A0A077Z440_TRITR Loading...

N(6)-L-threonylcarbamoyladenine synthase

AlphaFold DB , UniProt , Accession A0A077Z440, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 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
1M84.2Confident96.9Very high188 Ų18821.8 Ų21.893%0.92612%0.118SC*.  0107.50-68.8-163.9-166.800106.4D21M1-D21 VanDerWaalsContact CA-CG 3.46Å; M1-D21 WeakPolarHBondContact CA-OD1 3.2Å; M1-D21 WeakPolarHBondContact CA-OD2 3.42Å; M1-D21 WeakPolarHBondContact CB-OD2 3.29Å; M1-D21 WeakPolarHBondContact CG-OD2 3.05Å
2T96.8Very high96.7Very high21 Ų2121.3 Ų21.313%0.12911%0.114CC..  trans-103.1130.7-176.8-660000109.5R20 D21 D72 M303 Y306 E307T2-R20 WeakPolarHBondContact O-CA 3.22Å; T2-D21 PolarHBondContact N-OD1 2.81Å; T2-D21 PolarHBondContact O-N 3.5Å; T2-D72 WeakPolarHBondContact CA-OD2 3.44Å; T2-D72 HydrophobicContact CG2-CB 4.06Å; T2-M303 HydrophobicContact CG2-CG 3.73Å; T2-Y306 HydrophobicContact CG2-CD1 3.73Å; T2-Y306 HydrophobicContact CG2-CE1 4.08Å; T2-E307 WeakPolarHBondContact CB-OE1 3.3Å; T2-E307 HydrophobicContact CG2-CG 4.44Å
3V98.6Very high96.7Very high4 Ų422.8 Ų22.82%0.02412%0.12CC..EExtended strand (participates in β ladder)trans-108.7118.7175.4-176.40000109.5I18 V19 R20 I66 Q70 D72 V73V3-I18 HydrophobicContact CG1-CG2 3.91Å; V3-V19 WeakPolarHBondContact CA-O 3.48Å; V3-R20 HydrophobicContact CG2-CB 4.15Å; V3-R20 HydrophobicContact CG2-CG 3.96Å; V3-R20 VanDerWaalsContact CG2-NE 3.32Å; V3-I66 HydrophobicContact CG1-CD1 4.45Å; V3-I66 HydrophobicContact CG1-CG1 4.39Å; V3-I66 HydrophobicContact CG1-CG2 3.99Å; V3-Q70 WeakPolarHBondContact CB-O 3.36Å; V3-D72 PolarHBondContact N-OD2 2.79Å; V3-D72 PolarHBondContact O-N 2.87Å; V3-V73 PolarHBondContact O-N 3.44Å
4A98.8Very high96.8Very high0 Ų021.2 Ų21.20%011%0.111CC..EExtended strand (participates in β ladder)trans-113137.7176.500000110.6I18 V19 V73 A299 M303A4-I18 WeakPolarHBondContact O-CA 3.43Å; A4-V19 PolarHBondContact N-O 3.43Å; A4-V19 PolarHBondContact O-N 2.86Å; A4-V73 HydrophobicContact CB-CG1 3.66Å; A4-A299 HydrophobicContact CB-CB 4.3Å; A4-A299 WeakPolarHBondContact CB-O 3.5Å; A4-M303 HydrophobicContact CB-CB 3.79Å; A4-M303 HydrophobicContact CB-CG 4.39Å
5I98.9Very high96.9Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-103.8132.8164.5-172.3169.8000108.8L7 V16 G17 I18 V57 V71 V73 V74 C75 W100I5-L7 HydrophobicContact CG1-CD1 4.41Å; I5-V16 HydrophobicContact CD1-CG1 3.83Å; I5-V16 HydrophobicContact CG1-CG1 3.8Å; I5-G17 CarbonylContact C-O 3.6Å; I5-G17 WeakPolarHBondContact CA-O 3.3Å; I5-I18 HydrophobicContact CB-CG1 4.16Å; I5-I18 HydrophobicContact CD1-CD1 4.3Å; I5-I18 HydrophobicContact CD1-CG1 4.27Å; I5-I18 HydrophobicContact CG1-CD1 4.46Å; I5-I18 HydrophobicContact CG1-CG1 3.9Å; I5-V57 HydrophobicContact CD1-CG1 4.42Å; I5-V71 HydrophobicContact CB-CG1 4.39Å; I5-V71 HydrophobicContact CG2-CG1 3.78Å; I5-V73 PolarHBondContact N-O 2.9Å; I5-V73 VanDerWaalsContact N-O 3.14Å; I5-V74 HydrophobicContact CG2-CB 4.11Å; I5-V74 HydrophobicContact CG2-CG1 4.06Å; I5-V74 HydrophobicContact CG2-CG2 3.85Å; I5-C75 WeakPolarHBondContact O-CA 3.46Å; I5-C75 WeakPolarHBondContact O-CB 3.46Å; I5-C75 PolarHBondContact O-N 3.09Å; I5-W100 HydrophobicContact CD1-CH2 4.18Å; I5-W100 HydrophobicContact CD1-CZ3 4.32Å; I5-W100 HydrophobicContact CG2-CZ3 4.17Å
6G98.9Very high97.1Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-122.7131.1-176.400000111.7V16 G17 C75 G295G6-V16 CarbonylContact O-C 3.5Å; G6-V16 VanDerWaalsContact O-CA 3.3Å; G6-V16 WeakPolarHBondContact O-CA 3.41Å; G6-G17 PolarHBondContact N-O 3.17Å; G6-G17 PolarHBondContact O-N 2.66Å; G6-C75 CarbonylContact C-O 3.56Å; G6-C75 WeakPolarHBondContact CA-O 3.28Å; G6-G295 CarbonylContact C-O 3.56Å; G6-G295 WeakPolarHBondContact O-CA 3.5Å
7L98.9Very high97.2Very high1 Ų117.5 Ų17.51%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-114.3121.5178.3-60.882.6000111.1I5 V16 I53 V57 V74 C75 Y76 T77 V89 V92 A93 L96I5-L7 HydrophobicContact CG1-CD1 4.41Å; L7-V16 HydrophobicContact CG-CG1 4.49Å; L7-V16 HydrophobicContact CG-CG2 4.26Å; L7-I53 HydrophobicContact CD2-CD1 4.26Å; L7-V57 HydrophobicContact CD2-CG2 4.38Å; L7-V74 HydrophobicContact CD1-CG1 4.07Å; L7-C75 WeakPolarHBondContact CD1-O 3.4Å; L7-C75 PolarHBondContact N-O 3.24Å; L7-Y76 WeakPolarHBondContact O-CA 3.3Å; L7-T77 PolarHBondContact O-N 3.39Å; L7-T77 PolarHBondContact O-OG1 3.1Å; L7-V89 HydrophobicContact CB-CG1 3.47Å; L7-V89 VanDerWaalsContact CB-CG1 3.47Å; L7-V89 HydrophobicContact CD2-CG1 4.44Å; L7-V92 HydrophobicContact CD2-CB 4.24Å; L7-V92 HydrophobicContact CD2-CG1 3.78Å; L7-A93 HydrophobicContact CD1-CB 4.19Å; L7-A93 HydrophobicContact CD2-CB 4.33Å; L7-L96 HydrophobicContact CD1-CD1 4.4Å; L7-L96 HydrophobicContact CD2-CD1 4.18Å
8E98.9Very high97.2Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-114139.9177.5173.554.5-115.800110.4S10 V14 G15 T77 H109 D293 N294 M297 I298E8-S10 VanDerWaalsContact OE1-CB 3.22Å; E8-S10 WeakPolarHBondContact OE1-CB 3.4Å; E8-S10 PolarHBondContact OE1-N 3.03Å; E8-S10 PolarHBondContact OE1-OG 3.2Å; E8-V14 VanDerWaalsContact O-CA 3.3Å; E8-V14 WeakPolarHBondContact O-CA 3.07Å; E8-G15 PolarHBondContact N-O 3.3Å; E8-G15 PolarHBondContact O-N 3.22Å; E8-T77 PolarHBondContact OE2-OG1 3.47Å; E8-H109 IonicContact OE1-CE1 3.99Å; E8-H109 IonicContact OE1-ND1 3.47Å; E8-H109 IonicContact OE2-CE1 3.19Å; E8-H109 PolarHBondContact OE2-CE1 3.3Å; E8-H109 IonicContact OE2-CG 2.87Å; E8-H109 IonicContact OE2-ND1 3.91Å; E8-H109 PolarHBondContact OE2-ND1 2.87Å; E8-D293 HydrophobicContact CG-CB 3.9Å; E8-N294 VanDerWaalsContact CB-O 3.31Å; E8-N294 WeakPolarHBondContact CB-O 3Å; E8-M297 HydrophobicContact CG-CE 3.93Å; E8-M297 WeakPolarHBondContact OE2-CE 3.35Å; E8-I298 HydrophobicContact CB-CG1 3.9Å
9G98.3Very high97.3Very high0 Ų015.6 Ų15.60%08%0.082CC..  trans177.444.217600000112.6K13 P85G9-K13 WeakPolarHBondContact CA-O 3.04Å; G9-P85 CarbonylContact O-C 3.28Å; G9-P85 VanDerWaalsContact O-C 3.28Å; G9-P85 WeakPolarHBondContact O-CB 3.35Å
10S98Very high97.4Very high5 Ų518.8 Ų18.84%0.0359%0.093CC..SBendtrans-76.7-27.8176.760.40000113E8 P80 M82 H109E8-S10 VanDerWaalsContact OE1-CB 3.22Å; E8-S10 WeakPolarHBondContact OE1-CB 3.4Å; E8-S10 PolarHBondContact OE1-N 3.03Å; E8-S10 PolarHBondContact OE1-OG 3.2Å; S10-P80 WeakPolarHBondContact CB-O 3.34Å; S10-M82 PolarHBondContact O-N 2.86Å; S10-H109 PolarHBondContact OG-CE1 3.28Å; S10-H109 PolarHBondContact OG-ND1 3.12Å
11A95.5Very high97.2Very high21 Ų2121.2 Ų21.217%0.17411%0.106CC..SBendtrans-122.3-142.6-175.600000111.4T45 H49 M82A11-T45 WeakPolarHBondContact O-CG2 3.4Å; A11-H49 PolarHBondContact O-NE2 2.82Å; A11-H49 VanDerWaalsContact O-NE2 3.09Å; A11-M82 WeakPolarHBondContact O-CE 3.32Å
12N95Very high97.5Very high15 Ų1513.2 Ų13.28%0.087%0.072CC..SBendtrans-87.6-2.9179.175.4-52.1000114.5H32 F40 T45N12-H32 HydrophobicContact CB-CB 4.34Å; N12-H32 PolarHBondContact ND2-O 3.31Å; N12-H32 WeakPolarHBondContact O-CB 3.48Å; N12-H32 PolarHBondContact O-N 3.38Å; N12-F40 HydrophobicContact CB-CB 4.15Å; N12-F40 HydrophobicContact CB-CD1 3.54Å; N12-F40 HydrophobicContact CB-CD2 3.78Å; N12-F40 HydrophobicContact CB-CE1 3.77Å; N12-F40 HydrophobicContact CB-CE2 4.01Å; N12-F40 HydrophobicContact CB-CG 3.55Å; N12-F40 HydrophobicContact CB-CZ 4Å; N12-T45 HydrophobicContact CB-CG2 4.45Å
13K96.1Very high97.5Very high42 Ų4216.5 Ų16.518%0.1839%0.091CC..EExtended strand (participates in β ladder)trans-102142174-69.272166.7-1710108.4G9 R29 R30 T31 I292 D293G9-K13 WeakPolarHBondContact CA-O 3.04Å; K13-R29 HydrophobicContact CB-CG 4.46Å; K13-R30 WeakPolarHBondContact CA-O 3.44Å; K13-T31 HydrophobicContact CD-CG2 4.35Å; K13-T31 HydrophobicContact CG-CG2 4.35Å; K13-I292 HydrophobicContact CD-CG2 4.19Å; K13-I292 HydrophobicContact CG-CG2 3.81Å; K13-D293 HydrophobicContact CB-CB 4.22Å
14V98.5Very high97.5Very high0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-124.1133.7167.9540000108.3E8 R29 R30 H49 V52 I53 L56E8-V14 VanDerWaalsContact O-CA 3.3Å; E8-V14 WeakPolarHBondContact O-CA 3.07Å; V14-R29 WeakPolarHBondContact O-CA 3.42Å; V14-R30 HydrophobicContact CG1-CB 4.31Å; V14-R30 PolarHBondContact N-O 2.89Å; V14-R30 PolarHBondContact O-N 3.43Å; V14-H49 HydrophobicContact CB-CB 4.44Å; V14-H49 WeakPolarHBondContact CB-ND1 3.44Å; V14-H49 WeakPolarHBondContact CG1-ND1 3.45Å; V14-H49 HydrophobicContact CG2-CB 4.49Å; V14-V52 HydrophobicContact CG1-CG2 3.54Å; V14-I53 HydrophobicContact CG2-CB 4.34Å; V14-I53 HydrophobicContact CG2-CD1 4.22Å; V14-I53 HydrophobicContact CG2-CG1 4.19Å; V14-L56 HydrophobicContact CB-CD1 4.35Å; V14-L56 HydrophobicContact CG1-CD1 3.82Å; V14-L56 HydrophobicContact CG2-CD1 3.96Å
15G98.7Very high97.5Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-147.1148.9-177.700000111.6E8 P28E8-G15 PolarHBondContact N-O 3.3Å; E8-G15 PolarHBondContact O-N 3.22Å; G15-P28 WeakPolarHBondContact CA-O 3.26Å
16V98.9Very high97.5Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-124.5132.4172-176.30000106.7I5 G6 L7 N27 P28 L56 V57 A60I5-V16 HydrophobicContact CD1-CG1 3.83Å; I5-V16 HydrophobicContact CG1-CG1 3.8Å; G6-V16 CarbonylContact O-C 3.5Å; G6-V16 VanDerWaalsContact O-CA 3.3Å; G6-V16 WeakPolarHBondContact O-CA 3.41Å; L7-V16 HydrophobicContact CG-CG1 4.49Å; L7-V16 HydrophobicContact CG-CG2 4.26Å; V16-N27 CarbonylContact O-C 3.07Å; V16-P28 PolarHBondContact N-O 2.8Å; V16-P28 VanDerWaalsContact N-O 3.12Å; V16-P28 WeakPolarHBondContact O-CD 3.28Å; V16-L56 HydrophobicContact CB-CB 4.3Å; V16-L56 HydrophobicContact CG2-CB 3.74Å; V16-V57 HydrophobicContact CG1-CG2 4.28Å; V16-V57 HydrophobicContact CG2-CG2 3.92Å; V16-A60 HydrophobicContact CB-CB 4.01Å; V16-A60 HydrophobicContact CG1-CB 3.66Å
17G98.8Very high97.4Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-135.9149.7179.200000111.3I5 G6 S26I5-G17 CarbonylContact C-O 3.6Å; I5-G17 WeakPolarHBondContact CA-O 3.3Å; G6-G17 PolarHBondContact N-O 3.17Å; G6-G17 PolarHBondContact O-N 2.66Å; G17-S26 CarbonylContact C-O 3.51Å; G17-S26 WeakPolarHBondContact CA-O 3.35Å
18I98.9Very high97.4Very high0 Ų023.2 Ų23.20%013%0.129CC..EExtended strand (participates in β ladder)trans-121128.4177-63.3177000108.5V3 A4 I5 L25 S26 A60 L61 S64 I66V3-I18 HydrophobicContact CG1-CG2 3.91Å; A4-I18 WeakPolarHBondContact O-CA 3.43Å; I5-I18 HydrophobicContact CB-CG1 4.16Å; I5-I18 HydrophobicContact CD1-CD1 4.3Å; I5-I18 HydrophobicContact CD1-CG1 4.27Å; I5-I18 HydrophobicContact CG1-CD1 4.46Å; I5-I18 HydrophobicContact CG1-CG1 3.9Å; I18-L25 HydrophobicContact CG2-CB 4.42Å; I18-L25 HydrophobicContact CG2-CD1 4.33Å; I18-L25 PolarHBondContact O-N 3.22Å; I18-S26 WeakPolarHBondContact CB-OG 3.45Å; I18-S26 PolarHBondContact N-O 2.82Å; I18-S26 PolarHBondContact N-OG 3Å; I18-S26 PolarHBondContact O-N 3.09Å; I18-A60 HydrophobicContact CD1-CB 4.24Å; I18-A60 HydrophobicContact CG1-CB 4.38Å; I18-L61 HydrophobicContact CD1-CD2 3.82Å; I18-L61 HydrophobicContact CD1-CG 4.28Å; I18-S64 WeakPolarHBondContact CD1-OG 3.37Å; I18-I66 HydrophobicContact CG2-CG1 4.02Å
19V98.7Very high97.4Very high0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-123.7137.6179.3175.30000108.7V3 A4 V23 V24 A296 A299 H300 M303V3-V19 WeakPolarHBondContact CA-O 3.48Å; A4-V19 PolarHBondContact N-O 3.43Å; A4-V19 PolarHBondContact O-N 2.86Å; V19-V23 CarbonylContact C-O 3.6Å; V19-V23 VanDerWaalsContact CA-O 3.31Å; V19-V23 WeakPolarHBondContact CA-O 3.25Å; V19-V24 HydrophobicContact CG2-CG2 4.16Å; V19-A296 HydrophobicContact CG2-CB 4.27Å; V19-A299 HydrophobicContact CB-CB 4.03Å; V19-A299 HydrophobicContact CG2-CB 3.76Å; V19-H300 HydrophobicContact CG1-CB 4.41Å; V19-H300 HydrophobicContact CG2-CB 4.31Å; V19-M303 HydrophobicContact CG1-CE 4.35Å; V19-M303 HydrophobicContact CG1-SD 4.02Å
20R98.2Very high97.3Very high79 Ų7930.8 Ų30.830%0.29816%0.158SC..EExtended strand (participates in β ladder)trans-126.6116.4171.8176.3-176.3-76.3165.7-9.9109T2 V3 G22 V23 L25 I66T2-R20 WeakPolarHBondContact O-CA 3.22Å; V3-R20 HydrophobicContact CG2-CB 4.15Å; V3-R20 HydrophobicContact CG2-CG 3.96Å; V3-R20 VanDerWaalsContact CG2-NE 3.32Å; R20-G22 PolarHBondContact O-N 3.29Å; R20-G22 VanDerWaalsContact O-N 3.16Å; R20-V23 PolarHBondContact N-O 3.25Å; R20-V23 WeakPolarHBondContact O-CB 3.47Å; R20-V23 PolarHBondContact O-N 3.46Å; R20-L25 HydrophobicContact CB-CD1 3.72Å; R20-L25 HydrophobicContact CB-CG 4.17Å; R20-I66 VanDerWaalsContact CZ-CD1 3.46Å
21D93.3Very high97.2Very high69 Ų6933.2 Ų33.237%0.36917%0.173SC..THydrogen-bonded Turntrans49.242.8176.5-55.4-54.1000113.7M1 T2 V23M1-D21 VanDerWaalsContact CA-CG 3.46Å; M1-D21 WeakPolarHBondContact CA-OD1 3.2Å; M1-D21 WeakPolarHBondContact CA-OD2 3.42Å; M1-D21 WeakPolarHBondContact CB-OD2 3.29Å; M1-D21 WeakPolarHBondContact CG-OD2 3.05Å; T2-D21 PolarHBondContact N-OD1 2.81Å; T2-D21 PolarHBondContact O-N 3.5Å; D21-V23 VanDerWaalsContact C-N 3.28Å; D21-V23 PolarHBondContact O-N 2.86Å
22G91.1Very high97.2Very high20 Ų2033.9 Ų33.921%0.20617%0.172CC..THydrogen-bonded Turntrans81.7-1.5-179.700000114.7R20 L119R20-G22 PolarHBondContact O-N 3.29Å; R20-G22 VanDerWaalsContact O-N 3.16Å; G22-L119 WeakPolarHBondContact O-CD2 3.42Å
23V97.3Very high97.1Very high90 Ų9036.3 Ų36.355%0.54519%0.188SC..EExtended strand (participates in β ladder)trans-95.8124.5173.8-1750000109.9V19 R20 D21 L25V19-V23 CarbonylContact C-O 3.6Å; V19-V23 VanDerWaalsContact CA-O 3.31Å; V19-V23 WeakPolarHBondContact CA-O 3.25Å; R20-V23 PolarHBondContact N-O 3.25Å; R20-V23 WeakPolarHBondContact O-CB 3.47Å; R20-V23 PolarHBondContact O-N 3.46Å; D21-V23 VanDerWaalsContact C-N 3.28Å; D21-V23 PolarHBondContact O-N 2.86Å; V23-L25 HydrophobicContact CG1-CD2 4.12Å; V23-L25 PolarHBondContact O-N 3.18Å
24V98Very high96.7Very high40 Ų4034.8 Ų34.824%0.24218%0.182CC..EExtended strand (participates in β ladder)trans-76.5114.4174.6-1770000109.2V19 N27 M116 Y290 A296V19-V24 HydrophobicContact CG2-CG2 4.16Å; V24-N27 HydrophobicContact CG1-CB 4.13Å; V24-M116 HydrophobicContact CG2-CE 4.3Å; V24-Y290 HydrophobicContact CG2-CE1 4.09Å; V24-A296 HydrophobicContact CG1-CB 3.84Å; V24-A296 HydrophobicContact CG2-CB 4.2Å
25L98.3Very high96.1Very high52 Ų5238.2 Ų38.227%0.27221%0.205SC..EExtended strand (participates in β ladder)trans-92.3-32.5179.7-56.6-175000112.4I18 R20 V23 I66I18-L25 HydrophobicContact CG2-CB 4.42Å; I18-L25 HydrophobicContact CG2-CD1 4.33Å; I18-L25 PolarHBondContact O-N 3.22Å; R20-L25 HydrophobicContact CB-CD1 3.72Å; R20-L25 HydrophobicContact CB-CG 4.17Å; V23-L25 HydrophobicContact CG1-CD2 4.12Å; V23-L25 PolarHBondContact O-N 3.18Å; L25-I66 HydrophobicContact CD1-CD1 3.83Å; L25-I66 HydrophobicContact CD1-CG1 3.85Å
26S98.5Very high95Very high6 Ų642.7 Ų42.74%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-153153.6173.965.10000111.1G17 I18 A60G17-S26 CarbonylContact C-O 3.51Å; G17-S26 WeakPolarHBondContact CA-O 3.35Å; I18-S26 WeakPolarHBondContact CB-OG 3.45Å; I18-S26 PolarHBondContact N-O 2.82Å; I18-S26 PolarHBondContact N-OG 3Å; I18-S26 PolarHBondContact O-N 3.09Å; S26-A60 VanDerWaalsContact CB-O 3.25Å; S26-A60 WeakPolarHBondContact CB-O 3.48Å; S26-A60 WeakPolarHBondContact OG-CA 3.4Å; S26-A60 PolarHBondContact OG-O 3.16Å
27N98.4Very high94.2Very high36 Ų3644.5 Ų44.519%0.19325%0.253CS..  trans-156.147.1178.5-159.422.4000113.8V16 V24 G295 A296V16-N27 CarbonylContact O-C 3.07Å; V24-N27 HydrophobicContact CG1-CB 4.13Å; N27-G295 PolarHBondContact OD1-N 3.06Å; N27-A296 HydrophobicContact CB-CB 4.15Å; N27-A296 VanDerWaalsContact CG-CB 3.48Å; N27-A296 WeakPolarHBondContact OD1-CB 3.26Å; N27-A296 PolarHBondContact OD1-N 2.88Å
28P98.5Very high93.5Very high12 Ų1248.9 Ų48.98%0.07827%0.273CS..  trans-62.6144.2177.429.4-38.4000112.4G15 V16 L56 E59 A60G15-P28 WeakPolarHBondContact CA-O 3.26Å; V16-P28 PolarHBondContact N-O 2.8Å; V16-P28 VanDerWaalsContact N-O 3.12Å; V16-P28 WeakPolarHBondContact O-CD 3.28Å; P28-L56 HydrophobicContact CB-CD2 3.73Å; P28-L56 HydrophobicContact CG-CD2 4.23Å; P28-E59 HydrophobicContact CB-CB 4.23Å; P28-E59 HydrophobicContact CG-CB 4.09Å; P28-A60 HydrophobicContact CG-CB 3.79Å
29R98.1Very high92.9Very high69 Ų6950 Ų5026%0.2628%0.284SS..EExtended strand (participates in β ladder)trans-147.7146.8-174.5178.9174.967.3-146.5-0.1111.7K13 V14 E288 R289 I292 D293K13-R29 HydrophobicContact CB-CG 4.46Å; V14-R29 WeakPolarHBondContact O-CA 3.42Å; R29-E288 PolarHBondContact NH2-O 3.22Å; R29-R289 PolarHBondContact NH1-O 2.92Å; R29-I292 PolarHBondContact NH1-O 3.15Å; R29-D293 WeakPolarHBondContact CD-O 3.41Å
30R97.6Very high92.4Very high90 Ų9053.1 Ų53.134%0.3430%0.298SS..EExtended strand (participates in β ladder)trans-127.8148.2168.8-58.4-62.1172.1848.6111.1K13 V14 V52 L56 E59K13-R30 WeakPolarHBondContact CA-O 3.44Å; V14-R30 HydrophobicContact CG1-CB 4.31Å; V14-R30 PolarHBondContact N-O 2.89Å; V14-R30 PolarHBondContact O-N 3.43Å; R30-V52 HydrophobicContact CB-CG2 4.26Å; R30-V52 HydrophobicContact CG-CG2 4.33Å; R30-L56 HydrophobicContact CG-CD1 4.27Å; R30-L56 HydrophobicContact CG-CD2 4.16Å; R30-L56 HydrophobicContact CG-CG 4.43Å; R30-E59 IonicContact NH2-OE1 2.71Å; R30-E59 PolarHBondContact NH2-OE1 3.02Å; R30-E59 IonicContact NH2-OE2 3.84Å; R30-E59 PolarHBondContact NH2-OE2 3.17Å
31T95.9Very high92.2Very high56 Ų5656.2 Ų56.234%0.34431%0.31SS..EExtended strand (participates in β ladder)trans-114.6128.7179.6-57.30000109.9K13 V33K13-T31 HydrophobicContact CD-CG2 4.35Å; K13-T31 HydrophobicContact CG-CG2 4.35Å; T31-V33 HydrophobicContact CG2-CG2 4.12Å; T31-V33 PolarHBondContact O-N 3.4Å
32H95.3Very high92.2Very high36 Ų3656 Ų5617%0.16731%0.313CS..  trans-79112.3165.6178.853.6000109.4N12 H48N12-H32 HydrophobicContact CB-CB 4.34Å; N12-H32 PolarHBondContact ND2-O 3.31Å; N12-H32 WeakPolarHBondContact O-CB 3.48Å; N12-H32 PolarHBondContact O-N 3.38Å; H32-H48 HydrophobicContact CB-CB 4.12Å
33V92Very high92.5Very high66 Ų6664.9 Ų64.940%0.434%0.34SS..PPolyproline II helixtrans-99.3117.9177.7-175.20000108.8T31 N172 D173T31-V33 HydrophobicContact CG2-CG2 4.12Å; T31-V33 PolarHBondContact O-N 3.4Å; V33-N172 HydrophobicContact CG1-CB 4.21Å; V33-D173 HydrophobicContact CG1-CB 4.34Å
34A88.5Confident92.4Very high9 Ų964.3 Ų64.37%0.07433%0.331CS..PPolyproline II helixtrans-82.2153.9174.300000110.7N172A34-N172 PolarHBondContact O-ND2 3.28Å
35P84.9Confident92.4Very high73 Ų7362.4 Ų62.447%0.47432%0.32SS..PPolyproline II helixtrans-53.5149.4174.8-24.934.5000112.6G37 E38 N172P35-G37 PolarHBondContact O-N 3.15Å; P35-E38 WeakPolarHBondContact O-CB 3.31Å; P35-E38 PolarHBondContact O-N 3.19Å; P35-N172 PolarHBondContact O-ND2 3.18Å
36P77.2Confident92.4Very high93 Ų9360 Ų6060%0.60431%0.307SS*.THydrogen-bonded Turntrans-52.4140.2175.3-25.834.5000112.3E38P36-E38 PolarHBondContact O-N 3.47Å
37G81Confident92.4Very high39 Ų3962.9 Ų62.940%0.40232%0.324SS..THydrogen-bonded Turntrans82.5-12.5-175.300000114.6P35 R166P35-G37 PolarHBondContact O-N 3.15Å; G37-R166 VanDerWaalsContact O-CD 3.28Å; G37-R166 WeakPolarHBondContact O-CD 3.46Å
