Ų11674 Ų7454%0.54242%0.418SS..EExtended strand (participates in β ladder)trans-76.5136.2175.1-57-169.7152.100111.4V275 S277 V278 G282V275-E284 HydrophobicContact CG1-CB 4.06Å; V275-E284 HydrophobicContact CG1-CG 4.25Å; V275-E284 HydrophobicContact CG2-CB 4.32Å; V275-E284 HydrophobicContact CG2-CG 4.36Å; V275-E284 WeakPolarHBondContact CG2-OE2 3.43Å; S277-E284 WeakPolarHBondContact O-CA 3.37Å; V278-E284 HydrophobicContact CG2-CG 4.15Å; G282-E284 PolarHBondContact O-N 3.26Å
285T92Very high94.3Very high66 Ų6677.6 Ų77.641%0.40543%0.425SS..EExtended strand (participates in β ladder)trans-107.3121165.9-59.70000107.9R276 S277R276-T285 WeakPolarHBondContact CA-O 3.04Å; R276-T285 WeakPolarHBondContact CB-O 3.21Å; R276-T285 PolarHBondContact N-O 3.08Å; S277-T285 PolarHBondContact N-O 2.86Å; S277-T285 PolarHBondContact O-N 3.27Å
286L95.3Very high94.6Very high111 Ų11175 Ų7558%0.58141%0.41SS*.EExtended strand (participates in β ladder)trans-84.4150.3179.6-56.7-178.5000111.4G274 V275G274-L286 CarbonylContact O-C 3.5Å; G274-L286 WeakPolarHBondContact O-CA 3.23Å; V275-L286 HydrophobicContact CB-CD2 4.47Å; V275-L286 HydrophobicContact CG2-CD2 3.82Å
287Y96.8Very high95Very high33 Ų3371.1 Ų71.113%0.12940%0.395CS..  trans-64.5136.1164.5-76.3-72.2000110.2Y226 D251 R272 G274 R276 L289Y226-Y287 HydrophobicContact CE1-CE1 4.43Å; D251-Y287 HydrophobicContact CB-CE1 4.22Å; D251-Y287 PolarHBondContact OD1-OH 3.09Å; R272-Y287 HydrophobicContact CB-CD1 4.2Å; R272-Y287 HydrophobicContact CB-CD2 3.7Å; R272-Y287 HydrophobicContact CB-CE1 4.01Å; R272-Y287 HydrophobicContact CB-CE2 3.5Å; R272-Y287 VanDerWaalsContact CB-CE2 3.5Å; R272-Y287 HydrophobicContact CB-CG 4.04Å; R272-Y287 HydrophobicContact CG-CE2 4.25Å; G274-Y287 PolarHBondContact O-N 2.93Å; R276-Y287 VanDerWaalsContact CA-CE2 3.47Å; R276-Y287 HydrophobicContact CB-CD1 3.87Å; R276-Y287 HydrophobicContact CB-CD2 3.86Å; R276-Y287 HydrophobicContact CB-CE1 3.81Å; R276-Y287 HydrophobicContact CB-CE2 3.78Å; R276-Y287 HydrophobicContact CB-CG 3.91Å; R276-Y287 HydrophobicContact CG-CD1 4.04Å; R276-Y287 HydrophobicContact CG-CE1 3.6Å; R276-Y287 HydrophobicContact CG-CE2 4.28Å; Y287-L289 HydrophobicContact CD1-CD1 3.51Å; Y287-L289 HydrophobicContact CD1-CG 3.89Å; Y287-L289 HydrophobicContact CE1-CD1 3.89Å; Y287-L289 HydrophobicContact CG-CD1 4.33Å
288N96.9Very high95.5Very high84 Ų8469 Ų6945%0.44938%0.379SS..  trans-114.415.317164.2-13.9000112.3E290 S291 L292N288-E290 PolarHBondContact O-N 2.66Å; N288-S291 PolarHBondContact O-N 2.9Å; N288-L292 WeakPolarHBondContact O-CG 3.49Å; N288-L292 PolarHBondContact O-N 3.34Å
289L98.6Very high95.9Very high1 Ų169.2 Ų69.21%0.00538%0.382CS..Hα-helixtrans-61.9-38.9-172-66.1175.4000113.2V133 Y226 D251 I252 Y271 R272 Y287 S291 L292 I293V133-L289 HydrophobicContact CG1-CD2 3.73Å; Y226-L289 HydrophobicContact CD1-CD2 4.49Å; Y226-L289 HydrophobicContact CE1-CD2 3.88Å; Y226-L289 HydrophobicContact CE1-CG 4.5Å; D251-L289 HydrophobicContact CB-CD1 4.48Å; D251-L289 WeakPolarHBondContact O-CD1 3.29Å; I252-L289 HydrophobicContact CD1-CD1 4.45Å; I252-L289 HydrophobicContact CD1-CD2 3.86Å; I252-L289 HydrophobicContact CG1-CD1 3.84Å; I252-L289 HydrophobicContact CG1-CD2 4.18Å; Y271-L289 HydrophobicContact CG-CB 4.4Å; R272-L289 HydrophobicContact CB-CD1 4.41Å; Y287-L289 HydrophobicContact CD1-CD1 3.51Å; Y287-L289 HydrophobicContact CD1-CG 3.89Å; Y287-L289 HydrophobicContact CE1-CD1 3.89Å; Y287-L289 HydrophobicContact CG-CD1 4.33Å; L289-S291 PolarHBondContact O-N 2.93Å; L289-L292 PolarHBondContact O-N 3.39Å; L289-I293 HydrophobicContact CB-CD1 4.08Å; L289-I293 VanDerWaalsContact O-CB 3.27Å; L289-I293 WeakPolarHBondContact O-CB 3.4Å; L289-I293 VanDerWaalsContact O-CG1 3.32Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.1Å
290E98.6Very high96.4Very high85 Ų8568.2 Ų68.240%0.39739%0.388SS..Hα-helixtrans-55.4-51.5-179.1179.2162.2-14500112Y271 K273 N288 N294Y271-E290 HydrophobicContact CD2-CB 3.92Å; Y271-E290 VanDerWaalsContact CE2-CA 3.47Å; Y271-E290 HydrophobicContact CE2-CB 3.39Å; Y271-E290 HydrophobicContact CE2-CG 3.6Å; K273-E290 WeakPolarHBondContact CD-OE2 3.39Å; N288-E290 PolarHBondContact O-N 2.66Å; E290-N294 WeakPolarHBondContact O-CB 3.41Å; E290-N294 PolarHBondContact O-N 3.47Å; E290-N294 PolarHBondContact O-ND2 3.22Å; E290-N294 VanDerWaalsContact O-ND2 3.14Å
291S98.2Very high96.8Very high65 Ų6566.4 Ų66.446%0.45536%0.362SS..Hα-helixtrans-64.4-47.1179.7-1710000111.6N288 L289 Q295N288-S291 PolarHBondContact O-N 2.9Å; L289-S291 PolarHBondContact O-N 2.93Å; S291-Q295 VanDerWaalsContact O-CB 3.31Å; S291-Q295 WeakPolarHBondContact O-CB 3.43Å; S291-Q295 WeakPolarHBondContact O-CG 3.42Å; S291-Q295 PolarHBondContact O-N 3.37Å; S291-Q295 PolarHBondContact OG-NE2 3.22Å
292L98.8Very high97.2Very high56 Ų5658.2 Ų58.229%0.29333%0.327SS..Hα-helixtrans-65.2-46.7-176.2-67175.3000111.8A132 N288 L289 A296A132-L292 HydrophobicContact CB-CB 4.11Å; A132-L292 WeakPolarHBondContact CB-O 3.48Å; N288-L292 WeakPolarHBondContact O-CG 3.49Å; N288-L292 PolarHBondContact O-N 3.34Å; L289-L292 PolarHBondContact O-N 3.39Å; L292-A296 VanDerWaalsContact O-CB 3.31Å; L292-A296 WeakPolarHBondContact O-CB 3.45Å; L292-A296 PolarHBondContact O-N 3.14Å
293I98.9Very high97.6Very high0 Ų056.9 Ų56.90%031%0.313CS..Hα-helixtrans-69-45.8-177.8-69.6168.2000110.6A132 I252 I269 Y271 L289 Q295 A296 V297A132-I293 HydrophobicContact CB-CG1 3.96Å; I252-I293 HydrophobicContact CD1-CD1 4.22Å; I252-I293 HydrophobicContact CG1-CD1 4.3Å; I252-I293 HydrophobicContact CG2-CD1 4.36Å; I269-I293 HydrophobicContact CB-CG2 4.18Å; I269-I293 HydrophobicContact CD1-CG2 3.99Å; I269-I293 HydrophobicContact CG2-CD1 4.08Å; I269-I293 HydrophobicContact CG2-CG2 3.7Å; Y271-I293 HydrophobicContact CD1-CB 4.31Å; Y271-I293 HydrophobicContact CD1-CD1 3.83Å; Y271-I293 HydrophobicContact CD1-CG2 4.11Å; Y271-I293 HydrophobicContact CE1-CG2 4.31Å; Y271-I293 HydrophobicContact CG-CD1 3.98Å; L289-I293 HydrophobicContact CB-CD1 4.08Å; L289-I293 VanDerWaalsContact O-CB 3.27Å; L289-I293 WeakPolarHBondContact O-CB 3.4Å; L289-I293 VanDerWaalsContact O-CG1 3.32Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.1Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 2.85Å; I293-A296 PolarHBondContact O-N 2.99Å; I293-V297 WeakPolarHBondContact O-CG2 3.31Å; I293-V297 PolarHBondContact O-N 3.39Å
294N98.9Very high97.8Very high28 Ų2850.2 Ų50.215%0.1529%0.286CS..Hα-helixtrans-61.3-45.2178.7-69.5-21.2000110.6Y79 N116 Y271 E290 A296 V297 F298Y79-N294 HydrophobicContact CE2-CB 3.82Å; Y79-N294 PolarHBondContact OH-O 3.17Å; N116-N294 PolarHBondContact ND2-OD1 2.88Å; Y271-N294 PolarHBondContact OH-ND2 2.76Å; E290-N294 WeakPolarHBondContact O-CB 3.41Å; E290-N294 PolarHBondContact O-N 3.47Å; E290-N294 PolarHBondContact O-ND2 3.22Å; E290-N294 VanDerWaalsContact O-ND2 3.14Å; N294-A296 PolarHBondContact O-N 2.98Å; N294-V297 PolarHBondContact O-N 2.89Å; N294-F298 PolarHBondContact O-N 3.48Å
295Q98.8Very high98Very high115 Ų11545.1 Ų45.154%0.53726%0.263SS..Hα-helixtrans-64.8-36.6177.4-71.2173.521.600113.4S291 I293 F298 G300S291-Q295 VanDerWaalsContact O-CB 3.31Å; S291-Q295 WeakPolarHBondContact O-CB 3.43Å; S291-Q295 WeakPolarHBondContact O-CG 3.42Å; S291-Q295 PolarHBondContact O-N 3.37Å; S291-Q295 PolarHBondContact OG-NE2 3.22Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 2.85Å; Q295-F298 CarbonylContact C-O 3.54Å; Q295-F298 VanDerWaalsContact CA-O 3.31Å; Q295-F298 WeakPolarHBondContact CA-O 3.26Å; Q295-F298 CarbonylContact O-C 3.28Å; Q295-G300 PolarHBondContact O-N 3.18Å
296A98.9Very high98.3Very high8 Ų846 Ų467%0.06626%0.263CS..Iπ-helixtrans-67.3-38.9176.200000112.1A128 T131 A132 L292 I293 N294 G300 L301A128-A296 WeakPolarHBondContact O-CB 3.29Å; T131-A296 HydrophobicContact CG2-CB 4.33Å; A132-A296 HydrophobicContact CB-CB 3.69Å; L292-A296 VanDerWaalsContact O-CB 3.31Å; L292-A296 WeakPolarHBondContact O-CB 3.45Å; L292-A296 PolarHBondContact O-N 3.14Å; I293-A296 PolarHBondContact O-N 2.99Å; N294-A296 PolarHBondContact O-N 2.98Å; A296-G300 CarbonylContact O-C 3.49Å; A296-G300 WeakPolarHBondContact O-CA 3.31Å; A296-L301 WeakPolarHBondContact O-CB 3.21Å; A296-L301 WeakPolarHBondContact O-CD1 3.36Å; A296-L301 VanDerWaalsContact O-CG 3.29Å; A296-L301 WeakPolarHBondContact O-CG 3.48Å; A296-L301 PolarHBondContact O-N 3.31Å
297V98.9Very high98.5Very high1 Ų140.9 Ų40.91%0.00624%0.236CC..Iπ-helixtrans-64.5-55.2173.1171.90000109.8Q118 P119 A128 I269 I293 N294 L301 Q302Q118-V297 HydrophobicContact CB-CG1 4.08Å; P119-V297 HydrophobicContact CG-CG2 4.42Å; A128-V297 HydrophobicContact CB-CG2 3.82Å; I269-V297 HydrophobicContact CD1-CG2 3.82Å; I293-V297 WeakPolarHBondContact O-CG2 3.31Å; I293-V297 PolarHBondContact O-N 3.39Å; N294-V297 PolarHBondContact O-N 2.89Å; V297-L301 PolarHBondContact O-N 3.3Å; V297-Q302 WeakPolarHBondContact O-CB 3.38Å; V297-Q302 PolarHBondContact O-N 3.29Å
298F98.8Very high98.6Very high15 Ų1540.9 Ų40.97%0.06624%0.237CC..Iπ-helixtrans-143.3130.4176.2176.1-85.2000110.2E77 Y84 N294 Q295 Q302E77-F298 HydrophobicContact CB-CE1 4.48Å; E77-F298 HydrophobicContact CB-CE2 3.81Å; E77-F298 HydrophobicContact CB-CZ 3.71Å; E77-F298 HydrophobicContact CG-CD2 4.49Å; E77-F298 HydrophobicContact CG-CE2 3.71Å; E77-F298 HydrophobicContact CG-CZ 4.13Å; Y84-F298 AromaticContact CD2-CE1 3.99Å; Y84-F298 HydrophobicContact CD2-CE1 3.99Å; Y84-F298 HydrophobicContact CD2-CZ 4.11Å; Y84-F298 AromaticContact CE2-CE1 3.43Å; Y84-F298 HydrophobicContact CE2-CE1 3.43Å; Y84-F298 VanDerWaalsContact CE2-CE1 3.43Å; Y84-F298 AromaticContact CE2-CZ 3.86Å; Y84-F298 HydrophobicContact CE2-CZ 3.86Å; N294-F298 PolarHBondContact O-N 3.48Å; Q295-F298 CarbonylContact C-O 3.54Å; Q295-F298 VanDerWaalsContact CA-O 3.31Å; Q295-F298 WeakPolarHBondContact CA-O 3.26Å; Q295-F298 CarbonylContact O-C 3.28Å; F298-Q302 VanDerWaalsContact CD2-O 3.25Å; F298-Q302 WeakPolarHBondContact CD2-O 3.38Å
299P98.5Very high98.7Very high87 Ų8737.3 Ų37.357%0.56522%0.219SC*.Iπ-helixcis-88.9107.836-37.3000114.5
300G98.6Very high98.7Very high50 Ų5037.6 Ų37.652%0.51522%0.22SC..Iπ-helixtrans-64.1-47.5-170.200000115.2Q295 A296Q295-G300 PolarHBondContact O-N 3.18Å; A296-G300 CarbonylContact O-C 3.49Å; A296-G300 WeakPolarHBondContact O-CA 3.31Å
301L98.7Very high98.7Very high79 Ų7934 Ų3441%0.41421%0.206SC..Iπ-helixtrans-127.8-28.8-168.7-66.4169.3000114.7F127 A128 T131 A296 V297F127-L301 HydrophobicContact CD1-CD1 4.05Å; F127-L301 HydrophobicContact CD1-CD2 4.22Å; F127-L301 HydrophobicContact CE1-CD2 4.15Å; A128-L301 VanDerWaalsContact CA-CD1 3.47Å; A128-L301 HydrophobicContact CB-CD1 3.79Å; T131-L301 HydrophobicContact CG2-CD1 4.4Å; A296-L301 WeakPolarHBondContact O-CB 3.21Å; A296-L301 WeakPolarHBondContact O-CD1 3.36Å; A296-L301 VanDerWaalsContact O-CG 3.29Å; A296-L301 WeakPolarHBondContact O-CG 3.48Å; A296-L301 PolarHBondContact O-N 3.31Å; V297-L301 PolarHBondContact O-N 3.3Å
302Q98.8Very high98.8Very high23 Ų2331 Ų3111%0.10718%0.184CC..  trans-117.3162.6-179.4-57.2-169.6163.500111Q118 Y120 V297 F298Q118-Q302 PolarHBondContact O-NE2 3.33Å; Y120-Q302 HydrophobicContact CD2-CG 4.01Å; Y120-Q302 VanDerWaalsContact CD2-OE1 3.28Å; Y120-Q302 HydrophobicContact CE2-CB 3.86Å; Y120-Q302 HydrophobicContact CE2-CG 3.62Å; V297-Q302 WeakPolarHBondContact O-CB 3.38Å; V297-Q302 PolarHBondContact O-N 3.29Å; F298-Q302 VanDerWaalsContact CD2-O 3.25Å; F298-Q302 WeakPolarHBondContact CD2-O 3.38Å
303G98.6Very high98.8Very high24 Ų2428.4 Ų28.425%0.24717%0.171CC..  trans-103.9-127.8168.900000110.9E77E77-G303 VanDerWaalsContact OE1-CA 3.31Å; E77-G303 WeakPolarHBondContact OE1-CA 3.24Å
304G98Very high98.8Very high8 Ų828.6 Ų28.68%0.08217%0.172CC..SBendtrans-54.4133.1176.400000114.7Y75 E77 Y120Y75-G304 PolarHBondContact OH-N 3.47Å; E77-G304 PolarHBondContact OE1-N 3.24Å; Y120-G304 PolarHBondContact OH-O 3.03Å
305P98.6Very high98.8Very high8 Ų829.1 Ų29.15%0.05218%0.176CC..  trans-72.8151.4177.130.6-35.6000112.2S76 Q118 N307 I310S76-P305 WeakPolarHBondContact O-CD 3.4Å; S76-P305 VanDerWaalsContact OG-CG 3.3Å; S76-P305 WeakPolarHBondContact OG-CG 3.22Å; Q118-P305 HydrophobicContact CB-CB 4.31Å; Q118-P305 HydrophobicContact CG-CB 3.98Å; P305-N307 PolarHBondContact O-N 3.47Å; P305-N307 VanDerWaalsContact O-N 3.13Å; P305-I310 HydrophobicContact CB-CD1 4.15Å
306H98.9Very high98.8Very high86 Ų8623.7 Ų23.740%0.39815%0.152SC..  trans-84.982.3177.6-68.8-171.2000111Y120 H308 A309 I310Y120-H306 AromaticContact CD1-CD2 3.89Å; Y120-H306 AromaticContact CD1-CE1 3.92Å; Y120-H306 AromaticContact CD1-CG 3.91Å; Y120-H306 AromaticContact CD1-ND1 3.93Å; Y120-H306 AromaticContact CD1-NE2 3.9Å; Y120-H306 AromaticContact CE1-CD2 3.44Å; Y120-H306 VanDerWaalsContact CE1-CD2 3.44Å; Y120-H306 WeakPolarHBondContact CE1-CD2 3.4Å; Y120-H306 AromaticContact CE1-CG 3.9Å; Y120-H306 AromaticContact CE1-NE2 3.56Å; Y120-H306 AromaticContact CZ-NE2 3.96Å; H306-H308 VanDerWaalsContact C-N 3.32Å; H306-H308 PolarHBondContact O-N 3.25Å; H306-A309 HydrophobicContact CB-CB 3.95Å; H306-A309 WeakPolarHBondContact O-CA 3.46Å; H306-A309 WeakPolarHBondContact O-CB 3.5Å; H306-A309 PolarHBondContact O-N 3.25Å; H306-I310 PolarHBondContact O-N 3.18Å
307N98.9Very high98.8Very high2 Ų223.3 Ų23.31%0.01115%0.148CC..Hα-helixtrans-59.1-36.5-172.5-67.1-46.7000114.4M71 K74 S76 V91 P305 A309 I310 A311M71-N307 HydrophobicContact CB-CB 4.26Å; M71-N307 WeakPolarHBondContact O-CB 3.36Å; K74-N307 PolarHBondContact O-ND2 2.94Å; S76-N307 PolarHBondContact OG-ND2 2.98Å; S76-N307 PolarHBondContact OG-OD1 2.95Å; V91-N307 WeakPolarHBondContact CG1-OD1 3.43Å; P305-N307 PolarHBondContact O-N 3.47Å; P305-N307 VanDerWaalsContact O-N 3.13Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.41Å; N307-I310 PolarHBondContact O-N 3.34Å; N307-A311 PolarHBondContact O-N 2.93Å
308H98.9Very high98.8Very high33 Ų3329.2 Ų29.215%0.15317%0.174CC..Hα-helixtrans-63-36173.559.1-76.9000112.6M71 N72 H306 A311 G312M71-H308 HydrophobicContact CB-CB 4.02Å; N72-H308 HydrophobicContact CB-CB 4.25Å; N72-H308 PolarHBondContact OD1-CE1 3.24Å; N72-H308 PolarHBondContact OD1-ND1 3.46Å; H306-H308 VanDerWaalsContact C-N 3.32Å; H306-H308 PolarHBondContact O-N 3.25Å; H308-A311 WeakPolarHBondContact O-CB 3.33Å; H308-A311 PolarHBondContact O-N 3.24Å; H308-G312 PolarHBondContact O-N 2.89Å; H308-G312 VanDerWaalsContact O-N 3.09Å
309A98.9Very high98.8Very high10 Ų1030.8 Ų30.88%0.08318%0.182CC..Hα-helixtrans-69.9-43.2172.900000111.3L67 C264 H306 N307 A311 G312 V313L67-A309 HydrophobicContact CD2-CB 4.28Å; C264-A309 PolarHBondContact SG-O 2.94Å; C264-A309 VanDerWaalsContact SG-O 3.35Å; H306-A309 HydrophobicContact CB-CB 3.95Å; H306-A309 WeakPolarHBondContact O-CA 3.46Å; H306-A309 WeakPolarHBondContact O-CB 3.5Å; H306-A309 PolarHBondContact O-N 3.25Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.41Å; A309-A311 PolarHBondContact O-N 3.43Å; A309-G312 PolarHBondContact O-N 3.15Å; A309-G312 VanDerWaalsContact O-N 3.09Å; A309-V313 WeakPolarHBondContact O-CG2 3.37Å; A309-V313 PolarHBondContact O-N 3.15Å
310I98.9Very high98.8Very high6 Ų626.9 Ų26.93%0.03116%0.156CC..Hα-helixtrans-57-38.6173.4-63.7173.5000110.6L94 C98 Q118 P305 H306 N307 V313 A314L94-I310 HydrophobicContact CG-CG2 4.28Å; C98-I310 HydrophobicContact CB-CG2 3.71Å; Q118-I310 HydrophobicContact CG-CD1 4.39Å; P305-I310 HydrophobicContact CB-CD1 4.15Å; H306-I310 PolarHBondContact O-N 3.18Å; N307-I310 PolarHBondContact O-N 3.34Å; I310-V313 PolarHBondContact O-N 2.78Å; I310-A314 WeakPolarHBondContact O-CB 3.37Å; I310-A314 PolarHBondContact O-N 3.38Å
311A98.9Very high98.8Very high11 Ų1128.2 Ų28.29%0.09115%0.15CC..Hα-helixtrans-61.1-49.9173.300000112.4A66 L94 N307 H308 A309 V313 A314 V315A66-A311 HydrophobicContact CB-CB 4.12Å; L94-A311 HydrophobicContact CD1-CB 4.07Å; L94-A311 HydrophobicContact CD2-CB 3.81Å; N307-A311 PolarHBondContact O-N 2.93Å; H308-A311 WeakPolarHBondContact O-CB 3.33Å; H308-A311 PolarHBondContact O-N 3.24Å; A309-A311 PolarHBondContact O-N 3.43Å; A311-V313 VanDerWaalsContact C-N 3.29Å; A311-V313 PolarHBondContact O-N 2.89Å; A311-A314 PolarHBondContact O-N 3.2Å; A311-V315 WeakPolarHBondContact O-CG2 3.24Å; A311-V315 PolarHBondContact O-N 3.24Å