38E84.7Confident92.4Very high91 Ų9162.9 Ų62.943%0.42532%0.323SS..  trans-107.4157.2178.8-60.7-170.9-156.900112.6P35 P36 N172P35-E38 WeakPolarHBondContact O-CB 3.31Å; P35-E38 PolarHBondContact O-N 3.19Å; P36-E38 PolarHBondContact O-N 3.47Å; E38-N172 PolarHBondContact O-ND2 3.16Å
39G84.9Confident92.4Very high23 Ų2362.3 Ų62.324%0.23732%0.32CS..  trans-104.7152.2167.400000111.1R41G39-R41 PolarHBondContact O-N 3Å
40F89Confident92.4Very high67 Ų6765.5 Ų65.529%0.29433%0.332SS..  trans-64.7133.1173.652-96.4000111N12 M82N12-F40 HydrophobicContact CB-CB 4.15Å; N12-F40 HydrophobicContact CB-CD1 3.54Å; N12-F40 HydrophobicContact CB-CD2 3.78Å; N12-F40 HydrophobicContact CB-CE1 3.77Å; N12-F40 HydrophobicContact CB-CE2 4.01Å; N12-F40 HydrophobicContact CB-CG 3.55Å; N12-F40 HydrophobicContact CB-CZ 4Å; F40-M82 HydrophobicContact CD2-CE 3.55Å; F40-M82 HydrophobicContact CD2-SD 4.05Å; F40-M82 HydrophobicContact CE2-CE 3.47Å; F40-M82 VanDerWaalsContact CE2-CE 3.47Å; F40-M82 HydrophobicContact CE2-SD 4.03Å
41R93Very high92.5Very high144 Ų14466.4 Ų66.454%0.54335%0.347SS..  trans-98.6150.3178.3-58.2177.6177.8175.3-0.1110.8G39 R43 E44 T45G39-R41 PolarHBondContact O-N 3Å; R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 3.02Å; R41-E44 WeakPolarHBondContact CB-OE2 3.35Å; R41-E44 WeakPolarHBondContact CD-OE1 3.32Å; R41-E44 PolarHBondContact O-N 3.08Å; R41-T45 WeakPolarHBondContact O-CB 3.43Å; R41-T45 PolarHBondContact O-N 2.88Å; R41-T45 PolarHBondContact O-OG1 3.49Å
42P95Very high92.6Very high65 Ų6564.5 Ų64.542%0.42234%0.335SS..Hα-helixtrans-55.7-39.3-177.6-27.934.3000114A46 M82P42-A46 WeakPolarHBondContact O-CB 3.36Å; P42-A46 PolarHBondContact O-N 2.79Å; P42-M82 HydrophobicContact CB-SD 4.25Å; P42-M82 HydrophobicContact CG-SD 3.93Å
43R95.8Very high92.7Very high205 Ų20563 Ų6377%0.77433%0.328SS*.Hα-helixtrans-66.9-51-178.6-177.1-179.6176.5178.4-1.1112.1R41 T45 A46 V47R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 3.02Å; R43-T45 VanDerWaalsContact C-N 3.35Å; R43-A46 PolarHBondContact O-N 2.63Å; R43-V47 WeakPolarHBondContact O-CG2 3.46Å; R43-V47 PolarHBondContact O-N 2.79Å
44E96.4Very high93.1Very high79 Ų7964.8 Ų64.837%0.36934%0.335SS..Hα-helixtrans-64.7-41.5-179.9-70.7142.2-155.200111R41 A46 V47 H48R41-E44 WeakPolarHBondContact CB-OE2 3.35Å; R41-E44 WeakPolarHBondContact CD-OE1 3.32Å; R41-E44 PolarHBondContact O-N 3.08Å; E44-A46 VanDerWaalsContact C-N 3.34Å; E44-A46 PolarHBondContact O-N 3.4Å; E44-V47 WeakPolarHBondContact O-CB 3.33Å; E44-V47 PolarHBondContact O-N 3.44Å; E44-V47 VanDerWaalsContact O-N 3.11Å; E44-H48 PolarHBondContact O-N 2.87Å
45T97.5Very high93.5Very high0 Ų068.7 Ų68.70%035%0.352CS..Hα-helixtrans-60.8-43.2176-54.20000111.7A11 N12 R41 R43 V47 H48 H49 M82 P85A11-T45 WeakPolarHBondContact O-CG2 3.4Å; N12-T45 HydrophobicContact CB-CG2 4.45Å; R41-T45 WeakPolarHBondContact O-CB 3.43Å; R41-T45 PolarHBondContact O-N 2.88Å; R41-T45 PolarHBondContact O-OG1 3.49Å; R43-T45 VanDerWaalsContact C-N 3.35Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.14Å; T45-H48 WeakPolarHBondContact O-CB 3.45Å; T45-H48 PolarHBondContact O-N 2.95Å; T45-H49 PolarHBondContact O-N 3.38Å; T45-H49 PolarHBondContact O-ND1 3.29Å; T45-M82 HydrophobicContact CG2-CE 3.91Å; T45-P85 HydrophobicContact CG2-CB 4.39Å; T45-P85 HydrophobicContact CG2-CG 3.77Å
46A98.1Very high94.2Very high1 Ų165.2 Ų65.21%0.00833%0.329CS..Hα-helixtrans-66.2-33.617600000112.6P42 R43 E44 R50 A84 P85P42-A46 WeakPolarHBondContact O-CB 3.36Å; P42-A46 PolarHBondContact O-N 2.79Å; R43-A46 PolarHBondContact O-N 2.63Å; E44-A46 VanDerWaalsContact C-N 3.34Å; E44-A46 PolarHBondContact O-N 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.44Å; A46-R50 PolarHBondContact O-N 2.93Å; A46-R50 PolarHBondContact O-NH1 3.03Å; A46-A84 HydrophobicContact CB-CB 3.76Å; A46-P85 HydrophobicContact CB-CG 4.32Å
47V98.4Very high95.2Very high67 Ų6761.1 Ų61.141%0.40630%0.303SS..Hα-helixtrans-61.1-51.5171.4173.20000109.6R43 E44 T45 H49 R50 T51R43-V47 WeakPolarHBondContact O-CG2 3.46Å; R43-V47 PolarHBondContact O-N 2.79Å; E44-V47 WeakPolarHBondContact O-CB 3.33Å; E44-V47 PolarHBondContact O-N 3.44Å; E44-V47 VanDerWaalsContact O-N 3.11Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.14Å; V47-H49 VanDerWaalsContact C-N 3.34Å; V47-H49 PolarHBondContact O-N 2.98Å; V47-R50 PolarHBondContact O-N 3.48Å; V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 VanDerWaalsContact O-N 3.1Å; V47-T51 PolarHBondContact O-OG1 2.53Å; V47-T51 VanDerWaalsContact O-OG1 3.1Å
48H98.4Very high96.1Very high36 Ų3665.7 Ų65.717%0.16731%0.314CS..Hα-helixtrans-54.5-49177.3165.9-98.3000111.8H32 E44 T45 R50 T51 V52H32-H48 HydrophobicContact CB-CB 4.12Å; E44-H48 PolarHBondContact O-N 2.87Å; T45-H48 WeakPolarHBondContact O-CB 3.45Å; T45-H48 PolarHBondContact O-N 2.95Å; H48-R50 PolarHBondContact O-N 3.47Å; H48-T51 WeakPolarHBondContact O-CB 3.31Å; H48-T51 PolarHBondContact O-N 3.1Å; H48-T51 VanDerWaalsContact O-N 3.13Å; H48-V52 PolarHBondContact O-N 3.44Å
49H98.6Very high96.7Very high0 Ų063.2 Ų63.20%030%0.302CS..Hα-helixtrans-60.2-44.2179.3-65.2-2.3000112.1A11 V14 T45 V47 T51 V52 I53 T88A11-H49 PolarHBondContact O-NE2 2.82Å; A11-H49 VanDerWaalsContact O-NE2 3.09Å; V14-H49 HydrophobicContact CB-CB 4.44Å; V14-H49 WeakPolarHBondContact CB-ND1 3.44Å; V14-H49 WeakPolarHBondContact CG1-ND1 3.45Å; V14-H49 HydrophobicContact CG2-CB 4.49Å; T45-H49 PolarHBondContact O-N 3.38Å; T45-H49 PolarHBondContact O-ND1 3.29Å; V47-H49 VanDerWaalsContact C-N 3.34Å; V47-H49 PolarHBondContact O-N 2.98Å; H49-T51 PolarHBondContact O-N 3.36Å; H49-V52 PolarHBondContact O-N 2.86Å; H49-I53 WeakPolarHBondContact O-CB 3.11Å; H49-I53 VanDerWaalsContact O-CG2 3.25Å; H49-I53 WeakPolarHBondContact O-CG2 3.31Å; H49-I53 PolarHBondContact O-N 3.5Å; H49-T88 HydrophobicContact CB-CG2 3.96Å
50R98.6Very high97.4Very high136 Ų13662.1 Ų62.151%0.51329%0.291SS..Hα-helixtrans-59.2-34.9176.3-77.4-169.5-60.7-81.32.7112.9A46 V47 H48 T88A46-R50 WeakPolarHBondContact O-CG 3.44Å; A46-R50 PolarHBondContact O-N 2.93Å; A46-R50 PolarHBondContact O-NH1 3.03Å; V47-R50 PolarHBondContact O-N 3.48Å; H48-R50 PolarHBondContact O-N 3.47Å; R50-T88 HydrophobicContact CB-CG2 4.35Å; R50-T88 HydrophobicContact CG-CG2 3.42Å; R50-T88 VanDerWaalsContact CG-CG2 3.42Å
51T98.4Very high97.9Very high108 Ų10860.2 Ų60.266%0.66328%0.283SS*.Hα-helixtrans-70-33.1-178.5-58.50000112.8V47 H48 H49V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 VanDerWaalsContact O-N 3.1Å; V47-T51 PolarHBondContact O-OG1 2.53Å; V47-T51 VanDerWaalsContact O-OG1 3.1Å; H48-T51 WeakPolarHBondContact O-CB 3.31Å; H48-T51 PolarHBondContact O-N 3.1Å; H48-T51 VanDerWaalsContact O-N 3.13Å; H49-T51 PolarHBondContact O-N 3.36Å
52V98.6Very high98.1Very high16 Ų1661 Ų6110%0.09729%0.293CS..Hα-helixtrans-115.8-15.1-168.6-54.70000114.9V14 R30 H48 H49 L54 Q55 L56V14-V52 HydrophobicContact CG1-CG2 3.54Å; R30-V52 HydrophobicContact CB-CG2 4.26Å; R30-V52 HydrophobicContact CG-CG2 4.33Å; H48-V52 PolarHBondContact O-N 3.44Å; H49-V52 PolarHBondContact O-N 2.86Å; V52-L54 PolarHBondContact O-N 3.22Å; V52-Q55 WeakPolarHBondContact O-CB 2.95Å; V52-Q55 PolarHBondContact O-N 3.4Å; V52-L56 HydrophobicContact CG2-CD1 4.12Å; V52-L56 PolarHBondContact O-N 2.87Å
53I98.8Very high98.3Very high4 Ų463.3 Ų63.32%0.02130%0.299CS..Hα-helixtrans-64.6-36.1-169.7-168.8165.8000114.1L7 V14 H49 L56 V57 V89 V92L7-I53 HydrophobicContact CD2-CD1 4.26Å; V14-I53 HydrophobicContact CG2-CB 4.34Å; V14-I53 HydrophobicContact CG2-CD1 4.22Å; V14-I53 HydrophobicContact CG2-CG1 4.19Å; H49-I53 WeakPolarHBondContact O-CB 3.11Å; H49-I53 VanDerWaalsContact O-CG2 3.25Å; H49-I53 WeakPolarHBondContact O-CG2 3.31Å; H49-I53 PolarHBondContact O-N 3.5Å; I53-L56 PolarHBondContact O-N 3.16Å; I53-V57 WeakPolarHBondContact O-CG2 3.49Å; I53-V57 PolarHBondContact O-N 2.81Å; I53-V57 VanDerWaalsContact O-N 3.07Å; I53-V89 HydrophobicContact CD1-CB 4.24Å; I53-V89 HydrophobicContact CD1-CG1 4.31Å; I53-V89 HydrophobicContact CD1-CG2 3.87Å; I53-V92 HydrophobicContact CD1-CB 4.07Å; I53-V92 HydrophobicContact CD1-CG1 4.32Å; I53-V92 HydrophobicContact CD1-CG2 4.02Å; I53-V92 HydrophobicContact CG1-CG1 4.35Å; I53-V92 HydrophobicContact CG1-CG2 4.44Å; I53-V92 HydrophobicContact CG2-CG2 3.82Å
54L98.6Very high98.4Very high104 Ų10454.5 Ų54.555%0.54527%0.268SS..Hα-helixtrans-69.8-41.6177.8-61.6-176.9000111.3V52 L56 V57 E58 V92V52-L54 PolarHBondContact O-N 3.22Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 PolarHBondContact O-N 2.9Å; L54-V57 WeakPolarHBondContact O-CB 3.37Å; L54-V57 PolarHBondContact O-N 2.74Å; L54-V57 VanDerWaalsContact O-N 3.08Å; L54-E58 PolarHBondContact O-N 2.86Å; L54-V92 HydrophobicContact CD2-CG1 4.07Å; L54-V92 HydrophobicContact CD2-CG2 4.42Å
55Q98.6Very high98.5Very high91 Ų9153.6 Ų53.643%0.42528%0.28SS..Hα-helixtrans-58.6-40.9172.5-177.8-178.2-2.500111V52 V57 E58 E59V52-Q55 WeakPolarHBondContact O-CB 2.95Å; V52-Q55 PolarHBondContact O-N 3.4Å; Q55-V57 VanDerWaalsContact C-N 3.32Å; Q55-V57 PolarHBondContact O-N 2.86Å; Q55-E58 PolarHBondContact O-N 2.86Å; Q55-E59 HydrophobicContact CG-CG 4.35Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q55-E59 PolarHBondContact NE2-OE1 3.37Å; Q55-E59 WeakPolarHBondContact O-CB 3.39Å; Q55-E59 VanDerWaalsContact O-CG 3.29Å; Q55-E59 WeakPolarHBondContact O-CG 3.42Å; Q55-E59 PolarHBondContact O-N 3.37Å
56L98.8Very high98.5Very high0 Ų053.8 Ų53.80%028%0.281CS..Hα-helixtrans-64.7-33.9175.5-76171.8000113.2V14 V16 P28 R30 V52 I53 L54 A60V14-L56 HydrophobicContact CB-CD1 4.35Å; V14-L56 HydrophobicContact CG1-CD1 3.82Å; V14-L56 HydrophobicContact CG2-CD1 3.96Å; V16-L56 HydrophobicContact CB-CB 4.3Å; V16-L56 HydrophobicContact CG2-CB 3.74Å; P28-L56 HydrophobicContact CB-CD2 3.73Å; P28-L56 HydrophobicContact CG-CD2 4.23Å; R30-L56 HydrophobicContact CG-CD1 4.27Å; R30-L56 HydrophobicContact CG-CD2 4.16Å; R30-L56 HydrophobicContact CG-CG 4.43Å; V52-L56 HydrophobicContact CG2-CD1 4.12Å; V52-L56 PolarHBondContact O-N 2.87Å; I53-L56 PolarHBondContact O-N 3.16Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 PolarHBondContact O-N 2.9Å; L56-A60 VanDerWaalsContact O-CB 3.23Å; L56-A60 WeakPolarHBondContact O-CB 3.49Å; L56-A60 PolarHBondContact O-N 2.9Å
57V98.8Very high98.5Very high8 Ų859.5 Ų59.55%0.04831%0.308CS..Hα-helixtrans-66.1-46.2174.2172.60000110.5I5 L7 V16 I53 L54 Q55 A60 L61 V92 L96 W100I5-V57 HydrophobicContact CD1-CG1 4.42Å; L7-V57 HydrophobicContact CD2-CG2 4.38Å; V16-V57 HydrophobicContact CG1-CG2 4.28Å; V16-V57 HydrophobicContact CG2-CG2 3.92Å; I53-V57 WeakPolarHBondContact O-CG2 3.49Å; I53-V57 PolarHBondContact O-N 2.81Å; I53-V57 VanDerWaalsContact O-N 3.07Å; L54-V57 WeakPolarHBondContact O-CB 3.37Å; L54-V57 PolarHBondContact O-N 2.74Å; L54-V57 VanDerWaalsContact O-N 3.08Å; Q55-V57 VanDerWaalsContact C-N 3.32Å; Q55-V57 PolarHBondContact O-N 2.86Å; V57-A60 PolarHBondContact O-N 3.35Å; V57-L61 HydrophobicContact CG1-CD1 4.04Å; V57-L61 WeakPolarHBondContact O-CG 3.17Å; V57-L61 PolarHBondContact O-N 3.38Å; V57-V92 HydrophobicContact CG2-CG1 4.47Å; V57-L96 HydrophobicContact CG1-CD1 4.2Å; V57-L96 HydrophobicContact CG1-CD2 4.37Å; V57-L96 HydrophobicContact CG2-CD1 4.04Å; V57-W100 HydrophobicContact CG1-CH2 4.47Å
58E98.6Very high98.5Very high135 Ų13558.2 Ų58.263%0.63130%0.301SS*.Hα-helixtrans-60.6-49.7176-69.1171.5-17500111.2L54 Q55 A60 L61 E62L54-E58 PolarHBondContact O-N 2.86Å; Q55-E58 PolarHBondContact O-N 2.86Å; E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 PolarHBondContact O-N 3.11Å; E58-L61 PolarHBondContact O-N 3.08Å; E58-E62 WeakPolarHBondContact O-CB 3.48Å; E58-E62 PolarHBondContact O-N 2.81Å
59E98.7Very high98.4Very high38 Ų3860.8 Ų60.818%0.17832%0.323CS..Hα-helixtrans-57.5-41176.2-75.5175.1-165.300111.6P28 R30 Q55 Q63P28-E59 HydrophobicContact CB-CB 4.23Å; P28-E59 HydrophobicContact CG-CB 4.09Å; R30-E59 IonicContact NH2-OE1 2.71Å; R30-E59 PolarHBondContact NH2-OE1 3.02Å; R30-E59 IonicContact NH2-OE2 3.84Å; R30-E59 PolarHBondContact NH2-OE2 3.17Å; Q55-E59 HydrophobicContact CG-CG 4.35Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q55-E59 PolarHBondContact NE2-OE1 3.37Å; Q55-E59 WeakPolarHBondContact O-CB 3.39Å; Q55-E59 VanDerWaalsContact O-CG 3.29Å; Q55-E59 WeakPolarHBondContact O-CG 3.42Å; Q55-E59 PolarHBondContact O-N 3.37Å; E59-Q63 VanDerWaalsContact O-CB 3.29Å; E59-Q63 WeakPolarHBondContact O-CB 3.14Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.05Å
60A98.8Very high98.4Very high0 Ų064.8 Ų64.80%034%0.341CS..Hα-helixtrans-67.3-43.2179.900000111.8V16 I18 S26 P28 L56 V57 E58 S64V16-A60 HydrophobicContact CB-CB 4.01Å; V16-A60 HydrophobicContact CG1-CB 3.66Å; I18-A60 HydrophobicContact CD1-CB 4.24Å; I18-A60 HydrophobicContact CG1-CB 4.38Å; S26-A60 VanDerWaalsContact CB-O 3.25Å; S26-A60 WeakPolarHBondContact CB-O 3.48Å; S26-A60 WeakPolarHBondContact OG-CA 3.4Å; S26-A60 PolarHBondContact OG-O 3.16Å; P28-A60 HydrophobicContact CG-CB 3.79Å; L56-A60 VanDerWaalsContact O-CB 3.23Å; L56-A60 WeakPolarHBondContact O-CB 3.49Å; L56-A60 PolarHBondContact O-N 2.9Å; V57-A60 PolarHBondContact O-N 3.35Å; E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 PolarHBondContact O-N 3.11Å; A60-S64 VanDerWaalsContact O-CB 3.26Å; A60-S64 WeakPolarHBondContact O-CB 3.5Å; A60-S64 PolarHBondContact O-N 3.43Å; A60-S64 VanDerWaalsContact O-N 3.12Å; A60-S64 PolarHBondContact O-OG 3.42Å
61L98.8Very high98.4Very high27 Ų2758.3 Ų58.314%0.14132%0.317CS..Hα-helixtrans-63.8-48.5176.8-71166.5000110.6I18 V57 E58 S64 G65 I66 P68 W100I18-L61 HydrophobicContact CD1-CD2 3.82Å; I18-L61 HydrophobicContact CD1-CG 4.28Å; V57-L61 HydrophobicContact CG1-CD1 4.04Å; V57-L61 WeakPolarHBondContact O-CG 3.17Å; V57-L61 PolarHBondContact O-N 3.38Å; E58-L61 PolarHBondContact O-N 3.08Å; L61-S64 PolarHBondContact O-N 3.14Å; L61-S64 PolarHBondContact O-OG 3.22Å; L61-G65 PolarHBondContact O-N 3.02Å; L61-I66 WeakPolarHBondContact CD2-O 3.35Å; L61-I66 PolarHBondContact O-N 2.93Å; L61-P68 HydrophobicContact CD1-CG 4.27Å; L61-W100 HydrophobicContact CD1-CH2 4.14Å; L61-W100 HydrophobicContact CD1-CZ2 4.2Å; L61-W100 HydrophobicContact CD2-CH2 4.4Å
62E98.5Very high98.4Very high160 Ų16055.5 Ų55.575%0.74830%0.298SS*.Hα-helixtrans-59-51.4178.6-174.1-179.4-174.200111.9E58 S64 G65E58-E62 WeakPolarHBondContact O-CB 3.48Å; E58-E62 PolarHBondContact O-N 2.81Å; E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.37Å; E62-G65 PolarHBondContact O-N 3.28Å
63Q98.5Very high98.4Very high115 Ų11554.8 Ų54.854%0.53729%0.293SS..Hα-helixtrans-61.6-34.8179.9-73.817414.500112.9E59E59-Q63 VanDerWaalsContact O-CB 3.29Å; E59-Q63 WeakPolarHBondContact O-CB 3.14Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.05Å
64S98.4Very high98.4Very high20 Ų2054.6 Ų54.614%0.1429%0.292CS..Hα-helixtrans-81.6-19.6-178.670.10000113.9I18 A60 L61 E62 I66I18-S64 WeakPolarHBondContact CD1-OG 3.37Å; A60-S64 VanDerWaalsContact O-CB 3.26Å; A60-S64 WeakPolarHBondContact O-CB 3.5Å; A60-S64 PolarHBondContact O-N 3.43Å; A60-S64 VanDerWaalsContact O-N 3.12Å; A60-S64 PolarHBondContact O-OG 3.42Å; L61-S64 PolarHBondContact O-N 3.14Å; L61-S64 PolarHBondContact O-OG 3.22Å; E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.37Å; S64-I66 PolarHBondContact O-N 2.91Å; S64-I66 VanDerWaalsContact OG-CB 3.28Å; S64-I66 WeakPolarHBondContact OG-CB 3.42Å; S64-I66 VanDerWaalsContact OG-CG1 3.31Å; S64-I66 WeakPolarHBondContact OG-CG1 3.46Å; S64-I66 PolarHBondContact OG-N 3.47Å
65G98.2Very high98.4Very high59 Ų5949.6 Ų49.661%0.60827%0.266SS*.THydrogen-bonded Turntrans63.523.5-169.600000113.8L61 E62L61-G65 PolarHBondContact O-N 3.02Å; E62-G65 PolarHBondContact O-N 3.28Å
66I98.1Very high98.4Very high5 Ų545.3 Ų45.33%0.02625%0.246CC..  trans-96.9126.3-179.9-61.6-61000109.7V3 I18 R20 L25 L61 S64 Q70 V71V3-I66 HydrophobicContact CG1-CD1 4.45Å; V3-I66 HydrophobicContact CG1-CG1 4.39Å; V3-I66 HydrophobicContact CG1-CG2 3.99Å; I18-I66 HydrophobicContact CG2-CG1 4.02Å; R20-I66 VanDerWaalsContact CZ-CD1 3.46Å; L25-I66 HydrophobicContact CD1-CD1 3.83Å; L25-I66 HydrophobicContact CD1-CG1 3.85Å; L61-I66 WeakPolarHBondContact CD2-O 3.35Å; L61-I66 PolarHBondContact O-N 2.93Å; S64-I66 PolarHBondContact O-N 2.91Å; S64-I66 VanDerWaalsContact OG-CB 3.28Å; S64-I66 WeakPolarHBondContact OG-CB 3.42Å; S64-I66 VanDerWaalsContact OG-CG1 3.31Å; S64-I66 WeakPolarHBondContact OG-CG1 3.46Å; S64-I66 PolarHBondContact OG-N 3.47Å; I66-Q70 HydrophobicContact CG2-CB 4.03Å; I66-V71 HydrophobicContact CG2-CG2 3.99Å
67E97.7Very high98.4Very high121 Ų12145.3 Ų45.357%0.56525%0.246SC*.  trans-77.7146.6169.2-67.1-61.9149.700110.9S69 Q70E67-S69 PolarHBondContact O-N 3.27Å; E67-Q70 HydrophobicContact CB-CG 4.24Å; E67-Q70 WeakPolarHBondContact O-CB 3.28Å; E67-Q70 PolarHBondContact O-N 2.88Å
68P97.4Very high98.4Very high40 Ų4046.2 Ų46.226%0.2625%0.249SC..G310 helixtrans-50.5-32.5176.1-31.937.6000114.9L61 Q70 V71 W100L61-P68 HydrophobicContact CD1-CG 4.27Å; P68-Q70 VanDerWaalsContact C-N 3.25Å; P68-Q70 PolarHBondContact O-N 3.39Å; P68-V71 PolarHBondContact O-N 2.78Å; P68-W100 HydrophobicContact CB-CD2 3.97Å; P68-W100 HydrophobicContact CB-CG 4.25Å; P68-W100 HydrophobicContact CB-CH2 4.49Å; P68-W100 HydrophobicContact CB-CZ2 3.93Å; P68-W100 HydrophobicContact CG-CZ2 4.06Å
69S97.4Very high98.4Very high90 Ų9039.8 Ų39.863%0.62922%0.219SC*.G310 helixtrans-66.7-25.6177.959.30000113.4E67 K102E67-S69 PolarHBondContact O-N 3.27Å; S69-K102 PolarHBondContact O-NZ 3.18Å
70Q97.9Very high98.4Very high84 Ų8438.8 Ų38.839%0.39322%0.216SC..G310 helixtrans-86.3-10.8180-61177.7-69.100113.4V3 I66 E67 P68V3-Q70 WeakPolarHBondContact CB-O 3.36Å; I66-Q70 HydrophobicContact CG2-CB 4.03Å; E67-Q70 HydrophobicContact CB-CG 4.24Å; E67-Q70 WeakPolarHBondContact O-CB 3.28Å; E67-Q70 PolarHBondContact O-N 2.88Å; P68-Q70 VanDerWaalsContact C-N 3.25Å; P68-Q70 PolarHBondContact O-N 3.39Å
71V98.5Very high98.3Very high0 Ų040.1 Ų40.10%023%0.23CC..  trans-70.4128.7173.6175.10000109I5 I66 P68 V73 V74 W100 K102I5-V71 HydrophobicContact CB-CG1 4.39Å; I5-V71 HydrophobicContact CG2-CG1 3.78Å; I66-V71 HydrophobicContact CG2-CG2 3.99Å; P68-V71 PolarHBondContact O-N 2.78Å; V71-V73 WeakPolarHBondContact CG1-O 3.47Å; V71-V74 HydrophobicContact CG1-CG2 4.41Å; V71-W100 HydrophobicContact CB-CE3 4.41Å; V71-W100 HydrophobicContact CB-CZ3 4.39Å; V71-W100 HydrophobicContact CG1-CE3 4.44Å; V71-W100 HydrophobicContact CG1-CZ3 4.35Å; V71-W100 HydrophobicContact CG2-CZ3 4.07Å; V71-K102 WeakPolarHBondContact O-CD 3.5Å; V71-K102 WeakPolarHBondContact O-CE 3.19Å; V71-K102 PolarHBondContact O-NZ 2.99Å
72D98.5Very high98.2Very high49 Ų4940.4 Ų40.426%0.26223%0.231SC..  trans-93.5-29.1178.9-64.4-59.1000112.6T2 V3 P103 Y306T2-D72 WeakPolarHBondContact CA-OD2 3.44Å; T2-D72 HydrophobicContact CG2-CB 4.06Å; V3-D72 PolarHBondContact N-OD2 2.79Å; V3-D72 PolarHBondContact O-N 2.87Å; D72-P103 WeakPolarHBondContact O-CD 3.42Å; D72-Y306 HydrophobicContact CB-CE1 4.4Å