312G98.9Very high98.8Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-58.4-39.3174.900000112.9H308 A309 V315 A316H308-G312 PolarHBondContact O-N 2.89Å; H308-G312 VanDerWaalsContact O-N 3.09Å; A309-G312 PolarHBondContact O-N 3.15Å; A309-G312 VanDerWaalsContact O-N 3.09Å; G312-V315 PolarHBondContact O-N 2.72Å; G312-A316 PolarHBondContact O-N 3.49Å
313V98.9Very high98.8Very high3 Ų330.3 Ų30.32%0.01817%0.169CC..Hα-helixtrans-65-46175.2175.30000111.1T257 A266 L268 A309 I310 A311 V315 A316 L317T257-V313 HydrophobicContact CG2-CB 4.46Å; T257-V313 HydrophobicContact CG2-CG1 3.8Å; T257-V313 HydrophobicContact CG2-CG2 3.73Å; A266-V313 HydrophobicContact CB-CG2 3.78Å; L268-V313 HydrophobicContact CD2-CG1 4.29Å; A309-V313 WeakPolarHBondContact O-CG2 3.37Å; A309-V313 PolarHBondContact O-N 3.15Å; I310-V313 PolarHBondContact O-N 2.78Å; A311-V313 VanDerWaalsContact C-N 3.29Å; A311-V313 PolarHBondContact O-N 2.89Å; V313-V315 PolarHBondContact O-N 3.04Å; V313-A316 PolarHBondContact O-N 3.02Å; V313-A316 VanDerWaalsContact O-N 3.12Å; V313-L317 HydrophobicContact CG1-CD1 3.69Å; V313-L317 HydrophobicContact CG1-CG 4.12Å; V313-L317 VanDerWaalsContact O-CG 3.32Å; V313-L317 WeakPolarHBondContact O-CG 3.47Å; V313-L317 PolarHBondContact O-N 3.33Å
314A98.9Very high98.9Very high3 Ų335.3 Ų35.33%0.02519%0.186CC..Hα-helixtrans-60.4-35.2178.100000112.4L94 C98 R101 I310 A311 K318L94-A314 HydrophobicContact CD1-CB 4.36Å; C98-A314 HydrophobicContact CB-CB 3.92Å; R101-A314 WeakPolarHBondContact CD-O 3.4Å; R101-A314 PolarHBondContact NH1-O 3.12Å; I310-A314 WeakPolarHBondContact O-CB 3.37Å; I310-A314 PolarHBondContact O-N 3.38Å; A311-A314 PolarHBondContact O-N 3.2Å; A314-K318 PolarHBondContact O-N 3.02Å
315V98.9Very high98.9Very high39 Ų3935 Ų3524%0.23618%0.183CC..Hα-helixtrans-66.3-49172.5173.80000110.8A62 V63 A66 A311 G312 V313 L317 K318 Q319A62-V315 HydrophobicContact CB-CG1 3.81Å; V63-V315 HydrophobicContact CG2-CB 4.12Å; V63-V315 HydrophobicContact CG2-CG1 3.78Å; A66-V315 HydrophobicContact CB-CG2 4.43Å; A311-V315 WeakPolarHBondContact O-CG2 3.24Å; A311-V315 PolarHBondContact O-N 3.24Å; G312-V315 PolarHBondContact O-N 2.72Å; V313-V315 PolarHBondContact O-N 3.04Å; V315-L317 PolarHBondContact O-N 3.15Å; V315-K318 WeakPolarHBondContact O-CB 3.25Å; V315-K318 PolarHBondContact O-N 3Å; V315-Q319 WeakPolarHBondContact O-CG 3.37Å; V315-Q319 PolarHBondContact O-N 2.79Å; V315-Q319 VanDerWaalsContact O-N 3.12Å
316A98.9Very high98.9Very high2 Ų240 Ų402%0.01720%0.204CC..Hα-helixtrans-61.6-41.1179.900000112.5V63 G263 G312 V313 K318 Q319 A320V63-A316 HydrophobicContact CG2-CB 3.95Å; G263-A316 VanDerWaalsContact CA-CB 3.47Å; G312-A316 PolarHBondContact O-N 3.49Å; V313-A316 PolarHBondContact O-N 3.02Å; V313-A316 VanDerWaalsContact O-N 3.12Å; A316-K318 VanDerWaalsContact C-N 3.33Å; A316-K318 PolarHBondContact O-N 2.87Å; A316-Q319 CarbonylContact O-C 3.58Å; A316-Q319 WeakPolarHBondContact O-CB 3.24Å; A316-Q319 PolarHBondContact O-N 2.91Å; A316-Q319 VanDerWaalsContact O-N 3.13Å; A316-A320 PolarHBondContact O-N 2.99Å
317L98.9Very high98.9Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-63.9-37.7177.1-70.7167.1000112.1R101 A102 A105 L261 V313 V315 Q319 A320 M321R101-L317 HydrophobicContact CB-CB 3.91Å; R101-L317 HydrophobicContact CB-CD1 4.31Å; A102-L317 HydrophobicContact CB-CD1 3.73Å; A102-L317 HydrophobicContact CB-CD2 4.5Å; A105-L317 HydrophobicContact CB-CD2 4.03Å; L261-L317 HydrophobicContact CD2-CD2 4.2Å; V313-L317 HydrophobicContact CG1-CD1 3.69Å; V313-L317 HydrophobicContact CG1-CG 4.12Å; V313-L317 VanDerWaalsContact O-CG 3.32Å; V313-L317 WeakPolarHBondContact O-CG 3.47Å; V313-L317 PolarHBondContact O-N 3.33Å; V315-L317 PolarHBondContact O-N 3.15Å; L317-Q319 VanDerWaalsContact C-N 3.32Å; L317-Q319 PolarHBondContact O-N 3.14Å; L317-A320 PolarHBondContact O-N 3.4Å; L317-M321 PolarHBondContact O-N 2.82Å
318K98.9Very high98.9Very high124 Ų12439.4 Ų39.454%0.53921%0.211SC..Hα-helixtrans-61.2-44172.1-175.6-176.2177.1-175.80111.2A314 V315 A316 A320 M321A314-K318 PolarHBondContact O-N 3.02Å; V315-K318 WeakPolarHBondContact O-CB 3.25Å; V315-K318 PolarHBondContact O-N 3Å; A316-K318 VanDerWaalsContact C-N 3.33Å; A316-K318 PolarHBondContact O-N 2.87Å; K318-A320 VanDerWaalsContact C-N 3.32Å; K318-M321 PolarHBondContact O-N 3.36Å
319Q98.9Very high98.9Very high49 Ų4937.8 Ų37.823%0.22920%0.203CC..Hα-helixtrans-64.9-37.2177.4-67.7172.6-4.400111.6S60 V315 A316 L317 M321 T322 F325S60-Q319 VanDerWaalsContact OG-CD 3.28Å; S60-Q319 PolarHBondContact OG-NE2 2.88Å; S60-Q319 PolarHBondContact OG-OE1 3Å; V315-Q319 WeakPolarHBondContact O-CG 3.37Å; V315-Q319 PolarHBondContact O-N 2.79Å; V315-Q319 VanDerWaalsContact O-N 3.12Å; A316-Q319 CarbonylContact O-C 3.58Å; A316-Q319 WeakPolarHBondContact O-CB 3.24Å; A316-Q319 PolarHBondContact O-N 2.91Å; A316-Q319 VanDerWaalsContact O-N 3.13Å; L317-Q319 VanDerWaalsContact C-N 3.32Å; L317-Q319 PolarHBondContact O-N 3.14Å; Q319-M321 PolarHBondContact O-N 3.05Å; Q319-M321 VanDerWaalsContact O-N 3.16Å; Q319-T322 WeakPolarHBondContact O-CG2 3.14Å; Q319-T322 PolarHBondContact O-N 3.31Å; Q319-T322 VanDerWaalsContact O-N 3.14Å; Q319-T322 PolarHBondContact O-OG1 2.87Å; Q319-F325 WeakPolarHBondContact O-CB 3.19Å
320A98.9Very high98.9Very high4 Ų442.3 Ų42.33%0.03323%0.225CC..Hα-helixtrans-62.1-22.7179.800000113.8A239 L261 A316 L317 K318 F325A239-A320 HydrophobicContact CB-CB 4.45Å; L261-A320 HydrophobicContact CD1-CB 3.83Å; A316-A320 PolarHBondContact O-N 2.99Å; L317-A320 PolarHBondContact O-N 3.4Å; K318-A320 VanDerWaalsContact C-N 3.32Å; A320-F325 HydrophobicContact CB-CD1 4.14Å; A320-F325 HydrophobicContact CB-CE1 3.92Å; A320-F325 HydrophobicContact CB-CE2 4.48Å; A320-F325 HydrophobicContact CB-CG 4.49Å; A320-F325 HydrophobicContact CB-CZ 4.08Å; A320-F325 VanDerWaalsContact O-CD1 3.22Å; A320-F325 WeakPolarHBondContact O-CD1 3.33Å
321M98.8Very high98.9Very high79 Ų7944.4 Ų44.439%0.38924%0.235SC..THydrogen-bonded Turntrans-88.3-1.5179.7-66.6-174.8-71.800114.1R101 E104 A105 L317 K318 Q319R101-M321 HydrophobicContact CB-CE 4.31Å; R101-M321 HydrophobicContact CG-CE 4.15Å; E104-M321 HydrophobicContact CB-CE 4.48Å; E104-M321 HydrophobicContact CB-SD 3.61Å; A105-M321 HydrophobicContact CB-CG 3.84Å; A105-M321 HydrophobicContact CB-SD 4.2Å; L317-M321 PolarHBondContact O-N 2.82Å; K318-M321 PolarHBondContact O-N 3.36Å; Q319-M321 PolarHBondContact O-N 3.05Å; Q319-M321 VanDerWaalsContact O-N 3.16Å
322T98.9Very high98.9Very high47 Ų4743.9 Ų43.929%0.28823%0.231SC..SBendtrans-87.1153.6-176.384.70000112.1Q319 E324 F325 K326Q319-T322 WeakPolarHBondContact O-CG2 3.14Å; Q319-T322 PolarHBondContact O-N 3.31Å; Q319-T322 VanDerWaalsContact O-N 3.14Å; Q319-T322 PolarHBondContact O-OG1 2.87Å; T322-E324 WeakPolarHBondContact CB-OE2 3.22Å; T322-E324 PolarHBondContact O-N 2.92Å; T322-E324 PolarHBondContact OG1-OE2 3.21Å; T322-F325 PolarHBondContact O-N 2.97Å; T322-F325 VanDerWaalsContact O-N 3.13Å; T322-F325 PolarHBondContact OG1-N 3.1Å; T322-K326 PolarHBondContact O-N 3.1Å
323P98.8Very high98.9Very high98 Ų9845.5 Ų45.564%0.63624%0.239SC*.Hα-helixtrans-59.9-32.617523.3-33.7000112.9F325 K326 A327P323-F325 VanDerWaalsContact C-N 3.31Å; P323-F325 PolarHBondContact O-N 2.7Å; P323-K326 PolarHBondContact O-N 2.84Å; P323-A327 PolarHBondContact O-N 2.91Å
324E98.9Very high98.9Very high129 Ų12946.7 Ų46.760%0.60325%0.25SC*.Hα-helixtrans-64.4-36.2176.2-56.776.4-16800111.6T322 A327 Y328T322-E324 WeakPolarHBondContact CB-OE2 3.22Å; T322-E324 PolarHBondContact O-N 2.92Å; T322-E324 PolarHBondContact OG1-OE2 3.21Å; E324-A327 PolarHBondContact O-N 3.31Å; E324-Y328 WeakPolarHBondContact O-CB 3.22Å; E324-Y328 PolarHBondContact O-N 2.82Å
325F98.9Very high98.9Very high3 Ų346.6 Ų46.61%0.01325%0.248CC..Hα-helixtrans-69-39.4175.1-172.6-93.4000111.7L261 Q319 A320 T322 P323 Y328 Q329L261-F325 HydrophobicContact CD1-CZ 4.37Å; Q319-F325 WeakPolarHBondContact O-CB 3.19Å; A320-F325 HydrophobicContact CB-CD1 4.14Å; A320-F325 HydrophobicContact CB-CE1 3.92Å; A320-F325 HydrophobicContact CB-CE2 4.48Å; A320-F325 HydrophobicContact CB-CG 4.49Å; A320-F325 HydrophobicContact CB-CZ 4.08Å; A320-F325 VanDerWaalsContact O-CD1 3.22Å; A320-F325 WeakPolarHBondContact O-CD1 3.33Å; T322-F325 PolarHBondContact O-N 2.97Å; T322-F325 VanDerWaalsContact O-N 3.13Å; T322-F325 PolarHBondContact OG1-N 3.1Å; P323-F325 VanDerWaalsContact C-N 3.31Å; P323-F325 PolarHBondContact O-N 2.7Å; F325-Y328 HydrophobicContact CD2-CD1 4.07Å; F325-Y328 HydrophobicContact CE2-CD1 4.11Å; F325-Y328 HydrophobicContact CE2-CE1 4.24Å; F325-Y328 WeakPolarHBondContact O-CB 3.28Å; F325-Y328 PolarHBondContact O-N 2.91Å; F325-Q329 HydrophobicContact CD1-CG 3.99Å; F325-Q329 HydrophobicContact CE1-CG 3.71Å; F325-Q329 HydrophobicContact CZ-CG 4.2Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 2.9Å
326K98.9Very high98.9Very high111 Ų11144.8 Ų44.848%0.48324%0.238SC..Hα-helixtrans-62.8-42.8173.3-175.4169-174.9169.70111.9A240 T322 P323 Y328 Q329 L330A240-K326 HydrophobicContact CB-CB 4.39Å; A240-K326 HydrophobicContact CB-CG 4.27Å; A240-K326 VanDerWaalsContact O-CE 3.28Å; A240-K326 WeakPolarHBondContact O-CE 3.41Å; T322-K326 PolarHBondContact O-N 3.1Å; P323-K326 PolarHBondContact O-N 2.84Å; K326-Y328 VanDerWaalsContact C-N 3.35Å; K326-Q329 PolarHBondContact O-N 3.08Å; K326-L330 PolarHBondContact O-N 2.95Å
327A98.9Very high98.9Very high59 Ų5951.7 Ų51.749%0.48827%0.267SS..Hα-helixtrans-60.8-43.6174.200000111.7P323 E324 Q329 L330 Q331P323-A327 PolarHBondContact O-N 2.91Å; E324-A327 PolarHBondContact O-N 3.31Å; A327-Q329 PolarHBondContact O-N 2.84Å; A327-L330 PolarHBondContact O-N 2.79Å; A327-Q331 PolarHBondContact O-N 2.82Å
328Y98.9Very high98.9Very high17 Ų1752.3 Ų52.37%0.06727%0.273CS..Hα-helixtrans-55.8-50.2173158.6-109.8000112N57 E324 F325 K326 L330 Q331 V332 P407 T410 S411N57-Y328 PolarHBondContact ND2-OH 2.74Å; E324-Y328 WeakPolarHBondContact O-CB 3.22Å; E324-Y328 PolarHBondContact O-N 2.82Å; F325-Y328 HydrophobicContact CD2-CD1 4.07Å; F325-Y328 HydrophobicContact CE2-CD1 4.11Å; F325-Y328 HydrophobicContact CE2-CE1 4.24Å; F325-Y328 WeakPolarHBondContact O-CB 3.28Å; F325-Y328 PolarHBondContact O-N 2.91Å; K326-Y328 VanDerWaalsContact C-N 3.35Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; Y328-L330 PolarHBondContact O-N 3.37Å; Y328-Q331 WeakPolarHBondContact O-CB 3.46Å; Y328-Q331 PolarHBondContact O-N 2.79Å; Y328-V332 HydrophobicContact CD2-CG2 4.08Å; Y328-V332 HydrophobicContact CE1-CG2 4.25Å; Y328-V332 HydrophobicContact CE2-CG2 3.54Å; Y328-V332 WeakPolarHBondContact O-CG2 3.22Å; Y328-V332 PolarHBondContact O-N 3.01Å; Y328-P407 PolarHBondContact OH-O 3.06Å; Y328-T410 HydrophobicContact CD2-CG2 3.89Å; Y328-T410 HydrophobicContact CE2-CG2 3.91Å; Y328-S411 WeakPolarHBondContact CE2-OG 3.35Å; Y328-S411 PolarHBondContact OH-OG 3.13Å; Y328-S411 VanDerWaalsContact OH-OG 3.12Å
329Q98.9Very high98.9Very high0 Ų046.5 Ų46.50%025%0.247CC..Hα-helixtrans-67.3-32.1-179.1-65-63.83.700112.8G236 L237 A240 L242 T260 F325 K326 A327 Q331 V332 L333G236-Q329 VanDerWaalsContact CA-NE2 3.33Å; L237-Q329 HydrophobicContact CD2-CB 4.1Å; A240-Q329 HydrophobicContact CB-CB 3.76Å; A240-Q329 HydrophobicContact CB-CG 3.78Å; L242-Q329 VanDerWaalsContact CD1-C 3.46Å; L242-Q329 HydrophobicContact CD1-CB 3.57Å; T260-Q329 PolarHBondContact O-NE2 3.47Å; F325-Q329 HydrophobicContact CD1-CG 3.99Å; F325-Q329 HydrophobicContact CE1-CG 3.71Å; F325-Q329 HydrophobicContact CZ-CG 4.2Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 2.9Å; K326-Q329 PolarHBondContact O-N 3.08Å; A327-Q329 PolarHBondContact O-N 2.84Å; Q329-Q331 VanDerWaalsContact C-N 3.35Å; Q329-V332 WeakPolarHBondContact O-CB 3.47Å; Q329-V332 PolarHBondContact O-N 3.22Å; Q329-L333 PolarHBondContact O-N 3.41Å
330L98.9Very high98.9Very high104 Ų10444.3 Ų44.355%0.54524%0.237SC..Hα-helixtrans-64-43.7172.6-174.364.6000110.7L242 K326 A327 Y328 V332 L333 A334L242-L330 HydrophobicContact CD1-CB 4.03Å; L242-L330 VanDerWaalsContact CD1-N 3.28Å; L242-L330 HydrophobicContact CD2-CD1 4.35Å; K326-L330 PolarHBondContact O-N 2.95Å; A327-L330 PolarHBondContact O-N 2.79Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; Y328-L330 PolarHBondContact O-N 3.37Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 3.37Å; L330-L333 PolarHBondContact O-N 3.01Å; L330-A334 PolarHBondContact O-N 3.32Å
331Q98.9Very high98.9Very high51 Ų5146.1 Ų46.124%0.23825%0.25CC..Hα-helixtrans-63.3-36174.6-167.764.951.300111.8A327 Y328 Q329 L333 A334 N335 T410 E416A327-Q331 PolarHBondContact O-N 2.82Å; Y328-Q331 WeakPolarHBondContact O-CB 3.46Å; Y328-Q331 PolarHBondContact O-N 2.79Å; Q329-Q331 VanDerWaalsContact C-N 3.35Å; Q331-L333 VanDerWaalsContact C-N 3.32Å; Q331-L333 PolarHBondContact O-N 3.06Å; Q331-A334 PolarHBondContact O-N 2.95Å; Q331-N335 PolarHBondContact NE2-OD1 2.91Å; Q331-N335 WeakPolarHBondContact O-CB 3.14Å; Q331-N335 PolarHBondContact O-N 3.37Å; Q331-T410 HydrophobicContact CB-CG2 3.75Å; Q331-T410 HydrophobicContact CG-CG2 3.63Å; Q331-E416 VanDerWaalsContact NE2-CD 3.3Å; Q331-E416 PolarHBondContact NE2-OE2 2.9Å
332V98.9Very high98.9Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-57.9-45.6175.1167.10000110.8L237 Y328 Q329 L330 C336 H358 S406 P407 T410L237-V332 HydrophobicContact CD2-CG1 4.37Å; Y328-V332 HydrophobicContact CD2-CG2 4.08Å; Y328-V332 HydrophobicContact CE1-CG2 4.25Å; Y328-V332 HydrophobicContact CE2-CG2 3.54Å; Y328-V332 WeakPolarHBondContact O-CG2 3.22Å; Y328-V332 PolarHBondContact O-N 3.01Å; Q329-V332 WeakPolarHBondContact O-CB 3.47Å; Q329-V332 PolarHBondContact O-N 3.22Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 3.37Å; V332-C336 WeakPolarHBondContact O-CB 3.4Å; V332-C336 PolarHBondContact O-N 3.01Å; V332-H358 HydrophobicContact CG1-CB 3.44Å; V332-H358 VanDerWaalsContact CG1-CB 3.44Å; V332-S406 WeakPolarHBondContact CG1-OG 3.38Å; V332-S406 PolarHBondContact O-OG 3.19Å; V332-P407 HydrophobicContact CG1-CG 4.1Å; V332-T410 HydrophobicContact CG2-CG2 3.74Å
333L98.9Very high98.9Very high33 Ų3340.7 Ų40.717%0.17322%0.221CC..Hα-helixtrans-66.7-46177.3-64.7177.7000111.8L237 L242 Q329 L330 Q331 N335 C336 K337L237-L333 HydrophobicContact CD1-CD2 4.06Å; L237-L333 HydrophobicContact CD2-CD2 3.95Å; L237-L333 HydrophobicContact CD2-CG 4.05Å; L242-L333 HydrophobicContact CB-CD1 3.86Å; L242-L333 HydrophobicContact CD1-CD1 4.23Å; Q329-L333 PolarHBondContact O-N 3.41Å; L330-L333 PolarHBondContact O-N 3.01Å; Q331-L333 VanDerWaalsContact C-N 3.32Å; Q331-L333 PolarHBondContact O-N 3.06Å; L333-N335 VanDerWaalsContact C-N 3.35Å; L333-N335 PolarHBondContact O-N 3.42Å; L333-C336 PolarHBondContact O-N 2.91Å; L333-K337 PolarHBondContact O-N 3.44Å
334A98.9Very high98.9Very high29 Ų2939.3 Ų39.324%0.2421%0.207CC..Hα-helixtrans-59.6-45.3178.300000111.8L330 Q331 C336 K337 A338 E416L330-A334 PolarHBondContact O-N 3.32Å; Q331-A334 PolarHBondContact O-N 2.95Å; A334-C336 PolarHBondContact O-N 2.78Å; A334-K337 PolarHBondContact O-N 3.1Å; A334-A338 PolarHBondContact O-N 2.98Å; A334-E416 HydrophobicContact CB-CG 4.24Å
335N98.9Very high98.9Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-62.6-41176.5-78.6-7.1000112.6Q331 L333 K337 A338 L339 T410 M414 V415 E416 L419Q331-N335 PolarHBondContact NE2-OD1 2.91Å; Q331-N335 WeakPolarHBondContact O-CB 3.14Å; Q331-N335 PolarHBondContact O-N 3.37Å; L333-N335 VanDerWaalsContact C-N 3.35Å; L333-N335 PolarHBondContact O-N 3.42Å; N335-K337 VanDerWaalsContact C-N 3.34Å; N335-A338 PolarHBondContact O-N 3.27Å; N335-L339 WeakPolarHBondContact O-CB 3.43Å; N335-L339 PolarHBondContact O-N 3.44Å; N335-T410 PolarHBondContact ND2-OG1 3.17Å; N335-M414 PolarHBondContact ND2-O 2.87Å; N335-V415 WeakPolarHBondContact OD1-CA 3.27Å; N335-E416 PolarHBondContact OD1-N 3.29Å; N335-E416 VanDerWaalsContact OD1-N 3.12Å; N335-L419 HydrophobicContact CB-CD2 3.75Å; N335-L419 HydrophobicContact CB-CG 3.82Å
336C98.9Very high98.9Very high2 Ų241.5 Ų41.51%0.01422%0.223CC..Hα-helixtrans-62.6-43.5175.9-170.40000111.1V332 L333 A334 L339 S340 N357 L359V332-C336 WeakPolarHBondContact O-CB 3.4Å; V332-C336 PolarHBondContact O-N 3.01Å; L333-C336 PolarHBondContact O-N 2.91Å; A334-C336 PolarHBondContact O-N 2.78Å; C336-L339 PolarHBondContact O-N 3.46Å; C336-S340 WeakPolarHBondContact O-CB 3.3Å; C336-S340 PolarHBondContact O-N 3.25Å; C336-N357 WeakPolarHBondContact CB-O 3.47Å; C336-N357 PolarHBondContact SG-O 3.14Å; C336-N357 VanDerWaalsContact SG-O 3.34Å; C336-L359 PolarHBondContact SG-N 3.23Å
337K98.8Very high98.8Very high147 Ų14738 Ų3864%0.63922%0.218SC*.Hα-helixtrans-63.5-42.2175.9-175.1174.3-179.8178.90112.3L333 A334 N335 S340 S341L333-K337 PolarHBondContact O-N 3.44Å; A334-K337 PolarHBondContact O-N 3.1Å; N335-K337 VanDerWaalsContact C-N 3.34Å; K337-S340 PolarHBondContact O-N 2.91Å; K337-S341 WeakPolarHBondContact O-CB 3.03Å; K337-S341 PolarHBondContact O-N 2.99Å; K337-S341 PolarHBondContact O-OG 3.21Å
338A98.9Very high98.8Very high13 Ų1335.7 Ų35.711%0.10720%0.197CC..Hα-helixtrans-61.3-50.3176.200000111.4A334 N335 S340 S341 S342 E416 L419A334-A338 PolarHBondContact O-N 2.98Å; N335-A338 PolarHBondContact O-N 3.27Å; A338-S340 PolarHBondContact O-N 3.09Å; A338-S341 PolarHBondContact O-N 3.29Å; A338-S342 PolarHBondContact O-N 3.16Å; A338-S342 PolarHBondContact O-OG 3.17Å; A338-E416 HydrophobicContact CB-CB 3.77Å; A338-E416 HydrophobicContact CB-CG 3.92Å; A338-L419 HydrophobicContact CB-CB 4.4Å
339L98.9Very high98.8Very high1 Ų140 Ų401%0.00522%0.216CC..Hα-helixtrans-58.1-47176.5179.761.4000111.8L52 N335 C336 S341 L343 I360 F404 L419 V422 A423 I426L52-L339 HydrophobicContact CD2-CD2 4.23Å; N335-L339 WeakPolarHBondContact O-CB 3.43Å; N335-L339 PolarHBondContact O-N 3.44Å; C336-L339 PolarHBondContact O-N 3.46Å; L339-S341 PolarHBondContact O-N 2.69Å; L339-L343 HydrophobicContact CD1-CD1 3.85Å; L339-L343 HydrophobicContact CD1-CG 4.27Å; L339-L343 HydrophobicContact CG-CD1 3.95Å; L339-L343 WeakPolarHBondContact O-CB 3.37Å; L339-L343 WeakPolarHBondContact O-CG 3.38Å; L339-L343 PolarHBondContact O-N 3.31Å; L339-I360 HydrophobicContact CD2-CD1 4.14Å; L339-I360 HydrophobicContact CG-CD1 4.02Å; L339-F404 HydrophobicContact CD2-CB 4.1Å; L339-L419 HydrophobicContact CB-CB 4.33Å; L339-L419 HydrophobicContact CB-CD1 4.43Å; L339-V422 HydrophobicContact CD1-CG1 4.48Å; L339-A423 HydrophobicContact CD1-CB 3.92Å; L339-I426 HydrophobicContact CD1-CD1 3.99Å
340S98.8Very high98.8Very high3 Ų340.4 Ų40.42%0.02122%0.218CC..Hα-helixtrans-58.2-48177.4-169.50000111.9C336 K337 A338 L343 M344C336-S340 WeakPolarHBondContact O-CB 3.3Å; C336-S340 PolarHBondContact O-N 3.25Å; K337-S340 PolarHBondContact O-N 2.91Å; A338-S340 PolarHBondContact O-N 3.09Å; S340-L343 PolarHBondContact O-N 3.35Å; S340-M344 WeakPolarHBondContact O-CG 3.49Å; S340-M344 PolarHBondContact O-N 2.94Å
341S98.8Very high98.7Very high43 Ų4336.2 Ų36.230%0.30120%0.197SC..Hα-helixtrans-65.5-46.6-176.5-53.50000110.6K337 A338 L339 L343 M344 D345K337-S341 WeakPolarHBondContact O-CB 3.03Å; K337-S341 PolarHBondContact O-N 2.99Å; K337-S341 PolarHBondContact O-OG 3.21Å; A338-S341 PolarHBondContact O-N 3.29Å; L339-S341 PolarHBondContact O-N 2.69Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 3.48Å; S341-M344 WeakPolarHBondContact O-CB 3.41Å; S341-M344 PolarHBondContact O-N 2.97Å; S341-M344 VanDerWaalsContact O-N 3.11Å; S341-D345 VanDerWaalsContact O-CG 3.25Å; S341-D345 PolarHBondContact O-N 2.62Å
342S98.8Very high98.7Very high11 Ų1134.9 Ų34.98%0.07719%0.192CC..Hα-helixtrans-63.1-37.7177.7-62.10000113.5A338 D345 L346 K420A338-S342 PolarHBondContact O-N 3.16Å; A338-S342 PolarHBondContact O-OG 3.17Å; S342-D345 PolarHBondContact O-N 2.86Å; S342-L346 WeakPolarHBondContact O-CD1 3.3Å; S342-L346 VanDerWaalsContact O-CG 3.25Å; S342-L346 WeakPolarHBondContact O-CG 3.23Å; S342-L346 PolarHBondContact O-N 3.03Å; S342-L346 VanDerWaalsContact O-N 3.07Å; S342-K420 WeakPolarHBondContact OG-CG 3.49Å
343L98.8Very high98.6Very high0 Ų037.1 Ų37.10%022%0.215CC..Hα-helixtrans-67.6-37.5174.2-71.5167.7000111.6L339 S340 S341 L346 G347 Y348 I350 I360 L362 A423 I426L339-L343 HydrophobicContact CD1-CD1 3.85Å; L339-L343 HydrophobicContact CD1-CG 4.27Å; L339-L343 HydrophobicContact CG-CD1 3.95Å; L339-L343 WeakPolarHBondContact O-CB 3.37Å; L339-L343 WeakPolarHBondContact O-CG 3.38Å; L339-L343 PolarHBondContact O-N 3.31Å; S340-L343 PolarHBondContact O-N 3.35Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 3.48Å; L343-L346 CarbonylContact O-C 3.54Å; L343-L346 PolarHBondContact O-N 2.86Å; L343-G347 PolarHBondContact O-N 3.31Å; L343-Y348 HydrophobicContact CB-CD2 4.3Å; L343-Y348 HydrophobicContact CD2-CD2 3.92Å; L343-Y348 HydrophobicContact CD2-CE2 4.19Å; L343-Y348 VanDerWaalsContact O-CB 3.32Å; L343-Y348 WeakPolarHBondContact O-CB 3.2Å; L343-Y348 VanDerWaalsContact O-CD2 3.28Å; L343-Y348 WeakPolarHBondContact O-CD2 3.4Å; L343-Y348 PolarHBondContact O-N 3.31Å; L343-I350 HydrophobicContact CB-CD1 4.41Å; L343-I360 HydrophobicContact CD1-CD1 3.65Å; L343-L362 HydrophobicContact CB-CD1 4.35Å; L343-L362 HydrophobicContact CD1-CD1 3.94Å; L343-L362 HydrophobicContact CD2-CD1 4.16Å; L343-L362 HydrophobicContact CG-CD1 4.38Å; L343-A423 HydrophobicContact CD2-CB 4.15Å; L343-A423 HydrophobicContact CG-CB 4.1Å; L343-I426 HydrophobicContact CD2-CB 4.41Å; L343-I426 HydrophobicContact CD2-CG2 4.1Å
344M98.7Very high98.6Very high70 Ų7035.9 Ų35.935%0.34521%0.21SC..Hα-helixtrans-65.3-40.2173.6-70.7-174.8-60.900112.1S340 S341 L346 G347 I350S340-M344 WeakPolarHBondContact O-CG 3.49Å; S340-M344 PolarHBondContact O-N 2.94Å; S341-M344 WeakPolarHBondContact O-CB 3.41Å; S341-M344 PolarHBondContact O-N 2.97Å; S341-M344 VanDerWaalsContact O-N 3.11Å; M344-L346 PolarHBondContact O-N 2.89Å; M344-G347 WeakPolarHBondContact O-CA 3.5Å; M344-G347 PolarHBondContact O-N 3.13Å; M344-I350 HydrophobicContact CG-CB 4.38Å; M344-I350 HydrophobicContact CG-CG1 3.63Å; M344-I350 HydrophobicContact SD-CB 4.34Å; M344-I350 HydrophobicContact SD-CG1 4.15Å
345D98.7Very high98.6Very high137 Ų13735.7 Ų35.773%0.73321%0.207SC*.Hα-helixtrans-61.8-32.5174.8-64.6-25.6000111.9S341 S342 G347S341-D345 VanDerWaalsContact O-CG 3.25Å; S341-D345 PolarHBondContact O-N 2.62Å; S342-D345 PolarHBondContact O-N 2.86Å; D345-G347 PolarHBondContact O-N 2.85Å
346L98.6Very high98.6Very high41 Ų4138.9 Ų38.922%0.21522%0.224CC..THydrogen-bonded Turntrans-78.98.1172-65.3164.6000113.2S342 L343 M344 Y348 K367 A423 H427S342-L346 WeakPolarHBondContact O-CD1 3.3Å; S342-L346 VanDerWaalsContact O-CG 3.25Å; S342-L346 WeakPolarHBondContact O-CG 3.23Å; S342-L346 PolarHBondContact O-N 3.03Å; S342-L346 VanDerWaalsContact O-N 3.07Å; L343-L346 CarbonylContact O-C 3.54Å; L343-L346 PolarHBondContact O-N 2.86Å; M344-L346 PolarHBondContact O-N 2.89Å; L346-Y348 HydrophobicContact CB-CD2 3.92Å; L346-Y348 HydrophobicContact CB-CE2 3.95Å; L346-K367 PolarHBondContact O-NZ 3.33Å; L346-A423 HydrophobicContact CD1-CB 4.39Å; L346-H427 HydrophobicContact CD1-CB 3.9Å
347G98.3Very high98.6Very high36 Ų3639.1 Ų39.137%0.37123%0.225SC..THydrogen-bonded Turntrans76.822.7174.300000114.7L343 M344 D345 N366 K367L343-G347 PolarHBondContact O-N 3.31Å; M344-G347 WeakPolarHBondContact O-CA 3.5Å; M344-G347 PolarHBondContact O-N 3.13Å; D345-G347 PolarHBondContact O-N 2.85Å; G347-N366 PolarHBondContact O-ND2 2.93Å; G347-K367 WeakPolarHBondContact O-CE 3.13Å; G347-K367 PolarHBondContact O-NZ 3.05Å
348Y98.6Very high98.6Very high12 Ų1232.1 Ų32.15%0.04720%0.195CC..PPolyproline II helixtrans-84.5148.4171.7-66.5-78.4000111.5L343 L346 L362 L364 K367 H427 I430L343-Y348 HydrophobicContact CB-CD2 4.3Å; L343-Y348 HydrophobicContact CD2-CD2 3.92Å; L343-Y348 HydrophobicContact CD2-CE2 4.19Å; L343-Y348 VanDerWaalsContact O-CB 3.32Å; L343-Y348 WeakPolarHBondContact O-CB 3.2Å; L343-Y348 VanDerWaalsContact O-CD2 3.28Å; L343-Y348 WeakPolarHBondContact O-CD2 3.4Å; L343-Y348 PolarHBondContact O-N 3.31Å; L346-Y348 HydrophobicContact CB-CD2 3.92Å; L346-Y348 HydrophobicContact CB-CE2 3.95Å; Y348-L362 HydrophobicContact CD1-CD1 3.94Å; Y348-L362 HydrophobicContact CD1-CD2 4Å; Y348-L362 HydrophobicContact CD1-CG 4.32Å; Y348-L362 HydrophobicContact CD2-CD1 4.37Å; Y348-L362 HydrophobicContact CG-CD1 3.76Å; Y348-L362 HydrophobicContact CG-CG 4.42Å; Y348-L364 HydrophobicContact CD1-CD2 4.39Å; Y348-L364 HydrophobicContact CE1-CD2 4.21Å; Y348-K367 HydrophobicContact CD1-CD 4.39Å; Y348-K367 HydrophobicContact CD1-CG 3.9Å; Y348-K367 HydrophobicContact CE1-CD 4.22Å; Y348-K367 HydrophobicContact CE1-CG 3.76Å; Y348-H427 HydrophobicContact CE2-CB 4.12Å; Y348-H427 AromaticContact CE2-ND1 3.55Å; Y348-H427 AromaticContact CZ-ND1 3.72Å; Y348-H427 PolarHBondContact OH-ND1 3.05Å; Y348-H427 VanDerWaalsContact OH-ND1 3.13Å; Y348-I430 HydrophobicContact CD1-CD1 4.43Å; Y348-I430 HydrophobicContact CE1-CB 4.46Å; Y348-I430 HydrophobicContact CE1-CD1 3.56Å; Y348-I430 HydrophobicContact CE1-CG2 4.01Å; Y348-I430 HydrophobicContact CE2-CD1 4.48Å; Y348-I430 WeakPolarHBondContact OH-CB 3.46Å; Y348-I430 WeakPolarHBondContact OH-CD1 3.44Å; Y348-I430 WeakPolarHBondContact OH-CG2 3.34Å
349K98.3Very high98.6Very high108 Ų10831.6 Ų31.647%0.4719%0.19SC..EExtended strand (participates in β ladder)trans-90.1125.8173.3-176.4-179.9177.9-169.80109.6D363K349-D363 HydrophobicContact CB-CB 4.27Å; K349-D363 HydrophobicContact CD-CB 4.29Å; K349-D363 HydrophobicContact CG-CB 4.34Å; K349-D363 IonicContact NZ-OD2 3.47Å; K349-D363 PolarHBondContact O-N 2.99Å
350I98.6Very high98.6Very high7 Ų731.5 Ų31.54%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-103128.4171.5-55.5-57000108.5L343 M344 T352 G353 I360 L362L343-I350 HydrophobicContact CB-CD1 4.41Å; M344-I350 HydrophobicContact CG-CB 4.38Å; M344-I350 HydrophobicContact CG-CG1 3.63Å; M344-I350 HydrophobicContact SD-CB 4.34Å; M344-I350 HydrophobicContact SD-CG1 4.15Å; I350-T352 PolarHBondContact O-N 3.09Å; I350-G353 WeakPolarHBondContact O-CA 3.41Å; I350-G353 PolarHBondContact O-N 3.01Å; I350-I360 HydrophobicContact CD1-CD1 4.14Å; I350-I360 HydrophobicContact CG2-CB 4.13Å; I350-I360 HydrophobicContact CG2-CG2 4.12Å; I350-L362 HydrophobicContact CD1-CB 3.96Å; I350-L362 HydrophobicContact CD1-CD1 4.16Å; I350-L362 HydrophobicContact CD1-CG 4.11Å
351V98.1Very high98.6Very high16 Ų1631.9 Ų31.910%0.09719%0.192CC..G310 helixtrans-59.8137.3177.6178.40000109.2G353 L361 D363 P391V351-G353 PolarHBondContact O-N 3.17Å; V351-G353 VanDerWaalsContact O-N 3.17Å; V351-L361 HydrophobicContact CB-CB 4.13Å; V351-L361 HydrophobicContact CB-CD2 4.13Å; V351-L361 HydrophobicContact CB-CG 4.17Å; V351-L361 HydrophobicContact CG1-CD2 4.37Å; V351-L361 HydrophobicContact CG2-CB 4.2Å; V351-L361 HydrophobicContact CG2-CD2 3.78Å; V351-L361 HydrophobicContact CG2-CG 3.72Å; V351-L361 PolarHBondContact N-O 3.11Å; V351-D363 HydrophobicContact CG2-CB 4.31Å; V351-P391 HydrophobicContact CG1-CG 4Å
352T98.1Very high98.5Very high24 Ų2429.9 Ų29.915%0.14718%0.177CC..G310 helixtrans61.92.8-168.476.80000115.9Y182 S208 R209 I350 G354Y182-T352 HydrophobicContact CD2-CG2 4.08Å; Y182-T352 HydrophobicContact CE2-CG2 3.95Å; S208-T352 PolarHBondContact OG-OG1 2.78Å; S208-T352 VanDerWaalsContact OG-OG1 3.07Å; R209-T352 HydrophobicContact CG-CG2 4.08Å; R209-T352 PolarHBondContact NE-OG1 3.08Å; R209-T352 PolarHBondContact NH2-O 3.3Å; R209-T352 PolarHBondContact NH2-OG1 2.87Å; I350-T352 PolarHBondContact O-N 3.09Å; T352-G354 PolarHBondContact OG1-O 2.65Å
353G97.8Very high98.5Very high47 Ų4729.4 Ų29.449%0.48517%0.174SC..G310 helixtrans78.411.2179.200000115.5I350 V351I350-G353 WeakPolarHBondContact O-CA 3.41Å; I350-G353 PolarHBondContact O-N 3.01Å; V351-G353 PolarHBondContact O-N 3.17Å; V351-G353 VanDerWaalsContact O-N 3.17Å
354G98Very high98.5Very high7 Ų729.4 Ų29.47%0.07217%0.174CC..SBendtrans159.4-155.4179.400000113.4S208 T352S208-G354 WeakPolarHBondContact CB-O 3.19Å; S208-G354 PolarHBondContact OG-O 2.93Å; T352-G354 PolarHBondContact OG1-O 2.65Å
355S98.8Very high98.4Very high25 Ų2530.6 Ų30.618%0.17518%0.175CC..  trans-147.1147.8179.3-172.20000112.5S208 N357 L359S208-S355 CarbonylContact O-C 3.55Å; S208-S355 WeakPolarHBondContact O-CA 3.27Å; S208-S355 PolarHBondContact O-OG 3.31Å; S355-N357 PolarHBondContact OG-N 2.76Å; S355-N357 PolarHBondContact OG-O 3.03Å; S355-N357 PolarHBondContact OG-OD1 3.17Å; S355-L359 WeakPolarHBondContact CB-O 3.19Å; S355-L359 PolarHBondContact OG-O 3.45Å
356D98.8Very high98.1Very high66 Ų6628.3 Ų28.335%0.35316%0.162SC..SBendtrans-104.9-1.3168.6-52.1-29.4000111.5S208 R209 N210S208-D356 PolarHBondContact O-N 3.16Å; R209-D356 WeakPolarHBondContact CD-OD2 3.47Å; R209-D356 IonicContact CZ-OD1 3.13Å; R209-D356 IonicContact NH1-OD1 3.72Å; R209-D356 PolarHBondContact NH1-OD1 3.42Å; R209-D356 IonicContact NH1-OD2 3.51Å; N210-D356 PolarHBondContact N-OD2 2.67Å
357N98.8Very high98.1Very high7 Ų729.3 Ų29.34%0.03717%0.165CC..SBendtrans-134.7-155.5-173.967.135.9000112.1Y207 L237 C336 S355 L359Y207-N357 PolarHBondContact O-ND2 3.47Å; L237-N357 HydrophobicContact CD1-CB 4.13Å; C336-N357 WeakPolarHBondContact CB-O 3.47Å; C336-N357 PolarHBondContact SG-O 3.14Å; C336-N357 VanDerWaalsContact SG-O 3.34Å; S355-N357 PolarHBondContact OG-N 2.76Å; S355-N357 PolarHBondContact OG-O 3.03Å; S355-N357 PolarHBondContact OG-OD1 3.17Å; N357-L359 WeakPolarHBondContact OD1-CG 3.28Å; N357-L359 PolarHBondContact OD1-N 3.16Å; N357-L359 PolarHBondContact OD1-O 3.09Å
358H98.9Very high97.9Very high0 Ų029.8 Ų29.80%017%0.171CC..SBendtrans-88.30.3-172.368.4-71.6000114.9A54 H233 L237 T260 V332 G405 S406 P407A54-H358 PolarHBondContact O-CD2 3.05Å; A54-H358 PolarHBondContact O-NE2 3Å; A54-H358 VanDerWaalsContact O-NE2 3.15Å; H233-H358 AromaticContact ND1-CE1 3.76Å; H233-H358 AromaticContact ND1-NE2 3.48Å; H233-H358 PolarHBondContact ND1-NE2 3.31Å; H233-H358 PolarHBondContact O-CE1 3.4Å; H233-H358 PolarHBondContact O-NE2 3.41Å; L237-H358 HydrophobicContact CD1-CB 4.3Å; T260-H358 HydrophobicContact CG2-CB 4.43Å; V332-H358 HydrophobicContact CG1-CB 3.44Å; V332-H358 VanDerWaalsContact CG1-CB 3.44Å; H358-G405 WeakPolarHBondContact O-CA 3.36Å; H358-S406 PolarHBondContact O-N 3.48Å; H358-S406 PolarHBondContact O-OG 3.4Å; H358-P407 HydrophobicContact CB-CG 3.93Å; H358-P407 VanDerWaalsContact CD2-CG 3.44Å; H358-P407 WeakPolarHBondContact CD2-CG 3.35Å
359L98.9Very high97.8Very high2 Ų229.7 Ų29.71%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-132.8157.9-17769.279.5000113.6A54 S208 C336 S355 N357 F404A54-L359 HydrophobicContact CB-CB 3.78Å; A54-L359 HydrophobicContact CB-CD2 4.04Å; S208-L359 WeakPolarHBondContact CB-O 3.42Å; C336-L359 PolarHBondContact SG-N 3.23Å; S355-L359 WeakPolarHBondContact CB-O 3.19Å; S355-L359 PolarHBondContact OG-O 3.45Å; N357-L359 WeakPolarHBondContact OD1-CG 3.28Å; N357-L359 PolarHBondContact OD1-N 3.16Å; N357-L359 PolarHBondContact OD1-O 3.09Å; L359-F404 CarbonylContact C-O 3.48Å; L359-F404 WeakPolarHBondContact CA-O 3.26Å; L359-F404 WeakPolarHBondContact CB-O 3.5Å
360I98.9Very high97.8Very high0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-128.7154.2168.853.2174.3000110.2L339 L343 I350 R403 F404L339-I360 HydrophobicContact CD2-CD1 4.14Å; L339-I360 HydrophobicContact CG-CD1 4.02Å; L343-I360 HydrophobicContact CD1-CD1 3.65Å; I350-I360 HydrophobicContact CD1-CD1 4.14Å; I350-I360 HydrophobicContact CG2-CB 4.13Å; I350-I360 HydrophobicContact CG2-CG2 4.12Å; I360-R403 WeakPolarHBondContact O-CA 3.45Å; I360-F404 HydrophobicContact CD1-CB 4.46Å; I360-F404 HydrophobicContact CD1-CD2 4.39Å; I360-F404 HydrophobicContact CG1-CB 4.01Å; I360-F404 HydrophobicContact CG1-CD2 4.43Å; I360-F404 PolarHBondContact N-O 3.15Å; I360-F404 PolarHBondContact O-N 2.92Å; I360-F404 VanDerWaalsContact O-N 3.08Å
361L98.8Very high97.7Very high11 Ų1125.5 Ų25.56%0.05815%0.154CC..EExtended strand (participates in β ladder)trans-115.7108.8170.1176.658.9000108.7V351 N388V351-L361 HydrophobicContact CB-CB 4.13Å; V351-L361 HydrophobicContact CB-CD2 4.13Å; V351-L361 HydrophobicContact CB-CG 4.17Å; V351-L361 HydrophobicContact CG1-CD2 4.37Å; V351-L361 HydrophobicContact CG2-CB 4.2Å; V351-L361 HydrophobicContact CG2-CD2 3.78Å; V351-L361 HydrophobicContact CG2-CG 3.72Å; V351-L361 PolarHBondContact N-O 3.11Å; L361-N388 HydrophobicContact CD1-CB 3.89Å