73V98.6Very high98.2Very high0 Ų033.6 Ų33.60%020%0.203CC..EExtended strand (participates in β ladder)trans-150.7140-179.362.30000111.7V3 A4 I5 V71 P103 L105 Y306V3-V73 PolarHBondContact O-N 3.44Å; A4-V73 HydrophobicContact CB-CG1 3.66Å; I5-V73 PolarHBondContact N-O 2.9Å; I5-V73 VanDerWaalsContact N-O 3.14Å; V71-V73 WeakPolarHBondContact CG1-O 3.47Å; V73-P103 HydrophobicContact CG2-CB 4.27Å; V73-L105 HydrophobicContact CG2-CB 4.33Å; V73-L105 HydrophobicContact CG2-CD1 3.97Å; V73-L105 HydrophobicContact CG2-CG 4.04Å; V73-Y306 HydrophobicContact CB-CD2 3.87Å; V73-Y306 HydrophobicContact CB-CE2 4.26Å; V73-Y306 HydrophobicContact CB-CG 4.05Å; V73-Y306 HydrophobicContact CG1-CD1 4.44Å; V73-Y306 HydrophobicContact CG1-CD2 4.39Å; V73-Y306 HydrophobicContact CG1-CG 4.05Å; V73-Y306 HydrophobicContact CG2-CD2 3.91Å; V73-Y306 HydrophobicContact CG2-CG 4.31Å
74V98.8Very high98.1Very high0 Ų030.1 Ų30.10%020%0.195CC..EExtended strand (participates in β ladder)trans-99.1125.2170.7-178.10000108.8I5 L7 V71 A93 L96 A97 W100 K102 P103 L104 L105I5-V74 HydrophobicContact CG2-CB 4.11Å; I5-V74 HydrophobicContact CG2-CG1 4.06Å; I5-V74 HydrophobicContact CG2-CG2 3.85Å; L7-V74 HydrophobicContact CD1-CG1 4.07Å; V71-V74 HydrophobicContact CG1-CG2 4.41Å; V74-A93 HydrophobicContact CG1-CB 4.07Å; V74-L96 HydrophobicContact CG1-CB 4.38Å; V74-L96 HydrophobicContact CG2-CB 4.42Å; V74-A97 HydrophobicContact CB-CB 4.17Å; V74-A97 HydrophobicContact CG2-CB 4.23Å; V74-W100 HydrophobicContact CG2-CE3 4.1Å; V74-W100 HydrophobicContact CG2-CZ3 4.37Å; V74-K102 HydrophobicContact CG2-CB 4.33Å; V74-P103 PolarHBondContact N-O 3.25Å; V74-L104 HydrophobicContact CB-CD1 4.25Å; V74-L104 HydrophobicContact CG1-CD1 4.09Å; V74-L104 CarbonylContact O-C 3.59Å; V74-L104 VanDerWaalsContact O-CA 3.3Å; V74-L104 WeakPolarHBondContact O-CA 3.47Å; V74-L105 PolarHBondContact O-N 3.34Å
75C98.9Very high98.2Very high0 Ų029.2 Ų29.20%019%0.188CC..EExtended strand (participates in β ladder)trans-117.8143.5-176.6-52.30000109.9I5 G6 L7 L105 V107 I298 G302I5-C75 WeakPolarHBondContact O-CA 3.46Å; I5-C75 WeakPolarHBondContact O-CB 3.46Å; I5-C75 PolarHBondContact O-N 3.09Å; G6-C75 CarbonylContact C-O 3.56Å; G6-C75 WeakPolarHBondContact CA-O 3.28Å; L7-C75 WeakPolarHBondContact CD1-O 3.4Å; L7-C75 PolarHBondContact N-O 3.24Å; C75-L105 CarbonylContact C-O 3.57Å; C75-L105 VanDerWaalsContact CA-O 3.28Å; C75-L105 WeakPolarHBondContact CA-O 3.39Å; C75-V107 HydrophobicContact CB-CG2 4.13Å; C75-I298 HydrophobicContact CB-CG2 3.99Å; C75-G302 VanDerWaalsContact SG-CA 3.54Å
76Y98.9Very high98.2Very high0 Ų026.4 Ų26.40%016%0.159CC..EExtended strand (participates in β ladder)trans-145.4158.9177.775.6-71.8000111.2L7 K78 A90 A93 L104 L105 V107 S317L7-Y76 WeakPolarHBondContact O-CA 3.3Å; Y76-K78 HydrophobicContact CE2-CB 4.35Å; Y76-K78 PolarHBondContact O-N 3.46Å; Y76-K78 VanDerWaalsContact O-N 3.13Å; Y76-A90 HydrophobicContact CD2-CB 3.68Å; Y76-A90 HydrophobicContact CE2-CB 3.68Å; Y76-A93 VanDerWaalsContact CB-CB 3.48Å; Y76-A93 HydrophobicContact CD1-CB 4.26Å; Y76-A93 HydrophobicContact CG-CB 3.94Å; Y76-L104 HydrophobicContact CD1-CD1 3.73Å; Y76-L104 HydrophobicContact CD1-CG 4.11Å; Y76-L104 HydrophobicContact CE1-CD1 4.09Å; Y76-L104 HydrophobicContact CE1-CD2 4.11Å; Y76-L104 HydrophobicContact CE1-CG 3.95Å; Y76-L105 VanDerWaalsContact CD1-O 3.3Å; Y76-L105 WeakPolarHBondContact CD1-O 3.33Å; Y76-L105 PolarHBondContact N-O 2.82Å; Y76-V107 PolarHBondContact O-N 3.49Å; Y76-S317 WeakPolarHBondContact OH-CA 3.41Å; Y76-S317 WeakPolarHBondContact OH-CB 3.42Å; Y76-S317 PolarHBondContact OH-O 3.04Å
77T98.8Very high98.2Very high1 Ų129.6 Ų29.61%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-71.9108.7174.8-51.50000110.3L7 E8 G79 L86 H109 I298L7-T77 PolarHBondContact O-N 3.39Å; L7-T77 PolarHBondContact O-OG1 3.1Å; E8-T77 PolarHBondContact OE2-OG1 3.47Å; T77-G79 VanDerWaalsContact C-N 3.33Å; T77-L86 HydrophobicContact CG2-CD2 3.95Å; T77-H109 HydrophobicContact CG2-CB 3.73Å; T77-I298 HydrophobicContact CG2-CD1 4.5Å; T77-I298 VanDerWaalsContact OG1-CD1 3.25Å; T77-I298 WeakPolarHBondContact OG1-CD1 3.35Å; T77-I298 WeakPolarHBondContact OG1-CG1 3.36Å
78K98.7Very high98.2Very high26 Ų2624.5 Ų24.511%0.11316%0.156CC..EExtended strand (participates in β ladder)trans-72.7-33.2172.9-164.2171.4-170.51700110.7Y76 V107 E316 Q318 C319 L320 Y323Y76-K78 HydrophobicContact CE2-CB 4.35Å; Y76-K78 PolarHBondContact O-N 3.46Å; Y76-K78 VanDerWaalsContact O-N 3.13Å; K78-V107 PolarHBondContact N-O 2.76Å; K78-E316 WeakPolarHBondContact CE-O 3.33Å; K78-E316 PolarHBondContact NZ-O 3.37Å; K78-Q318 WeakPolarHBondContact CE-O 3.41Å; K78-Q318 WeakPolarHBondContact CG-O 3.37Å; K78-C319 CarbonylContact O-C 3.55Å; K78-C319 VanDerWaalsContact O-CA 3.29Å; K78-C319 WeakPolarHBondContact O-CA 3.22Å; K78-L320 HydrophobicContact CD-CD1 4.43Å; K78-L320 HydrophobicContact CG-CG 4.41Å; K78-L320 PolarHBondContact O-N 3.48Å; K78-Y323 HydrophobicContact CB-CD1 4.32Å; K78-Y323 HydrophobicContact CB-CE1 4.24Å; K78-Y323 HydrophobicContact CD-CE1 4.27Å
79G98.3Very high98.3Very high0 Ų022.6 Ų22.60%014%0.144CC..EExtended strand (participates in β ladder)trans153.6-176.5176.900000112.2T77 N108 H109 L320T77-G79 VanDerWaalsContact C-N 3.33Å; G79-N108 CarbonylContact O-C 3.55Å; G79-N108 WeakPolarHBondContact O-CA 3.43Å; G79-H109 PolarHBondContact O-N 3.35Å; G79-L320 WeakPolarHBondContact CA-O 3.3Å
80P98.2Very high98.4Very high18 Ų1818.3 Ų18.312%0.11711%0.114CC..SBendcis-69.7174.2-2.330.6-36.1000112.3S10 L320 Q321 Y323S10-P80 WeakPolarHBondContact CB-O 3.34Å; P80-L320 WeakPolarHBondContact CA-O 3.3Å; P80-Q321 WeakPolarHBondContact CA-O 3.28Å; P80-Q321 VanDerWaalsContact CB-O 3.27Å; P80-Q321 WeakPolarHBondContact CB-O 3.37Å; P80-Y323 WeakPolarHBondContact CD-O 3.48Å
81G97.1Very high98.4Very high27 Ų2718.6 Ų18.628%0.27812%0.117SC..SBendtrans155.8-178177.400000114.4Q321G81-Q321 PolarHBondContact N-O 3.04Å; G81-Q321 WeakPolarHBondContact O-CA 3.39Å; G81-Q321 WeakPolarHBondContact O-CG 3.32Å
82M96.7Very high98.4Very high34 Ų3419.5 Ų19.517%0.16712%0.122CC..  trans-70.3129.9177.1-67.6-169.8-80.500110.9S10 A11 F40 P42 T45 A84 P85 L86S10-M82 PolarHBondContact O-N 2.86Å; A11-M82 WeakPolarHBondContact O-CE 3.32Å; F40-M82 HydrophobicContact CD2-CE 3.55Å; F40-M82 HydrophobicContact CD2-SD 4.05Å; F40-M82 HydrophobicContact CE2-CE 3.47Å; F40-M82 VanDerWaalsContact CE2-CE 3.47Å; F40-M82 HydrophobicContact CE2-SD 4.03Å; P42-M82 HydrophobicContact CB-SD 4.25Å; P42-M82 HydrophobicContact CG-SD 3.93Å; T45-M82 HydrophobicContact CG2-CE 3.91Å; M82-A84 PolarHBondContact O-N 2.84Å; M82-P85 HydrophobicContact CB-CB 4.37Å; M82-P85 HydrophobicContact CB-CG 3.78Å; M82-P85 HydrophobicContact CE-CG 4.06Å; M82-P85 WeakPolarHBondContact O-CD 3.42Å; M82-L86 WeakPolarHBondContact O-CB 3.39Å; M82-L86 VanDerWaalsContact O-CG 3.3Å; M82-L86 WeakPolarHBondContact O-CG 3.44Å; M82-L86 PolarHBondContact O-N 3.47Å
83G97.8Very high98.4Very high16 Ų1617.1 Ų17.117%0.16511%0.11CC..Hα-helixtrans-55.4-51.6-173.900000115L86 V87 Q321G83-L86 PolarHBondContact O-N 2.84Å; G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.26Å; G83-V87 PolarHBondContact O-N 3.13Å; G83-Q321 VanDerWaalsContact N-OE1 3.11Å
84A98.2Very high98.4Very high43 Ų4320.5 Ų20.536%0.35512%0.122SC..Hα-helixtrans-67.1-42.9-176.100000113.9A46 M82 T88A46-A84 HydrophobicContact CB-CB 3.76Å; M82-A84 PolarHBondContact O-N 2.84Å; A84-T88 PolarHBondContact O-N 2.91Å; A84-T88 VanDerWaalsContact O-N 3.16Å; A84-T88 PolarHBondContact O-OG1 3.17Å
85P98.5Very high98.4Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-58.9-48.7169.2-30.940000113.7G9 T45 A46 M82 V87 T88 V89G9-P85 CarbonylContact O-C 3.28Å; G9-P85 VanDerWaalsContact O-C 3.28Å; G9-P85 WeakPolarHBondContact O-CB 3.35Å; T45-P85 HydrophobicContact CG2-CB 4.39Å; T45-P85 HydrophobicContact CG2-CG 3.77Å; A46-P85 HydrophobicContact CB-CG 4.32Å; M82-P85 HydrophobicContact CB-CB 4.37Å; M82-P85 HydrophobicContact CB-CG 3.78Å; M82-P85 HydrophobicContact CE-CG 4.06Å; M82-P85 WeakPolarHBondContact O-CD 3.42Å; P85-V87 VanDerWaalsContact C-N 3.35Å; P85-V87 PolarHBondContact O-N 3.47Å; P85-T88 WeakPolarHBondContact O-CB 3.41Å; P85-T88 PolarHBondContact O-N 2.9Å; P85-T88 VanDerWaalsContact O-N 3.09Å; P85-V89 PolarHBondContact O-N 3.3Å; P85-V89 VanDerWaalsContact O-N 3.12Å
86L98.6Very high98.4Very high1 Ų125 Ų251%0.00515%0.149CC..Hα-helixtrans-56.1-47.5178.3-77.6174.9000112.1T77 M82 G83 T88 V89 A90 C319T77-L86 HydrophobicContact CG2-CD2 3.95Å; M82-L86 WeakPolarHBondContact O-CB 3.39Å; M82-L86 VanDerWaalsContact O-CG 3.3Å; M82-L86 WeakPolarHBondContact O-CG 3.44Å; M82-L86 PolarHBondContact O-N 3.47Å; G83-L86 PolarHBondContact O-N 2.84Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 2.76Å; L86-V89 PolarHBondContact O-N 2.9Å; L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 2.89Å; L86-C319 HydrophobicContact CB-CB 3.95Å; L86-C319 HydrophobicContact CD1-CB 4.35Å; L86-C319 PolarHBondContact O-SG 3.48Å
87V98.5Very high98.4Very high72 Ų7225.3 Ų25.344%0.43615%0.151SC..Hα-helixtrans-62.1-39.3179.21700000111.3G83 P85 V89 A90 I91G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.26Å; G83-V87 PolarHBondContact O-N 3.13Å; P85-V87 VanDerWaalsContact C-N 3.35Å; P85-V87 PolarHBondContact O-N 3.47Å; V87-V89 PolarHBondContact O-N 3.27Å; V87-A90 PolarHBondContact O-N 3.17Å; V87-I91 HydrophobicContact CG1-CD1 3.72Å; V87-I91 HydrophobicContact CG1-CG1 4.35Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.45Å; V87-I91 PolarHBondContact O-N 2.86Å
88T98.5Very high98.4Very high13 Ų1331 Ų318%0.0818%0.181CC..Hα-helixtrans-58.5-49.8177.2-64.10000110.9H49 R50 A84 P85 L86 V92H49-T88 HydrophobicContact CB-CG2 3.96Å; R50-T88 HydrophobicContact CB-CG2 4.35Å; R50-T88 HydrophobicContact CG-CG2 3.42Å; R50-T88 VanDerWaalsContact CG-CG2 3.42Å; A84-T88 PolarHBondContact O-N 2.91Å; A84-T88 VanDerWaalsContact O-N 3.16Å; A84-T88 PolarHBondContact O-OG1 3.17Å; P85-T88 WeakPolarHBondContact O-CB 3.41Å; P85-T88 PolarHBondContact O-N 2.9Å; P85-T88 VanDerWaalsContact O-N 3.09Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 2.76Å; T88-V92 PolarHBondContact O-N 2.61Å
89V98.8Very high98.3Very high1 Ų135 Ų351%0.00621%0.207CC..Hα-helixtrans-66.7-44179.9177.80000111.9L7 I53 P85 L86 V87 I91 V92 A93L7-V89 HydrophobicContact CB-CG1 3.47Å; L7-V89 VanDerWaalsContact CB-CG1 3.47Å; L7-V89 HydrophobicContact CD2-CG1 4.44Å; I53-V89 HydrophobicContact CD1-CB 4.24Å; I53-V89 HydrophobicContact CD1-CG1 4.31Å; I53-V89 HydrophobicContact CD1-CG2 3.87Å; P85-V89 PolarHBondContact O-N 3.3Å; P85-V89 VanDerWaalsContact O-N 3.12Å; L86-V89 PolarHBondContact O-N 2.9Å; V87-V89 PolarHBondContact O-N 3.27Å; V89-I91 VanDerWaalsContact C-N 3.31Å; V89-I91 PolarHBondContact O-N 3.46Å; V89-V92 PolarHBondContact O-N 2.86Å; V89-V92 VanDerWaalsContact O-N 3.16Å; V89-A93 PolarHBondContact O-N 3.05Å
90A98.7Very high98.3Very high0 Ų037.6 Ų37.60%022%0.217CC..Hα-helixtrans-62.5-37-178.900000112.6Y76 L86 V87 V92 A93 R94 C319Y76-A90 HydrophobicContact CD2-CB 3.68Å; Y76-A90 HydrophobicContact CE2-CB 3.68Å; L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 2.89Å; V87-A90 PolarHBondContact O-N 3.17Å; A90-V92 VanDerWaalsContact C-N 3.34Å; A90-V92 PolarHBondContact O-N 3.48Å; A90-A93 PolarHBondContact O-N 2.98Å; A90-R94 WeakPolarHBondContact O-CB 3.21Å; A90-R94 WeakPolarHBondContact O-CD 3.33Å; A90-R94 WeakPolarHBondContact O-CG 3.28Å; A90-R94 PolarHBondContact O-N 2.98Å; A90-C319 WeakPolarHBondContact CB-SG 3.37Å
91I98.6Very high98.3Very high90 Ų9040 Ų4046%0.46225%0.245SC..Hα-helixtrans-61.5-44.2175.2-72166.8000110.7V87 V89 T95V87-I91 HydrophobicContact CG1-CD1 3.72Å; V87-I91 HydrophobicContact CG1-CG1 4.35Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.45Å; V87-I91 PolarHBondContact O-N 2.86Å; V89-I91 VanDerWaalsContact C-N 3.31Å; V89-I91 PolarHBondContact O-N 3.46Å; I91-T95 WeakPolarHBondContact O-CB 3.35Å; I91-T95 PolarHBondContact O-N 2.85Å; I91-T95 PolarHBondContact O-OG1 3.24Å
92V98.8Very high98.3Very high18 Ų1841 Ų4111%0.10924%0.242CC..Hα-helixtrans-64.2-49.6178.2176.10000110.2L7 I53 L54 V57 T88 V89 A90 R94 T95 L96L7-V92 HydrophobicContact CD2-CB 4.24Å; L7-V92 HydrophobicContact CD2-CG1 3.78Å; I53-V92 HydrophobicContact CD1-CB 4.07Å; I53-V92 HydrophobicContact CD1-CG1 4.32Å; I53-V92 HydrophobicContact CD1-CG2 4.02Å; I53-V92 HydrophobicContact CG1-CG1 4.35Å; I53-V92 HydrophobicContact CG1-CG2 4.44Å; I53-V92 HydrophobicContact CG2-CG2 3.82Å; L54-V92 HydrophobicContact CD2-CG1 4.07Å; L54-V92 HydrophobicContact CD2-CG2 4.42Å; V57-V92 HydrophobicContact CG2-CG1 4.47Å; T88-V92 PolarHBondContact O-N 2.61Å; V89-V92 PolarHBondContact O-N 2.86Å; V89-V92 VanDerWaalsContact O-N 3.16Å; A90-V92 VanDerWaalsContact C-N 3.34Å; A90-V92 PolarHBondContact O-N 3.48Å; V92-R94 PolarHBondContact O-N 2.79Å; V92-T95 WeakPolarHBondContact O-CB 3.26Å; V92-T95 PolarHBondContact O-N 2.97Å; V92-T95 VanDerWaalsContact O-N 3.08Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.3Å; V92-L96 WeakPolarHBondContact O-CG 3.29Å; V92-L96 PolarHBondContact O-N 3.32Å
93A98.8Very high98.4Very high0 Ų041.8 Ų41.80%025%0.249CC..Hα-helixtrans-58.3-44.317900000113L7 V74 Y76 V89 A90 T95 L96 A97 L104L7-A93 HydrophobicContact CD1-CB 4.19Å; L7-A93 HydrophobicContact CD2-CB 4.33Å; V74-A93 HydrophobicContact CG1-CB 4.07Å; Y76-A93 VanDerWaalsContact CB-CB 3.48Å; Y76-A93 HydrophobicContact CD1-CB 4.26Å; Y76-A93 HydrophobicContact CG-CB 3.94Å; V89-A93 PolarHBondContact O-N 3.05Å; A90-A93 PolarHBondContact O-N 2.98Å; A93-T95 VanDerWaalsContact C-N 3.33Å; A93-T95 PolarHBondContact O-N 3.48Å; A93-L96 PolarHBondContact O-N 3.04Å; A93-A97 WeakPolarHBondContact O-CB 3.24Å; A93-A97 PolarHBondContact O-N 3.42Å; A93-L104 HydrophobicContact CB-CD1 4.05Å
94R98.8Very high98.5Very high71 Ų7141.4 Ų41.427%0.26824%0.243SC..Hα-helixtrans-59.5-43.7174.1-73.7169-169.3178.91.9111.9A90 V92 A97 L98 L104 I314 S317A90-R94 WeakPolarHBondContact O-CB 3.21Å; A90-R94 WeakPolarHBondContact O-CD 3.33Å; A90-R94 WeakPolarHBondContact O-CG 3.28Å; A90-R94 PolarHBondContact O-N 2.98Å; V92-R94 PolarHBondContact O-N 2.79Å; R94-A97 PolarHBondContact O-N 2.92Å; R94-L98 WeakPolarHBondContact O-CB 3.46Å; R94-L98 VanDerWaalsContact O-CG 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.46Å; R94-L98 PolarHBondContact O-N 3.11Å; R94-L104 HydrophobicContact CB-CD2 4.49Å; R94-L104 HydrophobicContact CG-CD2 3.67Å; R94-I314 HydrophobicContact CB-CD1 4.11Å; R94-I314 HydrophobicContact CG-CD1 4.23Å; R94-I314 HydrophobicContact CG-CG1 4.08Å; R94-S317 VanDerWaalsContact CZ-OG 3.31Å; R94-S317 PolarHBondContact NE-OG 3.04Å; R94-S317 PolarHBondContact NH2-O 3.37Å; R94-S317 PolarHBondContact NH2-OG 3.49Å
95T98.6Very high98.5Very high72 Ų7239.6 Ų39.644%0.44223%0.227SC..Hα-helixtrans-63.2-46.2179.4-56.70000110.8I91 V92 A93 L98 V99I91-T95 WeakPolarHBondContact O-CB 3.35Å; I91-T95 PolarHBondContact O-N 2.85Å; I91-T95 PolarHBondContact O-OG1 3.24Å; V92-T95 WeakPolarHBondContact O-CB 3.26Å; V92-T95 PolarHBondContact O-N 2.97Å; V92-T95 VanDerWaalsContact O-N 3.08Å; A93-T95 VanDerWaalsContact C-N 3.33Å; A93-T95 PolarHBondContact O-N 3.48Å; T95-L98 PolarHBondContact O-N 2.9Å; T95-V99 HydrophobicContact CG2-CG2 4.17Å; T95-V99 WeakPolarHBondContact O-CB 3.25Å; T95-V99 VanDerWaalsContact O-CG2 3.26Å; T95-V99 WeakPolarHBondContact O-CG2 3.26Å; T95-V99 PolarHBondContact O-N 3.44Å
96L98.5Very high98.5Very high22 Ų2239.8 Ų39.812%0.11523%0.23CC..Hα-helixtrans-60.1-47.7177-65.6174.4000111.3L7 V57 V74 V92 A93 L98 V99 W100L7-L96 HydrophobicContact CD1-CD1 4.4Å; L7-L96 HydrophobicContact CD2-CD1 4.18Å; V57-L96 HydrophobicContact CG1-CD1 4.2Å; V57-L96 HydrophobicContact CG1-CD2 4.37Å; V57-L96 HydrophobicContact CG2-CD1 4.04Å; V74-L96 HydrophobicContact CG1-CB 4.38Å; V74-L96 HydrophobicContact CG2-CB 4.42Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.3Å; V92-L96 WeakPolarHBondContact O-CG 3.29Å; V92-L96 PolarHBondContact O-N 3.32Å; A93-L96 PolarHBondContact O-N 3.04Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.14Å; L96-V99 PolarHBondContact O-N 3.02Å; L96-W100 HydrophobicContact CB-CD2 4.43Å; L96-W100 HydrophobicContact CB-CE3 4.32Å; L96-W100 HydrophobicContact CB-CZ3 4.37Å; L96-W100 HydrophobicContact CD1-CH2 4.39Å; L96-W100 HydrophobicContact CD2-CH2 4.01Å; L96-W100 HydrophobicContact CD2-CZ2 3.63Å; L96-W100 VanDerWaalsContact O-CB 3.29Å; L96-W100 WeakPolarHBondContact O-CB 3.29Å; L96-W100 VanDerWaalsContact O-CG 3.27Å; L96-W100 PolarHBondContact O-N 3.31Å
97A98.5Very high98.5Very high6 Ų639.8 Ų39.85%0.0523%0.23CC..Hα-helixtrans-57.3-45.5177.700000112.2V74 A93 R94 G101 K102 L104V74-A97 HydrophobicContact CB-CB 4.17Å; V74-A97 HydrophobicContact CG2-CB 4.23Å; A93-A97 WeakPolarHBondContact O-CB 3.24Å; A93-A97 PolarHBondContact O-N 3.42Å; R94-A97 PolarHBondContact O-N 2.92Å; A97-G101 CarbonylContact O-C 3.58Å; A97-G101 WeakPolarHBondContact O-CA 3.26Å; A97-G101 PolarHBondContact O-N 2.77Å; A97-K102 WeakPolarHBondContact CB-O 3.02Å; A97-K102 PolarHBondContact O-N 2.91Å; A97-L104 HydrophobicContact CB-CB 3.95Å; A97-L104 HydrophobicContact CB-CD1 4.04Å; A97-L104 HydrophobicContact CB-CG 4.49Å
98L98.3Very high98.5Very high121 Ų12136.4 Ų36.463%0.63421%0.209SC*.Hα-helixtrans-67.1-47.7178.7-72.3172.7000112.6R94 T95 L96 W100 G101 I314R94-L98 WeakPolarHBondContact O-CB 3.46Å; R94-L98 VanDerWaalsContact O-CG 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.46Å; R94-L98 PolarHBondContact O-N 3.11Å; T95-L98 PolarHBondContact O-N 2.9Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.14Å; L98-W100 VanDerWaalsContact C-N 3.34Å; L98-W100 PolarHBondContact O-N 2.87Å; L98-G101 PolarHBondContact O-N 2.96Å; L98-I314 HydrophobicContact CD1-CD1 3.58Å; L98-I314 HydrophobicContact CD2-CD1 3.77Å; L98-I314 HydrophobicContact CG-CD1 3.62Å
99V98.3Very high98.5Very high110 Ų11036 Ų3667%0.66721%0.207SC*.Hα-helixtrans-66.4-38.2-177.4172.40000111.1T95 L96T95-V99 HydrophobicContact CG2-CG2 4.17Å; T95-V99 WeakPolarHBondContact O-CB 3.25Å; T95-V99 VanDerWaalsContact O-CG2 3.26Å; T95-V99 WeakPolarHBondContact O-CG2 3.26Å; T95-V99 PolarHBondContact O-N 3.44Å; L96-V99 PolarHBondContact O-N 3.02Å
100W98.1Very high98.5Very high55 Ų5536 Ų3621%0.20821%0.207CC..Hα-helixtrans-86.8-5.6179.8-57.6-16.5000113.5I5 V57 L61 P68 V71 V74 L96 L98 K102I5-W100 HydrophobicContact CD1-CH2 4.18Å; I5-W100 HydrophobicContact CD1-CZ3 4.32Å; I5-W100 HydrophobicContact CG2-CZ3 4.17Å; V57-W100 HydrophobicContact CG1-CH2 4.47Å; L61-W100 HydrophobicContact CD1-CH2 4.14Å; L61-W100 HydrophobicContact CD1-CZ2 4.2Å; L61-W100 HydrophobicContact CD2-CH2 4.4Å; P68-W100 HydrophobicContact CB-CD2 3.97Å; P68-W100 HydrophobicContact CB-CG 4.25Å; P68-W100 HydrophobicContact CB-CH2 4.49Å; P68-W100 HydrophobicContact CB-CZ2 3.93Å; P68-W100 HydrophobicContact CG-CZ2 4.06Å; V71-W100 HydrophobicContact CB-CE3 4.41Å; V71-W100 HydrophobicContact CB-CZ3 4.39Å; V71-W100 HydrophobicContact CG1-CE3 4.44Å; V71-W100 HydrophobicContact CG1-CZ3 4.35Å; V71-W100 HydrophobicContact CG2-CZ3 4.07Å; V74-W100 HydrophobicContact CG2-CE3 4.1Å; V74-W100 HydrophobicContact CG2-CZ3 4.37Å; L96-W100 HydrophobicContact CB-CD2 4.43Å; L96-W100 HydrophobicContact CB-CE3 4.32Å; L96-W100 HydrophobicContact CB-CZ3 4.37Å; L96-W100 HydrophobicContact CD1-CH2 4.39Å; L96-W100 HydrophobicContact CD2-CH2 4.01Å; L96-W100 HydrophobicContact CD2-CZ2 3.63Å; L96-W100 VanDerWaalsContact O-CB 3.29Å; L96-W100 WeakPolarHBondContact O-CB 3.29Å; L96-W100 VanDerWaalsContact O-CG 3.27Å; L96-W100 PolarHBondContact O-N 3.31Å; L98-W100 VanDerWaalsContact C-N 3.34Å; L98-W100 PolarHBondContact O-N 2.87Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 HydrophobicContact CB-CG 3.72Å; W100-K102 PolarHBondContact O-N 2.66Å