362L98.6Very high97.7Very high0 Ų025 Ų250%015%0.152CC..EExtended strand (participates in β ladder)trans-88.3129.1178.2-175.9150.6000109.4L343 Y348 I350 L364 G401 L402 F404L343-L362 HydrophobicContact CB-CD1 4.35Å; L343-L362 HydrophobicContact CD1-CD1 3.94Å; L343-L362 HydrophobicContact CD2-CD1 4.16Å; L343-L362 HydrophobicContact CG-CD1 4.38Å; Y348-L362 HydrophobicContact CD1-CD1 3.94Å; Y348-L362 HydrophobicContact CD1-CD2 4Å; Y348-L362 HydrophobicContact CD1-CG 4.32Å; Y348-L362 HydrophobicContact CD2-CD1 4.37Å; Y348-L362 HydrophobicContact CG-CD1 3.76Å; Y348-L362 HydrophobicContact CG-CG 4.42Å; I350-L362 HydrophobicContact CD1-CB 3.96Å; I350-L362 HydrophobicContact CD1-CD1 4.16Å; I350-L362 HydrophobicContact CD1-CG 4.11Å; L362-L364 HydrophobicContact CD2-CD2 3.27Å; L362-L364 HydrophobicContact CD2-CG 3.53Å; L362-G401 CarbonylContact O-C 3.57Å; L362-G401 WeakPolarHBondContact O-CA 3.43Å; L362-L402 PolarHBondContact N-O 3.39Å; L362-L402 PolarHBondContact O-N 3.46Å; L362-F404 HydrophobicContact CB-CD2 4.42Å; L362-F404 HydrophobicContact CB-CE2 4.15Å; L362-F404 HydrophobicContact CD1-CE2 4.22Å
363D98.1Very high97.7Very high2 Ų225.5 Ų25.51%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-99.7114.2178.8179.1-1.4000110K349 V351 R365 N366K349-D363 HydrophobicContact CB-CB 4.27Å; K349-D363 HydrophobicContact CD-CB 4.29Å; K349-D363 HydrophobicContact CG-CB 4.34Å; K349-D363 IonicContact NZ-OD2 3.47Å; K349-D363 PolarHBondContact O-N 2.99Å; V351-D363 HydrophobicContact CG2-CB 4.31Å; D363-R365 VanDerWaalsContact OD1-CB 3.3Å; D363-R365 WeakPolarHBondContact OD1-CB 3.46Å; D363-R365 VanDerWaalsContact OD1-CG 3.3Å; D363-R365 WeakPolarHBondContact OD1-CG 3.24Å; D363-R365 IonicContact OD1-CZ 3.3Å; D363-R365 PolarHBondContact OD1-N 2.97Å; D363-R365 IonicContact OD1-NE 3.77Å; D363-R365 PolarHBondContact OD1-NE 2.92Å; D363-R365 IonicContact OD1-NH2 2.64Å; D363-R365 IonicContact OD2-CZ 2.65Å; D363-R365 IonicContact OD2-NE 3.79Å; D363-R365 PolarHBondContact OD2-NE 3.19Å; D363-R365 VanDerWaalsContact OD2-NE 3.13Å; D363-R365 IonicContact OD2-NH2 3.89Å; D363-R365 PolarHBondContact OD2-NH2 2.83Å; D363-N366 PolarHBondContact O-OD1 3.25Å
364L98.2Very high97.7Very high0 Ų023.2 Ų23.20%013%0.128CC..  trans-87.6-1.9-176-65.7165.1000113.9Y348 L362 N366 K367 G368 T369 A374 S400 L402 I430Y348-L364 HydrophobicContact CD1-CD2 4.39Å; Y348-L364 HydrophobicContact CE1-CD2 4.21Å; L362-L364 HydrophobicContact CD2-CD2 3.27Å; L362-L364 HydrophobicContact CD2-CG 3.53Å; L364-N366 VanDerWaalsContact C-N 3.26Å; L364-N366 PolarHBondContact O-N 3.31Å; L364-K367 PolarHBondContact O-N 2.88Å; L364-G368 PolarHBondContact O-N 3.01Å; L364-T369 CarbonylContact C-O 3.56Å; L364-T369 HydrophobicContact CB-CG2 3.98Å; L364-T369 HydrophobicContact CD1-CG2 4.19Å; L364-T369 HydrophobicContact CD2-CG2 4.22Å; L364-T369 HydrophobicContact CG-CG2 4.37Å; L364-A374 HydrophobicContact CD1-CB 3.7Å; L364-S400 VanDerWaalsContact CB-O 3.3Å; L364-S400 WeakPolarHBondContact CB-O 3.45Å; L364-S400 PolarHBondContact N-O 3.4Å; L364-S400 VanDerWaalsContact N-O 3.13Å; L364-L402 HydrophobicContact CD1-CD1 3.96Å; L364-L402 HydrophobicContact CD1-CG 3.94Å; L364-I430 HydrophobicContact CD2-CD1 3.91Å; L364-I430 HydrophobicContact CD2-CG1 4.36Å; L364-I430 HydrophobicContact CD2-CG2 4.13Å
365R95.9Very high97.7Very high95 Ų9524 Ų2436%0.35813%0.13SC..G310 helixtrans-58-38.5-176.9-71.4174.5-69.1-167.72.3112.3D363 K367 G368 P391 D393 S400D363-R365 VanDerWaalsContact OD1-CB 3.3Å; D363-R365 WeakPolarHBondContact OD1-CB 3.46Å; D363-R365 VanDerWaalsContact OD1-CG 3.3Å; D363-R365 WeakPolarHBondContact OD1-CG 3.24Å; D363-R365 IonicContact OD1-CZ 3.3Å; D363-R365 PolarHBondContact OD1-N 2.97Å; D363-R365 IonicContact OD1-NE 3.77Å; D363-R365 PolarHBondContact OD1-NE 2.92Å; D363-R365 IonicContact OD1-NH2 2.64Å; D363-R365 IonicContact OD2-CZ 2.65Å; D363-R365 IonicContact OD2-NE 3.79Å; D363-R365 PolarHBondContact OD2-NE 3.19Å; D363-R365 VanDerWaalsContact OD2-NE 3.13Å; D363-R365 IonicContact OD2-NH2 3.89Å; D363-R365 PolarHBondContact OD2-NH2 2.83Å; R365-K367 PolarHBondContact O-N 3.06Å; R365-G368 PolarHBondContact O-N 3.48Å; R365-G368 VanDerWaalsContact O-N 3.16Å; R365-P391 PolarHBondContact NH1-O 2.88Å; R365-P391 PolarHBondContact NH2-O 2.8Å; R365-D393 IonicContact NH1-OD1 2.67Å; R365-S400 WeakPolarHBondContact CD-OG 3.43Å; R365-S400 WeakPolarHBondContact CG-OG 3.49Å
366N94Very high97.7Very high88 Ų8826 Ų2647%0.47114%0.135SC..G310 helixtrans-71.6-11.7178.975.7-31000113.7G347 D363 L364G347-N366 PolarHBondContact O-ND2 2.93Å; D363-N366 PolarHBondContact O-OD1 3.25Å; L364-N366 VanDerWaalsContact C-N 3.26Å; L364-N366 PolarHBondContact O-N 3.31Å
367K97.1Very high97.7Very high62 Ų6222.8 Ų22.827%0.2712%0.118SC..G310 helixtrans-99.1-5.5173.5-59.9-60.1-168.8178.10112.8L346 G347 Y348 L364 R365 L434L346-K367 PolarHBondContact O-NZ 3.33Å; G347-K367 WeakPolarHBondContact O-CE 3.13Å; G347-K367 PolarHBondContact O-NZ 3.05Å; Y348-K367 HydrophobicContact CD1-CD 4.39Å; Y348-K367 HydrophobicContact CD1-CG 3.9Å; Y348-K367 HydrophobicContact CE1-CD 4.22Å; Y348-K367 HydrophobicContact CE1-CG 3.76Å; L364-K367 PolarHBondContact O-N 2.88Å; R365-K367 PolarHBondContact O-N 3.06Å; K367-L434 VanDerWaalsContact O-CD2 3.28Å; K367-L434 WeakPolarHBondContact O-CD2 3.36Å
368G95.5Very high97.7Very high47 Ų4722.5 Ų22.549%0.48512%0.117SC..THydrogen-bonded Turntrans75.325.8178.600000114.5L364 R365 Q437L364-G368 PolarHBondContact O-N 3.01Å; R365-G368 PolarHBondContact O-N 3.48Å; R365-G368 VanDerWaalsContact O-N 3.16Å; G368-Q437 PolarHBondContact O-NE2 3.2Å
369T96.8Very high97.7Very high10 Ų1027.5 Ų27.56%0.06114%0.14CC..  trans-134.8-176.8172.8-162.80000110.8L364 I430 L434 Q437L364-T369 CarbonylContact C-O 3.56Å; L364-T369 HydrophobicContact CB-CG2 3.98Å; L364-T369 HydrophobicContact CD1-CG2 4.19Å; L364-T369 HydrophobicContact CD2-CG2 4.22Å; L364-T369 HydrophobicContact CG-CG2 4.37Å; T369-I430 HydrophobicContact CG2-CG2 4.44Å; T369-L434 HydrophobicContact CG2-CD2 4.15Å; T369-Q437 PolarHBondContact OG1-OE1 2.91Å
370D96.9Very high97.7Very high27 Ų2728.6 Ų28.614%0.14415%0.15CC..  trans-132.4160-177.959.189.7000112G372 R373 A374D370-G372 PolarHBondContact O-N 3.13Å; D370-G372 WeakPolarHBondContact OD1-CA 3.44Å; D370-G372 PolarHBondContact OD1-N 3.37Å; D370-G372 VanDerWaalsContact OD1-N 3.15Å; D370-R373 VanDerWaalsContact CG-NH1 3.32Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 PolarHBondContact OD1-N 3.17Å; D370-R373 IonicContact OD1-NH1 2.78Å; D370-R373 PolarHBondContact OD1-NH1 3.03Å; D370-R373 IonicContact OD2-CZ 2.74Å; D370-R373 IonicContact OD2-NE 3.24Å; D370-R373 IonicContact OD2-NH1 2.87Å; D370-R373 PolarHBondContact OD2-NH1 3.42Å; D370-A374 PolarHBondContact O-N 3.02Å; D370-A374 VanDerWaalsContact O-N 3.15Å
371G97.3Very high97.7Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-63-28.9-17900000112.8E375 P399 G401G371-E375 WeakPolarHBondContact O-CB 3.41Å; G371-E375 PolarHBondContact O-N 2.92Å; G371-P399 PolarHBondContact N-O 3.03Å; G371-G401 WeakPolarHBondContact CA-O 3.45Å
372G96.9Very high97.6Very high6 Ų628.9 Ų28.96%0.06215%0.153CC..Hα-helixtrans-59.9-47.3178.300000113.5D370D370-G372 PolarHBondContact O-N 3.13Å; D370-G372 WeakPolarHBondContact OD1-CA 3.44Å; D370-G372 PolarHBondContact OD1-N 3.37Å; D370-G372 VanDerWaalsContact OD1-N 3.15Å
373R98Very high97.7Very high33 Ų3328.9 Ų28.913%0.12515%0.153CC..Hα-helixtrans-74.5-46177.6-69.7175.4177.677.4-11.7111.9D370 E375 K376 V377 T433 A444 L446 F449D370-R373 VanDerWaalsContact CG-NH1 3.32Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 PolarHBondContact OD1-N 3.17Å; D370-R373 IonicContact OD1-NH1 2.78Å; D370-R373 PolarHBondContact OD1-NH1 3.03Å; D370-R373 IonicContact OD2-CZ 2.74Å; D370-R373 IonicContact OD2-NE 3.24Å; D370-R373 IonicContact OD2-NH1 2.87Å; D370-R373 PolarHBondContact OD2-NH1 3.42Å; R373-E375 PolarHBondContact O-N 2.71Å; R373-K376 PolarHBondContact O-N 3Å; R373-V377 PolarHBondContact O-N 3.18Å; R373-T433 HydrophobicContact CB-CG2 3.83Å; R373-A444 PolarHBondContact NH2-O 3.01Å; R373-L446 HydrophobicContact CG-CD1 3.79Å; R373-F449 HydrophobicContact CB-CD1 4.08Å; R373-F449 HydrophobicContact CB-CD2 4.4Å; R373-F449 HydrophobicContact CB-CE1 3.77Å; R373-F449 HydrophobicContact CB-CE2 4.09Å; R373-F449 HydrophobicContact CB-CG 4.4Å; R373-F449 HydrophobicContact CB-CZ 3.79Å; R373-F449 HydrophobicContact CG-CB 4.45Å; R373-F449 HydrophobicContact CG-CD1 3.85Å; R373-F449 HydrophobicContact CG-CD2 3.96Å; R373-F449 HydrophobicContact CG-CE1 4.07Å; R373-F449 HydrophobicContact CG-CE2 4.15Å; R373-F449 HydrophobicContact CG-CG 3.81Å; R373-F449 HydrophobicContact CG-CZ 4.22Å
374A98.6Very high97.7Very high0 Ų029.7 Ų29.70%016%0.16CC..Hα-helixtrans-63.7-40.3-176.700000112.7L364 D370 K376 V377 L378 L402 T433L364-A374 HydrophobicContact CD1-CB 3.7Å; D370-A374 PolarHBondContact O-N 3.02Å; D370-A374 VanDerWaalsContact O-N 3.15Å; A374-K376 VanDerWaalsContact C-N 3.28Å; A374-K376 PolarHBondContact O-N 3.13Å; A374-V377 PolarHBondContact O-N 3.31Å; A374-L378 WeakPolarHBondContact O-CB 3.37Å; A374-L378 VanDerWaalsContact O-CG 3.31Å; A374-L378 WeakPolarHBondContact O-CG 3.37Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-L402 HydrophobicContact CB-CD1 3.86Å; A374-T433 HydrophobicContact CB-CG2 4.18Å
375E98.5Very high97.7Very high22 Ų2230.3 Ų30.310%0.10316%0.164CC..Hα-helixtrans-55.2-43.4174.5-178.8-165.5104.200111.4G371 R373 V377 L378 E379 K387 L402G371-E375 WeakPolarHBondContact O-CB 3.41Å; G371-E375 PolarHBondContact O-N 2.92Å; R373-E375 PolarHBondContact O-N 2.71Å; E375-V377 PolarHBondContact O-N 3.13Å; E375-L378 PolarHBondContact O-N 3.33Å; E375-E379 VanDerWaalsContact O-CB 3.26Å; E375-E379 WeakPolarHBondContact O-CB 3.07Å; E375-E379 PolarHBondContact O-N 3.35Å; E375-K387 IonicContact OE1-NZ 3.41Å; E375-K387 PolarHBondContact OE1-NZ 3.34Å; E375-K387 VanDerWaalsContact OE2-CB 3.3Å; E375-K387 WeakPolarHBondContact OE2-CB 3.24Å; E375-K387 WeakPolarHBondContact OE2-CD 3.42Å; E375-K387 WeakPolarHBondContact OE2-CG 3.21Å; E375-K387 PolarHBondContact OE2-N 2.89Å; E375-K387 IonicContact OE2-NZ 3.91Å; E375-K387 PolarHBondContact OE2-NZ 2.89Å; E375-L402 HydrophobicContact CB-CD2 4.07Å
376K98.4Very high97.7Very high67 Ų6727.2 Ų27.229%0.29116%0.155SC..Hα-helixtrans-67.3-36.8-177.5-70-71.8148.7-150.80113R373 A374 E379 A380 V450R373-K376 PolarHBondContact O-N 3Å; A374-K376 VanDerWaalsContact C-N 3.28Å; A374-K376 PolarHBondContact O-N 3.13Å; K376-E379 IonicContact NZ-OE2 2.86Å; K376-E379 PolarHBondContact NZ-OE2 2.87Å; K376-A380 PolarHBondContact O-N 3.29Å; K376-V450 HydrophobicContact CB-CG2 4.5Å; K376-V450 HydrophobicContact CD-CG2 4.4Å; K376-V450 HydrophobicContact CG-CG2 4.13Å
377V98.8Very high97.8Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-71.8-44.1176.2178.30000110.9R373 A374 E375 E379 A380 C381 G429 L432 T433 F449 L453R373-V377 PolarHBondContact O-N 3.18Å; A374-V377 PolarHBondContact O-N 3.31Å; E375-V377 PolarHBondContact O-N 3.13Å; V377-E379 VanDerWaalsContact C-N 3.34Å; V377-E379 PolarHBondContact O-N 3.14Å; V377-A380 WeakPolarHBondContact O-CB 3.43Å; V377-A380 PolarHBondContact O-N 3.16Å; V377-C381 PolarHBondContact O-N 3.38Å; V377-C381 VanDerWaalsContact O-N 3.11Å; V377-C381 PolarHBondContact O-SG 3.44Å; V377-G429 WeakPolarHBondContact CG1-O 3.48Å; V377-L432 HydrophobicContact CG1-CB 4.06Å; V377-L432 HydrophobicContact CG1-CD2 3.7Å; V377-L432 HydrophobicContact CG1-CG 3.78Å; V377-T433 WeakPolarHBondContact CB-OG1 3.49Å; V377-T433 HydrophobicContact CG2-CG2 4.41Å; V377-T433 WeakPolarHBondContact CG2-OG1 3.37Å; V377-F449 HydrophobicContact CG2-CE1 3.92Å; V377-F449 HydrophobicContact CG2-CZ 3.81Å; V377-L453 HydrophobicContact CG2-CD1 4.15Å; V377-L453 HydrophobicContact CG2-CD2 3.93Å
378L98.8Very high97.9Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-61.1-43177-70.3171.4000111.5A374 E375 A380 C381 A382 I383 L402 F404A374-L378 WeakPolarHBondContact O-CB 3.37Å; A374-L378 VanDerWaalsContact O-CG 3.31Å; A374-L378 WeakPolarHBondContact O-CG 3.37Å; A374-L378 PolarHBondContact O-N 3.45Å; E375-L378 PolarHBondContact O-N 3.33Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.13Å; L378-C381 CarbonylContact O-C 3.29Å; L378-C381 WeakPolarHBondContact O-CA 3.37Å; L378-C381 PolarHBondContact O-N 3.49Å; L378-A382 PolarHBondContact O-N 2.85Å; L378-I383 CarbonylContact C-O 3.49Å; L378-I383 HydrophobicContact CB-CB 4.1Å; L378-I383 HydrophobicContact CB-CG2 4.4Å; L378-I383 HydrophobicContact CD2-CB 4.29Å; L378-I383 HydrophobicContact CD2-CD1 3.84Å; L378-I383 HydrophobicContact CD2-CG2 4.3Å; L378-I383 WeakPolarHBondContact O-CA 3.31Å; L378-I383 WeakPolarHBondContact O-CB 3.45Å; L378-I383 PolarHBondContact O-N 2.83Å; L378-L402 HydrophobicContact CD1-CD1 3.64Å; L378-F404 HydrophobicContact CD1-CE1 4.39Å; L378-F404 HydrophobicContact CD1-CZ 4.25Å
379E98.5Very high97.8Very high106 Ų10623.6 Ų23.650%0.49512%0.124SC..Hα-helixtrans-57.7-45.3174.5-179.6178-15800111.6E375 K376 V377 C381 A382 I383E375-E379 VanDerWaalsContact O-CB 3.26Å; E375-E379 WeakPolarHBondContact O-CB 3.07Å; E375-E379 PolarHBondContact O-N 3.35Å; K376-E379 IonicContact NZ-OE2 2.86Å; K376-E379 PolarHBondContact NZ-OE2 2.87Å; V377-E379 VanDerWaalsContact C-N 3.34Å; V377-E379 PolarHBondContact O-N 3.14Å; E379-C381 PolarHBondContact O-N 3.13Å; E379-A382 PolarHBondContact O-N 3.44Å; E379-A382 VanDerWaalsContact O-N 3.1Å; E379-I383 PolarHBondContact N-O 2.8Å
380A98.4Very high97.7Very high25 Ų2523.2 Ų23.221%0.20712%0.122CC..Hα-helixtrans-62.3-29.2176.700000112.7K376 V377 L378 A382 V463 R467K376-A380 PolarHBondContact O-N 3.29Å; V377-A380 WeakPolarHBondContact O-CB 3.43Å; V377-A380 PolarHBondContact O-N 3.16Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.13Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A380-V463 HydrophobicContact CB-CG1 3.78Å; A380-V463 HydrophobicContact CB-CG2 4.4Å; A380-V463 WeakPolarHBondContact O-CG1 3.32Å; A380-R467 WeakPolarHBondContact O-CD 3.34Å; A380-R467 PolarHBondContact O-NH1 2.84Å
381C98.8Very high97.5Very high0 Ų022.5 Ų22.50%012%0.119CC..THydrogen-bonded Turntrans-88.614.6177-58.70000114.1V377 L378 E379 I383 V466 V470V377-C381 PolarHBondContact O-N 3.38Å; V377-C381 VanDerWaalsContact O-N 3.11Å; V377-C381 PolarHBondContact O-SG 3.44Å; L378-C381 CarbonylContact O-C 3.29Å; L378-C381 WeakPolarHBondContact O-CA 3.37Å; L378-C381 PolarHBondContact O-N 3.49Å; E379-C381 PolarHBondContact O-N 3.13Å; C381-I383 VanDerWaalsContact C-N 3.31Å; C381-I383 PolarHBondContact O-N 3.12Å; C381-V466 HydrophobicContact CB-CB 4.42Å; C381-V466 HydrophobicContact CB-CG1 3.9Å; C381-V470 WeakPolarHBondContact O-CG1 3.46Å
382A98.7Very high96.9Very high16 Ų1625 Ų2513%0.13214%0.144CC..THydrogen-bonded Turntrans63.228.8-177.300000114.9G49 L50 L378 E379 A380 R467 V470 E471G49-A382 WeakPolarHBondContact CA-O 3.35Å; L50-A382 PolarHBondContact N-O 3.07Å; L378-A382 PolarHBondContact O-N 2.85Å; E379-A382 PolarHBondContact O-N 3.44Å; E379-A382 VanDerWaalsContact O-N 3.1Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A382-R467 HydrophobicContact CB-CG 4.16Å; A382-V470 HydrophobicContact CB-CG1 4.12Å; A382-E471 HydrophobicContact CB-CG 4.02Å
383I98.9Very high96.5Very high1 Ų126.3 Ų26.31%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-111.6104.5174-55.8172000108.6L50 L52 L378 E379 C381 F425 I426 V470L50-I383 HydrophobicContact CB-CG1 4.41Å; L50-I383 HydrophobicContact CD1-CG1 4.3Å; L52-I383 HydrophobicContact CD1-CG2 3.73Å; L378-I383 CarbonylContact C-O 3.49Å; L378-I383 HydrophobicContact CB-CB 4.1Å; L378-I383 HydrophobicContact CB-CG2 4.4Å; L378-I383 HydrophobicContact CD2-CB 4.29Å; L378-I383 HydrophobicContact CD2-CD1 3.84Å; L378-I383 HydrophobicContact CD2-CG2 4.3Å; L378-I383 WeakPolarHBondContact O-CA 3.31Å; L378-I383 WeakPolarHBondContact O-CB 3.45Å; L378-I383 PolarHBondContact O-N 2.83Å; E379-I383 PolarHBondContact N-O 2.8Å; C381-I383 VanDerWaalsContact C-N 3.31Å; C381-I383 PolarHBondContact O-N 3.12Å; I383-F425 HydrophobicContact CD1-CB 3.87Å; I383-I426 HydrophobicContact CG2-CG1 4.47Å; I383-V470 HydrophobicContact CD1-CG2 4.09Å; I383-V470 HydrophobicContact CG1-CG1 4.13Å; I383-V470 HydrophobicContact CG1-CG2 4.14Å
384A98.7Very high95.6Very high19 Ų1935.1 Ų35.116%0.15719%0.189CC..EExtended strand (participates in β ladder)trans-84.6122-179.300000110.4L50 E51 L52 I53L50-A384 PolarHBondContact O-N 3.15Å; E51-A384 WeakPolarHBondContact OE2-CB 3.32Å; L52-A384 CarbonylContact C-O 3.57Å; L52-A384 WeakPolarHBondContact CA-O 3.26Å; L52-A384 WeakPolarHBondContact CB-O 3.37Å; L52-A384 PolarHBondContact N-O 3.43Å; I53-A384 HydrophobicContact CD1-CB 4.27Å; I53-A384 HydrophobicContact CG1-CB 4.38Å; I53-A384 PolarHBondContact N-O 3.32Å
385C98.1Very high94.6Very high12 Ų1237.5 Ų37.58%0.08121%0.206CC..  trans-147.9-178.9175.264.90000109.4F404C385-F404 HydrophobicContact CB-CD1 3.67Å; C385-F404 HydrophobicContact CB-CE1 3.4Å; C385-F404 VanDerWaalsContact CB-CE1 3.4Å; C385-F404 HydrophobicContact CB-CZ 4.47Å
386N96.2Very high93.7Very high30 Ų3039.5 Ų39.516%0.1623%0.225CC..EExtended strand (participates in β ladder)trans-133.2137.3174.175-95.7000111.5R403N386-R403 PolarHBondContact O-N 3.02Å; N386-R403 VanDerWaalsContact OD1-CZ 3.3Å; N386-R403 PolarHBondContact OD1-NE 3.02Å; N386-R403 PolarHBondContact OD1-NH2 2.86Å
387K96.9Very high92.9Very high81 Ų8143.9 Ų43.935%0.35225%0.251SS..EExtended strand (participates in β ladder)trans-62.4145.1165.170.5-163.7160.3-74.20110.7E375 P399 G401 L402E375-K387 IonicContact OE1-NZ 3.41Å; E375-K387 PolarHBondContact OE1-NZ 3.34Å; E375-K387 VanDerWaalsContact OE2-CB 3.3Å; E375-K387 WeakPolarHBondContact OE2-CB 3.24Å; E375-K387 WeakPolarHBondContact OE2-CD 3.42Å; E375-K387 WeakPolarHBondContact OE2-CG 3.21Å; E375-K387 PolarHBondContact OE2-N 2.89Å; E375-K387 IonicContact OE2-NZ 3.91Å; E375-K387 PolarHBondContact OE2-NZ 2.89Å; K387-P399 HydrophobicContact CB-CB 4.47Å; K387-P399 HydrophobicContact CB-CG 3.78Å; K387-P399 HydrophobicContact CD-CG 3.79Å; K387-P399 HydrophobicContact CG-CG 3.59Å; K387-G401 CarbonylContact C-O 3.49Å; K387-G401 VanDerWaalsContact CA-O 3.31Å; K387-G401 WeakPolarHBondContact CA-O 3.5Å; K387-L402 HydrophobicContact CB-CD2 4.41Å
388N97.4Very high92.3Very high26 Ų2652.6 Ų52.614%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-148.1144.6-179.1-153.397.6000109.8L361 P399 G401 R403L361-N388 HydrophobicContact CD1-CB 3.89Å; N388-P399 VanDerWaalsContact O-CB 3.27Å; N388-P399 WeakPolarHBondContact O-CB 3.5Å; N388-G401 PolarHBondContact N-O 2.8Å; N388-G401 CarbonylContact O-C 3.59Å; N388-G401 VanDerWaalsContact O-CA 3.28Å; N388-G401 WeakPolarHBondContact O-CA 3.42Å; N388-G401 PolarHBondContact O-N 2.69Å; N388-R403 HydrophobicContact CB-CB 4.13Å
389T95.1Very high92Very high15 Ų1553.1 Ų53.19%0.09229%0.287CS..  trans-62.3145.4170.945.70000109.9P146 D393 A396 P399P146-T389 WeakPolarHBondContact CA-OG1 3.34Å; P146-T389 HydrophobicContact CB-CG2 4.26Å; P146-T389 WeakPolarHBondContact O-CB 3.35Å; P146-T389 PolarHBondContact O-OG1 2.93Å; T389-D393 VanDerWaalsContact CA-OD2 3.29Å; T389-D393 WeakPolarHBondContact CA-OD2 3.31Å; T389-A396 HydrophobicContact CG2-CB 4.24Å; T389-P399 HydrophobicContact CG2-CB 4.2Å
390C94.1Very high91.9Very high2 Ų248.9 Ų48.91%0.01427%0.27CS..  trans-107157.5169-69.60000110.4G392 D393 G401C390-G392 PolarHBondContact O-N 3.33Å; C390-D393 PolarHBondContact N-OD2 2.87Å; C390-D393 WeakPolarHBondContact O-CB 3.38Å; C390-D393 PolarHBondContact O-N 3.01Å; C390-G401 VanDerWaalsContact SG-CA 3.52Å
391P91.9Very high91.9Very high12 Ų1247.7 Ų47.78%0.07826%0.26CS..THydrogen-bonded Turntrans-52.3131.4169.5-24.734.1000111.2V176 P178 V351 R365V176-P391 HydrophobicContact CG2-CB 3.98Å; V176-P391 HydrophobicContact CG2-CG 3.81Å; P178-P391 HydrophobicContact CB-CB 4.38Å; V351-P391 HydrophobicContact CG1-CG 4Å; R365-P391 PolarHBondContact NH1-O 2.88Å; R365-P391 PolarHBondContact NH2-O 2.8Å
392G85.7Confident91.9Very high51 Ų5147.7 Ų47.753%0.52626%0.26SS..THydrogen-bonded Turntrans86.31.6-175.700000115.8C390 K394C390-G392 PolarHBondContact O-N 3.33Å; G392-K394 PolarHBondContact O-N 3.02Å
393D88.7Confident91.9Very high35 Ų3547.8 Ų47.819%0.18726%0.257CS..  trans-64.2127.7170.5-80.7-9.7000111R365 T389 C390 S395 S400R365-D393 IonicContact NH1-OD1 2.67Å; T389-D393 VanDerWaalsContact CA-OD2 3.29Å; T389-D393 WeakPolarHBondContact CA-OD2 3.31Å; C390-D393 PolarHBondContact N-OD2 2.87Å; C390-D393 WeakPolarHBondContact O-CB 3.38Å; C390-D393 PolarHBondContact O-N 3.01Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 2.76Å; D393-S400 WeakPolarHBondContact OD1-CB 3.44Å; D393-S400 PolarHBondContact OD1-OG 2.92Å; D393-S400 PolarHBondContact OD2-N 2.91Å
394K78.1Confident91.9Very high218 Ų21847.8 Ų47.895%0.94826%0.257SS*.SBendtrans-77.8-12.1178.7-61.9-175.1179.8-177.90113.3G392G392-K394 PolarHBondContact O-N 3.02Å
395S77.6Confident91.9Very high50 Ų5046.9 Ų46.935%0.3525%0.25SC..  trans-153128.4-176.1-175.70000112D393 L397 R398D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 2.76Å; S395-L397 PolarHBondContact O-N 3.09Å; S395-L397 PolarHBondContact OG-N 3.22Å; S395-R398 PolarHBondContact O-N 3.19Å
396A79.9Confident91.9Very high63 Ų6346.3 Ų46.352%0.52125%0.246SC..THydrogen-bonded Turntrans-67.3-15.9171.800000113.7T389T389-A396 HydrophobicContact CG2-CB 4.24Å
397L81.3Confident92.1Very high160 Ų16045 Ų4584%0.83824%0.238SC*.THydrogen-bonded Turntrans-78.7-19.6179.9-64.2175.3000113.2S395S395-L397 PolarHBondContact O-N 3.09Å; S395-L397 PolarHBondContact OG-N 3.22Å
398R85.6Confident92.2Very high183 Ų18341.2 Ų41.269%0.69122%0.222SC*.SBendtrans-131.873.2178.4-72.8-170.6-73.4-170.4-4109.7S395S395-R398 PolarHBondContact O-N 3.19Å
399P94.3Very high92.2Very high10 Ų1040 Ų407%0.06522%0.216CC..  trans-64.6134.4-179.623.3-31.1000111.5G371 K387 N388 T389G371-P399 PolarHBondContact N-O 3.03Å; K387-P399 HydrophobicContact CB-CB 4.47Å; K387-P399 HydrophobicContact CB-CG 3.78Å; K387-P399 HydrophobicContact CD-CG 3.79Å; K387-P399 HydrophobicContact CG-CG 3.59Å; N388-P399 VanDerWaalsContact O-CB 3.27Å; N388-P399 WeakPolarHBondContact O-CB 3.5Å; T389-P399 HydrophobicContact CG2-CB 4.2Å
400S96.6Very high92.4Very high17 Ų1739.6 Ų39.612%0.11921%0.214CC..  trans-79.4-17.5180-66.10000114.1L364 R365 D393L364-S400 VanDerWaalsContact CB-O 3.3Å; L364-S400 WeakPolarHBondContact CB-O 3.45Å; L364-S400 PolarHBondContact N-O 3.4Å; L364-S400 VanDerWaalsContact N-O 3.13Å; R365-S400 WeakPolarHBondContact CD-OG 3.43Å; R365-S400 WeakPolarHBondContact CG-OG 3.49Å; D393-S400 WeakPolarHBondContact OD1-CB 3.44Å; D393-S400 PolarHBondContact OD1-OG 2.92Å; D393-S400 PolarHBondContact OD2-N 2.91Å
401G97.6Very high92.7Very high0 Ų040.3 Ų40.30%022%0.219CC..EExtended strand (participates in β ladder)trans-113.7167.5-167.900000115.6L362 G371 K387 N388 C390L362-G401 CarbonylContact O-C 3.57Å; L362-G401 WeakPolarHBondContact O-CA 3.43Å; G371-G401 WeakPolarHBondContact CA-O 3.45Å; K387-G401 CarbonylContact C-O 3.49Å; K387-G401 VanDerWaalsContact CA-O 3.31Å; K387-G401 WeakPolarHBondContact CA-O 3.5Å; N388-G401 PolarHBondContact N-O 2.8Å; N388-G401 CarbonylContact O-C 3.59Å; N388-G401 VanDerWaalsContact O-CA 3.28Å; N388-G401 WeakPolarHBondContact O-CA 3.42Å; N388-G401 PolarHBondContact O-N 2.69Å; C390-G401 VanDerWaalsContact SG-CA 3.52Å
402L98.7Very high93Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-120.4134.8166.9-68.8174.1000109.2L362 L364 A374 E375 L378 K387 F404L362-L402 PolarHBondContact N-O 3.39Å; L362-L402 PolarHBondContact O-N 3.46Å; L364-L402 HydrophobicContact CD1-CD1 3.96Å; L364-L402 HydrophobicContact CD1-CG 3.94Å; A374-L402 HydrophobicContact CB-CD1 3.86Å; E375-L402 HydrophobicContact CB-CD2 4.07Å; L378-L402 HydrophobicContact CD1-CD1 3.64Å; K387-L402 HydrophobicContact CB-CD2 4.41Å; L402-F404 HydrophobicContact CB-CD2 4.44Å; L402-F404 HydrophobicContact CB-CE1 4.41Å; L402-F404 HydrophobicContact CB-CE2 3.68Å; L402-F404 HydrophobicContact CB-CZ 3.69Å; L402-F404 HydrophobicContact CD1-CE2 4.26Å; L402-F404 HydrophobicContact CD1-CZ 3.66Å; L402-F404 HydrophobicContact CG-CZ 4.3Å
403R98.8Very high93.6Very high19 Ų1939.8 Ų39.87%0.07221%0.214CC..EExtended strand (participates in β ladder)trans-99.4126.8173.4-174.3-176.169.6168.8-2109.1A54 S205 C206 H233 I360 N386 N388A54-R403 HydrophobicContact CB-CG 4.23Å; S205-R403 PolarHBondContact O-NH1 3.33Å; C206-R403 WeakPolarHBondContact SG-CD 3.42Å; H233-R403 PolarHBondContact CE1-NH1 3.35Å; I360-R403 WeakPolarHBondContact O-CA 3.45Å; N386-R403 PolarHBondContact O-N 3.02Å; N386-R403 VanDerWaalsContact OD1-CZ 3.3Å; N386-R403 PolarHBondContact OD1-NE 3.02Å; N386-R403 PolarHBondContact OD1-NH2 2.86Å; N388-R403 HydrophobicContact CB-CB 4.13Å
404F98.9Very high94.1Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-122.5143.6175.7-57.3-69.7000110.1L52 L339 L359 I360 L362 L378 C385 L402 I426L52-F404 HydrophobicContact CB-CB 4.4Å; L52-F404 HydrophobicContact CB-CD1 3.77Å; L52-F404 HydrophobicContact CD1-CD1 3.81Å; L52-F404 HydrophobicContact CD1-CE1 4.17Å; L52-F404 HydrophobicContact CG-CD1 4.37Å; L52-F404 CarbonylContact O-C 3.53Å; L52-F404 WeakPolarHBondContact O-CA 3.43Å; L339-F404 HydrophobicContact CD2-CB 4.1Å; L359-F404 CarbonylContact C-O 3.48Å; L359-F404 WeakPolarHBondContact CA-O 3.26Å; L359-F404 WeakPolarHBondContact CB-O 3.5Å; I360-F404 HydrophobicContact CD1-CB 4.46Å; I360-F404 HydrophobicContact CD1-CD2 4.39Å; I360-F404 HydrophobicContact CG1-CB 4.01Å; I360-F404 HydrophobicContact CG1-CD2 4.43Å; I360-F404 PolarHBondContact N-O 3.15Å; I360-F404 PolarHBondContact O-N 2.92Å; I360-F404 VanDerWaalsContact O-N 3.08Å; L362-F404 HydrophobicContact CB-CD2 4.42Å; L362-F404 HydrophobicContact CB-CE2 4.15Å; L362-F404 HydrophobicContact CD1-CE2 4.22Å; L378-F404 HydrophobicContact CD1-CE1 4.39Å; L378-F404 HydrophobicContact CD1-CZ 4.25Å; C385-F404 HydrophobicContact CB-CD1 3.67Å; C385-F404 HydrophobicContact CB-CE1 3.4Å; C385-F404 VanDerWaalsContact CB-CE1 3.4Å; C385-F404 HydrophobicContact CB-CZ 4.47Å; L402-F404 HydrophobicContact CB-CD2 4.44Å; L402-F404 HydrophobicContact CB-CE1 4.41Å; L402-F404 HydrophobicContact CB-CE2 3.68Å; L402-F404 HydrophobicContact CB-CZ 3.69Å; L402-F404 HydrophobicContact CD1-CE2 4.26Å; L402-F404 HydrophobicContact CD1-CZ 3.66Å; L402-F404 HydrophobicContact CG-CZ 4.3Å; F404-I426 HydrophobicContact CD1-CD1 4.32Å; F404-I426 HydrophobicContact CE1-CD1 4.09Å; F404-I426 HydrophobicContact CE1-CG1 4.39Å; F404-I426 HydrophobicContact CE2-CD1 4.46Å; F404-I426 HydrophobicContact CE2-CG2 4.25Å; F404-I426 HydrophobicContact CZ-CD1 4.15Å; F404-I426 HydrophobicContact CZ-CG1 4.42Å; F404-I426 HydrophobicContact CZ-CG2 3.81Å
405G98.8Very high95.1Very high1 Ų130.5 Ų30.51%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-137152.1171.100000112.7L52 H358 P407L52-G405 PolarHBondContact O-N 3.26Å; H358-G405 WeakPolarHBondContact O-CA 3.36Å; G405-P407 VanDerWaalsContact C-CD 3.41Å
406S98.9Very high96.1Very high0 Ų031.6 Ų31.60%018%0.177CC..SBendtrans-88.7-13.3-178.5570000117.8V332 H358 A408 T410V332-S406 WeakPolarHBondContact CG1-OG 3.38Å; V332-S406 PolarHBondContact O-OG 3.19Å; H358-S406 PolarHBondContact O-N 3.48Å; H358-S406 PolarHBondContact O-OG 3.4Å; S406-A408 PolarHBondContact O-N 3.29Å; S406-T410 VanDerWaalsContact O-CB 3.32Å; S406-T410 WeakPolarHBondContact O-CB 3.5Å; S406-T410 PolarHBondContact O-N 2.95Å; S406-T410 PolarHBondContact O-OG1 3.4Å
407P98.9Very high97Very high1 Ų133.9 Ų33.91%0.00618%0.177CC..Hα-helixtrans-57.9-44.1-169.4-29.335.4000116.2N57 T260 Y328 V332 H358 G405 S411N57-P407 PolarHBondContact OD1-O 2.95Å; T260-P407 HydrophobicContact CG2-CB 4.47Å; T260-P407 HydrophobicContact CG2-CG 3.83Å; Y328-P407 PolarHBondContact OH-O 3.06Å; V332-P407 HydrophobicContact CG1-CG 4.1Å; H358-P407 HydrophobicContact CB-CG 3.93Å; H358-P407 VanDerWaalsContact CD2-CG 3.44Å; H358-P407 WeakPolarHBondContact CD2-CG 3.35Å; G405-P407 VanDerWaalsContact C-CD 3.41Å; P407-S411 PolarHBondContact O-N 3.07Å; P407-S411 PolarHBondContact O-OG 3.31Å
408A98.9Very high97.8Very high2 Ų227.2 Ų27.22%0.01714%0.142CC..Hα-helixtrans-68.8-51-174.500000111.7E51 F58 S406 T410 S411 R412E51-A408 HydrophobicContact CB-CB 3.73Å; F58-A408 HydrophobicContact CD2-CB 4.35Å; F58-A408 WeakPolarHBondContact CD2-O 3.32Å; F58-A408 HydrophobicContact CE2-CB 3.88Å; F58-A408 WeakPolarHBondContact CE2-O 3.46Å; F58-A408 HydrophobicContact CZ-CB 4.41Å; S406-A408 PolarHBondContact O-N 3.29Å; A408-T410 VanDerWaalsContact C-N 3.31Å; A408-T410 PolarHBondContact O-N 2.95Å; A408-S411 WeakPolarHBondContact O-CB 3.35Å; A408-S411 PolarHBondContact O-N 2.98Å; A408-S411 VanDerWaalsContact O-N 3.15Å; A408-R412 PolarHBondContact O-N 3.26Å
409L98.9Very high98.5Very high0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-60.7-39.5175.6-66-169.8000112.6L50 E51 L52 S411 R412 G413 M414 L419 V422L50-L409 HydrophobicContact CD2-CD1 4.21Å; L50-L409 HydrophobicContact CD2-CD2 3.99Å; E51-L409 WeakPolarHBondContact O-CG 3.31Å; L52-L409 HydrophobicContact CD2-CD1 3.58Å; L52-L409 HydrophobicContact CD2-CG 4.42Å; L52-L409 HydrophobicContact CG-CD1 4.13Å; L409-S411 VanDerWaalsContact C-N 3.31Å; L409-S411 PolarHBondContact O-N 2.81Å; L409-R412 WeakPolarHBondContact O-CB 3.43Å; L409-R412 PolarHBondContact O-N 3.43Å; L409-G413 PolarHBondContact O-N 2.78Å; L409-M414 HydrophobicContact CB-CB 4.41Å; L409-M414 HydrophobicContact CB-CG 4.41Å; L409-M414 HydrophobicContact CB-SD 3.63Å; L409-M414 HydrophobicContact CD1-SD 3.8Å; L409-M414 HydrophobicContact CD2-CE 3.99Å; L409-M414 HydrophobicContact CD2-SD 3.87Å; L409-M414 HydrophobicContact CG-SD 3.95Å; L409-M414 WeakPolarHBondContact O-CB 3.32Å; L409-M414 PolarHBondContact O-N 3.12Å; L409-L419 HydrophobicContact CD1-CD1 4.23Å; L409-V422 HydrophobicContact CD1-CG1 4.35Å; L409-V422 HydrophobicContact CD1-CG2 4.12Å
410T98.9Very high98.7Very high8 Ų821.8 Ų21.85%0.04912%0.122CC..Hα-helixtrans-65.1-36.3176.9-50.90000111.5Y328 Q331 V332 N335 S406 A408 R412 G413Y328-T410 HydrophobicContact CD2-CG2 3.89Å; Y328-T410 HydrophobicContact CE2-CG2 3.91Å; Q331-T410 HydrophobicContact CB-CG2 3.75Å; Q331-T410 HydrophobicContact CG-CG2 3.63Å; V332-T410 HydrophobicContact CG2-CG2 3.74Å; N335-T410 PolarHBondContact ND2-OG1 3.17Å; S406-T410 VanDerWaalsContact O-CB 3.32Å; S406-T410 WeakPolarHBondContact O-CB 3.5Å; S406-T410 PolarHBondContact O-N 2.95Å; S406-T410 PolarHBondContact O-OG1 3.4Å; A408-T410 VanDerWaalsContact C-N 3.31Å; A408-T410 PolarHBondContact O-N 2.95Å; T410-R412 PolarHBondContact O-N 2.99Å; T410-G413 PolarHBondContact O-N 3.46Å
411S98.9Very high98.8Very high17 Ų1726 Ų2612%0.11914%0.138CC..Hα-helixtrans-64.7-20.7174.2-73.10000113.2N57 R262 Y328 P407 A408 L409 G413 P480N57-S411 WeakPolarHBondContact OD1-CB 3.35Å; N57-S411 PolarHBondContact OD1-OG 3.46Å; R262-S411 VanDerWaalsContact CD-OG 3.23Å; R262-S411 WeakPolarHBondContact CD-OG 3.4Å; R262-S411 PolarHBondContact NH1-OG 3.18Å; Y328-S411 WeakPolarHBondContact CE2-OG 3.35Å; Y328-S411 PolarHBondContact OH-OG 3.13Å; Y328-S411 VanDerWaalsContact OH-OG 3.12Å; P407-S411 PolarHBondContact O-N 3.07Å; P407-S411 PolarHBondContact O-OG 3.31Å; A408-S411 WeakPolarHBondContact O-CB 3.35Å; A408-S411 PolarHBondContact O-N 2.98Å; A408-S411 VanDerWaalsContact O-N 3.15Å; L409-S411 VanDerWaalsContact C-N 3.31Å; L409-S411 PolarHBondContact O-N 2.81Å; S411-G413 VanDerWaalsContact C-N 3.31Å; S411-P480 WeakPolarHBondContact O-CG 3.4Å
412R98.8Very high98.8Very high2 Ų226 Ų261%0.00814%0.138CC..THydrogen-bonded Turntrans-86.1-0.8172.2-60.3-17264.4-173.9-3.4113.2Q46 T47 G49 F58 A408 L409 T410 A474 F477 P478Q46-R412 PolarHBondContact O-NH1 2.89Å; Q46-R412 VanDerWaalsContact O-NH1 3.1Å; T47-R412 PolarHBondContact O-NH1 2.95Å; T47-R412 PolarHBondContact O-NH2 3.24Å; G49-R412 PolarHBondContact O-NH1 3.32Å; F58-R412 HydrophobicContact CD2-CG 3.81Å; F58-R412 HydrophobicContact CE2-CG 3.59Å; A408-R412 PolarHBondContact O-N 3.26Å; L409-R412 WeakPolarHBondContact O-CB 3.43Å; L409-R412 PolarHBondContact O-N 3.43Å; T410-R412 PolarHBondContact O-N 2.99Å; R412-A474 PolarHBondContact NH2-O 3.28Å; R412-F477 HydrophobicContact CB-CB 4.09Å; R412-F477 PolarHBondContact NH2-O 2.84Å; R412-P478 WeakPolarHBondContact CB-O 3.37Å; R412-P478 WeakPolarHBondContact CG-O 3.41Å; R412-P478 PolarHBondContact NE-O 3.48Å; R412-P478 WeakPolarHBondContact O-CD 3.38Å; R412-P478 WeakPolarHBondContact O-CG 3.4Å
413G98.7Very high98.8Very high49 Ų4926 Ų2651%0.50514%0.138SC..THydrogen-bonded Turntrans94.38.5176.700000115.3L409 T410 S411L409-G413 PolarHBondContact O-N 2.78Å; T410-G413 PolarHBondContact O-N 3.46Å; S411-G413 VanDerWaalsContact C-N 3.31Å