101G97.6Very high98.5Very high67 Ų6736.1 Ų36.169%0.69121%0.207SC*.THydrogen-bonded Turntrans61.736-175.700000112.8A97 L98A97-G101 CarbonylContact O-C 3.58Å; A97-G101 WeakPolarHBondContact O-CA 3.26Å; A97-G101 PolarHBondContact O-N 2.77Å; L98-G101 PolarHBondContact O-N 2.96Å
102K98.2Very high98.5Very high49 Ų4931.8 Ų31.821%0.21319%0.185CC..  trans-109.9148.5-175.3-57.7-57.2-178.5150.40111.8S69 V71 V74 A97 W100S69-K102 PolarHBondContact O-NZ 3.18Å; V71-K102 WeakPolarHBondContact O-CD 3.5Å; V71-K102 WeakPolarHBondContact O-CE 3.19Å; V71-K102 PolarHBondContact O-NZ 2.99Å; V74-K102 HydrophobicContact CG2-CB 4.33Å; A97-K102 WeakPolarHBondContact CB-O 3.02Å; A97-K102 PolarHBondContact O-N 2.91Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 HydrophobicContact CB-CG 3.72Å; W100-K102 PolarHBondContact O-N 2.66Å
103P98.4Very high98.4Very high50 Ų5031.2 Ų31.233%0.32518%0.181SC..  trans-53146.7169.4-26.634.9000112.9D72 V73 V74 Y306D72-P103 WeakPolarHBondContact O-CD 3.42Å; V73-P103 HydrophobicContact CG2-CB 4.27Å; V74-P103 PolarHBondContact N-O 3.25Å; P103-Y306 HydrophobicContact CB-CE2 4.07Å; P103-Y306 HydrophobicContact CG-CE2 3.92Å
104L98.8Very high98.4Very high9 Ų931.2 Ų31.25%0.04718%0.181CC..EExtended strand (participates in β ladder)trans-112.3138.5174.8-176.370.1000109.5V74 Y76 A93 R94 A97 I314V74-L104 HydrophobicContact CB-CD1 4.25Å; V74-L104 HydrophobicContact CG1-CD1 4.09Å; V74-L104 CarbonylContact O-C 3.59Å; V74-L104 VanDerWaalsContact O-CA 3.3Å; V74-L104 WeakPolarHBondContact O-CA 3.47Å; Y76-L104 HydrophobicContact CD1-CD1 3.73Å; Y76-L104 HydrophobicContact CD1-CG 4.11Å; Y76-L104 HydrophobicContact CE1-CD1 4.09Å; Y76-L104 HydrophobicContact CE1-CD2 4.11Å; Y76-L104 HydrophobicContact CE1-CG 3.95Å; A93-L104 HydrophobicContact CB-CD1 4.05Å; R94-L104 HydrophobicContact CB-CD2 4.49Å; R94-L104 HydrophobicContact CG-CD2 3.67Å; A97-L104 HydrophobicContact CB-CB 3.95Å; A97-L104 HydrophobicContact CB-CD1 4.04Å; A97-L104 HydrophobicContact CB-CG 4.49Å; L104-I314 HydrophobicContact CD2-CG1 4.28Å
105L98.6Very high98.3Very high4 Ų428.2 Ų28.22%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-135.3128.9172.4-74.1178.9000112.7V73 V74 C75 Y76 G302 M305 Y306 Q312V73-L105 HydrophobicContact CG2-CB 4.33Å; V73-L105 HydrophobicContact CG2-CD1 3.97Å; V73-L105 HydrophobicContact CG2-CG 4.04Å; V74-L105 PolarHBondContact O-N 3.34Å; C75-L105 CarbonylContact C-O 3.57Å; C75-L105 VanDerWaalsContact CA-O 3.28Å; C75-L105 WeakPolarHBondContact CA-O 3.39Å; Y76-L105 VanDerWaalsContact CD1-O 3.3Å; Y76-L105 WeakPolarHBondContact CD1-O 3.33Å; Y76-L105 PolarHBondContact N-O 2.82Å; L105-G302 WeakPolarHBondContact CD1-O 3.05Å; L105-M305 HydrophobicContact CD1-CB 3.98Å; L105-Y306 HydrophobicContact CD1-CD2 4.37Å; L105-Q312 HydrophobicContact CD2-CB 3.96Å
106G98.6Very high98.3Very high5 Ų524.8 Ų24.85%0.05215%0.149CC..EExtended strand (participates in β ladder)trans-91.5113.2175.800000111.1
107V98.8Very high98.2Very high0 Ų023.8 Ų23.80%014%0.144CC..EExtended strand (participates in β ladder)trans-97142-174.4-179.50000110.1C75 Y76 K78 A112 I298 T301 M305C75-V107 HydrophobicContact CB-CG2 4.13Å; Y76-V107 PolarHBondContact O-N 3.49Å; K78-V107 PolarHBondContact N-O 2.76Å; V107-A112 HydrophobicContact CG1-CB 3.92Å; V107-I298 HydrophobicContact CB-CD1 4.36Å; V107-I298 HydrophobicContact CB-CG2 4.08Å; V107-I298 HydrophobicContact CG1-CD1 4.1Å; V107-I298 HydrophobicContact CG2-CG2 4.04Å; V107-T301 HydrophobicContact CG1-CG2 3.66Å; V107-M305 HydrophobicContact CG2-SD 4.08Å
108N98.7Very high98.2Very high2 Ų225.1 Ų25.11%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-78.3126.1169.9-178.1-73.5000110.1G79 C110 V111 A112 Y323 V328G79-N108 CarbonylContact O-C 3.55Å; G79-N108 WeakPolarHBondContact O-CA 3.43Å; N108-C110 VanDerWaalsContact C-N 3.32Å; N108-C110 PolarHBondContact O-N 2.78Å; N108-C110 WeakPolarHBondContact OD1-CA 3.31Å; N108-C110 VanDerWaalsContact OD1-CB 3.31Å; N108-C110 WeakPolarHBondContact OD1-CB 3.47Å; N108-C110 PolarHBondContact OD1-N 3.02Å; N108-V111 HydrophobicContact CB-CB 4.11Å; N108-V111 HydrophobicContact CB-CG2 3.95Å; N108-V111 PolarHBondContact O-N 2.98Å; N108-V111 PolarHBondContact OD1-N 3Å; N108-V111 VanDerWaalsContact OD1-N 3.11Å; N108-A112 WeakPolarHBondContact O-CB 3.32Å; N108-A112 PolarHBondContact O-N 3.45Å; N108-Y323 HydrophobicContact CB-CD1 3.92Å; N108-Y323 HydrophobicContact CB-CE1 3.71Å; N108-Y323 VanDerWaalsContact ND2-CD1 3.29Å; N108-Y323 WeakPolarHBondContact ND2-CD1 3.29Å; N108-Y323 VanDerWaalsContact ND2-CG 3.31Å; N108-Y323 PolarHBondContact ND2-O 3.24Å; N108-V328 HydrophobicContact CB-CG2 3.45Å; N108-V328 VanDerWaalsContact CB-CG2 3.45Å
109H98.6Very high98.1Very high5 Ų522.3 Ų22.32%0.02313%0.133CC..Hα-helixtrans-59.2-40.6-176.5178.881.2000113E8 S10 T77 G79 A112 H113 Y130 D293 M297E8-H109 IonicContact OE1-CE1 3.99Å; E8-H109 IonicContact OE1-ND1 3.47Å; E8-H109 IonicContact OE2-CE1 3.19Å; E8-H109 PolarHBondContact OE2-CE1 3.3Å; E8-H109 IonicContact OE2-CG 2.87Å; E8-H109 IonicContact OE2-ND1 3.91Å; E8-H109 PolarHBondContact OE2-ND1 2.87Å; S10-H109 PolarHBondContact OG-CE1 3.28Å; S10-H109 PolarHBondContact OG-ND1 3.12Å; T77-H109 HydrophobicContact CG2-CB 3.73Å; G79-H109 PolarHBondContact O-N 3.35Å; H109-A112 PolarHBondContact O-N 3.43Å; H109-H113 AromaticContact CD2-CD2 3.88Å; H109-H113 AromaticContact CE1-CD2 3.8Å; H109-H113 AromaticContact CE1-NE2 3.5Å; H109-H113 PolarHBondContact CE1-NE2 3.38Å; H109-H113 AromaticContact NE2-CD2 3.43Å; H109-H113 PolarHBondContact NE2-CD2 3.43Å; H109-H113 AromaticContact NE2-NE2 3.32Å; H109-H113 PolarHBondContact NE2-NE2 3.43Å; H109-H113 PolarHBondContact O-CD2 3.19Å; H109-H113 PolarHBondContact O-N 3.22Å; H109-Y130 PolarHBondContact CD2-OH 2.85Å; H109-Y130 PolarHBondContact NE2-OH 2.95Å; H109-D293 IonicContact CE1-OD1 3.1Å; H109-D293 PolarHBondContact CE1-OD1 3.27Å; H109-D293 VanDerWaalsContact CE1-OD1 3.29Å; H109-D293 IonicContact NE2-OD1 2.78Å; H109-D293 PolarHBondContact NE2-OD1 3.17Å; H109-M297 VanDerWaalsContact CE1-CE 3.45Å; H109-M297 WeakPolarHBondContact CE1-CE 3.48Å; H109-M297 WeakPolarHBondContact ND1-CE 3.16Å
110C98Very high98Very high1 Ų119.8 Ų19.81%0.00712%0.118CC..Hα-helixtrans-69-46.8-178.4-50.90000110.3N108 A112 H113 I114 Y130 T325N108-C110 VanDerWaalsContact C-N 3.32Å; N108-C110 PolarHBondContact O-N 2.78Å; N108-C110 WeakPolarHBondContact OD1-CA 3.31Å; N108-C110 VanDerWaalsContact OD1-CB 3.31Å; N108-C110 WeakPolarHBondContact OD1-CB 3.47Å; N108-C110 PolarHBondContact OD1-N 3.02Å; C110-A112 PolarHBondContact O-N 3.08Å; C110-H113 PolarHBondContact O-N 2.85Å; C110-I114 WeakPolarHBondContact O-CG1 3.32Å; C110-I114 PolarHBondContact O-N 3.46Å; C110-Y130 HydrophobicContact CB-CD1 4.06Å; C110-Y130 HydrophobicContact CB-CE1 3.8Å; C110-Y130 VanDerWaalsContact SG-CE1 3.54Å; C110-T325 HydrophobicContact CB-CG2 4.04Å; C110-T325 VanDerWaalsContact CB-OG1 3.29Å; C110-T325 WeakPolarHBondContact CB-OG1 3.45Å
111V98.4Very high97.9Very high1 Ų118.7 Ų18.71%0.00612%0.117CC..Hα-helixtrans-58.7-36.4175.2178.60000110.9N108 I114 E115 Y146 T301 T325 V328 W332N108-V111 HydrophobicContact CB-CB 4.11Å; N108-V111 HydrophobicContact CB-CG2 3.95Å; N108-V111 PolarHBondContact O-N 2.98Å; N108-V111 PolarHBondContact OD1-N 3Å; N108-V111 VanDerWaalsContact OD1-N 3.11Å; V111-I114 WeakPolarHBondContact O-CB 3.46Å; V111-I114 PolarHBondContact O-N 3.45Å; V111-E115 HydrophobicContact CG1-CG 4.1Å; V111-E115 WeakPolarHBondContact O-CG 3.34Å; V111-E115 PolarHBondContact O-N 3.18Å; V111-Y146 HydrophobicContact CB-CD2 4.49Å; V111-Y146 HydrophobicContact CG1-CD2 3.95Å; V111-Y146 HydrophobicContact CG1-CE2 3.94Å; V111-Y146 HydrophobicContact CG2-CD2 4.05Å; V111-T301 HydrophobicContact CG1-CG2 3.99Å; V111-T325 HydrophobicContact CG2-CG2 4.04Å; V111-V328 HydrophobicContact CG2-CB 4.07Å; V111-V328 HydrophobicContact CG2-CG1 4.29Å; V111-V328 HydrophobicContact CG2-CG2 3.98Å; V111-W332 HydrophobicContact CG1-CH2 3.98Å; V111-W332 HydrophobicContact CG1-CZ2 3.75Å
112A98.4Very high97.8Very high0 Ų018.1 Ų18.10%011%0.111CC..Hα-helixtrans-65.9-40.6179.500000114.1V107 N108 H109 C110 I114 M116 M297 I298 T301V107-A112 HydrophobicContact CG1-CB 3.92Å; N108-A112 WeakPolarHBondContact O-CB 3.32Å; N108-A112 PolarHBondContact O-N 3.45Å; H109-A112 PolarHBondContact O-N 3.43Å; C110-A112 PolarHBondContact O-N 3.08Å; A112-I114 VanDerWaalsContact C-N 3.29Å; A112-I114 PolarHBondContact O-N 3.31Å; A112-M116 VanDerWaalsContact O-CB 3.32Å; A112-M116 WeakPolarHBondContact O-CB 3.28Å; A112-M116 PolarHBondContact O-N 2.85Å; A112-M297 HydrophobicContact CB-CB 4.18Å; A112-M297 HydrophobicContact CB-CG 3.8Å; A112-M297 HydrophobicContact CB-SD 4.46Å; A112-I298 HydrophobicContact CB-CD1 3.68Å; A112-T301 VanDerWaalsContact CA-OG1 3.23Å; A112-T301 WeakPolarHBondContact CA-OG1 3.29Å
113H98Very high97.7Very high5 Ų515.9 Ų15.92%0.02310%0.102CC..Hα-helixtrans-58-43170.6-88.7-72.4000111.7H109 C110 G117 Y130 V259 C291 D293H109-H113 AromaticContact CD2-CD2 3.88Å; H109-H113 AromaticContact CE1-CD2 3.8Å; H109-H113 AromaticContact CE1-NE2 3.5Å; H109-H113 PolarHBondContact CE1-NE2 3.38Å; H109-H113 AromaticContact NE2-CD2 3.43Å; H109-H113 PolarHBondContact NE2-CD2 3.43Å; H109-H113 AromaticContact NE2-NE2 3.32Å; H109-H113 PolarHBondContact NE2-NE2 3.43Å; H109-H113 PolarHBondContact O-CD2 3.19Å; H109-H113 PolarHBondContact O-N 3.22Å; C110-H113 PolarHBondContact O-N 2.85Å; H113-G117 PolarHBondContact O-N 3.46Å; H113-Y130 HydrophobicContact CB-CD2 4.34Å; H113-Y130 HydrophobicContact CB-CE2 4.08Å; H113-Y130 AromaticContact CD2-CE2 3.58Å; H113-Y130 AromaticContact CD2-CZ 3.76Å; H113-Y130 PolarHBondContact CD2-OH 3.22Å; H113-Y130 AromaticContact CG-CE2 3.75Å; H113-V259 HydrophobicContact CB-CB 4.23Å; H113-V259 HydrophobicContact CB-CG2 4.17Å; H113-C291 PolarHBondContact CE1-O 2.87Å; H113-D293 IonicContact CE1-OD1 2.79Å; H113-D293 PolarHBondContact CE1-OD1 3.21Å; H113-D293 IonicContact NE2-OD1 3.31Å; H113-D293 PolarHBondContact NE2-OD1 3.28Å
114I97.8Very high97.5Very high1 Ų118.8 Ų18.81%0.00512%0.115CC..Hα-helixtrans-63.5-54.2178.9-57.9168.8000110.8C110 V111 A112 M116 G117 R118 V128 I139 Y146 T325C110-I114 WeakPolarHBondContact O-CG1 3.32Å; C110-I114 PolarHBondContact O-N 3.46Å; V111-I114 WeakPolarHBondContact O-CB 3.46Å; V111-I114 PolarHBondContact O-N 3.45Å; A112-I114 VanDerWaalsContact C-N 3.29Å; A112-I114 PolarHBondContact O-N 3.31Å; I114-M116 PolarHBondContact O-N 3.39Å; I114-G117 WeakPolarHBondContact O-CA 3.26Å; I114-G117 PolarHBondContact O-N 3.36Å; I114-G117 VanDerWaalsContact O-N 3.13Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 3.3Å; I114-V128 HydrophobicContact CG1-CG1 4.01Å; I114-V128 HydrophobicContact CG2-CG2 3.94Å; I114-I139 HydrophobicContact CD1-CB 4.47Å; I114-I139 HydrophobicContact CD1-CD1 3.94Å; I114-I139 HydrophobicContact CD1-CG2 3.85Å; I114-Y146 HydrophobicContact CD1-CD1 3.81Å; I114-Y146 HydrophobicContact CD1-CD2 4.12Å; I114-Y146 HydrophobicContact CD1-CE1 4.23Å; I114-Y146 HydrophobicContact CD1-CG 3.77Å; I114-Y146 HydrophobicContact CG2-CD1 4.26Å; I114-Y146 HydrophobicContact CG2-CE1 3.58Å; I114-Y146 HydrophobicContact CG2-CE2 4.27Å; I114-T325 HydrophobicContact CD1-CG2 4.17Å
115E98Very high97.4Very high7 Ų721.8 Ų21.83%0.03313%0.131CC..Hα-helixtrans-65.3-40.2-175.6-66.4-58.9159.600112.3V111 G117 R118 L119 Y146 T301 L304 W332V111-E115 HydrophobicContact CG1-CG 4.1Å; V111-E115 WeakPolarHBondContact O-CG 3.34Å; V111-E115 PolarHBondContact O-N 3.18Å; E115-G117 VanDerWaalsContact C-N 3.32Å; E115-G117 PolarHBondContact O-N 3.26Å; E115-R118 PolarHBondContact O-N 3.06Å; E115-R118 IonicContact OE2-NE 3.7Å; E115-L119 WeakPolarHBondContact O-CB 3.27Å; E115-L119 PolarHBondContact O-N 2.9Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.26Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.23Å; E115-Y146 PolarHBondContact OE1-OH 3.42Å; E115-T301 HydrophobicContact CG-CG2 4.19Å; E115-L304 HydrophobicContact CB-CD1 4.26Å; E115-L304 HydrophobicContact CG-CD1 4.19Å; E115-W332 HydrophobicContact CG-CZ2 4.01Å; E115-W332 PolarHBondContact OE1-NE1 3.17Å; E115-W332 PolarHBondContact OE2-NE1 3.38Å
116M97.8Very high97.3Very high1 Ų121.9 Ų21.91%0.00513%0.132CC..Hα-helixtrans-63.1-41.2172.8-178.454.96800111.3V24 A112 I114 R118 L119 V120 Y290 A296 M297 H300V24-M116 HydrophobicContact CG2-CE 4.3Å; A112-M116 VanDerWaalsContact O-CB 3.32Å; A112-M116 WeakPolarHBondContact O-CB 3.28Å; A112-M116 PolarHBondContact O-N 2.85Å; I114-M116 PolarHBondContact O-N 3.39Å; M116-R118 PolarHBondContact O-N 3.47Å; M116-L119 HydrophobicContact CE-CD2 4.31Å; M116-L119 PolarHBondContact O-N 3.11Å; M116-L119 HydrophobicContact SD-CD2 4.07Å; M116-V120 HydrophobicContact CG-CG1 4.45Å; M116-V120 WeakPolarHBondContact O-CG2 3.47Å; M116-V120 PolarHBondContact O-N 3.39Å; M116-V120 HydrophobicContact SD-CG1 3.57Å; M116-V120 VanDerWaalsContact SD-CG1 3.57Å; M116-Y290 HydrophobicContact CG-CD1 3.99Å; M116-Y290 HydrophobicContact CG-CG 4.25Å; M116-Y290 HydrophobicContact SD-CD1 3.71Å; M116-Y290 HydrophobicContact SD-CE1 4.1Å; M116-Y290 HydrophobicContact SD-CG 4.31Å; M116-A296 HydrophobicContact CE-CB 3.89Å; M116-A296 VanDerWaalsContact CE-O 3.26Å; M116-A296 WeakPolarHBondContact CE-O 3.39Å; M116-M297 HydrophobicContact CB-CB 3.54Å; M116-M297 VanDerWaalsContact CE-CA 3.49Å; M116-M297 HydrophobicContact CE-CB 4.25Å; M116-M297 HydrophobicContact CG-CB 3.95Å; M116-H300 HydrophobicContact CE-CB 3.82Å
117G97.1Very high97.3Very high1 Ų121.6 Ų21.61%0.0113%0.129CC..Hα-helixtrans-57.6-47.1174.100000112.4H113 I114 E115 L119 T121H113-G117 PolarHBondContact O-N 3.46Å; I114-G117 WeakPolarHBondContact O-CA 3.26Å; I114-G117 PolarHBondContact O-N 3.36Å; I114-G117 VanDerWaalsContact O-N 3.13Å; E115-G117 VanDerWaalsContact C-N 3.32Å; E115-G117 PolarHBondContact O-N 3.26Å; G117-L119 PolarHBondContact O-N 2.9Å; G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.23Å; G117-T121 VanDerWaalsContact O-CG2 3.3Å; G117-T121 WeakPolarHBondContact O-CG2 3.49Å; G117-T121 PolarHBondContact O-N 2.68Å; G117-T121 PolarHBondContact O-OG1 3.01Å
118R97.3Very high97.3Very high34 Ų3421.7 Ų21.713%0.12813%0.13CC..Hα-helixtrans-59.4-47.4175.3-66.7172.562.572.56.5112I114 E115 M116 V120 G122 A123 D124 Y146 L257 R333I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 3.3Å; E115-R118 PolarHBondContact O-N 3.06Å; E115-R118 IonicContact OE2-NE 3.7Å; M116-R118 PolarHBondContact O-N 3.47Å; R118-V120 PolarHBondContact O-N 2.8Å; R118-G122 VanDerWaalsContact O-CA 3.31Å; R118-G122 WeakPolarHBondContact O-CA 3.25Å; R118-G122 PolarHBondContact O-N 2.81Å; R118-A123 PolarHBondContact NH1-O 3.4Å; R118-D124 VanDerWaalsContact NH1-C 3.3Å; R118-D124 PolarHBondContact NH1-O 3.02Å; R118-D124 PolarHBondContact NH2-O 3.34Å; R118-D124 IonicContact NH2-OD1 3.47Å; R118-Y146 WeakPolarHBondContact CD-OH 3.28Å; R118-L257 HydrophobicContact CG-CD2 4.09Å; R118-R333 VanDerWaalsContact NH1-CZ 3.27Å; R118-R333 VanDerWaalsContact NH1-NH1 3.15Å
119L96.4Very high97.3Very high62 Ų6221.6 Ų21.633%0.32513%0.129SC..Hα-helixtrans-57.9-50.9-179.3175.867.5000112G22 E115 M116 G117G22-L119 WeakPolarHBondContact O-CD2 3.42Å; E115-L119 WeakPolarHBondContact O-CB 3.27Å; E115-L119 PolarHBondContact O-N 2.9Å; M116-L119 HydrophobicContact CE-CD2 4.31Å; M116-L119 PolarHBondContact O-N 3.11Å; M116-L119 HydrophobicContact SD-CD2 4.07Å; G117-L119 PolarHBondContact O-N 2.9Å
120V96.1Very high97.3Very high56 Ų5621.4 Ų21.434%0.33913%0.128SC..Hα-helixtrans-83.3-23.3-170.6-55.90000113.3M116 R118 T286 Y290M116-V120 HydrophobicContact CG-CG1 4.45Å; M116-V120 WeakPolarHBondContact O-CG2 3.47Å; M116-V120 PolarHBondContact O-N 3.39Å; M116-V120 HydrophobicContact SD-CG1 3.57Å; M116-V120 VanDerWaalsContact SD-CG1 3.57Å; R118-V120 PolarHBondContact O-N 2.8Å; V120-T286 HydrophobicContact CG2-CG2 3.61Å; V120-Y290 HydrophobicContact CB-CD2 4.31Å; V120-Y290 HydrophobicContact CB-CE2 4.46Å; V120-Y290 HydrophobicContact CG1-CD1 4.37Å; V120-Y290 HydrophobicContact CG1-CD2 3.9Å; V120-Y290 HydrophobicContact CG1-CE1 4.38Å; V120-Y290 HydrophobicContact CG1-CE2 3.91Å; V120-Y290 HydrophobicContact CG1-CG 4.13Å; V120-Y290 HydrophobicContact CG2-CD2 4.23Å
121T96.1Very high97.3Very high33 Ų3321.3 Ų21.320%0.20213%0.128CC..Hα-helixtrans-101.1-20-179.168.60000113.5G117 A123 L257 Y284 T286G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.23Å; G117-T121 VanDerWaalsContact O-CG2 3.3Å; G117-T121 WeakPolarHBondContact O-CG2 3.49Å; G117-T121 PolarHBondContact O-N 2.68Å; G117-T121 PolarHBondContact O-OG1 3.01Å; T121-A123 VanDerWaalsContact C-N 3.29Å; T121-A123 PolarHBondContact OG1-N 2.83Å; T121-L257 HydrophobicContact CG2-CD1 4.17Å; T121-Y284 WeakPolarHBondContact O-CD1 3.34Å; T121-T286 HydrophobicContact CG2-CG2 4.15Å
122G96.1Very high97.1Very high54 Ų5421.7 Ų21.756%0.55713%0.13SC*.  trans74.614.2-174.100000114.5R118 D124R118-G122 VanDerWaalsContact O-CA 3.31Å; R118-G122 WeakPolarHBondContact O-CA 3.25Å; R118-G122 PolarHBondContact O-N 2.81Å; G122-D124 PolarHBondContact O-N 3.18Å
123A96.6Very high96.7Very high3 Ų323.3 Ų23.33%0.02515%0.147CC..  trans-63.3130.9175.400000111.1R118 T121 P126 L257 Y284R118-A123 PolarHBondContact NH1-O 3.4Å; T121-A123 VanDerWaalsContact C-N 3.29Å; T121-A123 PolarHBondContact OG1-N 2.83Å; A123-P126 HydrophobicContact CB-CB 4.35Å; A123-P126 HydrophobicContact CB-CG 3.86Å; A123-L257 HydrophobicContact CB-CB 4.47Å; A123-L257 HydrophobicContact CB-CD2 4.44Å; A123-Y284 HydrophobicContact CB-CD1 4.21Å; A123-Y284 HydrophobicContact CB-CD2 3.81Å; A123-Y284 HydrophobicContact CB-CE2 4.26Å; A123-Y284 HydrophobicContact CB-CG 3.78Å
124D94.4Very high96.5Very high110 Ų11025.9 Ų25.959%0.58818%0.175SC*.SBendtrans-101.1-46.5-169.6-174.430.2000113.5R118 G122 E255 R333R118-D124 VanDerWaalsContact NH1-C 3.3Å; R118-D124 PolarHBondContact NH1-O 3.02Å; R118-D124 PolarHBondContact NH2-O 3.34Å; R118-D124 IonicContact NH2-OD1 3.47Å; G122-D124 PolarHBondContact O-N 3.18Å; D124-E255 PolarHBondContact N-OE2 2.86Å; D124-R333 PolarHBondContact O-NH2 3.09Å
125D95Very high96.4Very high73 Ų7327.2 Ų27.239%0.3918%0.182SC..SBendtrans-14563171.9-15537.8000112.8S253 E255 R333D125-S253 PolarHBondContact O-OG 3.44Å; D125-S253 VanDerWaalsContact O-OG 3.09Å; D125-E255 PolarHBondContact N-OE2 2.87Å; D125-E255 VanDerWaalsContact N-OE2 3.14Å; D125-R333 IonicContact OD1-CZ 3.47Å; D125-R333 IonicContact OD1-NH1 3.45Å; D125-R333 IonicContact OD1-NH2 3.29Å; D125-R333 PolarHBondContact OD1-NH2 3.19Å