414M98.9Very high98.9Very high0 Ų029.8 Ų29.80%016%0.157CC..  trans-66141.5174.7-68.3-175.1-174.600111.6L50 N335 L409 D418 L419 V422 F473 F477L50-M414 HydrophobicContact CD2-CE 3.66Å; L50-M414 HydrophobicContact CD2-SD 4.34Å; N335-M414 PolarHBondContact ND2-O 2.87Å; L409-M414 HydrophobicContact CB-CB 4.41Å; L409-M414 HydrophobicContact CB-CG 4.41Å; L409-M414 HydrophobicContact CB-SD 3.63Å; L409-M414 HydrophobicContact CD1-SD 3.8Å; L409-M414 HydrophobicContact CD2-CE 3.99Å; L409-M414 HydrophobicContact CD2-SD 3.87Å; L409-M414 HydrophobicContact CG-SD 3.95Å; L409-M414 WeakPolarHBondContact O-CB 3.32Å; L409-M414 PolarHBondContact O-N 3.12Å; M414-D418 WeakPolarHBondContact CA-OD2 3.5Å; M414-D418 HydrophobicContact CB-CB 3.92Å; M414-D418 HydrophobicContact CG-CB 4.11Å; M414-L419 HydrophobicContact CB-CD2 3.98Å; M414-V422 HydrophobicContact SD-CG2 4.48Å; M414-F473 HydrophobicContact CE-CE1 4.17Å; M414-F473 HydrophobicContact SD-CE1 4.5Å; M414-F477 HydrophobicContact CB-CE1 4.28Å; M414-F477 HydrophobicContact CE-CD1 4.4Å; M414-F477 HydrophobicContact CE-CD2 3.4Å; M414-F477 VanDerWaalsContact CE-CD2 3.4Å; M414-F477 HydrophobicContact CE-CE2 3.59Å; M414-F477 HydrophobicContact CE-CG 3.85Å; M414-F477 HydrophobicContact CE-CZ 4.18Å; M414-F477 HydrophobicContact CG-CD1 3.66Å; M414-F477 HydrophobicContact CG-CD2 4.27Å; M414-F477 HydrophobicContact CG-CE1 3.48Å; M414-F477 VanDerWaalsContact CG-CE1 3.48Å; M414-F477 HydrophobicContact CG-CE2 4.13Å; M414-F477 HydrophobicContact CG-CG 4.06Å; M414-F477 HydrophobicContact CG-CZ 3.74Å
415V98.9Very high98.9Very high59 Ų5930.8 Ų30.836%0.35816%0.161SC..  trans-120.2-176.8177.8-61.60000111.3N335 E417 D418 L419N335-V415 WeakPolarHBondContact OD1-CA 3.27Å; V415-E417 VanDerWaalsContact C-N 3.33Å; V415-E417 PolarHBondContact O-N 3.37Å; V415-D418 WeakPolarHBondContact CG2-OD2 3.28Å; V415-D418 PolarHBondContact N-OD2 3Å; V415-D418 WeakPolarHBondContact O-CA 3.42Å; V415-D418 VanDerWaalsContact O-CB 3.3Å; V415-D418 WeakPolarHBondContact O-CB 3.49Å; V415-D418 PolarHBondContact O-N 3.32Å; V415-L419 VanDerWaalsContact O-CD2 3.23Å; V415-L419 WeakPolarHBondContact O-CD2 3.5Å; V415-L419 PolarHBondContact O-N 2.88Å; V415-L419 VanDerWaalsContact O-N 3.11Å
416E98.9Very high98.9Very high73 Ų7330.7 Ų30.734%0.34116%0.161SC..Hα-helixtrans-55.8-43.6-169.3-64.894.4139.200113.1Q331 A334 N335 A338 D418 L419 K420Q331-E416 VanDerWaalsContact NE2-CD 3.3Å; Q331-E416 PolarHBondContact NE2-OE2 2.9Å; A334-E416 HydrophobicContact CB-CG 4.24Å; N335-E416 PolarHBondContact OD1-N 3.29Å; N335-E416 VanDerWaalsContact OD1-N 3.12Å; A338-E416 HydrophobicContact CB-CB 3.77Å; A338-E416 HydrophobicContact CB-CG 3.92Å; E416-D418 VanDerWaalsContact C-N 3.26Å; E416-D418 PolarHBondContact O-N 3.4Å; E416-L419 PolarHBondContact O-N 3.05Å; E416-L419 VanDerWaalsContact O-N 3.12Å; E416-K420 WeakPolarHBondContact O-CG 3.47Å; E416-K420 PolarHBondContact O-N 3.21Å
417E98.8Very high98.9Very high110 Ų11032.6 Ų32.651%0.51417%0.169SC..Hα-helixtrans-62.5-32.4177.8-66.3-53.5129.800112.8V415 K420 K421V415-E417 VanDerWaalsContact C-N 3.33Å; V415-E417 PolarHBondContact O-N 3.37Å; E417-K420 PolarHBondContact O-N 3.38Å; E417-K420 WeakPolarHBondContact OE1-CE 3.29Å; E417-K420 IonicContact OE1-NZ 2.71Å; E417-K420 PolarHBondContact OE1-NZ 3.09Å; E417-K420 IonicContact OE2-NZ 3.32Å; E417-K420 PolarHBondContact OE2-NZ 3.09Å; E417-K421 PolarHBondContact O-N 3.29Å
418D98.9Very high98.8Very high21 Ų2135.7 Ų35.711%0.11218%0.181CC..Hα-helixtrans-69.7-41.1174.5-59.7-47.3000110.5M414 V415 E416 K420 K421 V422 F473 F477M414-D418 WeakPolarHBondContact CA-OD2 3.5Å; M414-D418 HydrophobicContact CB-CB 3.92Å; M414-D418 HydrophobicContact CG-CB 4.11Å; V415-D418 WeakPolarHBondContact CG2-OD2 3.28Å; V415-D418 PolarHBondContact N-OD2 3Å; V415-D418 WeakPolarHBondContact O-CA 3.42Å; V415-D418 VanDerWaalsContact O-CB 3.3Å; V415-D418 WeakPolarHBondContact O-CB 3.49Å; V415-D418 PolarHBondContact O-N 3.32Å; E416-D418 VanDerWaalsContact C-N 3.26Å; E416-D418 PolarHBondContact O-N 3.4Å; D418-K420 VanDerWaalsContact C-N 3.26Å; D418-K420 PolarHBondContact O-N 3.45Å; D418-K421 WeakPolarHBondContact O-CA 3.38Å; D418-K421 WeakPolarHBondContact O-CB 3.42Å; D418-K421 PolarHBondContact O-N 2.89Å; D418-V422 WeakPolarHBondContact O-CG2 3.43Å; D418-V422 PolarHBondContact O-N 3.24Å; D418-F473 HydrophobicContact CB-CZ 3.89Å; D418-F477 HydrophobicContact CB-CZ 4.28Å
419L98.8Very high98.8Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-67.4-26.9177.8-82.7-56.7000112.7N335 A338 L339 L409 M414 V415 E416 V422 A423N335-L419 HydrophobicContact CB-CD2 3.75Å; N335-L419 HydrophobicContact CB-CG 3.82Å; A338-L419 HydrophobicContact CB-CB 4.4Å; L339-L419 HydrophobicContact CB-CB 4.33Å; L339-L419 HydrophobicContact CB-CD1 4.43Å; L409-L419 HydrophobicContact CD1-CD1 4.23Å; M414-L419 HydrophobicContact CB-CD2 3.98Å; V415-L419 VanDerWaalsContact O-CD2 3.23Å; V415-L419 WeakPolarHBondContact O-CD2 3.5Å; V415-L419 PolarHBondContact O-N 2.88Å; V415-L419 VanDerWaalsContact O-N 3.11Å; E416-L419 PolarHBondContact O-N 3.05Å; E416-L419 VanDerWaalsContact O-N 3.12Å; L419-V422 HydrophobicContact CD1-CB 4.3Å; L419-V422 HydrophobicContact CD1-CG2 4.38Å; L419-V422 PolarHBondContact O-N 2.97Å; L419-A423 PolarHBondContact O-N 2.72Å
420K98.9Very high98.8Very high78 Ų7835.6 Ų35.634%0.33918%0.18SC..Hα-helixtrans-63.8-43.1167.9-62-179.1-176.3168.70111.2S342 E416 E417 D418 A423 H424S342-K420 WeakPolarHBondContact OG-CG 3.49Å; E416-K420 WeakPolarHBondContact O-CG 3.47Å; E416-K420 PolarHBondContact O-N 3.21Å; E417-K420 PolarHBondContact O-N 3.38Å; E417-K420 WeakPolarHBondContact OE1-CE 3.29Å; E417-K420 IonicContact OE1-NZ 2.71Å; E417-K420 PolarHBondContact OE1-NZ 3.09Å; E417-K420 IonicContact OE2-NZ 3.32Å; E417-K420 PolarHBondContact OE2-NZ 3.09Å; D418-K420 VanDerWaalsContact C-N 3.26Å; D418-K420 PolarHBondContact O-N 3.45Å; K420-A423 WeakPolarHBondContact O-CB 3.31Å; K420-A423 PolarHBondContact O-N 3.34Å; K420-H424 PolarHBondContact O-N 2.86Å; K420-H424 PolarHBondContact O-ND1 3.48Å
421K98.8Very high98.8Very high105 Ų10539.1 Ų39.146%0.45720%0.196SC..Hα-helixtrans-64.3-42.2174.6-64.2172.2-175.41660111.3E417 D418 A423 H424 F425 F473E417-K421 PolarHBondContact O-N 3.29Å; D418-K421 WeakPolarHBondContact O-CA 3.38Å; D418-K421 WeakPolarHBondContact O-CB 3.42Å; D418-K421 PolarHBondContact O-N 2.89Å; K421-A423 VanDerWaalsContact C-N 3.29Å; K421-A423 PolarHBondContact O-N 3.27Å; K421-H424 WeakPolarHBondContact O-CB 3.19Å; K421-H424 PolarHBondContact O-N 3.47Å; K421-F425 WeakPolarHBondContact O-CD2 3.34Å; K421-F425 PolarHBondContact O-N 3.37Å; K421-F473 HydrophobicContact CB-CZ 4.19Å; K421-F473 HydrophobicContact CD-CD2 4.34Å; K421-F473 HydrophobicContact CD-CE2 3.61Å; K421-F473 HydrophobicContact CD-CZ 3.93Å
422V98.9Very high98.8Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-57.8-41.7174.1175.40000111.3L50 L52 L339 L409 M414 D418 L419 H424 F425 I426 F473L50-V422 HydrophobicContact CD1-CG1 4.4Å; L50-V422 HydrophobicContact CD1-CG2 4.1Å; L50-V422 HydrophobicContact CD2-CG2 4.17Å; L52-V422 HydrophobicContact CD1-CG1 3.84Å; L52-V422 HydrophobicContact CD2-CG1 4.1Å; L52-V422 HydrophobicContact CG-CG1 4.43Å; L339-V422 HydrophobicContact CD1-CG1 4.48Å; L409-V422 HydrophobicContact CD1-CG1 4.35Å; L409-V422 HydrophobicContact CD1-CG2 4.12Å; M414-V422 HydrophobicContact SD-CG2 4.48Å; D418-V422 WeakPolarHBondContact O-CG2 3.43Å; D418-V422 PolarHBondContact O-N 3.24Å; L419-V422 HydrophobicContact CD1-CB 4.3Å; L419-V422 HydrophobicContact CD1-CG2 4.38Å; L419-V422 PolarHBondContact O-N 2.97Å; V422-H424 VanDerWaalsContact C-N 3.28Å; V422-H424 PolarHBondContact O-N 3.2Å; V422-F425 PolarHBondContact O-N 3.4Å; V422-I426 HydrophobicContact CG1-CD1 4.03Å; V422-I426 HydrophobicContact CG1-CG1 4.45Å; V422-I426 WeakPolarHBondContact O-CG1 3.35Å; V422-I426 PolarHBondContact O-N 3.43Å; V422-F473 HydrophobicContact CG2-CE1 3.99Å
423A98.9Very high98.8Very high0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-58.3-38.8174.500000112.6L339 L343 L346 L419 K420 K421 I426 H427L339-A423 HydrophobicContact CD1-CB 3.92Å; L343-A423 HydrophobicContact CD2-CB 4.15Å; L343-A423 HydrophobicContact CG-CB 4.1Å; L346-A423 HydrophobicContact CD1-CB 4.39Å; L419-A423 PolarHBondContact O-N 2.72Å; K420-A423 WeakPolarHBondContact O-CB 3.31Å; K420-A423 PolarHBondContact O-N 3.34Å; K421-A423 VanDerWaalsContact C-N 3.29Å; K421-A423 PolarHBondContact O-N 3.27Å; A423-I426 PolarHBondContact O-N 3.02Å; A423-H427 WeakPolarHBondContact O-CB 3.38Å; A423-H427 PolarHBondContact O-N 3.3Å
424H98.9Very high98.8Very high99 Ų9937 Ų3746%0.45817%0.172SC..Hα-helixtrans-69.3-38.4176.3-71.280.3000112.3K420 K421 V422 H427 R428K420-H424 PolarHBondContact O-N 2.86Å; K420-H424 PolarHBondContact O-ND1 3.48Å; K421-H424 WeakPolarHBondContact O-CB 3.19Å; K421-H424 PolarHBondContact O-N 3.47Å; V422-H424 VanDerWaalsContact C-N 3.28Å; V422-H424 PolarHBondContact O-N 3.2Å; H424-H427 PolarHBondContact O-N 2.73Å; H424-R428 WeakPolarHBondContact O-CG 3.4Å; H424-R428 PolarHBondContact O-N 3.33Å
425F98.9Very high98.7Very high21 Ų2139.7 Ų39.79%0.09219%0.185CC..Hα-helixtrans-63.4-43.6173.1-70.2-52000112.1L50 I383 K421 V422 H427 R428 G429 E469 V470 F473L50-F425 HydrophobicContact CD1-CD2 4Å; I383-F425 HydrophobicContact CD1-CB 3.87Å; K421-F425 WeakPolarHBondContact O-CD2 3.34Å; K421-F425 PolarHBondContact O-N 3.37Å; V422-F425 PolarHBondContact O-N 3.4Å; F425-H427 VanDerWaalsContact C-N 3.31Å; F425-H427 PolarHBondContact O-N 3.37Å; F425-R428 PolarHBondContact O-N 3.43Å; F425-G429 PolarHBondContact O-N 2.82Å; F425-E469 HydrophobicContact CE1-CB 3.88Å; F425-E469 HydrophobicContact CZ-CB 4.34Å; F425-V470 HydrophobicContact CB-CG2 4.07Å; F425-V470 HydrophobicContact CD1-CG2 3.69Å; F425-V470 HydrophobicContact CD2-CG2 4.16Å; F425-V470 HydrophobicContact CE1-CG2 4.11Å; F425-V470 HydrophobicContact CG-CG2 3.73Å; F425-F473 HydrophobicContact CD2-CD1 4.38Å; F425-F473 HydrophobicContact CE2-CB 3.97Å; F425-F473 AromaticContact CE2-CD1 3.69Å; F425-F473 HydrophobicContact CE2-CD1 3.69Å; F425-F473 HydrophobicContact CE2-CE1 4.39Å; F425-F473 AromaticContact CE2-CG 3.88Å; F425-F473 HydrophobicContact CE2-CG 3.88Å; F425-F473 HydrophobicContact CZ-CB 4.16Å; F425-F473 HydrophobicContact CZ-CG 4.47Å
426I98.9Very high98.6Very high0 Ų036.9 Ų36.90%017%0.168CC..Hα-helixtrans-58.2-46.6173.4-66.9165.7000110.1L52 L339 L343 I383 F404 V422 A423 R428 G429 I430L52-I426 HydrophobicContact CD1-CD1 3.66Å; L52-I426 HydrophobicContact CD1-CG1 4.08Å; L339-I426 HydrophobicContact CD1-CD1 3.99Å; L343-I426 HydrophobicContact CD2-CB 4.41Å; L343-I426 HydrophobicContact CD2-CG2 4.1Å; I383-I426 HydrophobicContact CG2-CG1 4.47Å; F404-I426 HydrophobicContact CD1-CD1 4.32Å; F404-I426 HydrophobicContact CE1-CD1 4.09Å; F404-I426 HydrophobicContact CE1-CG1 4.39Å; F404-I426 HydrophobicContact CE2-CD1 4.46Å; F404-I426 HydrophobicContact CE2-CG2 4.25Å; F404-I426 HydrophobicContact CZ-CD1 4.15Å; F404-I426 HydrophobicContact CZ-CG1 4.42Å; F404-I426 HydrophobicContact CZ-CG2 3.81Å; V422-I426 HydrophobicContact CG1-CD1 4.03Å; V422-I426 HydrophobicContact CG1-CG1 4.45Å; V422-I426 WeakPolarHBondContact O-CG1 3.35Å; V422-I426 PolarHBondContact O-N 3.43Å; A423-I426 PolarHBondContact O-N 3.02Å; I426-R428 PolarHBondContact O-N 3.39Å; I426-G429 PolarHBondContact O-N 3.38Å; I426-I430 HydrophobicContact CG2-CD1 3.71Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 2.97Å
427H98.9Very high98.6Very high39 Ų3936.2 Ų36.218%0.18116%0.164CC..Hα-helixtrans-59.1-48.2179.5172.474.5000112.1L346 Y348 A423 H424 F425 G429 I430 E431L346-H427 HydrophobicContact CD1-CB 3.9Å; Y348-H427 HydrophobicContact CE2-CB 4.12Å; Y348-H427 AromaticContact CE2-ND1 3.55Å; Y348-H427 AromaticContact CZ-ND1 3.72Å; Y348-H427 PolarHBondContact OH-ND1 3.05Å; Y348-H427 VanDerWaalsContact OH-ND1 3.13Å; A423-H427 WeakPolarHBondContact O-CB 3.38Å; A423-H427 PolarHBondContact O-N 3.3Å; H424-H427 PolarHBondContact O-N 2.73Å; F425-H427 VanDerWaalsContact C-N 3.31Å; F425-H427 PolarHBondContact O-N 3.37Å; H427-G429 VanDerWaalsContact C-N 3.31Å; H427-G429 PolarHBondContact O-N 3.47Å; H427-I430 PolarHBondContact O-N 3.33Å; H427-I430 VanDerWaalsContact O-N 3.1Å; H427-E431 IonicContact CD2-OE2 3.7Å; H427-E431 IonicContact CE1-OE1 3.85Å; H427-E431 IonicContact NE2-OE1 3.21Å; H427-E431 PolarHBondContact NE2-OE1 3Å; H427-E431 IonicContact NE2-OE2 3.34Å; H427-E431 WeakPolarHBondContact O-CG 3.35Å; H427-E431 PolarHBondContact O-N 3.05Å
428R98.8Very high98.5Very high66 Ų6640.1 Ų40.125%0.24917%0.174CC..Hα-helixtrans-58.9-40.2175.2-73.4176.165.3-171.73112.7H424 F425 I426 I430 E431 L432 E469H424-R428 WeakPolarHBondContact O-CG 3.4Å; H424-R428 PolarHBondContact O-N 3.33Å; F425-R428 PolarHBondContact O-N 3.43Å; I426-R428 PolarHBondContact O-N 3.39Å; R428-I430 VanDerWaalsContact C-N 3.34Å; R428-I430 PolarHBondContact O-N 3.14Å; R428-E431 PolarHBondContact O-N 2.87Å; R428-L432 WeakPolarHBondContact O-CB 3.34Å; R428-L432 PolarHBondContact O-N 3.05Å; R428-E469 IonicContact CZ-OE1 3.28Å; R428-E469 IonicContact CZ-OE2 2.74Å; R428-E469 IonicContact NH1-OE1 2.94Å; R428-E469 PolarHBondContact NH1-OE1 3.47Å; R428-E469 IonicContact NH1-OE2 2.7Å; R428-E469 PolarHBondContact NH1-OE2 3.43Å; R428-E469 IonicContact NH2-OE1 2.75Å; R428-E469 PolarHBondContact NH2-OE1 3.4Å; R428-E469 IonicContact NH2-OE2 3.91Å
429G98.8Very high98.4Very high0 Ų042.3 Ų42.30%019%0.191CC..Hα-helixtrans-63.1-38.3175.100000113V377 F425 I426 H427 T433V377-G429 WeakPolarHBondContact CG1-O 3.48Å; F425-G429 PolarHBondContact O-N 2.82Å; I426-G429 PolarHBondContact O-N 3.38Å; H427-G429 VanDerWaalsContact C-N 3.31Å; H427-G429 PolarHBondContact O-N 3.47Å; G429-T433 PolarHBondContact O-N 2.96Å; G429-T433 PolarHBondContact O-OG1 3.11Å
430I98.7Very high98.2Very high0 Ų044.6 Ų44.60%020%0.203CC..Hα-helixtrans-72-38.1175.9-64163.4000111.3Y348 L364 T369 I426 H427 R428 L432 T433 L434Y348-I430 HydrophobicContact CD1-CD1 4.43Å; Y348-I430 HydrophobicContact CE1-CB 4.46Å; Y348-I430 HydrophobicContact CE1-CD1 3.56Å; Y348-I430 HydrophobicContact CE1-CG2 4.01Å; Y348-I430 HydrophobicContact CE2-CD1 4.48Å; Y348-I430 WeakPolarHBondContact OH-CB 3.46Å; Y348-I430 WeakPolarHBondContact OH-CD1 3.44Å; Y348-I430 WeakPolarHBondContact OH-CG2 3.34Å; L364-I430 HydrophobicContact CD2-CD1 3.91Å; L364-I430 HydrophobicContact CD2-CG1 4.36Å; L364-I430 HydrophobicContact CD2-CG2 4.13Å; T369-I430 HydrophobicContact CG2-CG2 4.44Å; I426-I430 HydrophobicContact CG2-CD1 3.71Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 2.97Å; H427-I430 PolarHBondContact O-N 3.33Å; H427-I430 VanDerWaalsContact O-N 3.1Å; R428-I430 VanDerWaalsContact C-N 3.34Å; R428-I430 PolarHBondContact O-N 3.14Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.29Å; I430-T433 VanDerWaalsContact O-CB 3.26Å; I430-T433 WeakPolarHBondContact O-CB 3.48Å; I430-T433 PolarHBondContact O-N 3.46Å; I430-T433 VanDerWaalsContact O-N 3.16Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 3.27Å
431E98.7Very high98Very high82 Ų8248.2 Ų48.238%0.38322%0.221SC..Hα-helixtrans-60.1-44.4172.6-70-172.9131.100111.8H427 R428 T433 L434 E435H427-E431 IonicContact CD2-OE2 3.7Å; H427-E431 IonicContact CE1-OE1 3.85Å; H427-E431 IonicContact NE2-OE1 3.21Å; H427-E431 PolarHBondContact NE2-OE1 3Å; H427-E431 IonicContact NE2-OE2 3.34Å; H427-E431 WeakPolarHBondContact O-CG 3.35Å; H427-E431 PolarHBondContact O-N 3.05Å; R428-E431 PolarHBondContact O-N 2.87Å; E431-T433 VanDerWaalsContact C-N 3.3Å; E431-T433 PolarHBondContact O-N 3.26Å; E431-L434 WeakPolarHBondContact O-CB 3.46Å; E431-L434 PolarHBondContact O-N 3.4Å; E431-E435 PolarHBondContact O-N 2.96Å
432L98.6Very high97.6Very high0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-61.3-39.5173.4175.858000111.8V377 R428 I430 L434 E435 V436 F459 R462 V463V377-L432 HydrophobicContact CG1-CB 4.06Å; V377-L432 HydrophobicContact CG1-CD2 3.7Å; V377-L432 HydrophobicContact CG1-CG 3.78Å; R428-L432 WeakPolarHBondContact O-CB 3.34Å; R428-L432 PolarHBondContact O-N 3.05Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.29Å; L432-L434 VanDerWaalsContact C-N 3.32Å; L432-L434 PolarHBondContact O-N 2.92Å; L432-E435 PolarHBondContact O-N 2.89Å; L432-V436 HydrophobicContact CD1-CG2 4.21Å; L432-V436 WeakPolarHBondContact O-CG2 3.37Å; L432-V436 PolarHBondContact O-N 2.88Å; L432-F459 HydrophobicContact CD1-CD1 4.12Å; L432-R462 HydrophobicContact CD1-CB 4.03Å; L432-R462 VanDerWaalsContact CD1-NH1 3.34Å; L432-R462 HydrophobicContact CD2-CB 4.3Å; L432-V463 HydrophobicContact CD2-CG2 3.7Å
433T98.6Very high97.2Very high0 Ų060.9 Ų60.90%028%0.283CS..Hα-helixtrans-56.7-46.4173.3-56.60000111.4R373 A374 V377 G429 I430 E431 E435 V436 Q437 F449R373-T433 HydrophobicContact CB-CG2 3.83Å; A374-T433 HydrophobicContact CB-CG2 4.18Å; V377-T433 WeakPolarHBondContact CB-OG1 3.49Å; V377-T433 HydrophobicContact CG2-CG2 4.41Å; V377-T433 WeakPolarHBondContact CG2-OG1 3.37Å; G429-T433 PolarHBondContact O-N 2.96Å; G429-T433 PolarHBondContact O-OG1 3.11Å; I430-T433 VanDerWaalsContact O-CB 3.26Å; I430-T433 WeakPolarHBondContact O-CB 3.48Å; I430-T433 PolarHBondContact O-N 3.46Å; I430-T433 VanDerWaalsContact O-N 3.16Å; E431-T433 VanDerWaalsContact C-N 3.3Å; E431-T433 PolarHBondContact O-N 3.26Å; T433-E435 VanDerWaalsContact C-N 3.34Å; T433-E435 PolarHBondContact O-N 3.41Å; T433-V436 PolarHBondContact O-N 3.43Å; T433-Q437 WeakPolarHBondContact O-CB 3.44Å; T433-Q437 PolarHBondContact O-N 3.13Å; T433-F449 HydrophobicContact CG2-CE2 4.34Å; T433-F449 HydrophobicContact CG2-CZ 3.87Å
434L98.1Very high97Very high23 Ų2361.5 Ų61.512%0.1229%0.288CS..Hα-helixtrans-65.1-37.3178.5-68.8170.3000112.1K367 T369 I430 E431 L432 Q437 R438K367-L434 VanDerWaalsContact O-CD2 3.28Å; K367-L434 WeakPolarHBondContact O-CD2 3.36Å; T369-L434 HydrophobicContact CG2-CD2 4.15Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 3.27Å; E431-L434 WeakPolarHBondContact O-CB 3.46Å; E431-L434 PolarHBondContact O-N 3.4Å; L432-L434 VanDerWaalsContact C-N 3.32Å; L432-L434 PolarHBondContact O-N 2.92Å; L434-Q437 PolarHBondContact O-N 3.29Å; L434-R438 WeakPolarHBondContact O-CB 3.49Å; L434-R438 WeakPolarHBondContact O-CG 3.43Å; L434-R438 PolarHBondContact O-N 3.43Å
435E97.4Very high96.9Very high58 Ų5860.3 Ų60.327%0.27129%0.288SS..Hα-helixtrans-64.7-46176-77.3179.4-130.300112.8E431 L432 T433 Q437 R438 S439 F459 R462E431-E435 PolarHBondContact O-N 2.96Å; L432-E435 PolarHBondContact O-N 2.89Å; T433-E435 VanDerWaalsContact C-N 3.34Å; T433-E435 PolarHBondContact O-N 3.41Å; E435-Q437 VanDerWaalsContact C-N 3.29Å; E435-Q437 PolarHBondContact O-N 2.93Å; E435-R438 PolarHBondContact O-N 3.45Å; E435-S439 PolarHBondContact O-N 2.89Å; E435-S439 VanDerWaalsContact O-N 3.15Å; E435-F459 HydrophobicContact CB-CE1 4.43Å; E435-R462 IonicContact OE1-CZ 2.99Å; E435-R462 VanDerWaalsContact OE1-CZ 3.25Å; E435-R462 IonicContact OE1-NH1 2.69Å; E435-R462 PolarHBondContact OE1-NH1 2.77Å; E435-R462 IonicContact OE1-NH2 3.5Å; E435-R462 PolarHBondContact OE1-NH2 3.12Å; E435-R462 IonicContact OE2-CZ 3.25Å; E435-R462 IonicContact OE2-NH1 3.34Å; E435-R462 PolarHBondContact OE2-NH1 2.9Å
436V97.8Very high96.7Very high0 Ų063 Ų630%030%0.303CS..Hα-helixtrans-62-41174.7179.10000110.3L432 T433 R438 S439 L440 F449 A452 L453 F459L432-V436 HydrophobicContact CD1-CG2 4.21Å; L432-V436 WeakPolarHBondContact O-CG2 3.37Å; L432-V436 PolarHBondContact O-N 2.88Å; T433-V436 PolarHBondContact O-N 3.43Å; V436-R438 PolarHBondContact O-N 3.46Å; V436-S439 PolarHBondContact O-N 3.25Å; V436-S439 PolarHBondContact O-OG 3.29Å; V436-L440 WeakPolarHBondContact O-CG 3.42Å; V436-F449 HydrophobicContact CB-CD2 4.42Å; V436-F449 HydrophobicContact CB-CE2 3.67Å; V436-F449 HydrophobicContact CB-CZ 3.96Å; V436-F449 HydrophobicContact CG1-CD2 3.78Å; V436-F449 HydrophobicContact CG1-CE1 4.5Å; V436-F449 HydrophobicContact CG1-CE2 3.48Å; V436-F449 VanDerWaalsContact CG1-CE2 3.48Å; V436-F449 HydrophobicContact CG1-CG 4.41Å; V436-F449 HydrophobicContact CG1-CZ 3.86Å; V436-A452 HydrophobicContact CG1-CB 4.29Å; V436-L453 HydrophobicContact CG1-CB 4.49Å; V436-L453 HydrophobicContact CG2-CD1 4.13Å; V436-F459 HydrophobicContact CB-CE2 4.49Å; V436-F459 HydrophobicContact CB-CZ 4.44Å; V436-F459 HydrophobicContact CG1-CE2 4.41Å; V436-F459 HydrophobicContact CG2-CB 4.25Å; V436-F459 HydrophobicContact CG2-CD1 3.65Å; V436-F459 HydrophobicContact CG2-CD2 3.94Å; V436-F459 HydrophobicContact CG2-CE1 3.89Å; V436-F459 HydrophobicContact CG2-CE2 4.16Å; V436-F459 HydrophobicContact CG2-CG 3.69Å; V436-F459 HydrophobicContact CG2-CZ 4.14Å
437Q97.4Very high96.6Very high59 Ų5971 Ų7128%0.27634%0.338SS..Hα-helixtrans-65.2-39.6179.1-169179.4-58.200111.9G368 T369 T433 L434 E435 S439 L440 F449G368-Q437 PolarHBondContact O-NE2 3.2Å; T369-Q437 PolarHBondContact OG1-OE1 2.91Å; T433-Q437 WeakPolarHBondContact O-CB 3.44Å; T433-Q437 PolarHBondContact O-N 3.13Å; L434-Q437 PolarHBondContact O-N 3.29Å; E435-Q437 VanDerWaalsContact C-N 3.29Å; E435-Q437 PolarHBondContact O-N 2.93Å; Q437-S439 VanDerWaalsContact C-N 3.31Å; Q437-S439 PolarHBondContact O-N 2.93Å; Q437-L440 PolarHBondContact O-N 2.69Å; Q437-F449 HydrophobicContact CB-CE2 4.14Å
438R97Very high96.5Very high192 Ų19273.5 Ų73.573%0.72535%0.35SS*.Hα-helixtrans-71.2-22178.5-73.5170.6-169.4159.94113.6L434 E435 V436 L440L434-R438 WeakPolarHBondContact O-CB 3.49Å; L434-R438 WeakPolarHBondContact O-CG 3.43Å; L434-R438 PolarHBondContact O-N 3.43Å; E435-R438 PolarHBondContact O-N 3.45Å; V436-R438 PolarHBondContact O-N 3.46Å; R438-L440 PolarHBondContact O-N 2.93Å
439S96.1Very high96.5Very high67 Ų6770.4 Ų70.447%0.46934%0.338SS..THydrogen-bonded Turntrans-78.8-4.317466.40000113.7E435 V436 Q437 F459E435-S439 PolarHBondContact O-N 2.89Å; E435-S439 VanDerWaalsContact O-N 3.15Å; V436-S439 PolarHBondContact O-N 3.25Å; V436-S439 PolarHBondContact O-OG 3.29Å; Q437-S439 VanDerWaalsContact C-N 3.31Å; Q437-S439 PolarHBondContact O-N 2.93Å; S439-F459 WeakPolarHBondContact OG-CE2 3.46Å; S439-F459 VanDerWaalsContact OG-CZ 3.27Å; S439-F459 WeakPolarHBondContact OG-CZ 3.33Å
440L96.4Very high96.4Very high47 Ų4773.2 Ų73.225%0.24636%0.355CS..SBendtrans-113.1160.5-177-63.7171.9000111.1V436 Q437 R438 A444 F449 A452V436-L440 WeakPolarHBondContact O-CG 3.42Å; Q437-L440 PolarHBondContact O-N 2.69Å; R438-L440 PolarHBondContact O-N 2.93Å; L440-A444 HydrophobicContact CB-CB 3.83Å; L440-A444 HydrophobicContact CD1-CB 4.25Å; L440-F449 HydrophobicContact CD1-CB 4.16Å; L440-F449 HydrophobicContact CD1-CD2 4.11Å; L440-A452 HydrophobicContact CD1-CB 4Å; L440-A452 HydrophobicContact CD2-CB 3.84Å; L440-A452 HydrophobicContact CG-CB 4.29Å
441E94.6Very high96.3Very high154 Ų15477.5 Ų77.572%0.7238%0.375SS*.  trans-58.9143.7172.2-70.7-62.9153.600111.2R443 A444E441-R443 PolarHBondContact O-N 3.45Å; E441-A444 VanDerWaalsContact O-CB 3.23Å; E441-A444 WeakPolarHBondContact O-CB 3.19Å; E441-A444 PolarHBondContact O-N 2.95Å
442P89.8Confident96.2Very high131 Ų13174.5 Ų74.585%0.85136%0.364SS*.THydrogen-bonded Turntrans-55.9-20.8-175.8-28.935.3000115.9
443R90.4Very high96.2Very high241 Ų24175 Ų7591%0.90937%0.367SS*.THydrogen-bonded Turntrans-10411.2179.3-65.8-175.4178.8176.11113.7E441 T445E441-R443 PolarHBondContact O-N 3.45Å; R443-T445 PolarHBondContact O-N 3.5Å
444A94.8Very high96Very high13 Ų1377.8 Ų77.811%0.10739%0.39CS..  trans-56.1131.6179.300000111.5R373 L440 E441 E448R373-A444 PolarHBondContact NH2-O 3.01Å; L440-A444 HydrophobicContact CB-CB 3.83Å; L440-A444 HydrophobicContact CD1-CB 4.25Å; E441-A444 VanDerWaalsContact O-CB 3.23Å; E441-A444 WeakPolarHBondContact O-CB 3.19Å; E441-A444 PolarHBondContact O-N 2.95Å; A444-E448 WeakPolarHBondContact CA-OE2 3.22Å; A444-E448 HydrophobicContact CB-CB 4.37Å
445T95.9Very high95.7Very high73 Ų7383.4 Ų83.445%0.44842%0.415SS..  trans-67.8162.5176.564.90000111.1R443 K447 E448 F449R443-T445 PolarHBondContact O-N 3.5Å; T445-K447 PolarHBondContact O-N 2.9Å; T445-E448 WeakPolarHBondContact CB-OE2 3.49Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E448 PolarHBondContact N-OE2 2.79Å; T445-E448 PolarHBondContact O-N 3.47Å; T445-E448 WeakPolarHBondContact OG1-CG 3.31Å; T445-E448 PolarHBondContact OG1-N 2.97Å; T445-E448 PolarHBondContact OG1-OE2 3.12Å; T445-F449 PolarHBondContact O-N 2.92Å
446L95.6Very high95.5Very high77 Ų7781.7 Ų81.740%0.40341%0.413SS..Hα-helixtrans-60.5-32.5172.9-178.261.6000111.8R373 F449 V450R373-L446 HydrophobicContact CG-CD1 3.79Å; L446-F449 HydrophobicContact CD1-CD1 4.42Å; L446-F449 WeakPolarHBondContact O-CB 3.44Å; L446-F449 PolarHBondContact O-N 2.68Å; L446-V450 HydrophobicContact CD1-CG2 4.37Å; L446-V450 HydrophobicContact CG-CG2 4.49Å; L446-V450 WeakPolarHBondContact O-CG2 3.31Å; L446-V450 PolarHBondContact O-N 3.39Å
447K96.8Very high95.3Very high168 Ų16889.8 Ų89.873%0.7345%0.451SS*.Hα-helixtrans-63.8-47.3177.1-176.3-177.7175.7-174.80111.3T445 F449 V450 Q451T445-K447 PolarHBondContact O-N 2.9Å; K447-F449 VanDerWaalsContact C-N 3.32Å; K447-F449 PolarHBondContact O-N 2.81Å; K447-V450 PolarHBondContact O-N 2.88Å; K447-Q451 WeakPolarHBondContact O-CB 3.4Å; K447-Q451 PolarHBondContact O-N 3.45Å
448E97.3Very high95.2Very high93 Ų9393.5 Ų93.544%0.43547%0.466SS..Hα-helixtrans-63.5-39.6176.4-71159.114200111.2A444 T445 Q451 A452A444-E448 WeakPolarHBondContact CA-OE2 3.22Å; A444-E448 HydrophobicContact CB-CB 4.37Å; T445-E448 WeakPolarHBondContact CB-OE2 3.49Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E448 PolarHBondContact N-OE2 2.79Å; T445-E448 PolarHBondContact O-N 3.47Å; T445-E448 WeakPolarHBondContact OG1-CG 3.31Å; T445-E448 PolarHBondContact OG1-N 2.97Å; T445-E448 PolarHBondContact OG1-OE2 3.12Å; E448-Q451 PolarHBondContact O-N 3.35Å; E448-A452 WeakPolarHBondContact O-CB 2.78Å; E448-A452 PolarHBondContact O-N 3.1Å
449F97.8Very high95.1Very high1 Ų185.4 Ų85.40%0.00444%0.437CS..Hα-helixtrans-58.3-49.5173.5-179.7-86.6000112.5R373 V377 T433 V436 Q437 L440 T445 L446 K447 Q451 A452 L453R373-F449 HydrophobicContact CB-CD1 4.08Å; R373-F449 HydrophobicContact CB-CD2 4.4Å; R373-F449 HydrophobicContact CB-CE1 3.77Å; R373-F449 HydrophobicContact CB-CE2 4.09Å; R373-F449 HydrophobicContact CB-CG 4.4Å; R373-F449 HydrophobicContact CB-CZ 3.79Å; R373-F449 HydrophobicContact CG-CB 4.45Å; R373-F449 HydrophobicContact CG-CD1 3.85Å; R373-F449 HydrophobicContact CG-CD2 3.96Å; R373-F449 HydrophobicContact CG-CE1 4.07Å; R373-F449 HydrophobicContact CG-CE2 4.15Å; R373-F449 HydrophobicContact CG-CG 3.81Å; R373-F449 HydrophobicContact CG-CZ 4.22Å; V377-F449 HydrophobicContact CG2-CE1 3.92Å; V377-F449 HydrophobicContact CG2-CZ 3.81Å; T433-F449 HydrophobicContact CG2-CE2 4.34Å; T433-F449 HydrophobicContact CG2-CZ 3.87Å; V436-F449 HydrophobicContact CB-CD2 4.42Å; V436-F449 HydrophobicContact CB-CE2 3.67Å; V436-F449 HydrophobicContact CB-CZ 3.96Å; V436-F449 HydrophobicContact CG1-CD2 3.78Å; V436-F449 HydrophobicContact CG1-CE1 4.5Å; V436-F449 HydrophobicContact CG1-CE2 3.48Å; V436-F449 VanDerWaalsContact CG1-CE2 3.48Å; V436-F449 HydrophobicContact CG1-CG 4.41Å; V436-F449 HydrophobicContact CG1-CZ 3.86Å; Q437-F449 HydrophobicContact CB-CE2 4.14Å; L440-F449 HydrophobicContact CD1-CB 4.16Å; L440-F449 HydrophobicContact CD1-CD2 4.11Å; T445-F449 PolarHBondContact O-N 2.92Å; L446-F449 HydrophobicContact CD1-CD1 4.42Å; L446-F449 WeakPolarHBondContact O-CB 3.44Å; L446-F449 PolarHBondContact O-N 2.68Å; K447-F449 VanDerWaalsContact C-N 3.32Å; K447-F449 PolarHBondContact O-N 2.81Å; F449-Q451 VanDerWaalsContact C-N 3.32Å; F449-Q451 PolarHBondContact O-N 3.01Å; F449-A452 PolarHBondContact O-N 3.19Å; F449-L453 WeakPolarHBondContact O-CB 3.37Å; F449-L453 PolarHBondContact O-N 3.04Å
450V97.1Very high95.2Very high58 Ų5885.6 Ų85.635%0.35243%0.43SS..Hα-helixtrans-64.1-38.6178.7170.80000111.2K376 L446 K447 L453 A454K376-V450 HydrophobicContact CB-CG2 4.5Å; K376-V450 HydrophobicContact CD-CG2 4.4Å; K376-V450 HydrophobicContact CG-CG2 4.13Å; L446-V450 HydrophobicContact CD1-CG2 4.37Å; L446-V450 HydrophobicContact CG-CG2 4.49Å; L446-V450 WeakPolarHBondContact O-CG2 3.31Å; L446-V450 PolarHBondContact O-N 3.39Å; K447-V450 PolarHBondContact O-N 2.88Å; V450-L453 PolarHBondContact O-N 3.17Å; V450-A454 WeakPolarHBondContact O-CB 3.46Å; V450-A454 PolarHBondContact O-N 2.86Å
451Q97Very high95.2Very high90 Ų9089 Ų8942%0.42145%0.445SS..Hα-helixtrans-64.2-44.4176.2-176.2176.5-1100111.7K447 E448 F449 A454 Q455K447-Q451 WeakPolarHBondContact O-CB 3.4Å; K447-Q451 PolarHBondContact O-N 3.45Å; E448-Q451 PolarHBondContact O-N 3.35Å; F449-Q451 VanDerWaalsContact C-N 3.32Å; F449-Q451 PolarHBondContact O-N 3.01Å; Q451-A454 PolarHBondContact O-N 3.13Å; Q451-Q455 HydrophobicContact CG-CG 4.3Å; Q451-Q455 WeakPolarHBondContact O-CB 3.44Å; Q451-Q455 WeakPolarHBondContact O-CG 3.31Å; Q451-Q455 PolarHBondContact O-N 3.4Å
452A96.9Very high95.4Very high20 Ų2084.2 Ų84.217%0.16542%0.42CS..Hα-helixtrans-63.1-42.1177.100000112V436 L440 E448 F449 A454 G456V436-A452 HydrophobicContact CG1-CB 4.29Å; L440-A452 HydrophobicContact CD1-CB 4Å; L440-A452 HydrophobicContact CD2-CB 3.84Å; L440-A452 HydrophobicContact CG-CB 4.29Å; E448-A452 WeakPolarHBondContact O-CB 2.78Å; E448-A452 PolarHBondContact O-N 3.1Å; F449-A452 PolarHBondContact O-N 3.19Å; A452-A454 VanDerWaalsContact C-N 3.3Å; A452-A454 PolarHBondContact O-N 3.31Å; A452-G456 PolarHBondContact O-N 3.31Å
453L97.2Very high95.8Very high10 Ų1078.3 Ų78.35%0.05238%0.382CS..Hα-helixtrans-58.2-42.9173.6-179.964.9000111.3V377 V436 F449 V450 Q460 V463V377-L453 HydrophobicContact CG2-CD1 4.15Å; V377-L453 HydrophobicContact CG2-CD2 3.93Å; V436-L453 HydrophobicContact CG1-CB 4.49Å; V436-L453 HydrophobicContact CG2-CD1 4.13Å; F449-L453 WeakPolarHBondContact O-CB 3.37Å; F449-L453 PolarHBondContact O-N 3.04Å; V450-L453 PolarHBondContact O-N 3.17Å; L453-Q460 PolarHBondContact O-NE2 3.04Å; L453-V463 HydrophobicContact CD1-CG2 3.91Å
454A94.8Very high96.1Very high59 Ų5970.1 Ų70.149%0.48836%0.361SS..Hα-helixtrans-76.2-34.5-176.800000114.3V450 Q451 A452V450-A454 WeakPolarHBondContact O-CB 3.46Å; V450-A454 PolarHBondContact O-N 2.86Å; Q451-A454 PolarHBondContact O-N 3.13Å; A452-A454 VanDerWaalsContact C-N 3.3Å; A452-A454 PolarHBondContact O-N 3.31Å
455Q92.8Very high96.3Very high140 Ų14073.8 Ų73.865%0.65438%0.376SS*.Hα-helixtrans-100.9-20.5-171.7-66.1177-8.500113.7Q451 E457Q451-Q455 HydrophobicContact CG-CG 4.3Å; Q451-Q455 WeakPolarHBondContact O-CB 3.44Å; Q451-Q455 WeakPolarHBondContact O-CG 3.31Å; Q451-Q455 PolarHBondContact O-N 3.4Å; Q455-E457 PolarHBondContact O-N 3.3Å
456G91.6Very high96.4Very high22 Ų2270.4 Ų70.423%0.22736%0.355CS..  trans-74.8107.9179.600000111.5A452 K458 F459 Q460A452-G456 PolarHBondContact O-N 3.31Å; G456-K458 VanDerWaalsContact C-N 3.28Å; G456-K458 PolarHBondContact O-N 3.45Å; G456-F459 WeakPolarHBondContact O-CA 3.02Å; G456-F459 PolarHBondContact O-N 3.36Å; G456-Q460 PolarHBondContact O-N 3.42Å
457E93.4Very high96.6Very high171 Ų17171.5 Ų71.580%0.79935%0.354SS*.Hα-helixtrans-51.8-45.6179.8-173177.3-170.800112.1Q455 F459 Q460 Q461Q455-E457 PolarHBondContact O-N 3.3Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 2.99Å; E457-Q460 PolarHBondContact O-N 2.78Å; E457-Q461 WeakPolarHBondContact O-CB 3.31Å; E457-Q461 PolarHBondContact O-N 3.44Å
458K95.4Very high96.7Very high136 Ų13666.2 Ų66.259%0.59134%0.342SS*.Hα-helixtrans-55.5-42.7174.2-178.3-173.7175.3-171.70112.6G456 R462G456-K458 VanDerWaalsContact C-N 3.28Å; G456-K458 PolarHBondContact O-N 3.45Å; K458-R462 WeakPolarHBondContact O-CG 3.25Å; K458-R462 PolarHBondContact O-N 2.88Å
459F96.5Very high96.7Very high22 Ų2265.9 Ų65.910%0.09634%0.34CS..Hα-helixtrans-75.5-40.1-178.2-58.3-47.2000111.5L432 E435 V436 S439 G456 E457 Q461 R462 V463L432-F459 HydrophobicContact CD1-CD1 4.12Å; E435-F459 HydrophobicContact CB-CE1 4.43Å; V436-F459 HydrophobicContact CB-CE2 4.49Å; V436-F459 HydrophobicContact CB-CZ 4.44Å; V436-F459 HydrophobicContact CG1-CE2 4.41Å; V436-F459 HydrophobicContact CG2-CB 4.25Å; V436-F459 HydrophobicContact CG2-CD1 3.65Å; V436-F459 HydrophobicContact CG2-CD2 3.94Å; V436-F459 HydrophobicContact CG2-CE1 3.89Å; V436-F459 HydrophobicContact CG2-CE2 4.16Å; V436-F459 HydrophobicContact CG2-CG 3.69Å; V436-F459 HydrophobicContact CG2-CZ 4.14Å; S439-F459 WeakPolarHBondContact OG-CE2 3.46Å; S439-F459 VanDerWaalsContact OG-CZ 3.27Å; S439-F459 WeakPolarHBondContact OG-CZ 3.33Å; G456-F459 WeakPolarHBondContact O-CA 3.02Å; G456-F459 PolarHBondContact O-N 3.36Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 2.99Å; F459-Q461 VanDerWaalsContact C-N 3.3Å; F459-Q461 PolarHBondContact O-N 3.07Å; F459-R462 PolarHBondContact O-N 3.49Å; F459-V463 WeakPolarHBondContact O-CG2 3.34Å; F459-V463 PolarHBondContact O-N 3.21Å