126P97.9Very high96.4Very high5 Ų526.9 Ų26.93%0.03218%0.181CC..PPolyproline II helixtrans-77.3151.9-176.233.6-37.4000112.6A123 V128 E255 L257A123-P126 HydrophobicContact CB-CB 4.35Å; A123-P126 HydrophobicContact CB-CG 3.86Å; P126-V128 HydrophobicContact CG-CG2 4.03Å; P126-V128 PolarHBondContact O-N 3.49Å; P126-E255 CarbonylContact C-O 3.57Å; P126-E255 VanDerWaalsContact CA-O 3.29Å; P126-E255 WeakPolarHBondContact CA-O 3.45Å; P126-E255 HydrophobicContact CB-CB 3.86Å; P126-L257 HydrophobicContact CB-CB 3.57Å; P126-L257 HydrophobicContact CG-CB 3.52Å; P126-L257 HydrophobicContact CG-CD2 4.01Å; P126-L257 HydrophobicContact CG-CG 4.41Å
127V98.5Very high96.4Very high0 Ų027.5 Ų27.50%018%0.183CC..EExtended strand (participates in β ladder)trans-67.5123.5149.4173.70000107.4V138 V140 T244 A247 M248 C251 E255 V256 L257V127-V138 HydrophobicContact CG1-CG1 3.59Å; V127-V140 HydrophobicContact CG2-CG2 4.11Å; V127-T244 HydrophobicContact CG1-CG2 4.08Å; V127-A247 HydrophobicContact CG1-CB 3.99Å; V127-M248 HydrophobicContact CB-CG 3.97Å; V127-M248 HydrophobicContact CG1-CG 4.39Å; V127-M248 HydrophobicContact CG2-CB 4.38Å; V127-M248 HydrophobicContact CG2-CG 3.78Å; V127-C251 WeakPolarHBondContact CG2-SG 3.15Å; V127-E255 PolarHBondContact N-O 3.28Å; V127-V256 CarbonylContact O-C 3.59Å; V127-V256 VanDerWaalsContact O-CA 3.28Å; V127-V256 WeakPolarHBondContact O-CA 3.26Å; V127-L257 PolarHBondContact O-N 3.35Å
128V98.6Very high96.5Very high2 Ų227.5 Ų27.51%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-99.3120.1-177.5-173.40000110.1I114 P126 V138 I139 L257 V259I114-V128 HydrophobicContact CG1-CG1 4.01Å; I114-V128 HydrophobicContact CG2-CG2 3.94Å; P126-V128 HydrophobicContact CG-CG2 4.03Å; P126-V128 PolarHBondContact O-N 3.49Å; V128-V138 CarbonylContact O-C 3.58Å; V128-V138 WeakPolarHBondContact O-CA 3.37Å; V128-I139 HydrophobicContact CB-CB 4.23Å; V128-I139 PolarHBondContact N-O 3.13Å; V128-I139 PolarHBondContact O-N 2.79Å; V128-L257 CarbonylContact C-O 3.59Å; V128-L257 VanDerWaalsContact CA-O 3.28Å; V128-L257 WeakPolarHBondContact CA-O 3.41Å; V128-L257 HydrophobicContact CG1-CG 4.46Å; V128-L257 WeakPolarHBondContact CG1-O 3.32Å; V128-L257 HydrophobicContact CG2-CB 4.28Å; V128-L257 HydrophobicContact CG2-CD2 4.27Å; V128-V259 HydrophobicContact CG1-CG2 3.51Å
129L98.7Very high96.6Very high0 Ų025.9 Ų25.90%018%0.177CC..EExtended strand (participates in β ladder)trans-91.8104.7165.5179.364.1000108.8V131 V138 L240 L257 V258 V259 M272L129-V131 HydrophobicContact CD1-CG1 3.83Å; L129-V131 HydrophobicContact CD2-CG1 4.19Å; L129-V131 HydrophobicContact CG-CG1 3.83Å; L129-V131 HydrophobicContact CG-CG2 4.38Å; L129-V138 HydrophobicContact CD1-CG2 4.07Å; L129-L240 HydrophobicContact CD1-CD2 4.04Å; L129-L240 HydrophobicContact CD2-CB 4.1Å; L129-L257 PolarHBondContact N-O 3.03Å; L129-V258 HydrophobicContact CD2-CG1 4.45Å; L129-V259 PolarHBondContact O-N 3.33Å; L129-M272 HydrophobicContact CD2-CE 3.39Å
130Y98.3Very high96.6Very high0 Ų023.4 Ų23.40%017%0.165CC..EExtended strand (participates in β ladder)trans-96.6109.8174.7177.5-142.4000111H109 C110 H113 N135 T136 Q137 I139 V259H109-Y130 PolarHBondContact CD2-OH 2.85Å; H109-Y130 PolarHBondContact NE2-OH 2.95Å; C110-Y130 HydrophobicContact CB-CD1 4.06Å; C110-Y130 HydrophobicContact CB-CE1 3.8Å; C110-Y130 VanDerWaalsContact SG-CE1 3.54Å; H113-Y130 HydrophobicContact CB-CD2 4.34Å; H113-Y130 HydrophobicContact CB-CE2 4.08Å; H113-Y130 AromaticContact CD2-CE2 3.58Å; H113-Y130 AromaticContact CD2-CZ 3.76Å; H113-Y130 PolarHBondContact CD2-OH 3.22Å; H113-Y130 AromaticContact CG-CE2 3.75Å; Y130-N135 HydrophobicContact CD1-CB 3.69Å; Y130-N135 HydrophobicContact CE1-CB 3.2Å; Y130-N135 VanDerWaalsContact CE1-CG 3.49Å; Y130-T136 CarbonylContact O-C 3.17Å; Y130-T136 VanDerWaalsContact O-CA 3.24Å; Y130-T136 WeakPolarHBondContact O-CA 3.41Å; Y130-Q137 PolarHBondContact N-O 3.48Å; Y130-Q137 PolarHBondContact O-N 3.35Å; Y130-I139 HydrophobicContact CD1-CD1 4.48Å; Y130-V259 HydrophobicContact CD2-CG2 3.83Å; Y130-V259 HydrophobicContact CG-CG2 4.19Å
131V97.6Very high96.7Very high0 Ų021.9 Ų21.90%015%0.153CC..EExtended strand (participates in β ladder)trans-128.9112.3-176.6-75.20000111.7L129 T136 V157 L240 V258 V259 G260 G261 V262 L268L129-V131 HydrophobicContact CD1-CG1 3.83Å; L129-V131 HydrophobicContact CD2-CG1 4.19Å; L129-V131 HydrophobicContact CG-CG1 3.83Å; L129-V131 HydrophobicContact CG-CG2 4.38Å; V131-T136 HydrophobicContact CG1-CG2 4.07Å; V131-V157 HydrophobicContact CB-CG1 3.83Å; V131-V157 HydrophobicContact CG1-CG1 3.78Å; V131-L240 HydrophobicContact CG1-CD1 4.1Å; V131-L240 HydrophobicContact CG1-CD2 3.76Å; V131-V258 HydrophobicContact CG2-CG1 4.25Å; V131-V259 PolarHBondContact N-O 3.45Å; V131-G260 CarbonylContact O-C 3.58Å; V131-G260 WeakPolarHBondContact O-CA 3.41Å; V131-G261 PolarHBondContact O-N 2.95Å; V131-V262 HydrophobicContact CB-CB 3.93Å; V131-V262 HydrophobicContact CB-CG1 4.4Å; V131-V262 HydrophobicContact CG2-CB 3.89Å; V131-V262 HydrophobicContact CG2-CG1 4.3Å; V131-V262 WeakPolarHBondContact O-CB 3.47Å; V131-V262 PolarHBondContact O-N 3.25Å; V131-L268 HydrophobicContact CG2-CD2 3.99Å
132S94.3Very high96.6Very high8 Ų823.9 Ų23.96%0.05616%0.16CC..  trans-137-178.3179.581.60000111.4G134 N135 G158S132-G134 PolarHBondContact O-N 3.29Å; S132-G134 PolarHBondContact OG-N 3.31Å; S132-G134 VanDerWaalsContact OG-N 3.12Å; S132-N135 PolarHBondContact N-O 3.35Å; S132-N135 PolarHBondContact OG-N 2.97Å; S132-G158 WeakPolarHBondContact O-CA 3.3Å; S132-G158 PolarHBondContact O-N 3.2Å; S132-G158 VanDerWaalsContact O-N 3.15Å
133G91Very high96.5Very high35 Ų3528 Ų2836%0.36117%0.165SC..SBendtrans-64.2-22171.400000113.8N159G133-N159 WeakPolarHBondContact O-CB 3.29Å
134G92.3Very high96.5Very high59 Ų5932.7 Ų32.761%0.60819%0.186SC*.SBendtrans-114.8-14.8-17700000114.9S132S132-G134 PolarHBondContact O-N 3.29Å; S132-G134 PolarHBondContact OG-N 3.31Å; S132-G134 VanDerWaalsContact OG-N 3.12Å
135N96.1Very high96.6Very high28 Ų2831.6 Ų31.615%0.1517%0.174CC..  trans-138.4145.1-172.9-67.385.4000112Y130 S132Y130-N135 HydrophobicContact CD1-CB 3.69Å; Y130-N135 HydrophobicContact CE1-CB 3.2Å; Y130-N135 VanDerWaalsContact CE1-CG 3.49Å; S132-N135 PolarHBondContact N-O 3.35Å; S132-N135 PolarHBondContact OG-N 2.97Å
136T98.3Very high96.7Very high1 Ų128.1 Ų28.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-147.5104.5168.6-61.40000107.8Y130 V131 E151 T152 A156 V157 M202 F204 L240Y130-T136 CarbonylContact O-C 3.17Å; Y130-T136 VanDerWaalsContact O-CA 3.24Å; Y130-T136 WeakPolarHBondContact O-CA 3.41Å; V131-T136 HydrophobicContact CG1-CG2 4.07Å; T136-E151 WeakPolarHBondContact O-CA 3.36Å; T136-T152 PolarHBondContact O-N 3.39Å; T136-A156 WeakPolarHBondContact OG1-CA 3.08Å; T136-V157 HydrophobicContact CG2-CB 4.5Å; T136-V157 HydrophobicContact CG2-CG1 4.4Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.38Å; T136-V157 PolarHBondContact OG1-N 2.94Å; T136-M202 HydrophobicContact CG2-CE 3.56Å; T136-F204 HydrophobicContact CG2-CE2 3.81Å; T136-F204 HydrophobicContact CG2-CZ 4.28Å; T136-L240 HydrophobicContact CG2-CD2 3.68Å
137Q98.6Very high96.8Very high13 Ų1331.7 Ų31.76%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-143.4142.6-172.3-62.5-178.4-22.600110.4Y130 I139 G150 E151 T325Y130-Q137 PolarHBondContact N-O 3.48Å; Y130-Q137 PolarHBondContact O-N 3.35Å; Q137-I139 HydrophobicContact CB-CD1 3.89Å; Q137-I139 HydrophobicContact CB-CG1 3.76Å; Q137-G150 CarbonylContact C-O 3.59Å; Q137-G150 WeakPolarHBondContact CA-O 3.24Å; Q137-E151 HydrophobicContact CG-CB 3.96Å; Q137-E151 PolarHBondContact NE2-OE2 3.33Å; Q137-T325 PolarHBondContact OE1-OG1 3.18Å
138V98.7Very high96.7Very high1 Ų133 Ų331%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-103.4116.8166.3-173.70000107.2V127 V128 L129 Y149 G150 V243 A247V127-V138 HydrophobicContact CG1-CG1 3.59Å; V128-V138 CarbonylContact O-C 3.58Å; V128-V138 WeakPolarHBondContact O-CA 3.37Å; L129-V138 HydrophobicContact CD1-CG2 4.07Å; V138-Y149 PolarHBondContact O-N 3.38Å; V138-G150 PolarHBondContact N-O 3.39Å; V138-G150 PolarHBondContact O-N 2.85Å; V138-V243 HydrophobicContact CG2-CB 4.33Å; V138-V243 HydrophobicContact CG2-CG2 3.7Å; V138-A247 HydrophobicContact CG1-CB 3.4Å; V138-A247 VanDerWaalsContact CG1-CB 3.4Å
139I98.6Very high96.7Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-123.2138.1-165.2-57.9168.5000109.5I114 V128 Y130 Q137 Y146 R147 I148 T325I114-I139 HydrophobicContact CD1-CB 4.47Å; I114-I139 HydrophobicContact CD1-CD1 3.94Å; I114-I139 HydrophobicContact CD1-CG2 3.85Å; V128-I139 HydrophobicContact CB-CB 4.23Å; V128-I139 PolarHBondContact N-O 3.13Å; V128-I139 PolarHBondContact O-N 2.79Å; Y130-I139 HydrophobicContact CD1-CD1 4.48Å; Q137-I139 HydrophobicContact CB-CD1 3.89Å; Q137-I139 HydrophobicContact CB-CG1 3.76Å; I139-Y146 HydrophobicContact CG2-CD1 3.97Å; I139-Y146 HydrophobicContact CG2-CG 4.23Å; I139-R147 CarbonylContact C-O 3.59Å; I139-R147 VanDerWaalsContact CA-O 3.26Å; I139-R147 WeakPolarHBondContact CA-O 3.41Å; I139-I148 HydrophobicContact CG1-CG1 4.36Å; I139-T325 HydrophobicContact CD1-CG2 3.95Å; I139-T325 HydrophobicContact CG2-CG2 4.34Å
140V97.8Very high96.7Very high10 Ų1035.1 Ų35.16%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-129.7139.5177-175.40000109V127 R147 Y149 C251V127-V140 HydrophobicContact CG2-CG2 4.11Å; V140-R147 PolarHBondContact N-O 2.99Å; V140-R147 PolarHBondContact O-N 2.96Å; V140-Y149 HydrophobicContact CB-CD2 4.45Å; V140-Y149 HydrophobicContact CB-CE1 4.46Å; V140-Y149 HydrophobicContact CB-CE2 4.35Å; V140-Y149 HydrophobicContact CG2-CD1 4.44Å; V140-Y149 HydrophobicContact CG2-CD2 3.67Å; V140-Y149 HydrophobicContact CG2-CE2 3.9Å; V140-Y149 HydrophobicContact CG2-CG 3.97Å; V140-C251 HydrophobicContact CG1-CB 4.26Å
141Y97.4Very high96.7Very high24 Ų2437.4 Ų37.49%0.09419%0.194CC..EExtended strand (participates in β ladder)trans-78.6123.7171.6177.9-102.4000110.1Q144 R145 Y146 V330 R333Y141-Q144 WeakPolarHBondContact OH-CA 3.42Å; Y141-R145 WeakPolarHBondContact CA-O 3.33Å; Y141-Y146 HydrophobicContact CD2-CD1 4.31Å; Y141-Y146 HydrophobicContact CD2-CE1 4.06Å; Y141-Y146 HydrophobicContact CG-CE1 4.36Å; Y141-V330 HydrophobicContact CD2-CG1 4.24Å; Y141-V330 HydrophobicContact CE2-CB 3.87Å; Y141-V330 HydrophobicContact CE2-CG1 3.67Å; Y141-V330 HydrophobicContact CE2-CG2 4.49Å; Y141-R333 VanDerWaalsContact CB-NH1 3.32Å; Y141-R333 HydrophobicContact CE1-CB 4.14Å; Y141-R333 HydrophobicContact CE2-CB 3.76Å; Y141-R333 HydrophobicContact CE2-CG 4.39Å; Y141-R333 VanDerWaalsContact CZ-CB 3.46Å; Y141-R333 VanDerWaalsContact OH-CB 3.26Å; Y141-R333 WeakPolarHBondContact OH-CB 3.47Å; Y141-R333 PolarHBondContact OH-O 2.99Å
142Q94.9Very high96.7Very high75 Ų7538.6 Ų38.635%0.3520%0.201SC..  trans-156.8130.7178.1-176.5176.53100111Q144 R145 R147 Y149Q142-Q144 PolarHBondContact O-N 2.84Å; Q142-R145 PolarHBondContact N-O 3.37Å; Q142-R145 PolarHBondContact O-N 3.35Å; Q142-R147 HydrophobicContact CB-CG 4.37Å; Q142-R147 PolarHBondContact O-NE 3.46Å; Q142-R147 VanDerWaalsContact O-NE 3.11Å; Q142-Y149 PolarHBondContact OE1-OH 2.9Å
143E93.3Very high96.9Very high142 Ų14242.5 Ų42.566%0.66422%0.221SC*.SBendtrans5353.5178.6-63.3171.2-179.400112.1R145 R147E143-R145 PolarHBondContact O-N 2.93Å; E143-R145 VanDerWaalsContact O-N 3.17Å; E143-R147 IonicContact OE2-CZ 3.98Å; E143-R147 IonicContact OE2-NH2 2.93Å; E143-R147 PolarHBondContact OE2-NH2 3.19Å
144Q95.6Very high97.1Very high101 Ų10143.8 Ų43.847%0.47222%0.22SC..SBendtrans5729.6179.5-58.6177.225.600114.3Y141 Q142 V330Y141-Q144 WeakPolarHBondContact OH-CA 3.42Å; Q142-Q144 PolarHBondContact O-N 2.84Å; Q144-V330 WeakPolarHBondContact O-CB 3.32Å; Q144-V330 PolarHBondContact O-N 3.38Å
145R97.1Very high97.3Very high86 Ų8642.7 Ų42.733%0.32520%0.199SC..BIsolated β-bridgetrans-141.4148.1175.6-67.8-175.3178.2-86-6.2111Y141 Q142 E143 R147 D326 N327Y141-R145 WeakPolarHBondContact CA-O 3.33Å; Q142-R145 PolarHBondContact N-O 3.37Å; Q142-R145 PolarHBondContact O-N 3.35Å; E143-R145 PolarHBondContact O-N 2.93Å; E143-R145 VanDerWaalsContact O-N 3.17Å; R145-R147 HydrophobicContact CB-CG 4.26Å; R145-R147 PolarHBondContact O-N 3Å; R145-D326 WeakPolarHBondContact CD-O 3.49Å; R145-D326 PolarHBondContact NH1-O 2.88Å; R145-N327 VanDerWaalsContact NH1-C 3.25Å; R145-N327 PolarHBondContact NH1-O 2.74Å; R145-N327 VanDerWaalsContact NH1-O 3.08Å
146Y98.2Very high97.4Very high1 Ų141.7 Ų41.70%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-8598.1164.6-76.6-62.2000109.4V111 I114 E115 R118 I139 Y141 T325 D326 V330 R333V111-Y146 HydrophobicContact CB-CD2 4.49Å; V111-Y146 HydrophobicContact CG1-CD2 3.95Å; V111-Y146 HydrophobicContact CG1-CE2 3.94Å; V111-Y146 HydrophobicContact CG2-CD2 4.05Å; I114-Y146 HydrophobicContact CD1-CD1 3.81Å; I114-Y146 HydrophobicContact CD1-CD2 4.12Å; I114-Y146 HydrophobicContact CD1-CE1 4.23Å; I114-Y146 HydrophobicContact CD1-CG 3.77Å; I114-Y146 HydrophobicContact CG2-CD1 4.26Å; I114-Y146 HydrophobicContact CG2-CE1 3.58Å; I114-Y146 HydrophobicContact CG2-CE2 4.27Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.26Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.23Å; E115-Y146 PolarHBondContact OE1-OH 3.42Å; R118-Y146 WeakPolarHBondContact CD-OH 3.28Å; I139-Y146 HydrophobicContact CG2-CD1 3.97Å; I139-Y146 HydrophobicContact CG2-CG 4.23Å; Y141-Y146 HydrophobicContact CD2-CD1 4.31Å; Y141-Y146 HydrophobicContact CD2-CE1 4.06Å; Y141-Y146 HydrophobicContact CG-CE1 4.36Å; Y146-T325 CarbonylContact O-C 3.55Å; Y146-D326 WeakPolarHBondContact O-CA 3.11Å; Y146-D326 WeakPolarHBondContact O-CB 3.42Å; Y146-D326 PolarHBondContact O-N 2.92Å; Y146-V330 HydrophobicContact CD2-CG1 4.5Å; Y146-V330 HydrophobicContact CD2-CG2 3.48Å; Y146-V330 VanDerWaalsContact CD2-CG2 3.48Å; Y146-V330 HydrophobicContact CE2-CG1 3.94Å; Y146-V330 HydrophobicContact CE2-CG2 3.76Å; Y146-V330 HydrophobicContact CG-CG2 4.33Å; Y146-R333 WeakPolarHBondContact OH-CD 3.3Å; Y146-R333 PolarHBondContact OH-NH1 2.69Å; Y146-R333 VanDerWaalsContact OH-NH1 3.16Å
147R98Very high97.4Very high79 Ų7941.7 Ų41.730%0.29820%0.195SC..EExtended strand (participates in β ladder)trans-87.2141.3-176.5-59.7-167.8-178.9-121.2-3.3110.9I139 V140 Q142 E143 R145 Y149I139-R147 CarbonylContact C-O 3.59Å; I139-R147 VanDerWaalsContact CA-O 3.26Å; I139-R147 WeakPolarHBondContact CA-O 3.41Å; V140-R147 PolarHBondContact N-O 2.99Å; V140-R147 PolarHBondContact O-N 2.96Å; Q142-R147 HydrophobicContact CB-CG 4.37Å; Q142-R147 PolarHBondContact O-NE 3.46Å; Q142-R147 VanDerWaalsContact O-NE 3.11Å; E143-R147 IonicContact OE2-CZ 3.98Å; E143-R147 IonicContact OE2-NH2 2.93Å; E143-R147 PolarHBondContact OE2-NH2 3.19Å; R145-R147 HydrophobicContact CB-CG 4.26Å; R145-R147 PolarHBondContact O-N 3Å; R147-Y149 HydrophobicContact CB-CE1 4.46Å
148I98.2Very high97.3Very high27 Ų2741.1 Ų41.114%0.13819%0.193CC..EExtended strand (participates in β ladder)trans-91.2112.5177.9-63.2159.4000107.6I139 G150 E151 R324I139-I148 HydrophobicContact CG1-CG1 4.36Å; I148-G150 WeakPolarHBondContact CG2-O 3.36Å; I148-E151 HydrophobicContact CG2-CB 3.84Å; I148-E151 HydrophobicContact CG2-CG 3.98Å; I148-R324 VanDerWaalsContact CD1-NH2 3.31Å
149Y98Very high97.1Very high46 Ų4643.6 Ų43.618%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-87.9-28.5176.4-88.819.3000112.1V138 V140 Q142 R147 M200 A247 Q250 C251V138-Y149 PolarHBondContact O-N 3.38Å; V140-Y149 HydrophobicContact CB-CD2 4.45Å; V140-Y149 HydrophobicContact CB-CE1 4.46Å; V140-Y149 HydrophobicContact CB-CE2 4.35Å; V140-Y149 HydrophobicContact CG2-CD1 4.44Å; V140-Y149 HydrophobicContact CG2-CD2 3.67Å; V140-Y149 HydrophobicContact CG2-CE2 3.9Å; V140-Y149 HydrophobicContact CG2-CG 3.97Å; Q142-Y149 PolarHBondContact OE1-OH 2.9Å; R147-Y149 HydrophobicContact CB-CE1 4.46Å; Y149-M200 HydrophobicContact CD2-SD 4.41Å; Y149-M200 VanDerWaalsContact O-CB 3.24Å; Y149-M200 WeakPolarHBondContact O-CB 3.46Å; Y149-M200 VanDerWaalsContact O-CE 3.26Å; Y149-M200 WeakPolarHBondContact O-CE 3.33Å; Y149-A247 HydrophobicContact CD2-CB 4.22Å; Y149-Q250 HydrophobicContact CE2-CG 4.17Å; Y149-C251 HydrophobicContact CE2-CB 4.27Å
150G98.4Very high97Very high1 Ų143.6 Ų43.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-152146.4174.400000110.7Q137 V138 I148 M200 D201Q137-G150 CarbonylContact C-O 3.59Å; Q137-G150 WeakPolarHBondContact CA-O 3.24Å; V138-G150 PolarHBondContact N-O 3.39Å; V138-G150 PolarHBondContact O-N 2.85Å; I148-G150 WeakPolarHBondContact CG2-O 3.36Å; G150-M200 VanDerWaalsContact CA-O 3.22Å; G150-M200 WeakPolarHBondContact CA-O 3.14Å; G150-D201 WeakPolarHBondContact CA-OD1 3.19Å
151E98.5Very high97Very high49 Ų4943.3 Ų43.323%0.22920%0.204CC..EExtended strand (participates in β ladder)trans-144.8167.1174.157.7-174.1136.200112.7T136 Q137 I148 D201 M202 R324T136-E151 WeakPolarHBondContact O-CA 3.36Å; Q137-E151 HydrophobicContact CG-CB 3.96Å; Q137-E151 PolarHBondContact NE2-OE2 3.33Å; I148-E151 HydrophobicContact CG2-CB 3.84Å; I148-E151 HydrophobicContact CG2-CG 3.98Å; E151-D201 PolarHBondContact N-OD1 2.93Å; E151-D201 WeakPolarHBondContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CB 3.33Å; E151-M202 PolarHBondContact O-N 3.47Å; E151-M202 VanDerWaalsContact O-N 3.14Å; E151-R324 IonicContact OE1-CZ 2.66Å; E151-R324 IonicContact OE1-NH1 3.74Å; E151-R324 PolarHBondContact OE1-NH1 3.48Å; E151-R324 IonicContact OE1-NH2 3.89Å; E151-R324 PolarHBondContact OE1-NH2 2.84Å; E151-R324 IonicContact OE2-NH1 2.8Å
152T98.2Very high96.9Very high24 Ų2443.5 Ų43.515%0.14721%0.207CC..BIsolated β-bridgetrans-65.7136.9167.5-175.40000110.3T136 D154 I155 M202T136-T152 PolarHBondContact O-N 3.39Å; T152-D154 VanDerWaalsContact C-N 3.32Å; T152-D154 PolarHBondContact OG1-N 2.9Å; T152-D154 PolarHBondContact OG1-OD1 2.79Å; T152-I155 WeakPolarHBondContact CB-O 3.38Å; T152-I155 WeakPolarHBondContact CG2-O 3.3Å; T152-I155 PolarHBondContact OG1-O 3.45Å; T152-M202 CarbonylContact C-O 3.59Å; T152-M202 WeakPolarHBondContact CA-O 3.4Å
153L97.3Very high96.9Very high90 Ų9044.3 Ų44.347%0.47121%0.207SC..SBendtrans-83.2-11.3176-60.8175.9000112.7K198 D201 M202L153-K198 HydrophobicContact CD1-CB 4.48Å; L153-K198 HydrophobicContact CD1-CD 3.74Å; L153-D201 HydrophobicContact CD1-CB 4.15Å; L153-D201 HydrophobicContact CD2-CB 3.86Å; L153-D201 HydrophobicContact CG-CB 3.88Å; L153-M202 PolarHBondContact N-O 3.29Å
154D96.5Very high97.1Very high63 Ų6337.6 Ų37.634%0.33718%0.175SC..SBendtrans-137.2-100.1-176.149.948.3000113T152 S203 F204 A205T152-D154 VanDerWaalsContact C-N 3.32Å; T152-D154 PolarHBondContact OG1-N 2.9Å; T152-D154 PolarHBondContact OG1-OD1 2.79Å; D154-S203 WeakPolarHBondContact OD2-CA 3.38Å; D154-S203 VanDerWaalsContact OD2-CB 3.31Å; D154-S203 WeakPolarHBondContact OD2-CB 3.46Å; D154-S203 PolarHBondContact OD2-OG 3.38Å; D154-F204 PolarHBondContact OD1-N 3.45Å; D154-F204 PolarHBondContact OD2-N 3.46Å; D154-A205 HydrophobicContact CB-CB 3.89Å; D154-A205 VanDerWaalsContact CG-CB 3.43Å; D154-A205 VanDerWaalsContact CG-N 3.34Å; D154-A205 PolarHBondContact OD1-N 2.91Å; D154-A205 VanDerWaalsContact OD2-CB 3.26Å; D154-A205 WeakPolarHBondContact OD2-CB 3.19Å; D154-A205 PolarHBondContact OD2-N 3Å
155I96.7Very high97.1Very high36 Ų3632.8 Ų32.819%0.18515%0.153CC..SBendtrans-98.3151.3-178.965.8176.5000109.9T152 N159 C160 F204 L208T152-I155 WeakPolarHBondContact CB-O 3.38Å; T152-I155 WeakPolarHBondContact CG2-O 3.3Å; T152-I155 PolarHBondContact OG1-O 3.45Å; I155-N159 HydrophobicContact CB-CB 4.29Å; I155-C160 HydrophobicContact CD1-CB 3.93Å; I155-C160 HydrophobicContact CG1-CB 4.45Å; I155-F204 HydrophobicContact CD1-CB 4.4Å; I155-F204 HydrophobicContact CG1-CB 3.87Å; I155-F204 WeakPolarHBondContact O-CD2 3.45Å; I155-L208 HydrophobicContact CD1-CD2 3.87Å
156A97.2Very high97Very high7 Ų731.8 Ų31.86%0.05815%0.149CC..  trans-67.1152.7172.200000111.6T136 G158 N159 C160T136-A156 WeakPolarHBondContact OG1-CA 3.08Å; A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 3.05Å; A156-N159 HydrophobicContact CB-CB 4.43Å; A156-N159 WeakPolarHBondContact O-CA 3.49Å; A156-N159 VanDerWaalsContact O-CB 3.29Å; A156-N159 WeakPolarHBondContact O-CB 3.23Å; A156-N159 PolarHBondContact O-N 3.05Å; A156-C160 PolarHBondContact O-N 3.03Å
157V98.1Very high96.8Very high0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-58.8-38.2177.970.20000111.8V131 T136 N159 C160 L161 F204 V236 L240 V262V131-V157 HydrophobicContact CB-CG1 3.83Å; V131-V157 HydrophobicContact CG1-CG1 3.78Å; T136-V157 HydrophobicContact CG2-CB 4.5Å; T136-V157 HydrophobicContact CG2-CG1 4.4Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.38Å; T136-V157 PolarHBondContact OG1-N 2.94Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.32Å; V157-C160 WeakPolarHBondContact O-CB 3.46Å; V157-C160 PolarHBondContact O-N 3.32Å; V157-L161 WeakPolarHBondContact O-CG 3.1Å; V157-L161 PolarHBondContact O-N 2.87Å; V157-F204 HydrophobicContact CB-CD2 4.41Å; V157-F204 HydrophobicContact CB-CE1 4.18Å; V157-F204 HydrophobicContact CB-CE2 4.04Å; V157-F204 HydrophobicContact CB-CZ 3.91Å; V157-F204 HydrophobicContact CG2-CD1 4.31Å; V157-F204 HydrophobicContact CG2-CE1 3.91Å; V157-F204 HydrophobicContact CG2-CZ 4.1Å; V157-V236 HydrophobicContact CG2-CB 4Å; V157-V236 HydrophobicContact CG2-CG2 4.06Å; V157-L240 HydrophobicContact CB-CD1 4.45Å; V157-L240 HydrophobicContact CG1-CD1 4.23Å; V157-L240 HydrophobicContact CG2-CD1 4.05Å; V157-V262 HydrophobicContact CG1-CB 4.41Å; V157-V262 HydrophobicContact CG1-CG1 4.18Å; V157-V262 HydrophobicContact CG1-CG2 4.22Å
158G96.2Very high96.6Very high2 Ų232.1 Ų32.12%0.02116%0.156CC..Hα-helixtrans-65.7-3617500000112.4S132 A156 C160 L161 D162S132-G158 WeakPolarHBondContact O-CA 3.3Å; S132-G158 PolarHBondContact O-N 3.2Å; S132-G158 VanDerWaalsContact O-N 3.15Å; A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 3.05Å; G158-C160 VanDerWaalsContact C-N 3.34Å; G158-L161 PolarHBondContact O-N 3.48Å; G158-D162 WeakPolarHBondContact O-CB 3.19Å; G158-D162 PolarHBondContact O-N 2.87Å
159N95.1Very high96.4Very high53 Ų5338.9 Ų38.928%0.28319%0.187SC..Hα-helixtrans-64.2-41.3172.9-170.1-86.2000111.6G133 I155 A156 V157 D162 R163G133-N159 WeakPolarHBondContact O-CB 3.29Å; I155-N159 HydrophobicContact CB-CB 4.29Å; A156-N159 HydrophobicContact CB-CB 4.43Å; A156-N159 WeakPolarHBondContact O-CA 3.49Å; A156-N159 VanDerWaalsContact O-CB 3.29Å; A156-N159 WeakPolarHBondContact O-CB 3.23Å; A156-N159 PolarHBondContact O-N 3.05Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.32Å; N159-D162 PolarHBondContact O-N 3.47Å; N159-R163 WeakPolarHBondContact O-CB 3.39Å; N159-R163 WeakPolarHBondContact O-CG 3.43Å; N159-R163 PolarHBondContact O-N 3.39Å
160C97.4Very high96.2Very high0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-58.9-51.2174.8-176.90000110.8I155 A156 V157 G158 D162 R163 V164 F204I155-C160 HydrophobicContact CD1-CB 3.93Å; I155-C160 HydrophobicContact CG1-CB 4.45Å; A156-C160 PolarHBondContact O-N 3.03Å; V157-C160 WeakPolarHBondContact O-CB 3.46Å; V157-C160 PolarHBondContact O-N 3.32Å; G158-C160 VanDerWaalsContact C-N 3.34Å; C160-D162 PolarHBondContact O-N 2.79Å; C160-R163 PolarHBondContact O-N 2.93Å; C160-V164 WeakPolarHBondContact O-CG2 3.29Å; C160-V164 PolarHBondContact O-N 2.87Å; C160-F204 HydrophobicContact CB-CB 3.97Å
161L97.5Very high96Very high4 Ų440.4 Ų40.42%0.02120%0.201CC..Hα-helixtrans-58.8-47.5176.8-67.6173.1000111.6V157 G158 R163 V164 A165 I180 V232 V236 F237 V262V157-L161 WeakPolarHBondContact O-CG 3.1Å; V157-L161 PolarHBondContact O-N 2.87Å; G158-L161 PolarHBondContact O-N 3.48Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 2.95Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.15Å; L161-A165 PolarHBondContact O-N 3.21Å; L161-I180 HydrophobicContact CB-CD1 4.05Å; L161-I180 HydrophobicContact CD2-CD1 4.2Å; L161-I180 HydrophobicContact CD2-CG2 4.39Å; L161-I180 WeakPolarHBondContact O-CD1 3.34Å; L161-V232 HydrophobicContact CD2-CG1 3.87Å; L161-V236 HydrophobicContact CD2-CG2 4.38Å; L161-F237 HydrophobicContact CD1-CE1 4.4Å; L161-V262 HydrophobicContact CD1-CG1 4Å; L161-V262 HydrophobicContact CD1-CG2 4.43Å
162D95Very high95.7Very high28 Ų2838.9 Ų38.915%0.1520%0.195CC..Hα-helixtrans-60.8-34.8177.8-70.7-9.2000112.4G158 N159 C160 R166 P176G158-D162 WeakPolarHBondContact O-CB 3.19Å; G158-D162 PolarHBondContact O-N 2.87Å; N159-D162 PolarHBondContact O-N 3.47Å; C160-D162 PolarHBondContact O-N 2.79Å; D162-R166 WeakPolarHBondContact O-CG 3.11Å; D162-R166 PolarHBondContact O-N 3.03Å; D162-R166 PolarHBondContact O-NE 3.33Å; D162-P176 HydrophobicContact CB-CB 4.47Å; D162-P176 HydrophobicContact CB-CG 4.46Å; D162-P176 WeakPolarHBondContact OD1-CB 3.47Å; D162-P176 WeakPolarHBondContact OD1-CG 3.22Å
163R95.5Very high95.3Very high92 Ų9243 Ų4335%0.34722%0.216SC..Hα-helixtrans-71.7-41.4174.6-73.8-174.265.1-167-14.1112.1N159 C160 L161 A165 R166 L167 L208 E212N159-R163 WeakPolarHBondContact O-CB 3.39Å; N159-R163 WeakPolarHBondContact O-CG 3.43Å; N159-R163 PolarHBondContact O-N 3.39Å; C160-R163 PolarHBondContact O-N 2.93Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 2.95Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 2.97Å; R163-R166 PolarHBondContact O-N 3.19Å; R163-L167 WeakPolarHBondContact O-CG 3.47Å; R163-L167 PolarHBondContact O-N 3.02Å; R163-L208 HydrophobicContact CB-CD1 4Å; R163-L208 HydrophobicContact CB-CD2 3.62Å; R163-L208 HydrophobicContact CB-CG 4.48Å; R163-L208 VanDerWaalsContact CD-CD2 3.48Å; R163-L208 HydrophobicContact CG-CD2 4.12Å; R163-L208 VanDerWaalsContact NE-CD2 3.35Å; R163-E212 IonicContact NH2-OE1 3.1Å; R163-E212 PolarHBondContact NH2-OE1 3.5Å; R163-E212 VanDerWaalsContact NH2-OE1 3.1Å
164V96.7Very high95Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-58.1-45.9172.1169.40000110.9C160 L161 R166 L167 L168 I180 L208 F211 V232C160-V164 WeakPolarHBondContact O-CG2 3.29Å; C160-V164 PolarHBondContact O-N 2.87Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.15Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 2.91Å; V164-L167 PolarHBondContact O-N 3.25Å; V164-L167 VanDerWaalsContact O-N 3.17Å; V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 4.43Å; V164-L168 WeakPolarHBondContact O-CG 3.41Å; V164-L168 PolarHBondContact O-N 2.7Å; V164-I180 HydrophobicContact CB-CD1 4.2Å; V164-I180 HydrophobicContact CG1-CD1 4.12Å; V164-L208 HydrophobicContact CG2-CD1 3.69Å; V164-F211 HydrophobicContact CG1-CE1 4.03Å; V164-F211 HydrophobicContact CG1-CZ 4.05Å; V164-F211 HydrophobicContact CG2-CD1 4.16Å; V164-F211 HydrophobicContact CG2-CE1 4.33Å; V164-V232 HydrophobicContact CG1-CG1 4.48Å; V164-V232 HydrophobicContact CG1-CG2 4.11Å; V164-V232 HydrophobicContact CG2-CG1 4.21Å; V164-V232 HydrophobicContact CG2-CG2 4.29Å
165A96Very high94.8Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-57.3-43177.700000111.8L161 R163 L168 Q169 L170 P176 I180L161-A165 PolarHBondContact O-N 3.21Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 2.97Å; A165-L168 CarbonylContact O-C 3.48Å; A165-L168 PolarHBondContact O-N 2.6Å; A165-Q169 PolarHBondContact O-N 2.77Å; A165-L170 HydrophobicContact CB-CB 4.15Å; A165-L170 HydrophobicContact CB-CD1 4.45Å; A165-L170 PolarHBondContact O-N 2.8Å; A165-P176 HydrophobicContact CB-CB 3.57Å; A165-I180 HydrophobicContact CB-CD1 3.85Å; A165-I180 HydrophobicContact CB-CG1 4.08Å
166R93.7Very high94.6Very high65 Ų6540.5 Ų40.525%0.24521%0.212CC..Hα-helixtrans-63.9-43.5176.2-75.4-179.9-74.7-127.8-10.7112.9G37 D162 R163 V164 L168 Q169G37-R166 VanDerWaalsContact O-CD 3.28Å; G37-R166 WeakPolarHBondContact O-CD 3.46Å; D162-R166 WeakPolarHBondContact O-CG 3.11Å; D162-R166 PolarHBondContact O-N 3.03Å; D162-R166 PolarHBondContact O-NE 3.33Å; R163-R166 PolarHBondContact O-N 3.19Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 2.91Å; R166-L168 PolarHBondContact O-N 3.27Å; R166-Q169 PolarHBondContact O-N 3.46Å; R166-Q169 VanDerWaalsContact O-N 3.07Å
167L94Very high94.4Very high67 Ų6741.1 Ų41.135%0.35122%0.219SC..Hα-helixtrans-61-36.6177.1-68.6164.5000111.8R163 V164 Q169 L208 F211 E212R163-L167 WeakPolarHBondContact O-CG 3.47Å; R163-L167 PolarHBondContact O-N 3.02Å; V164-L167 PolarHBondContact O-N 3.25Å; V164-L167 VanDerWaalsContact O-N 3.17Å; L167-Q169 VanDerWaalsContact C-N 3.29Å; L167-L208 HydrophobicContact CD1-CD1 4.04Å; L167-F211 HydrophobicContact CD1-CD1 4.13Å; L167-F211 HydrophobicContact CD1-CE1 4.28Å; L167-E212 HydrophobicContact CD1-CG 3.28Å; L167-E212 HydrophobicContact CD2-CG 4Å; L167-E212 HydrophobicContact CG-CG 4.28Å
168L94.9Very high94.2Very high20 Ų2045.4 Ų45.411%0.10524%0.236CC..THydrogen-bonded Turntrans-86.84.1177.8-61.6176.5000113.5V164 A165 R166 L170 F211 L215 V225 L228V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 4.43Å; V164-L168 WeakPolarHBondContact O-CG 3.41Å; V164-L168 PolarHBondContact O-N 2.7Å; A165-L168 CarbonylContact O-C 3.48Å; A165-L168 PolarHBondContact O-N 2.6Å; R166-L168 PolarHBondContact O-N 3.27Å; L168-L170 HydrophobicContact CB-CG 4.08Å; L168-L170 PolarHBondContact O-N 2.55Å; L168-F211 HydrophobicContact CD1-CZ 4.13Å; L168-F211 HydrophobicContact CD2-CZ 4.14Å; L168-F211 HydrophobicContact CG-CZ 4.29Å; L168-L215 HydrophobicContact CD2-CD1 4.02Å; L168-V225 HydrophobicContact CB-CG1 4.36Å; L168-V225 HydrophobicContact CD1-CG1 4.27Å; L168-L228 HydrophobicContact CD1-CB 4.32Å; L168-L228 HydrophobicContact CD2-CD1 3.8Å
169Q93.4Very high94.2Very high170 Ų17046.2 Ų46.279%0.79424%0.24SC*.THydrogen-bonded Turntrans52.833.7-177-56.1-172.12.200114.2A165 R166 L167A165-Q169 PolarHBondContact O-N 2.77Å; R166-Q169 PolarHBondContact O-N 3.46Å; R166-Q169 VanDerWaalsContact O-N 3.07Å; L167-Q169 VanDerWaalsContact C-N 3.29Å
170L94.9Very high94.3Very high15 Ų1543.7 Ų43.78%0.07923%0.226CC..  trans-72.3150173.9-64-178.8000111.1A165 L168 I180 M183 V225A165-L170 HydrophobicContact CB-CB 4.15Å; A165-L170 HydrophobicContact CB-CD1 4.45Å; A165-L170 PolarHBondContact O-N 2.8Å; L168-L170 HydrophobicContact CB-CG 4.08Å; L168-L170 PolarHBondContact O-N 2.55Å; L170-I180 HydrophobicContact CD1-CG1 3.73Å; L170-M183 HydrophobicContact CD1-CG 4.37Å; L170-M183 HydrophobicContact CD2-CG 4Å; L170-V225 HydrophobicContact CD2-CG1 4.03Å
171P93.3Very high94.4Very high63 Ų6345 Ų4541%0.40923%0.232SC..  trans-65.7152.1178.421.5-26.4000112N179P171-N179 HydrophobicContact CG-CB 4.48Å; P171-N179 PolarHBondContact O-ND2 2.74Å
172N91.6Very high94.4Very high17 Ų1748.2 Ų48.29%0.09125%0.247CC..  trans-88.7-7.6175.3-74.6-18.6000113.3V33 A34 P35 E38 P174 S175 P176V33-N172 HydrophobicContact CG1-CB 4.21Å; A34-N172 PolarHBondContact O-ND2 3.28Å; P35-N172 PolarHBondContact O-ND2 3.18Å; E38-N172 PolarHBondContact O-ND2 3.16Å; N172-P174 CarbonylContact O-C 3.37Å; N172-S175 CarbonylContact O-C 3.56Å; N172-S175 WeakPolarHBondContact O-CA 3.33Å; N172-S175 PolarHBondContact O-N 2.91Å; N172-P176 HydrophobicContact CB-CG 4.44Å; N172-P176 WeakPolarHBondContact OD1-CG 3.35Å
173D91.4Very high94.5Very high111 Ų11149 Ų4959%0.59425%0.25SS*.SBendtrans-104.6131.2-179-170.644.7000110.3V33 N179V33-D173 HydrophobicContact CG1-CB 4.34Å; D173-N179 PolarHBondContact O-ND2 3.44Å
174P90Very high94.6Very high77 Ų7744.9 Ų44.950%0.524%0.236SC..SBendcis-72.7-27-4.530.9-35.6000113.6N172 Y178N172-P174 CarbonylContact O-C 3.37Å; P174-Y178 HydrophobicContact CG-CD1 3.58Å; P174-Y178 HydrophobicContact CG-CE1 4.09Å; P174-Y178 HydrophobicContact CG-CG 3.99Å
175S91.4Very high94.7Very high40 Ų4049.1 Ų49.128%0.2827%0.266SS..  trans-156.7153.6168.770.40000110.4N172 G177 Y178 N179N172-S175 CarbonylContact O-C 3.56Å; N172-S175 WeakPolarHBondContact O-CA 3.33Å; N172-S175 PolarHBondContact O-N 2.91Å; S175-G177 VanDerWaalsContact C-N 3.31Å; S175-G177 PolarHBondContact O-N 3.41Å; S175-Y178 PolarHBondContact O-N 2.94Å; S175-Y178 VanDerWaalsContact OG-CB 3.29Å; S175-Y178 WeakPolarHBondContact OG-CB 3.45Å; S175-Y178 PolarHBondContact OG-N 2.84Å; S175-Y178 VanDerWaalsContact OG-N 3.16Å; S175-N179 PolarHBondContact O-N 2.65Å; S175-N179 PolarHBondContact O-ND2 3.21Å
176P93Very high94.8Very high20 Ų2054.9 Ų54.913%0.1329%0.291CS..Hα-helixtrans-61.1-40.9176.8-14.925.9000112D162 A165 N172 Y178 N179 I180D162-P176 HydrophobicContact CB-CB 4.47Å; D162-P176 HydrophobicContact CB-CG 4.46Å; D162-P176 WeakPolarHBondContact OD1-CB 3.47Å; D162-P176 WeakPolarHBondContact OD1-CG 3.22Å; A165-P176 HydrophobicContact CB-CB 3.57Å; N172-P176 HydrophobicContact CB-CG 4.44Å; N172-P176 WeakPolarHBondContact OD1-CG 3.35Å; P176-Y178 PolarHBondContact O-N 2.78Å; P176-N179 PolarHBondContact O-N 3.31Å; P176-I180 PolarHBondContact O-N 2.57Å
177G94.3Very high94.9Very high19 Ų1952.5 Ų52.520%0.19629%0.286CS..Hα-helixtrans-59.5-43.7177.200000113.5S175 N179 I180 E181S175-G177 VanDerWaalsContact C-N 3.31Å; S175-G177 PolarHBondContact O-N 3.41Å; G177-N179 VanDerWaalsContact C-N 3.34Å; G177-N179 PolarHBondContact O-N 2.85Å; G177-I180 PolarHBondContact O-N 2.88Å; G177-E181 PolarHBondContact O-N 3.5Å
178Y93.8Very high95.1Very high90 Ų9058.4 Ų58.435%0.35331%0.309SS..Hα-helixtrans-62.5-41.8175.1179.4-96000111.6P174 S175 P176 I180 E181 Q182P174-Y178 HydrophobicContact CG-CD1 3.58Å; P174-Y178 HydrophobicContact CG-CE1 4.09Å; P174-Y178 HydrophobicContact CG-CG 3.99Å; S175-Y178 PolarHBondContact O-N 2.94Å; S175-Y178 VanDerWaalsContact OG-CB 3.29Å; S175-Y178 WeakPolarHBondContact OG-CB 3.45Å; S175-Y178 PolarHBondContact OG-N 2.84Å; S175-Y178 VanDerWaalsContact OG-N 3.16Å; P176-Y178 PolarHBondContact O-N 2.78Å; Y178-I180 PolarHBondContact O-N 2.92Å; Y178-E181 VanDerWaalsContact O-CB 3.32Å; Y178-E181 WeakPolarHBondContact O-CB 3.29Å; Y178-E181 PolarHBondContact O-N 3.47Å; Y178-E181 VanDerWaalsContact O-N 3.12Å; Y178-Q182 HydrophobicContact CD1-CG 3.97Å; Y178-Q182 HydrophobicContact CE1-CG 3.57Å; Y178-Q182 HydrophobicContact CE2-CG 4.44Å; Y178-Q182 VanDerWaalsContact CE2-NE2 3.32Å; Y178-Q182 WeakPolarHBondContact O-CG 3.07Å; Y178-Q182 PolarHBondContact O-N 3.43Å; Y178-Q182 PolarHBondContact OH-NE2 2.77Å
179N96Very high95.2Very high20 Ų2062.4 Ų62.411%0.10732%0.323CS..Hα-helixtrans-68.1-34.9179.4-69.3-39.8000112.6P171 D173 S175 P176 G177 E181 Q182 M183P171-N179 HydrophobicContact CG-CB 4.48Å; P171-N179 PolarHBondContact O-ND2 2.74Å; D173-N179 PolarHBondContact O-ND2 3.44Å; S175-N179 PolarHBondContact O-N 2.65Å; S175-N179 PolarHBondContact O-ND2 3.21Å; P176-N179 PolarHBondContact O-N 3.31Å; G177-N179 VanDerWaalsContact C-N 3.34Å; G177-N179 PolarHBondContact O-N 2.85Å; N179-E181 VanDerWaalsContact C-N 3.33Å; N179-Q182 PolarHBondContact O-N 3.37Å; N179-M183 WeakPolarHBondContact O-CG 3.39Å; N179-M183 PolarHBondContact O-N 3.29Å; N179-M183 VanDerWaalsContact O-N 3.08Å
180I97.5Very high95.4Very high0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-60-44.7168.8-71.7177.9000110.5L161 V164 A165 L170 P176 G177 Y178 Q182 M183 A184 C229 Q233L161-I180 HydrophobicContact CB-CD1 4.05Å; L161-I180 HydrophobicContact CD2-CD1 4.2Å; L161-I180 HydrophobicContact CD2-CG2 4.39Å; L161-I180 WeakPolarHBondContact O-CD1 3.34Å; V164-I180 HydrophobicContact CB-CD1 4.2Å; V164-I180 HydrophobicContact CG1-CD1 4.12Å; A165-I180 HydrophobicContact CB-CD1 3.85Å; A165-I180 HydrophobicContact CB-CG1 4.08Å; L170-I180 HydrophobicContact CD1-CG1 3.73Å; P176-I180 PolarHBondContact O-N 2.57Å; G177-I180 PolarHBondContact O-N 2.88Å; Y178-I180 PolarHBondContact O-N 2.92Å; I180-Q182 PolarHBondContact O-N 3Å; I180-M183 PolarHBondContact O-N 3.04Å; I180-A184 WeakPolarHBondContact O-CB 3.38Å; I180-A184 PolarHBondContact O-N 2.98Å; I180-C229 HydrophobicContact CG2-CB 3.98Å; I180-Q233 HydrophobicContact CG2-CG 3.95Å
181E97.6Very high95.5Very high28 Ų2859 Ų5913%0.13131%0.311CS..Hα-helixtrans-59.7-45.7178.1-175.3175.2-173.100112.9G177 Y178 N179 M183 A184 S185 N265 L266G177-E181 PolarHBondContact O-N 3.5Å; Y178-E181 VanDerWaalsContact O-CB 3.32Å; Y178-E181 WeakPolarHBondContact O-CB 3.29Å; Y178-E181 PolarHBondContact O-N 3.47Å; Y178-E181 VanDerWaalsContact O-N 3.12Å; N179-E181 VanDerWaalsContact C-N 3.33Å; E181-M183 VanDerWaalsContact C-N 3.31Å; E181-M183 PolarHBondContact O-N 3.32Å; E181-A184 PolarHBondContact O-N 3.44Å; E181-S185 PolarHBondContact O-N 3.42Å; E181-N265 WeakPolarHBondContact CB-ND2 3.49Å; E181-N265 VanDerWaalsContact CG-ND2 3.34Å; E181-N265 WeakPolarHBondContact CG-ND2 3.31Å; E181-N265 PolarHBondContact OE2-ND2 2.78Å; E181-N265 VanDerWaalsContact OE2-ND2 3.12Å; E181-L266 WeakPolarHBondContact OE1-CB 3.47Å; E181-L266 PolarHBondContact OE1-N 3.06Å
182Q97.7Very high95.6Very high70 Ų7066.3 Ų66.333%0.32733%0.331SS..Hα-helixtrans-63.5-38.1177.9-63.2-52.8-38.900112.2Y178 N179 I180 S185Y178-Q182 HydrophobicContact CD1-CG 3.97Å; Y178-Q182 HydrophobicContact CE1-CG 3.57Å; Y178-Q182 HydrophobicContact CE2-CG 4.44Å; Y178-Q182 VanDerWaalsContact CE2-NE2 3.32Å; Y178-Q182 WeakPolarHBondContact O-CG 3.07Å; Y178-Q182 PolarHBondContact O-N 3.43Å; Y178-Q182 PolarHBondContact OH-NE2 2.77Å; N179-Q182 PolarHBondContact O-N 3.37Å; I180-Q182 PolarHBondContact O-N 3Å; Q182-S185 PolarHBondContact O-OG 3.3Å
183M97.8Very high95.9Very high45 Ų4566.4 Ų66.422%0.22233%0.331CS..Hα-helixtrans-71.3-43.1175-67.1-56.2122.100111.9L170 N179 I180 E181 S185 K186 E226 C229L170-M183 HydrophobicContact CD1-CG 4.37Å; L170-M183 HydrophobicContact CD2-CG 4Å; N179-M183 WeakPolarHBondContact O-CG 3.39Å; N179-M183 PolarHBondContact O-N 3.29Å; N179-M183 VanDerWaalsContact O-N 3.08Å; I180-M183 PolarHBondContact O-N 3.04Å; E181-M183 VanDerWaalsContact C-N 3.31Å; E181-M183 PolarHBondContact O-N 3.32Å; M183-S185 PolarHBondContact O-N 2.9Å; M183-K186 PolarHBondContact O-N 2.84Å; M183-K186 VanDerWaalsContact O-N 3.08Å; M183-E226 WeakPolarHBondContact O-CA 3.38Å; M183-E226 VanDerWaalsContact O-CB 3.26Å; M183-E226 WeakPolarHBondContact O-CB 3.17Å; M183-E226 WeakPolarHBondContact O-CG 3.33Å; M183-E226 HydrophobicContact SD-CG 4.29Å; M183-C229 HydrophobicContact CB-CB 3.88Å