460Q97.5Very high96.8Very high72 Ų7265.9 Ų65.934%0.33634%0.34SS..Hα-helixtrans-61.7-37.9174.6-75.8-63.1-55.800112.3L453 G456 E457 V463 S464L453-Q460 PolarHBondContact O-NE2 3.04Å; G456-Q460 PolarHBondContact O-N 3.42Å; E457-Q460 PolarHBondContact O-N 2.78Å; Q460-V463 PolarHBondContact O-N 2.9Å; Q460-S464 WeakPolarHBondContact O-CB 3.5Å; Q460-S464 PolarHBondContact O-N 2.98Å; Q460-S464 PolarHBondContact O-OG 2.96Å
461Q97.3Very high96.9Very high117 Ų11765.5 Ų65.555%0.54733%0.334SS..Hα-helixtrans-61.5-49.7173.5-175.6177.8-0.600111.1E457 F459 V463 S464 E465E457-Q461 WeakPolarHBondContact O-CB 3.31Å; E457-Q461 PolarHBondContact O-N 3.44Å; F459-Q461 VanDerWaalsContact C-N 3.3Å; F459-Q461 PolarHBondContact O-N 3.07Å; Q461-V463 PolarHBondContact O-N 3.21Å; Q461-S464 WeakPolarHBondContact O-CB 3.21Å; Q461-S464 PolarHBondContact O-N 3.02Å; Q461-S464 VanDerWaalsContact O-N 3.15Å; Q461-E465 PolarHBondContact NE2-OE1 3.21Å; Q461-E465 WeakPolarHBondContact O-CG 3.3Å; Q461-E465 PolarHBondContact O-N 3.17Å
462R97.1Very high96.9Very high55 Ų5564.2 Ų64.221%0.20834%0.34CS..Hα-helixtrans-63.3-40.1177.8-69.3-168.373-145.54.4113.3L432 E435 K458 F459 S464 E465 V466L432-R462 HydrophobicContact CD1-CB 4.03Å; L432-R462 VanDerWaalsContact CD1-NH1 3.34Å; L432-R462 HydrophobicContact CD2-CB 4.3Å; E435-R462 IonicContact OE1-CZ 2.99Å; E435-R462 VanDerWaalsContact OE1-CZ 3.25Å; E435-R462 IonicContact OE1-NH1 2.69Å; E435-R462 PolarHBondContact OE1-NH1 2.77Å; E435-R462 IonicContact OE1-NH2 3.5Å; E435-R462 PolarHBondContact OE1-NH2 3.12Å; E435-R462 IonicContact OE2-CZ 3.25Å; E435-R462 IonicContact OE2-NH1 3.34Å; E435-R462 PolarHBondContact OE2-NH1 2.9Å; K458-R462 WeakPolarHBondContact O-CG 3.25Å; K458-R462 PolarHBondContact O-N 2.88Å; F459-R462 PolarHBondContact O-N 3.49Å; R462-S464 VanDerWaalsContact C-N 3.31Å; R462-E465 PolarHBondContact O-N 2.75Å; R462-V466 WeakPolarHBondContact O-CG2 3.45Å; R462-V466 PolarHBondContact O-N 3.07Å
463V98.3Very high97Very high7 Ų764 Ų644%0.04234%0.335CS..Hα-helixtrans-57.7-48.2172.5167.90000109.7A380 L432 L453 F459 Q460 Q461 E465 V466 R467A380-V463 HydrophobicContact CB-CG1 3.78Å; A380-V463 HydrophobicContact CB-CG2 4.4Å; A380-V463 WeakPolarHBondContact O-CG1 3.32Å; L432-V463 HydrophobicContact CD2-CG2 3.7Å; L453-V463 HydrophobicContact CD1-CG2 3.91Å; F459-V463 WeakPolarHBondContact O-CG2 3.34Å; F459-V463 PolarHBondContact O-N 3.21Å; Q460-V463 PolarHBondContact O-N 2.9Å; Q461-V463 PolarHBondContact O-N 3.21Å; V463-E465 VanDerWaalsContact C-N 3.34Å; V463-E465 PolarHBondContact O-N 2.8Å; V463-V466 PolarHBondContact O-N 3.13Å; V463-R467 WeakPolarHBondContact O-CB 3.47Å; V463-R467 PolarHBondContact O-N 3.32Å
464S98.1Very high97.1Very high68 Ų6863.5 Ų63.548%0.47633%0.332SS..Hα-helixtrans-62.7-40.1-178.4-58.80000112.3Q460 Q461 R462 A468Q460-S464 WeakPolarHBondContact O-CB 3.5Å; Q460-S464 PolarHBondContact O-N 2.98Å; Q460-S464 PolarHBondContact O-OG 2.96Å; Q461-S464 WeakPolarHBondContact O-CB 3.21Å; Q461-S464 PolarHBondContact O-N 3.02Å; Q461-S464 VanDerWaalsContact O-N 3.15Å; R462-S464 VanDerWaalsContact C-N 3.31Å; S464-A468 VanDerWaalsContact O-CB 3.3Å; S464-A468 WeakPolarHBondContact O-CB 3.41Å; S464-A468 PolarHBondContact O-N 2.93Å
465E98Very high97.3Very high90 Ų9062.3 Ų62.342%0.42133%0.326SS..Hα-helixtrans-61.5-53.8175.2-71.6166.6-17400111.5Q461 R462 V463 R467 A468 E469Q461-E465 PolarHBondContact NE2-OE1 3.21Å; Q461-E465 WeakPolarHBondContact O-CG 3.3Å; Q461-E465 PolarHBondContact O-N 3.17Å; R462-E465 PolarHBondContact O-N 2.75Å; V463-E465 VanDerWaalsContact C-N 3.34Å; V463-E465 PolarHBondContact O-N 2.8Å; E465-R467 VanDerWaalsContact C-N 3.32Å; E465-R467 PolarHBondContact O-N 3.1Å; E465-A468 PolarHBondContact O-N 3.22Å; E465-E469 PolarHBondContact O-N 3.42Å
466V98.4Very high97.5Very high2 Ų262.4 Ų62.41%0.01233%0.327CS..Hα-helixtrans-61.9-43.4179.1178.40000110.5C381 R462 V463 A468 E469 V470C381-V466 HydrophobicContact CB-CB 4.42Å; C381-V466 HydrophobicContact CB-CG1 3.9Å; R462-V466 WeakPolarHBondContact O-CG2 3.45Å; R462-V466 PolarHBondContact O-N 3.07Å; V463-V466 PolarHBondContact O-N 3.13Å; V466-A468 PolarHBondContact O-N 2.89Å; V466-E469 PolarHBondContact O-N 3.29Å; V466-V470 HydrophobicContact CG1-CG2 4.21Å; V466-V470 WeakPolarHBondContact O-CB 3.22Å; V466-V470 VanDerWaalsContact O-CG2 3.28Å; V466-V470 WeakPolarHBondContact O-CG2 3.22Å; V466-V470 PolarHBondContact O-N 3.17Å
467R98.8Very high97.9Very high101 Ų10162.8 Ų62.838%0.38132%0.322SS..Hα-helixtrans-60.3-46.4179.2-175.4-179.8179.9127.14.8111.6A380 A382 V463 E465 E469 V470 E471A380-R467 WeakPolarHBondContact O-CD 3.34Å; A380-R467 PolarHBondContact O-NH1 2.84Å; A382-R467 HydrophobicContact CB-CG 4.16Å; V463-R467 WeakPolarHBondContact O-CB 3.47Å; V463-R467 PolarHBondContact O-N 3.32Å; E465-R467 VanDerWaalsContact C-N 3.32Å; E465-R467 PolarHBondContact O-N 3.1Å; R467-E469 VanDerWaalsContact C-N 3.3Å; R467-E469 PolarHBondContact O-N 3.05Å; R467-V470 PolarHBondContact O-N 3.27Å; R467-E471 HydrophobicContact CG-CG 4.15Å; R467-E471 IonicContact CZ-OE1 3.09Å; R467-E471 VanDerWaalsContact CZ-OE1 3.28Å; R467-E471 IonicContact NE-OE1 3.37Å; R467-E471 PolarHBondContact NE-OE1 3.29Å; R467-E471 IonicContact NH2-OE1 2.93Å; R467-E471 PolarHBondContact NH2-OE1 2.85Å; R467-E471 WeakPolarHBondContact O-CB 3.25Å; R467-E471 WeakPolarHBondContact O-CG 3.47Å; R467-E471 PolarHBondContact O-N 3.3Å
468A98.7Very high98.1Very high57 Ų5759 Ų5947%0.47131%0.312SS..Hα-helixtrans-61.1-41179.900000111.6S464 E465 V466 A472S464-A468 VanDerWaalsContact O-CB 3.3Å; S464-A468 WeakPolarHBondContact O-CB 3.41Å; S464-A468 PolarHBondContact O-N 2.93Å; E465-A468 PolarHBondContact O-N 3.22Å; V466-A468 PolarHBondContact O-N 2.89Å; A468-A472 WeakPolarHBondContact O-CB 3.43Å; A468-A472 PolarHBondContact O-N 3.38Å
469E98.8Very high98.1Very high86 Ų8654.5 Ų54.540%0.40229%0.294SS..Hα-helixtrans-66.9-41.2175.4-67178.2-122.400112.5F425 R428 E465 V466 R467 F473F425-E469 HydrophobicContact CE1-CB 3.88Å; F425-E469 HydrophobicContact CZ-CB 4.34Å; R428-E469 IonicContact CZ-OE1 3.28Å; R428-E469 IonicContact CZ-OE2 2.74Å; R428-E469 IonicContact NH1-OE1 2.94Å; R428-E469 PolarHBondContact NH1-OE1 3.47Å; R428-E469 IonicContact NH1-OE2 2.7Å; R428-E469 PolarHBondContact NH1-OE2 3.43Å; R428-E469 IonicContact NH2-OE1 2.75Å; R428-E469 PolarHBondContact NH2-OE1 3.4Å; R428-E469 IonicContact NH2-OE2 3.91Å; E465-E469 PolarHBondContact O-N 3.42Å; V466-E469 PolarHBondContact O-N 3.29Å; R467-E469 VanDerWaalsContact C-N 3.3Å; R467-E469 PolarHBondContact O-N 3.05Å; E469-F473 VanDerWaalsContact O-CB 3.31Å; E469-F473 WeakPolarHBondContact O-CB 3.42Å; E469-F473 PolarHBondContact O-N 2.89Å
470V98.8Very high98.2Very high0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-62.7-48.8176166.80000111L50 C381 A382 I383 F425 V466 R467 F473 A474L50-V470 HydrophobicContact CB-CG1 4.5Å; L50-V470 HydrophobicContact CD1-CG1 3.79Å; L50-V470 HydrophobicContact CD1-CG2 4.41Å; L50-V470 HydrophobicContact CG-CG1 3.84Å; C381-V470 WeakPolarHBondContact O-CG1 3.46Å; A382-V470 HydrophobicContact CB-CG1 4.12Å; I383-V470 HydrophobicContact CD1-CG2 4.09Å; I383-V470 HydrophobicContact CG1-CG1 4.13Å; I383-V470 HydrophobicContact CG1-CG2 4.14Å; F425-V470 HydrophobicContact CB-CG2 4.07Å; F425-V470 HydrophobicContact CD1-CG2 3.69Å; F425-V470 HydrophobicContact CD2-CG2 4.16Å; F425-V470 HydrophobicContact CE1-CG2 4.11Å; F425-V470 HydrophobicContact CG-CG2 3.73Å; V466-V470 HydrophobicContact CG1-CG2 4.21Å; V466-V470 WeakPolarHBondContact O-CB 3.22Å; V466-V470 VanDerWaalsContact O-CG2 3.28Å; V466-V470 WeakPolarHBondContact O-CG2 3.22Å; V466-V470 PolarHBondContact O-N 3.17Å; R467-V470 PolarHBondContact O-N 3.27Å; V470-F473 PolarHBondContact O-N 3.25Å; V470-A474 WeakPolarHBondContact O-CB 3.47Å; V470-A474 PolarHBondContact O-N 3.3Å
471E98.8Very high98.2Very high50 Ų5052.9 Ų52.923%0.23430%0.295CS..Hα-helixtrans-65.3-40.9-179.7-71-177.4170.500111.2Y48 A382 R467 F473 G475Y48-E471 WeakPolarHBondContact O-CA 3.33Å; Y48-E471 WeakPolarHBondContact O-CG 3.44Å; A382-E471 HydrophobicContact CB-CG 4.02Å; R467-E471 HydrophobicContact CG-CG 4.15Å; R467-E471 IonicContact CZ-OE1 3.09Å; R467-E471 VanDerWaalsContact CZ-OE1 3.28Å; R467-E471 IonicContact NE-OE1 3.37Å; R467-E471 PolarHBondContact NE-OE1 3.29Å; R467-E471 IonicContact NH2-OE1 2.93Å; R467-E471 PolarHBondContact NH2-OE1 2.85Å; R467-E471 WeakPolarHBondContact O-CB 3.25Å; R467-E471 WeakPolarHBondContact O-CG 3.47Å; R467-E471 PolarHBondContact O-N 3.3Å; E471-F473 VanDerWaalsContact C-N 3.33Å; E471-F473 PolarHBondContact O-N 2.85Å; E471-G475 PolarHBondContact O-N 3.12Å
472A98.8Very high98Very high64 Ų6450.2 Ų50.253%0.52929%0.285SS..Hα-helixtrans-64.7-35.6174.400000112.7A468 Q476A468-A472 WeakPolarHBondContact O-CB 3.43Å; A468-A472 PolarHBondContact O-N 3.38Å; A472-Q476 WeakPolarHBondContact O-CG 3.49Å; A472-Q476 PolarHBondContact O-NE2 2.95Å
473F98.8Very high97.5Very high14 Ų1452 Ų526%0.06130%0.304CS..Hα-helixtrans-71.2-51.2175177.7-112.9000111.6L50 M414 D418 K421 V422 F425 E469 V470 E471 G475 Q476 F477L50-F473 HydrophobicContact CD2-CD1 4.21Å; L50-F473 HydrophobicContact CD2-CE1 4.36Å; M414-F473 HydrophobicContact CE-CE1 4.17Å; M414-F473 HydrophobicContact SD-CE1 4.5Å; D418-F473 HydrophobicContact CB-CZ 3.89Å; K421-F473 HydrophobicContact CB-CZ 4.19Å; K421-F473 HydrophobicContact CD-CD2 4.34Å; K421-F473 HydrophobicContact CD-CE2 3.61Å; K421-F473 HydrophobicContact CD-CZ 3.93Å; V422-F473 HydrophobicContact CG2-CE1 3.99Å; F425-F473 HydrophobicContact CD2-CD1 4.38Å; F425-F473 HydrophobicContact CE2-CB 3.97Å; F425-F473 AromaticContact CE2-CD1 3.69Å; F425-F473 HydrophobicContact CE2-CD1 3.69Å; F425-F473 HydrophobicContact CE2-CE1 4.39Å; F425-F473 AromaticContact CE2-CG 3.88Å; F425-F473 HydrophobicContact CE2-CG 3.88Å; F425-F473 HydrophobicContact CZ-CB 4.16Å; F425-F473 HydrophobicContact CZ-CG 4.47Å; E469-F473 VanDerWaalsContact O-CB 3.31Å; E469-F473 WeakPolarHBondContact O-CB 3.42Å; E469-F473 PolarHBondContact O-N 2.89Å; V470-F473 PolarHBondContact O-N 3.25Å; E471-F473 VanDerWaalsContact C-N 3.33Å; E471-F473 PolarHBondContact O-N 2.85Å; F473-G475 VanDerWaalsContact C-N 3.3Å; F473-G475 PolarHBondContact O-N 3.2Å; F473-Q476 WeakPolarHBondContact O-CB 3.43Å; F473-Q476 PolarHBondContact O-N 3.07Å; F473-F477 HydrophobicContact CD2-CE2 4.27Å; F473-F477 HydrophobicContact CE1-CE2 4.16Å; F473-F477 AromaticContact CE2-CE2 3.83Å; F473-F477 HydrophobicContact CE2-CE2 3.83Å; F473-F477 HydrophobicContact CE2-CZ 4.09Å; F473-F477 AromaticContact CZ-CE2 3.79Å; F473-F477 HydrophobicContact CZ-CE2 3.79Å; F473-F477 AromaticContact CZ-CZ 3.97Å; F473-F477 HydrophobicContact CZ-CZ 3.97Å; F473-F477 WeakPolarHBondContact O-CD2 3.37Å; F473-F477 WeakPolarHBondContact O-CE2 3.39Å
474A98.6Very high96.4Very high0 Ų059.9 Ų59.90%034%0.34CS..Hα-helixtrans-62.6-35.9-179.800000112.4Y48 L50 R412 V470 Q476 F477Y48-A474 WeakPolarHBondContact O-CB 3.48Å; L50-A474 HydrophobicContact CD2-CB 4.11Å; L50-A474 HydrophobicContact CG-CB 4.45Å; R412-A474 PolarHBondContact NH2-O 3.28Å; V470-A474 WeakPolarHBondContact O-CB 3.47Å; V470-A474 PolarHBondContact O-N 3.3Å; A474-Q476 PolarHBondContact O-N 2.98Å; A474-Q476 VanDerWaalsContact O-N 3.13Å; A474-F477 PolarHBondContact O-N 3.2Å
475G98.1Very high94.5Very high35 Ų3559.7 Ų59.736%0.36133%0.333SS..THydrogen-bonded Turntrans-63.9-13.3178.900000115.1E471 F473 F477E471-G475 PolarHBondContact O-N 3.12Å; F473-G475 VanDerWaalsContact C-N 3.3Å; F473-G475 PolarHBondContact O-N 3.2Å; G475-F477 VanDerWaalsContact C-N 3.29Å
476Q98.4Very high94.3Very high142 Ų14258.2 Ų58.266%0.66433%0.329SS*.THydrogen-bonded Turntrans-76.2-17.5176.4-65.3167.337.600112.9A472 F473 A474A472-Q476 WeakPolarHBondContact O-CG 3.49Å; A472-Q476 PolarHBondContact O-NE2 2.95Å; F473-Q476 WeakPolarHBondContact O-CB 3.43Å; F473-Q476 PolarHBondContact O-N 3.07Å; A474-Q476 PolarHBondContact O-N 2.98Å; A474-Q476 VanDerWaalsContact O-N 3.13Å
477F98.6Very high94.1Very high29 Ų2961.1 Ų61.113%0.12735%0.345CS..SBendtrans-100.6143-173.2-63-90000111.8R412 M414 D418 F473 A474 G475R412-F477 HydrophobicContact CB-CB 4.09Å; R412-F477 PolarHBondContact NH2-O 2.84Å; M414-F477 HydrophobicContact CB-CE1 4.28Å; M414-F477 HydrophobicContact CE-CD1 4.4Å; M414-F477 HydrophobicContact CE-CD2 3.4Å; M414-F477 VanDerWaalsContact CE-CD2 3.4Å; M414-F477 HydrophobicContact CE-CE2 3.59Å; M414-F477 HydrophobicContact CE-CG 3.85Å; M414-F477 HydrophobicContact CE-CZ 4.18Å; M414-F477 HydrophobicContact CG-CD1 3.66Å; M414-F477 HydrophobicContact CG-CD2 4.27Å; M414-F477 HydrophobicContact CG-CE1 3.48Å; M414-F477 VanDerWaalsContact CG-CE1 3.48Å; M414-F477 HydrophobicContact CG-CE2 4.13Å; M414-F477 HydrophobicContact CG-CG 4.06Å; M414-F477 HydrophobicContact CG-CZ 3.74Å; D418-F477 HydrophobicContact CB-CZ 4.28Å; F473-F477 HydrophobicContact CD2-CE2 4.27Å; F473-F477 HydrophobicContact CE1-CE2 4.16Å; F473-F477 AromaticContact CE2-CE2 3.83Å; F473-F477 HydrophobicContact CE2-CE2 3.83Å; F473-F477 HydrophobicContact CE2-CZ 4.09Å; F473-F477 AromaticContact CZ-CE2 3.79Å; F473-F477 HydrophobicContact CZ-CE2 3.79Å; F473-F477 AromaticContact CZ-CZ 3.97Å; F473-F477 HydrophobicContact CZ-CZ 3.97Å; F473-F477 WeakPolarHBondContact O-CD2 3.37Å; F473-F477 WeakPolarHBondContact O-CE2 3.39Å; A474-F477 PolarHBondContact O-N 3.2Å; G475-F477 VanDerWaalsContact C-N 3.29Å
478P97.6Very high93.9Very high91 Ų9158.9 Ų58.959%0.59134%0.343SS*.  trans-59.3153.2175.826.4-36.2000111.9R412R412-P478 WeakPolarHBondContact CB-O 3.37Å; R412-P478 WeakPolarHBondContact CG-O 3.41Å; R412-P478 PolarHBondContact NE-O 3.48Å; R412-P478 WeakPolarHBondContact O-CD 3.38Å; R412-P478 WeakPolarHBondContact O-CG 3.4Å
479M97Very high93.6Very high43 Ų4359 Ų5921%0.21234%0.336CS..  trans-112106.5175-179.759.8-169.600109.1Q46 F58Q46-M479 HydrophobicContact CB-CE 3.53Å; Q46-M479 HydrophobicContact CB-SD 4.17Å; Q46-M479 HydrophobicContact CG-CE 4.33Å; F58-M479 HydrophobicContact CD1-CE 3.4Å; F58-M479 VanDerWaalsContact CD1-CE 3.4Å; F58-M479 HydrophobicContact CD1-SD 4.05Å; F58-M479 HydrophobicContact CE1-CE 3.44Å; F58-M479 VanDerWaalsContact CE1-CE 3.44Å; F58-M479 HydrophobicContact CE1-SD 3.91Å; F58-M479 HydrophobicContact CE2-SD 4.49Å; F58-M479 HydrophobicContact CG-CE 4.19Å; F58-M479 HydrophobicContact CG-SD 4.4Å; F58-M479 HydrophobicContact CZ-CE 4.23Å; F58-M479 HydrophobicContact CZ-SD 4.11Å
480P97.8Very high93.3Very high37 Ų3757.3 Ų57.324%0.2433%0.332CS..  trans-61.8140176.9-21.332.3000111.7F58 S411F58-P480 HydrophobicContact CB-CB 3.89Å; F58-P480 HydrophobicContact CB-CG 3.98Å; S411-P480 WeakPolarHBondContact O-CG 3.4Å
481G96.9Very high92.9Very high22 Ų2261.1 Ų61.123%0.22735%0.354CS..SBendtrans146-158178.800000112.4R61R61-G481 WeakPolarHBondContact CB-O 2.86Å
482L94.9Very high92.5Very high61 Ų6161.9 Ų61.932%0.31936%0.363SS..  trans-72.6150.1172.7-65.9164.7000110.2K43 R61 E65 E484 L485K43-L482 PolarHBondContact NZ-O 3.15Å; R61-L482 HydrophobicContact CG-CD2 4Å; E65-L482 HydrophobicContact CG-CD2 4.03Å; L482-E484 WeakPolarHBondContact CB-O 3.44Å; L482-L485 WeakPolarHBondContact CB-O 3.49Å
483P85.8Confident92Very high94 Ų9461.8 Ų61.861%0.6135%0.35SS*.SBendtrans-65.2-47176.1-21.433.1000112.3K43K43-P483 PolarHBondContact NZ-O 2.98Å
484E76.1Confident91.4Very high171 Ų17165.8 Ų65.880%0.79937%0.374SS*.  trans-111.2141.9170.2-66.6-170.6-179.200109.7L482L482-E484 WeakPolarHBondContact CB-O 3.44Å
485L57.3Low90.8Very high64 Ų6471.7 Ų71.734%0.33541%0.408SS..  trans60.70-162.6-73.8164.4000115.1L28 F36 I39 K40 K43 L482L28-L485 HydrophobicContact CD2-CD1 4.37Å; F36-L485 HydrophobicContact CD2-CD1 3.78Å; F36-L485 HydrophobicContact CD2-CD2 3.58Å; F36-L485 HydrophobicContact CD2-CG 3.98Å; F36-L485 HydrophobicContact CE2-CD1 3.59Å; F36-L485 HydrophobicContact CE2-CD2 3.63Å; F36-L485 HydrophobicContact CE2-CG 3.61Å; F36-L485 HydrophobicContact CG-CD2 4.39Å; I39-L485 HydrophobicContact CB-CD2 3.82Å; I39-L485 HydrophobicContact CD1-CD2 4.48Å; I39-L485 HydrophobicContact CG2-CB 4.42Å; I39-L485 HydrophobicContact CG2-CD2 3.51Å; K40-L485 HydrophobicContact CG-CD2 4.36Å; K43-L485 WeakPolarHBondContact CD-OXT 3.41Å; K43-L485 PolarHBondContact NZ-O 3.04Å; L482-L485 WeakPolarHBondContact CB-O 3.49Å

Retrieved 485 of 485 residues in 175 ms (Link to these results)

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