184A98.3Very high96.1Very high5 Ų563.3 Ų63.34%0.04132%0.317CS..Hα-helixtrans-58.5-36.1179.400000112.3I180 E181 K186 G187 C229 F230 Q233I180-A184 WeakPolarHBondContact O-CB 3.38Å; I180-A184 PolarHBondContact O-N 2.98Å; E181-A184 PolarHBondContact O-N 3.44Å; A184-K186 PolarHBondContact O-N 3.34Å; A184-G187 PolarHBondContact O-N 3.06Å; A184-C229 HydrophobicContact CB-CB 3.97Å; A184-F230 HydrophobicContact CB-CB 4.37Å; A184-Q233 HydrophobicContact CB-CG 4.23Å; A184-Q233 VanDerWaalsContact CB-OE1 3.28Å
185S97.3Very high96.5Very high89 Ų8964.7 Ų64.762%0.62231%0.313SS*.THydrogen-bonded Turntrans-59.3-19.1177.775.50000114.5E181 Q182 M183E181-S185 PolarHBondContact O-N 3.42Å; Q182-S185 PolarHBondContact O-OG 3.3Å; M183-S185 PolarHBondContact O-N 2.9Å
186K97.8Very high96.7Very high122 Ų12264.4 Ų64.453%0.5331%0.309SS..THydrogen-bonded Turntrans-102.9-10.6-179.5-61.1171.9-169.1171.90112.8M183 A184 E226M183-K186 PolarHBondContact O-N 2.84Å; M183-K186 VanDerWaalsContact O-N 3.08Å; A184-K186 PolarHBondContact O-N 3.34Å; K186-E226 HydrophobicContact CB-CB 4Å; K186-E226 HydrophobicContact CB-CG 3.7Å; K186-E226 HydrophobicContact CD-CG 4.27Å
187G97.6Very high96.9Very high14 Ų1464.9 Ų64.914%0.14431%0.312CS..  trans-67.8147.1178.500000111.3A184A184-G187 PolarHBondContact O-N 3.06Å
188K96.7Very high97Very high191 Ų19169.7 Ų69.783%0.8333%0.327SS*.  trans-129.9-17.5-177.7-61.9-176.3-177.3179.40113D227K188-D227 PolarHBondContact N-OD1 2.99Å
189R97.8Very high97.2Very high105 Ų10567.5 Ų67.540%0.39633%0.332SS..  trans-114.6124-174.9-162.2175.8170.1-166.5-9.9110.6E221 F223 D227 T231R189-E221 PolarHBondContact NH1-O 3.18Å; R189-E221 IonicContact NH2-OE2 3.42Å; R189-E221 PolarHBondContact NH2-OE2 2.82Å; R189-F223 HydrophobicContact CB-CD1 4.42Å; R189-F223 HydrophobicContact CB-CE1 3.98Å; R189-F223 HydrophobicContact CB-CZ 4.41Å; R189-F223 HydrophobicContact CG-CD1 4.49Å; R189-F223 HydrophobicContact CG-CE1 3.75Å; R189-F223 HydrophobicContact CG-CE2 4.36Å; R189-F223 HydrophobicContact CG-CZ 3.68Å; R189-D227 HydrophobicContact CB-CB 4.2Å; R189-D227 PolarHBondContact N-OD1 3.02Å; R189-T231 PolarHBondContact O-OG1 2.88Å
190L97.5Very high97.2Very high107 Ų10768.7 Ų68.756%0.5634%0.337SS*.  trans-90115.7175.8-175.860.1000110.3F230 T231 E234L190-F230 HydrophobicContact CB-CE1 3.98Å; L190-F230 HydrophobicContact CD1-CE1 4.27Å; L190-T231 HydrophobicContact CD1-CG2 4.23Å; L190-E234 HydrophobicContact CD1-CB 4.04Å; L190-E234 HydrophobicContact CD1-CG 4.35Å
191G96.6Very high97.3Very high7 Ų771.2 Ų71.27%0.07235%0.351CS..  trans-81.2168.9168.700000111.9T231G191-T231 PolarHBondContact N-OG1 2.85Å; G191-T231 WeakPolarHBondContact O-CG2 3.47Å
192R96.2Very high97.3Very high216 Ų21669.9 Ų69.982%0.81535%0.345SS*.  trans-102.2112.3174.3-74.1-174.8174.8178.6-1.3111K214R192-K214 PolarHBondContact O-NZ 3.15Å
193L96.9Very high97.3Very high19 Ų1967.2 Ų67.210%0.09933%0.334CS..  trans-107160.4170.1-65.8177.9000111Y195 L207 F211 F218 T231 V232 T235L193-Y195 PolarHBondContact O-N 3.36Å; L193-L207 HydrophobicContact CB-CG 4.45Å; L193-L207 HydrophobicContact CD1-CD2 4.36Å; L193-F211 HydrophobicContact CD1-CD2 4.01Å; L193-F211 HydrophobicContact CD2-CB 3.95Å; L193-F211 HydrophobicContact CD2-CD2 3.99Å; L193-F211 HydrophobicContact CD2-CG 4.49Å; L193-F218 HydrophobicContact CD2-CE2 3.97Å; L193-F218 HydrophobicContact CD2-CZ 4.25Å; L193-T231 HydrophobicContact CD1-CG2 3.81Å; L193-T231 HydrophobicContact CG-CG2 3.86Å; L193-V232 HydrophobicContact CD1-CB 4.46Å; L193-V232 HydrophobicContact CD1-CG2 3.72Å; L193-T235 HydrophobicContact CB-CG2 4.14Å
194P96.5Very high97.3Very high45 Ų4565.1 Ų65.129%0.29232%0.324SS..  trans-58.6129172.8-22.734.3000111.4V196P194-V196 HydrophobicContact CB-CG2 3.88Å
195Y97.3Very high97.1Very high106 Ų10666.6 Ų66.642%0.41634%0.336SS..  trans-104106173.9-169.2-81.6000108.9L193 V197 T235 A238 M239 E242L193-Y195 PolarHBondContact O-N 3.36Å; Y195-V197 HydrophobicContact CD1-CG2 4.19Å; Y195-V197 HydrophobicContact CE1-CB 4.2Å; Y195-V197 HydrophobicContact CE1-CG2 3.52Å; Y195-T235 HydrophobicContact CD2-CG2 4.2Å; Y195-A238 HydrophobicContact CE2-CB 3.84Å; Y195-A238 PolarHBondContact OH-O 3.1Å; Y195-M239 HydrophobicContact CD1-CG 4.17Å; Y195-M239 HydrophobicContact CD2-CG 3.65Å; Y195-M239 HydrophobicContact CD2-SD 4.44Å; Y195-M239 HydrophobicContact CE1-CG 3.97Å; Y195-M239 HydrophobicContact CE2-CB 4.35Å; Y195-M239 HydrophobicContact CE2-CG 3.42Å; Y195-M239 VanDerWaalsContact CE2-CG 3.42Å; Y195-M239 HydrophobicContact CG-CG 4.03Å; Y195-M239 WeakPolarHBondContact OH-CA 3.49Å; Y195-M239 PolarHBondContact OH-N 3.09Å; Y195-E242 WeakPolarHBondContact CE1-OE2 3.46Å; Y195-E242 PolarHBondContact OH-OE2 2.88Å
196V95.9Very high96.8Very high35 Ų3563.8 Ų63.821%0.21232%0.321CS..  trans-12275.7-164.6-164.40000111.8P194 S203 M239P194-V196 HydrophobicContact CB-CG2 3.88Å; V196-S203 PolarHBondContact O-N 3.5Å; V196-S203 VanDerWaalsContact O-N 3.12Å; V196-M239 HydrophobicContact CB-CE 4.43Å; V196-M239 VanDerWaalsContact O-CE 3.26Å; V196-M239 WeakPolarHBondContact O-CE 3.37Å
197V97.9Very high96.6Very high30 Ų3058 Ų5818%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-99.1132.5169.81760000109.5Y195 M239 V243Y195-V197 HydrophobicContact CD1-CG2 4.19Å; Y195-V197 HydrophobicContact CE1-CB 4.2Å; Y195-V197 HydrophobicContact CE1-CG2 3.52Å; V197-M239 HydrophobicContact CG2-CB 3.88Å; V197-M239 HydrophobicContact CG2-CE 4.49Å; V197-M239 HydrophobicContact CG2-CG 3.92Å; V197-V243 HydrophobicContact CG1-CG1 3.69Å; V197-V243 HydrophobicContact CG2-CG1 4.38Å
198K97.2Very high96.6Very high120 Ų12057.3 Ų57.352%0.52229%0.289SS..EExtended strand (participates in β ladder)trans-127.292.3179.1-64.8-173.3-171.6172.20109.8L153 M200 D201L153-K198 HydrophobicContact CD1-CB 4.48Å; L153-K198 HydrophobicContact CD1-CD 3.74Å; K198-M200 PolarHBondContact O-N 3.19Å; K198-D201 PolarHBondContact N-O 2.98Å; K198-D201 WeakPolarHBondContact O-CB 3.44Å; K198-D201 PolarHBondContact O-N 3.3Å
199G97.1Very high96.5Very high44 Ų4450.8 Ų50.845%0.45427%0.267SS..THydrogen-bonded Turntrans66.4-117.1-174.100000110.4R246G199-R246 VanDerWaalsContact O-CD 3.29Å; G199-R246 WeakPolarHBondContact O-CD 3.39Å; G199-R246 PolarHBondContact O-NH1 2.99Å
200M97.1Very high96.4Very high44 Ų4446.3 Ų46.322%0.21725%0.253CS..THydrogen-bonded Turntrans-96.9-1.6171.9-68.7-171.9-76.600112.9Y149 G150 K198 V243 R246 A247 Q250Y149-M200 HydrophobicContact CD2-SD 4.41Å; Y149-M200 VanDerWaalsContact O-CB 3.24Å; Y149-M200 WeakPolarHBondContact O-CB 3.46Å; Y149-M200 VanDerWaalsContact O-CE 3.26Å; Y149-M200 WeakPolarHBondContact O-CE 3.33Å; G150-M200 VanDerWaalsContact CA-O 3.22Å; G150-M200 WeakPolarHBondContact CA-O 3.14Å; K198-M200 PolarHBondContact O-N 3.19Å; M200-V243 WeakPolarHBondContact O-CG1 3.36Å; M200-R246 HydrophobicContact CG-CB 4.27Å; M200-A247 HydrophobicContact SD-CB 4.47Å; M200-Q250 PolarHBondContact SD-OE1 3Å
201D98.3Very high96.4Very high53 Ų5341.2 Ų41.228%0.28323%0.227SC..EExtended strand (participates in β ladder)trans-96164.1-179.4-59.6-38.9000112.3G150 E151 L153 K198G150-D201 WeakPolarHBondContact CA-OD1 3.19Å; E151-D201 PolarHBondContact N-OD1 2.93Å; E151-D201 WeakPolarHBondContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CB 3.33Å; L153-D201 HydrophobicContact CD1-CB 4.15Å; L153-D201 HydrophobicContact CD2-CB 3.86Å; L153-D201 HydrophobicContact CG-CB 3.88Å; K198-D201 PolarHBondContact N-O 2.98Å; K198-D201 WeakPolarHBondContact O-CB 3.44Å; K198-D201 PolarHBondContact O-N 3.3Å
202M97.7Very high96.3Very high0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-134.5158.8-179.3-60.9167.9-74.200111.4T136 E151 T152 L153 F204 M239 L240 V243T136-M202 HydrophobicContact CG2-CE 3.56Å; E151-M202 PolarHBondContact O-N 3.47Å; E151-M202 VanDerWaalsContact O-N 3.14Å; T152-M202 CarbonylContact C-O 3.59Å; T152-M202 WeakPolarHBondContact CA-O 3.4Å; L153-M202 PolarHBondContact N-O 3.29Å; M202-F204 HydrophobicContact CB-CE2 3.88Å; M202-F204 HydrophobicContact CB-CZ 3.96Å; M202-F204 HydrophobicContact CE-CE2 4.39Å; M202-F204 HydrophobicContact CE-CZ 4.35Å; M202-F204 HydrophobicContact CG-CZ 4.46Å; M202-F204 HydrophobicContact SD-CE2 4.3Å; M202-F204 HydrophobicContact SD-CZ 3.76Å; M202-M239 HydrophobicContact CB-CE 4.15Å; M202-M239 HydrophobicContact CG-CE 4.46Å; M202-M239 HydrophobicContact SD-CB 4.41Å; M202-L240 HydrophobicContact CE-CD2 3.7Å; M202-L240 HydrophobicContact SD-CD2 3.61Å; M202-L240 HydrophobicContact SD-CG 4.19Å; M202-V243 HydrophobicContact CE-CG2 3.62Å; M202-V243 HydrophobicContact CG-CG1 3.68Å; M202-V243 HydrophobicContact CG-CG2 4.15Å; M202-V243 HydrophobicContact SD-CB 4.41Å; M202-V243 HydrophobicContact SD-CG1 4.09Å; M202-V243 HydrophobicContact SD-CG2 3.45Å; M202-V243 WeakPolarHBondContact SD-CG2 3.45Å
203S97.1Very high96.3Very high15 Ų1540.1 Ų40.111%0.10523%0.233CC..  trans-134.1122.7172.3168.80000109.8D154 V196D154-S203 WeakPolarHBondContact OD2-CA 3.38Å; D154-S203 VanDerWaalsContact OD2-CB 3.31Å; D154-S203 WeakPolarHBondContact OD2-CB 3.46Å; D154-S203 PolarHBondContact OD2-OG 3.38Å; V196-S203 PolarHBondContact O-N 3.5Å; V196-S203 VanDerWaalsContact O-N 3.12Å
204F98Very high96.3Very high0 Ų043.1 Ų43.10%025%0.246CC..  trans-106.7-18.4-178.5-61.2-74.2000112.3T136 D154 I155 V157 C160 M202 G206 L207 L208 V236 M239 L240T136-F204 HydrophobicContact CG2-CE2 3.81Å; T136-F204 HydrophobicContact CG2-CZ 4.28Å; D154-F204 PolarHBondContact OD1-N 3.45Å; D154-F204 PolarHBondContact OD2-N 3.46Å; I155-F204 HydrophobicContact CD1-CB 4.4Å; I155-F204 HydrophobicContact CG1-CB 3.87Å; I155-F204 WeakPolarHBondContact O-CD2 3.45Å; V157-F204 HydrophobicContact CB-CD2 4.41Å; V157-F204 HydrophobicContact CB-CE1 4.18Å; V157-F204 HydrophobicContact CB-CE2 4.04Å; V157-F204 HydrophobicContact CB-CZ 3.91Å; V157-F204 HydrophobicContact CG2-CD1 4.31Å; V157-F204 HydrophobicContact CG2-CE1 3.91Å; V157-F204 HydrophobicContact CG2-CZ 4.1Å; C160-F204 HydrophobicContact CB-CB 3.97Å; M202-F204 HydrophobicContact CB-CE2 3.88Å; M202-F204 HydrophobicContact CB-CZ 3.96Å; M202-F204 HydrophobicContact CE-CE2 4.39Å; M202-F204 HydrophobicContact CE-CZ 4.35Å; M202-F204 HydrophobicContact CG-CZ 4.46Å; M202-F204 HydrophobicContact SD-CE2 4.3Å; M202-F204 HydrophobicContact SD-CZ 3.76Å; F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 2.88Å; F204-L207 PolarHBondContact O-N 3.23Å; F204-L208 WeakPolarHBondContact O-CB 3.08Å; F204-L208 PolarHBondContact O-N 2.95Å; F204-V236 HydrophobicContact CD1-CB 4.43Å; F204-V236 HydrophobicContact CD1-CG1 4.07Å; F204-V236 HydrophobicContact CE1-CB 4.07Å; F204-V236 HydrophobicContact CE1-CG1 4.21Å; F204-M239 HydrophobicContact CD1-CE 4.24Å; F204-M239 HydrophobicContact CE1-CE 3.91Å; F204-M239 HydrophobicContact CE1-SD 4.49Å; F204-M239 HydrophobicContact CZ-CE 4.46Å; F204-L240 HydrophobicContact CZ-CD2 4.11Å; F204-L240 HydrophobicContact CZ-CG 4.41Å
205A95.3Very high96.2Very high37 Ų3742.3 Ų42.331%0.30624%0.239SC..Hα-helixtrans-62.2-41.7176.100000111.7D154 L208 S209D154-A205 HydrophobicContact CB-CB 3.89Å; D154-A205 VanDerWaalsContact CG-CB 3.43Å; D154-A205 VanDerWaalsContact CG-N 3.34Å; D154-A205 PolarHBondContact OD1-N 2.91Å; D154-A205 VanDerWaalsContact OD2-CB 3.26Å; D154-A205 WeakPolarHBondContact OD2-CB 3.19Å; D154-A205 PolarHBondContact OD2-N 3Å; A205-L208 PolarHBondContact O-N 3.45Å; A205-S209 PolarHBondContact O-N 2.78Å; A205-S209 PolarHBondContact O-OG 3.37Å
206G89.4Confident96.1Very high29 Ų2940.5 Ų40.530%0.29925%0.246SC..Hα-helixtrans-67.8-33.8176.800000113.5F204 S209 G210F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 2.88Å; G206-S209 PolarHBondContact O-OG 2.62Å; G206-G210 PolarHBondContact O-N 2.75Å
207L95.5Very high96.2Very high0 Ų042.1 Ų42.10%026%0.256CS..Hα-helixtrans-66.8-44.9173-178.6152.6000110.6L193 F204 G210 F211 T235 V236 M239L193-L207 HydrophobicContact CB-CG 4.45Å; L193-L207 HydrophobicContact CD1-CD2 4.36Å; F204-L207 PolarHBondContact O-N 3.23Å; L207-G210 PolarHBondContact O-N 3.04Å; L207-F211 WeakPolarHBondContact O-CB 3.41Å; L207-F211 PolarHBondContact O-N 2.9Å; L207-T235 HydrophobicContact CD1-CG2 3.58Å; L207-V236 HydrophobicContact CD1-CG1 3.58Å; L207-V236 HydrophobicContact CD2-CG1 3.9Å; L207-V236 HydrophobicContact CG-CG1 4.42Å; L207-M239 HydrophobicContact CD1-SD 4.03Å
208L96.8Very high96.1Very high1 Ų141.2 Ų41.21%0.00525%0.249CC..Hα-helixtrans-65.2-47.4179.9178.961.5000112.5I155 R163 V164 L167 F204 A205 G210 F211 E212I155-L208 HydrophobicContact CD1-CD2 3.87Å; R163-L208 HydrophobicContact CB-CD1 4Å; R163-L208 HydrophobicContact CB-CD2 3.62Å; R163-L208 HydrophobicContact CB-CG 4.48Å; R163-L208 VanDerWaalsContact CD-CD2 3.48Å; R163-L208 HydrophobicContact CG-CD2 4.12Å; R163-L208 VanDerWaalsContact NE-CD2 3.35Å; V164-L208 HydrophobicContact CG2-CD1 3.69Å; L167-L208 HydrophobicContact CD1-CD1 4.04Å; F204-L208 WeakPolarHBondContact O-CB 3.08Å; F204-L208 PolarHBondContact O-N 2.95Å; A205-L208 PolarHBondContact O-N 3.45Å; L208-G210 VanDerWaalsContact C-N 3.32Å; L208-G210 PolarHBondContact O-N 3.16Å; L208-F211 WeakPolarHBondContact O-CB 3.43Å; L208-F211 PolarHBondContact O-N 3.08Å; L208-E212 WeakPolarHBondContact O-CG 3.2Å; L208-E212 PolarHBondContact O-N 2.9Å
209S95Very high96Very high53 Ų5341.2 Ų41.237%0.37125%0.251SS..Hα-helixtrans-64.5-40.1175.862.70000111.1A205 G206 F211 E212 D213A205-S209 PolarHBondContact O-N 2.78Å; A205-S209 PolarHBondContact O-OG 3.37Å; G206-S209 PolarHBondContact O-OG 2.62Å; S209-F211 VanDerWaalsContact C-N 3.26Å; S209-F211 PolarHBondContact O-N 2.98Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.44Å; S209-D213 VanDerWaalsContact O-CG 3.3Å; S209-D213 PolarHBondContact O-N 3.37Å
210G95Very high95.9Very high11 Ų1143.9 Ų43.911%0.11326%0.263CS..Hα-helixtrans-64.7-29.6174.800000113.6G206 L207 L208 K214G206-G210 PolarHBondContact O-N 2.75Å; L207-G210 PolarHBondContact O-N 3.04Å; L208-G210 VanDerWaalsContact C-N 3.32Å; L208-G210 PolarHBondContact O-N 3.16Å; G210-K214 WeakPolarHBondContact O-CB 3.44Å; G210-K214 VanDerWaalsContact O-CG 3.3Å; G210-K214 WeakPolarHBondContact O-CG 3.43Å; G210-K214 PolarHBondContact O-N 2.75Å
211F96.8Very high95.9Very high0 Ų046.4 Ų46.40%027%0.274CS..Hα-helixtrans-70.6-47.8170.5176.5-92.2000111.2V164 L167 L168 L193 L207 L208 S209 D213 K214 L215 L228 V232V164-F211 HydrophobicContact CG1-CE1 4.03Å; V164-F211 HydrophobicContact CG1-CZ 4.05Å; V164-F211 HydrophobicContact CG2-CD1 4.16Å; V164-F211 HydrophobicContact CG2-CE1 4.33Å; L167-F211 HydrophobicContact CD1-CD1 4.13Å; L167-F211 HydrophobicContact CD1-CE1 4.28Å; L168-F211 HydrophobicContact CD1-CZ 4.13Å; L168-F211 HydrophobicContact CD2-CZ 4.14Å; L168-F211 HydrophobicContact CG-CZ 4.29Å; L193-F211 HydrophobicContact CD1-CD2 4.01Å; L193-F211 HydrophobicContact CD2-CB 3.95Å; L193-F211 HydrophobicContact CD2-CD2 3.99Å; L193-F211 HydrophobicContact CD2-CG 4.49Å; L207-F211 WeakPolarHBondContact O-CB 3.41Å; L207-F211 PolarHBondContact O-N 2.9Å; L208-F211 WeakPolarHBondContact O-CB 3.43Å; L208-F211 PolarHBondContact O-N 3.08Å; S209-F211 VanDerWaalsContact C-N 3.26Å; S209-F211 PolarHBondContact O-N 2.98Å; F211-D213 PolarHBondContact O-N 3.44Å; F211-K214 PolarHBondContact O-N 3.36Å; F211-L215 HydrophobicContact CE1-CD1 4.32Å; F211-L215 HydrophobicContact CZ-CD1 4.16Å; F211-L215 PolarHBondContact O-N 2.92Å; F211-L228 HydrophobicContact CE2-CB 4.04Å; F211-L228 HydrophobicContact CE2-CD2 3.94Å; F211-L228 HydrophobicContact CE2-CG 4.45Å; F211-L228 HydrophobicContact CZ-CB 4.16Å; F211-L228 HydrophobicContact CZ-CD1 4.42Å; F211-L228 HydrophobicContact CZ-CD2 4.42Å; F211-V232 HydrophobicContact CD2-CG2 3.53Å; F211-V232 HydrophobicContact CE2-CG2 3.55Å; F211-V232 HydrophobicContact CG-CG2 4.29Å; F211-V232 HydrophobicContact CZ-CG2 4.32Å
212E95.9Very high95.9Very high68 Ų6846.3 Ų46.332%0.31829%0.286SS..Hα-helixtrans-54.5-49.3175.7-75.5172.9-171.800111.1R163 L167 L208 S209 K214 L215R163-E212 IonicContact NH2-OE1 3.1Å; R163-E212 PolarHBondContact NH2-OE1 3.5Å; R163-E212 VanDerWaalsContact NH2-OE1 3.1Å; L167-E212 HydrophobicContact CD1-CG 3.28Å; L167-E212 HydrophobicContact CD2-CG 4Å; L167-E212 HydrophobicContact CG-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CG 3.2Å; L208-E212 PolarHBondContact O-N 2.9Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.44Å; E212-K214 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.04Å; E212-L215 WeakPolarHBondContact O-CB 3.35Å; E212-L215 PolarHBondContact O-N 2.8Å
213D95.8Very high95.9Very high132 Ų13247.1 Ų47.171%0.70629%0.29SS*.Hα-helixtrans-63.2-37.4-179.7-70.9-21.7000112.8S209 F211S209-D213 VanDerWaalsContact O-CG 3.3Å; S209-D213 PolarHBondContact O-N 3.37Å; F211-D213 PolarHBondContact O-N 3.44Å
214K96Very high95.9Very high83 Ų8349.3 Ų49.336%0.36130%0.303SS..Hα-helixtrans-85.9-8.6-178.6-71.8-175.1-179.2-168.90113.8R192 G210 F211 E212 A216 T217 F218R192-K214 PolarHBondContact O-NZ 3.15Å; G210-K214 WeakPolarHBondContact O-CB 3.44Å; G210-K214 VanDerWaalsContact O-CG 3.3Å; G210-K214 WeakPolarHBondContact O-CG 3.43Å; G210-K214 PolarHBondContact O-N 2.75Å; F211-K214 PolarHBondContact O-N 3.36Å; E212-K214 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.04Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.32Å; K214-T217 WeakPolarHBondContact O-CA 3.44Å; K214-T217 WeakPolarHBondContact O-CB 3.46Å; K214-T217 PolarHBondContact O-N 3.47Å; K214-F218 HydrophobicContact CB-CD2 3.81Å; K214-F218 HydrophobicContact CB-CE2 3.56Å; K214-F218 HydrophobicContact CB-CZ 4.25Å; K214-F218 HydrophobicContact CD-CE2 4.21Å; K214-F218 HydrophobicContact CD-CZ 4.17Å; K214-F218 WeakPolarHBondContact O-CD2 3.04Å; K214-F218 PolarHBondContact O-N 3.37Å
215L95.9Very high95.9Very high27 Ų2751.9 Ų51.914%0.14132%0.318CS..Hα-helixtrans-57.5-44.8-172.8-175.458.9000112L168 F211 E212 T217 F218 Q219 L228L168-L215 HydrophobicContact CD2-CD1 4.02Å; F211-L215 HydrophobicContact CE1-CD1 4.32Å; F211-L215 HydrophobicContact CZ-CD1 4.16Å; F211-L215 PolarHBondContact O-N 2.92Å; E212-L215 WeakPolarHBondContact O-CB 3.35Å; E212-L215 PolarHBondContact O-N 2.8Å; L215-T217 PolarHBondContact O-N 2.01Å; L215-F218 PolarHBondContact O-N 3.06Å; L215-Q219 VanDerWaalsContact O-CG 3.3Å; L215-Q219 WeakPolarHBondContact O-CG 3.1Å; L215-Q219 PolarHBondContact O-N 3.32Å; L215-L228 HydrophobicContact CD1-CD1 3.57Å
216A94.8Very high96Very high68 Ų6852.8 Ų52.856%0.56232%0.316SS*.Hα-helixtrans-64.1-39.2176.700000112.4K214 Q219 S220K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.32Å; A216-Q219 PolarHBondContact O-N 2.93Å; A216-S220 PolarHBondContact O-N 3.07Å
217T96.9Very high96.5Very high70 Ų7052 Ų5243%0.42931%0.305SS..Hα-helixtrans-64.4-48.6175.5-55.80000110.9K214 L215 Q219 S220 E221K214-T217 WeakPolarHBondContact O-CA 3.44Å; K214-T217 WeakPolarHBondContact O-CB 3.46Å; K214-T217 PolarHBondContact O-N 3.47Å; L215-T217 PolarHBondContact O-N 2.01Å; T217-Q219 VanDerWaalsContact C-N 3.31Å; T217-Q219 PolarHBondContact O-N 3.08Å; T217-S220 PolarHBondContact O-N 3.45Å; T217-S220 VanDerWaalsContact O-N 3.09Å; T217-S220 PolarHBondContact O-OG 3.24Å; T217-E221 WeakPolarHBondContact O-CG 2.95Å; T217-E221 PolarHBondContact O-N 2.97Å
218F97Very high96.6Very high10 Ų1052.2 Ų52.24%0.04431%0.306CS..Hα-helixtrans-58-43.3177.2-74.7-48.5000112.1L193 K214 L215 S220 E221 G222 F223 L228L193-F218 HydrophobicContact CD2-CE2 3.97Å; L193-F218 HydrophobicContact CD2-CZ 4.25Å; K214-F218 HydrophobicContact CB-CD2 3.81Å; K214-F218 HydrophobicContact CB-CE2 3.56Å; K214-F218 HydrophobicContact CB-CZ 4.25Å; K214-F218 HydrophobicContact CD-CE2 4.21Å; K214-F218 HydrophobicContact CD-CZ 4.17Å; K214-F218 WeakPolarHBondContact O-CD2 3.04Å; K214-F218 PolarHBondContact O-N 3.37Å; L215-F218 PolarHBondContact O-N 3.06Å; F218-S220 VanDerWaalsContact C-N 3.35Å; F218-S220 PolarHBondContact O-N 3.37Å; F218-E221 CarbonylContact O-C 3.55Å; F218-E221 PolarHBondContact O-N 3.04Å; F218-G222 PolarHBondContact O-N 2.97Å; F218-G222 VanDerWaalsContact O-N 3.17Å; F218-F223 HydrophobicContact CB-CB 3.96Å; F218-F223 HydrophobicContact CB-CD2 4.18Å; F218-F223 HydrophobicContact CB-CG 4.1Å; F218-F223 HydrophobicContact CD1-CD1 4.17Å; F218-F223 AromaticContact CD1-CD2 3.66Å; F218-F223 HydrophobicContact CD1-CD2 3.66Å; F218-F223 HydrophobicContact CD1-CE1 4.22Å; F218-F223 AromaticContact CD1-CE2 3.66Å; F218-F223 HydrophobicContact CD1-CE2 3.66Å; F218-F223 AromaticContact CD1-CG 3.92Å; F218-F223 HydrophobicContact CD1-CG 3.92Å; F218-F223 AromaticContact CD1-CZ 3.97Å; F218-F223 HydrophobicContact CD1-CZ 3.97Å; F218-F223 HydrophobicContact CE1-CE1 4.34Å; F218-F223 HydrophobicContact CE1-CE2 4.16Å; F218-F223 HydrophobicContact CE1-CZ 4.07Å; F218-F223 HydrophobicContact CG-CD2 4.36Å; F218-F223 HydrophobicContact CG-CG 4.33Å; F218-F223 WeakPolarHBondContact O-CB 3.35Å; F218-F223 PolarHBondContact O-N 3.12Å; F218-L228 HydrophobicContact CB-CD2 3.72Å; F218-L228 HydrophobicContact CD1-CD2 4.5Å; F218-L228 HydrophobicContact CD2-CD2 3.53Å; F218-L228 HydrophobicContact CE2-CD2 4.23Å; F218-L228 HydrophobicContact CG-CD2 3.7Å
219Q93.9Very high96.7Very high121 Ų12152.1 Ų52.157%0.56531%0.306SS*.Hα-helixtrans-60.7-43.3175-73.6174.4-15.800111.8L215 A216 T217 E221 G222L215-Q219 VanDerWaalsContact O-CG 3.3Å; L215-Q219 WeakPolarHBondContact O-CG 3.1Å; L215-Q219 PolarHBondContact O-N 3.32Å; A216-Q219 PolarHBondContact O-N 2.93Å; T217-Q219 VanDerWaalsContact C-N 3.31Å; T217-Q219 PolarHBondContact O-N 3.08Å; Q219-E221 VanDerWaalsContact C-N 3.27Å; Q219-E221 PolarHBondContact O-N 3.28Å; Q219-G222 PolarHBondContact O-N 2.8Å; Q219-G222 VanDerWaalsContact O-N 3.09Å
220S96.4Very high96.8Very high100 Ų10051.8 Ų51.870%0.69930%0.297SS*.Hα-helixtrans-65.8-29.2176.5750000113.5A216 T217 F218 G222A216-S220 PolarHBondContact O-N 3.07Å; T217-S220 PolarHBondContact O-N 3.45Å; T217-S220 VanDerWaalsContact O-N 3.09Å; T217-S220 PolarHBondContact O-OG 3.24Å; F218-S220 VanDerWaalsContact C-N 3.35Å; F218-S220 PolarHBondContact O-N 3.37Å; S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.34Å
221E96.7Very high97Very high96 Ų9651.2 Ų51.245%0.44929%0.292SS..THydrogen-bonded Turntrans-82.8-0.2174.9-70.6-176.7-166.900113.3R189 T217 F218 Q219 F223R189-E221 PolarHBondContact NH1-O 3.18Å; R189-E221 IonicContact NH2-OE2 3.42Å; R189-E221 PolarHBondContact NH2-OE2 2.82Å; T217-E221 WeakPolarHBondContact O-CG 2.95Å; T217-E221 PolarHBondContact O-N 2.97Å; F218-E221 CarbonylContact O-C 3.55Å; F218-E221 PolarHBondContact O-N 3.04Å; Q219-E221 VanDerWaalsContact C-N 3.27Å; Q219-E221 PolarHBondContact O-N 3.28Å; E221-F223 HydrophobicContact CB-CD2 4.05Å; E221-F223 HydrophobicContact CB-CE2 4.32Å
222G96.9Very high97Very high52 Ų5251.2 Ų51.254%0.53629%0.292SS..THydrogen-bonded Turntrans78.522.7177.800000115F218 Q219 S220F218-G222 PolarHBondContact O-N 2.97Å; F218-G222 VanDerWaalsContact O-N 3.17Å; Q219-G222 PolarHBondContact O-N 2.8Å; Q219-G222 VanDerWaalsContact O-N 3.09Å; S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.34Å
223F98Very high97.2Very high16 Ų1648.2 Ų48.27%0.0728%0.278CS..  trans-65.5133.7168.7-83.1-107.2000110.2R189 F218 E221 D227 L228R189-F223 HydrophobicContact CB-CD1 4.42Å; R189-F223 HydrophobicContact CB-CE1 3.98Å; R189-F223 HydrophobicContact CB-CZ 4.41Å; R189-F223 HydrophobicContact CG-CD1 4.49Å; R189-F223 HydrophobicContact CG-CE1 3.75Å; R189-F223 HydrophobicContact CG-CE2 4.36Å; R189-F223 HydrophobicContact CG-CZ 3.68Å; F218-F223 HydrophobicContact CB-CB 3.96Å; F218-F223 HydrophobicContact CB-CD2 4.18Å; F218-F223 HydrophobicContact CB-CG 4.1Å; F218-F223 HydrophobicContact CD1-CD1 4.17Å; F218-F223 AromaticContact CD1-CD2 3.66Å; F218-F223 HydrophobicContact CD1-CD2 3.66Å; F218-F223 HydrophobicContact CD1-CE1 4.22Å; F218-F223 AromaticContact CD1-CE2 3.66Å; F218-F223 HydrophobicContact CD1-CE2 3.66Å; F218-F223 AromaticContact CD1-CG 3.92Å; F218-F223 HydrophobicContact CD1-CG 3.92Å; F218-F223 AromaticContact CD1-CZ 3.97Å; F218-F223 HydrophobicContact CD1-CZ 3.97Å; F218-F223 HydrophobicContact CE1-CE1 4.34Å; F218-F223 HydrophobicContact CE1-CE2 4.16Å; F218-F223 HydrophobicContact CE1-CZ 4.07Å; F218-F223 HydrophobicContact CG-CD2 4.36Å; F218-F223 HydrophobicContact CG-CG 4.33Å; F218-F223 WeakPolarHBondContact O-CB 3.35Å; F218-F223 PolarHBondContact O-N 3.12Å; E221-F223 HydrophobicContact CB-CD2 4.05Å; E221-F223 HydrophobicContact CB-CE2 4.32Å; F223-D227 HydrophobicContact CB-CB 4.34Å; F223-D227 HydrophobicContact CD1-CB 3.58Å; F223-D227 HydrophobicContact CE1-CB 4.33Å; F223-D227 HydrophobicContact CG-CB 4.36Å; F223-L228 HydrophobicContact CB-CD2 4.26Å; F223-L228 HydrophobicContact CB-CG 4.34Å; F223-L228 HydrophobicContact CD1-CD2 4.42Å
224T97.7Very high97.3Very high62 Ų6243.4 Ų43.438%0.3825%0.251SS..  trans-84.4169.1172.879.80000111.3E226 D227 L228T224-E226 WeakPolarHBondContact CB-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.96Å; T224-E226 WeakPolarHBondContact OG1-CB 3.41Å; T224-E226 PolarHBondContact OG1-N 3.14Å; T224-E226 PolarHBondContact OG1-OE2 2.85Å; T224-D227 PolarHBondContact N-OD2 3.41Å; T224-D227 PolarHBondContact O-N 2.82Å; T224-D227 PolarHBondContact OG1-N 2.82Å; T224-L228 WeakPolarHBondContact O-CG 3.45Å; T224-L228 PolarHBondContact O-N 3.24Å
225V97.5Very high97.4Very high54 Ų5440.2 Ų40.233%0.32724%0.239SC..Hα-helixtrans-59.8-36.6174173.70000110.8L168 L170 L228 C229L168-V225 HydrophobicContact CB-CG1 4.36Å; L168-V225 HydrophobicContact CD1-CG1 4.27Å; L170-V225 HydrophobicContact CD2-CG1 4.03Å; V225-L228 PolarHBondContact O-N 3.43Å; V225-C229 PolarHBondContact O-N 3.14Å; V225-C229 PolarHBondContact O-SG 3.32Å
226E98.4Very high97.5Very high55 Ų5539 Ų3926%0.25723%0.232SC..Hα-helixtrans-61.2-46.3174.6-60.279.9-179.600111.8M183 K186 T224 L228 C229 F230M183-E226 WeakPolarHBondContact O-CA 3.38Å; M183-E226 VanDerWaalsContact O-CB 3.26Å; M183-E226 WeakPolarHBondContact O-CB 3.17Å; M183-E226 WeakPolarHBondContact O-CG 3.33Å; M183-E226 HydrophobicContact SD-CG 4.29Å; K186-E226 HydrophobicContact CB-CB 4Å; K186-E226 HydrophobicContact CB-CG 3.7Å; K186-E226 HydrophobicContact CD-CG 4.27Å; T224-E226 WeakPolarHBondContact CB-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.96Å; T224-E226 WeakPolarHBondContact OG1-CB 3.41Å; T224-E226 PolarHBondContact OG1-N 3.14Å; T224-E226 PolarHBondContact OG1-OE2 2.85Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.42Å; E226-C229 PolarHBondContact O-N 3.19Å; E226-F230 WeakPolarHBondContact O-CB 3.29Å; E226-F230 PolarHBondContact O-N 3.12Å
227D98.5Very high97.7Very high14 Ų1435.7 Ų35.78%0.07521%0.205CC..Hα-helixtrans-63.2-37.3176.4-66.7-38000112.3K188 R189 F223 T224 T231K188-D227 PolarHBondContact N-OD1 2.99Å; R189-D227 HydrophobicContact CB-CB 4.2Å; R189-D227 PolarHBondContact N-OD1 3.02Å; F223-D227 HydrophobicContact CB-CB 4.34Å; F223-D227 HydrophobicContact CD1-CB 3.58Å; F223-D227 HydrophobicContact CE1-CB 4.33Å; F223-D227 HydrophobicContact CG-CB 4.36Å; T224-D227 PolarHBondContact N-OD2 3.41Å; T224-D227 PolarHBondContact O-N 2.82Å; T224-D227 PolarHBondContact OG1-N 2.82Å; D227-T231 VanDerWaalsContact O-CB 3.29Å; D227-T231 WeakPolarHBondContact O-CB 3.38Å; D227-T231 PolarHBondContact O-N 3.29Å; D227-T231 PolarHBondContact O-OG1 2.84Å
228L98.3Very high97.8Very high3 Ų333.9 Ų33.92%0.01620%0.197CC..Hα-helixtrans-68.3-44.8177.5-68.3174.7000111.8L168 F211 L215 F218 F223 T224 V225 E226 F230 T231 V232L168-L228 HydrophobicContact CD1-CB 4.32Å; L168-L228 HydrophobicContact CD2-CD1 3.8Å; F211-L228 HydrophobicContact CE2-CB 4.04Å; F211-L228 HydrophobicContact CE2-CD2 3.94Å; F211-L228 HydrophobicContact CE2-CG 4.45Å; F211-L228 HydrophobicContact CZ-CB 4.16Å; F211-L228 HydrophobicContact CZ-CD1 4.42Å; F211-L228 HydrophobicContact CZ-CD2 4.42Å; L215-L228 HydrophobicContact CD1-CD1 3.57Å; F218-L228 HydrophobicContact CB-CD2 3.72Å; F218-L228 HydrophobicContact CD1-CD2 4.5Å; F218-L228 HydrophobicContact CD2-CD2 3.53Å; F218-L228 HydrophobicContact CE2-CD2 4.23Å; F218-L228 HydrophobicContact CG-CD2 3.7Å; F223-L228 HydrophobicContact CB-CD2 4.26Å; F223-L228 HydrophobicContact CB-CG 4.34Å; F223-L228 HydrophobicContact CD1-CD2 4.42Å; T224-L228 WeakPolarHBondContact O-CG 3.45Å; T224-L228 PolarHBondContact O-N 3.24Å; V225-L228 PolarHBondContact O-N 3.43Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.42Å; L228-F230 VanDerWaalsContact C-N 3.34Å; L228-T231 PolarHBondContact O-N 3.13Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 2.98Å
229C98.3Very high97.8Very high0 Ų033.4 Ų33.40%020%0.195CC..Hα-helixtrans-61-44.7175.1-68.40000111.2I180 M183 A184 V225 E226 V232 Q233I180-C229 HydrophobicContact CG2-CB 3.98Å; M183-C229 HydrophobicContact CB-CB 3.88Å; A184-C229 HydrophobicContact CB-CB 3.97Å; V225-C229 PolarHBondContact O-N 3.14Å; V225-C229 PolarHBondContact O-SG 3.32Å; E226-C229 PolarHBondContact O-N 3.19Å; C229-V232 PolarHBondContact O-N 3.12Å; C229-Q233 WeakPolarHBondContact O-CG 3.33Å; C229-Q233 PolarHBondContact O-N 3.15Å
230F98.5Very high98.1Very high45 Ų4527.6 Ų27.620%0.19717%0.168CC..Hα-helixtrans-57.6-50.9173.8171.4-114.4000111.4A184 L190 E226 L228 V232 Q233 E234A184-F230 HydrophobicContact CB-CB 4.37Å; L190-F230 HydrophobicContact CB-CE1 3.98Å; L190-F230 HydrophobicContact CD1-CE1 4.27Å; E226-F230 WeakPolarHBondContact O-CB 3.29Å; E226-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact C-N 3.34Å; F230-V232 VanDerWaalsContact C-N 3.34Å; F230-V232 PolarHBondContact O-N 3.34Å; F230-Q233 PolarHBondContact O-N 2.87Å; F230-E234 HydrophobicContact CD2-CG 3.78Å; F230-E234 HydrophobicContact CE1-CG 4.31Å; F230-E234 HydrophobicContact CE2-CG 3.34Å; F230-E234 HydrophobicContact CG-CG 4.41Å; F230-E234 HydrophobicContact CZ-CG 3.65Å; F230-E234 WeakPolarHBondContact O-CG 3.49Å; F230-E234 PolarHBondContact O-N 3.43Å
231T98.3Very high98.2Very high0 Ų023.8 Ų23.80%014%0.14CC..Hα-helixtrans-58.2-44.3-179.9-63.40000112.7R189 L190 G191 L193 D227 L228 T235R189-T231 PolarHBondContact O-OG1 2.88Å; L190-T231 HydrophobicContact CD1-CG2 4.23Å; G191-T231 PolarHBondContact N-OG1 2.85Å; G191-T231 WeakPolarHBondContact O-CG2 3.47Å; L193-T231 HydrophobicContact CD1-CG2 3.81Å; L193-T231 HydrophobicContact CG-CG2 3.86Å; D227-T231 VanDerWaalsContact O-CB 3.29Å; D227-T231 WeakPolarHBondContact O-CB 3.38Å; D227-T231 PolarHBondContact O-N 3.29Å; D227-T231 PolarHBondContact O-OG1 2.84Å; L228-T231 PolarHBondContact O-N 3.13Å; T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 2.99Å; T231-T235 PolarHBondContact O-OG1 3.34Å
232V98.2Very high98.3Very high0 Ų021.5 Ų21.50%013%0.13CC..Hα-helixtrans-63.6-49.1177.81700000110.3L161 V164 L193 F211 L228 C229 F230 T235 V236L161-V232 HydrophobicContact CD2-CG1 3.87Å; V164-V232 HydrophobicContact CG1-CG1 4.48Å; V164-V232 HydrophobicContact CG1-CG2 4.11Å; V164-V232 HydrophobicContact CG2-CG1 4.21Å; V164-V232 HydrophobicContact CG2-CG2 4.29Å; L193-V232 HydrophobicContact CD1-CB 4.46Å; L193-V232 HydrophobicContact CD1-CG2 3.72Å; F211-V232 HydrophobicContact CD2-CG2 3.53Å; F211-V232 HydrophobicContact CE2-CG2 3.55Å; F211-V232 HydrophobicContact CG-CG2 4.29Å; F211-V232 HydrophobicContact CZ-CG2 4.32Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 2.98Å; C229-V232 PolarHBondContact O-N 3.12Å; F230-V232 VanDerWaalsContact C-N 3.34Å; F230-V232 PolarHBondContact O-N 3.34Å; V232-T235 PolarHBondContact O-N 3.49Å; V232-V236 HydrophobicContact CG1-CG1 4.35Å; V232-V236 WeakPolarHBondContact O-CG1 3.37Å; V232-V236 VanDerWaalsContact O-CG2 3.29Å; V232-V236 WeakPolarHBondContact O-CG2 3.33Å; V232-V236 PolarHBondContact O-N 3.31Å
233Q98.2Very high98.4Very high5 Ų519 Ų192%0.02310%0.104CC..Hα-helixtrans-58.9-51.8180-79.3-162.9-10.200112.5I180 A184 C229 F230 T235 V236 F237 N265I180-Q233 HydrophobicContact CG2-CG 3.95Å; A184-Q233 HydrophobicContact CB-CG 4.23Å; A184-Q233 VanDerWaalsContact CB-OE1 3.28Å; C229-Q233 WeakPolarHBondContact O-CG 3.33Å; C229-Q233 PolarHBondContact O-N 3.15Å; F230-Q233 PolarHBondContact O-N 2.87Å; Q233-T235 PolarHBondContact O-N 3.01Å; Q233-V236 PolarHBondContact O-N 3.4Å; Q233-F237 HydrophobicContact CB-CD2 3.85Å; Q233-F237 HydrophobicContact CB-CE2 3.56Å; Q233-F237 HydrophobicContact CB-CZ 4.24Å; Q233-F237 HydrophobicContact CG-CD2 4.33Å; Q233-F237 HydrophobicContact CG-CE2 3.54Å; Q233-F237 HydrophobicContact CG-CZ 3.82Å; Q233-F237 WeakPolarHBondContact O-CB 3.42Å; Q233-F237 VanDerWaalsContact O-CD2 3.27Å; Q233-F237 WeakPolarHBondContact O-CD2 3.24Å; Q233-F237 WeakPolarHBondContact O-CG 3.31Å; Q233-F237 PolarHBondContact O-N 2.92Å; Q233-N265 PolarHBondContact NE2-ND2 3.12Å; Q233-N265 VanDerWaalsContact NE2-ND2 3.12Å
234E98.5Very high98.4Very high31 Ų3118.3 Ų18.315%0.14510%0.101CC..Hα-helixtrans-57.7-40.7-179.8-67.1-56.112100111.6L190 F230 A238 R267L190-E234 HydrophobicContact CD1-CB 4.04Å; L190-E234 HydrophobicContact CD1-CG 4.35Å; F230-E234 HydrophobicContact CD2-CG 3.78Å; F230-E234 HydrophobicContact CE1-CG 4.31Å; F230-E234 HydrophobicContact CE2-CG 3.34Å; F230-E234 HydrophobicContact CG-CG 4.41Å; F230-E234 HydrophobicContact CZ-CG 3.65Å; F230-E234 WeakPolarHBondContact O-CG 3.49Å; F230-E234 PolarHBondContact O-N 3.43Å; E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.79Å; E234-A238 VanDerWaalsContact O-N 3.13Å; E234-R267 VanDerWaalsContact CD-NH2 3.32Å; E234-R267 IonicContact OE1-CZ 3.16Å; E234-R267 VanDerWaalsContact OE1-CZ 3.31Å; E234-R267 IonicContact OE1-NE 2.8Å; E234-R267 PolarHBondContact OE1-NE 2.96Å; E234-R267 IonicContact OE1-NH2 3.27Å; E234-R267 PolarHBondContact OE1-NH2 3.47Å; E234-R267 VanDerWaalsContact OE1-NH2 3.1Å; E234-R267 IonicContact OE2-CZ 3.02Å; E234-R267 IonicContact OE2-NE 3.54Å; E234-R267 IonicContact OE2-NH2 2.6Å; E234-R267 PolarHBondContact OE2-NH2 3.34Å
235T98.4Very high98.4Very high16 Ų1618.7 Ų18.710%0.09810%0.098CC..Hα-helixtrans-69-52.6-179.5-50.10000111.4L193 Y195 L207 T231 V232 Q233 M239L193-T235 HydrophobicContact CB-CG2 4.14Å; Y195-T235 HydrophobicContact CD2-CG2 4.2Å; L207-T235 HydrophobicContact CD1-CG2 3.58Å; T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 2.99Å; T231-T235 PolarHBondContact O-OG1 3.34Å; V232-T235 PolarHBondContact O-N 3.49Å; Q233-T235 PolarHBondContact O-N 3.01Å; T235-M239 HydrophobicContact CG2-SD 4.47Å; T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.5Å; T235-M239 PolarHBondContact O-N 3.03Å
236V98.2Very high98.5Very high0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-69.8-36.9-175.3-600000112.1V157 L161 F204 L207 V232 Q233 M239 L240V157-V236 HydrophobicContact CG2-CB 4Å; V157-V236 HydrophobicContact CG2-CG2 4.06Å; L161-V236 HydrophobicContact CD2-CG2 4.38Å; F204-V236 HydrophobicContact CD1-CB 4.43Å; F204-V236 HydrophobicContact CD1-CG1 4.07Å; F204-V236 HydrophobicContact CE1-CB 4.07Å; F204-V236 HydrophobicContact CE1-CG1 4.21Å; L207-V236 HydrophobicContact CD1-CG1 3.58Å; L207-V236 HydrophobicContact CD2-CG1 3.9Å; L207-V236 HydrophobicContact CG-CG1 4.42Å; V232-V236 HydrophobicContact CG1-CG1 4.35Å; V232-V236 WeakPolarHBondContact O-CG1 3.37Å; V232-V236 VanDerWaalsContact O-CG2 3.29Å; V232-V236 WeakPolarHBondContact O-CG2 3.33Å; V232-V236 PolarHBondContact O-N 3.31Å; Q233-V236 PolarHBondContact O-N 3.4Å; V236-M239 WeakPolarHBondContact O-CB 3.47Å; V236-M239 PolarHBondContact O-N 3.5Å; V236-L240 WeakPolarHBondContact O-CG 3.14Å; V236-L240 PolarHBondContact O-N 3.12Å; V236-L240 VanDerWaalsContact O-N 3.14Å
237F98.6Very high98.5Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-73.3-36.4-179.8-61.2-23000111.7L161 Q233 M239 L240 V241 V262 N265 R267 L268 M271L161-F237 HydrophobicContact CD1-CE1 4.4Å; Q233-F237 HydrophobicContact CB-CD2 3.85Å; Q233-F237 HydrophobicContact CB-CE2 3.56Å; Q233-F237 HydrophobicContact CB-CZ 4.24Å; Q233-F237 HydrophobicContact CG-CD2 4.33Å; Q233-F237 HydrophobicContact CG-CE2 3.54Å; Q233-F237 HydrophobicContact CG-CZ 3.82Å; Q233-F237 WeakPolarHBondContact O-CB 3.42Å; Q233-F237 VanDerWaalsContact O-CD2 3.27Å; Q233-F237 WeakPolarHBondContact O-CD2 3.24Å; Q233-F237 WeakPolarHBondContact O-CG 3.31Å; Q233-F237 PolarHBondContact O-N 2.92Å; F237-M239 VanDerWaalsContact C-N 3.31Å; F237-M239 PolarHBondContact O-N 3.16Å; F237-L240 HydrophobicContact CD1-CD1 4.05Å; F237-L240 PolarHBondContact O-N 3.12Å; F237-V241 WeakPolarHBondContact O-CG2 3.21Å; F237-V241 PolarHBondContact O-N 2.95Å; F237-V262 HydrophobicContact CE1-CG1 4.15Å; F237-N265 WeakPolarHBondContact CE2-OD1 3.45Å; F237-N265 HydrophobicContact CZ-CB 4.22Å; F237-N265 WeakPolarHBondContact CZ-OD1 3.27Å; F237-R267 HydrophobicContact CD2-CB 4.42Å; F237-R267 HydrophobicContact CD2-CG 4.13Å; F237-R267 HydrophobicContact CE2-CB 4.18Å; F237-R267 HydrophobicContact CE2-CG 4.3Å; F237-L268 HydrophobicContact CB-CD1 3.97Å; F237-L268 HydrophobicContact CD1-CB 4.01Å; F237-L268 HydrophobicContact CD1-CD1 3.93Å; F237-L268 HydrophobicContact CD1-CD2 4.43Å; F237-L268 HydrophobicContact CD1-CG 4.33Å; F237-L268 HydrophobicContact CD2-CB 4.05Å; F237-L268 HydrophobicContact CE1-CB 4.11Å; F237-L268 HydrophobicContact CE1-CD2 4.47Å; F237-L268 HydrophobicContact CE2-CB 4.13Å; F237-L268 HydrophobicContact CG-CB 4Å; F237-L268 HydrophobicContact CG-CD1 4.01Å; F237-L268 HydrophobicContact CZ-CB 4.16Å; F237-M271 HydrophobicContact CB-CE 3.86Å; F237-M271 HydrophobicContact CB-SD 3.51Å; F237-M271 VanDerWaalsContact CB-SD 3.51Å; F237-M271 HydrophobicContact CD2-SD 4.14Å; F237-M271 HydrophobicContact CG-SD 4.35Å
238A98.7Very high98.4Very high31 Ų3117.9 Ų17.926%0.2569%0.086SC..Hα-helixtrans-60.5-41.7172.300000111.6Y195 E234 L240 V241 E242 M271Y195-A238 HydrophobicContact CE2-CB 3.84Å; Y195-A238 PolarHBondContact OH-O 3.1Å; E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.79Å; E234-A238 VanDerWaalsContact O-N 3.13Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 2.71Å; A238-V241 PolarHBondContact O-N 3.12Å; A238-E242 WeakPolarHBondContact O-CB 3.34Å; A238-E242 PolarHBondContact O-N 2.95Å; A238-M271 HydrophobicContact CB-CE 3.95Å
239M98.6Very high98.4Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-58.9-44174.3-66.2170.352.400112Y195 V196 V197 M202 F204 L207 T235 V236 F237 E242 V243Y195-M239 HydrophobicContact CD1-CG 4.17Å; Y195-M239 HydrophobicContact CD2-CG 3.65Å; Y195-M239 HydrophobicContact CD2-SD 4.44Å; Y195-M239 HydrophobicContact CE1-CG 3.97Å; Y195-M239 HydrophobicContact CE2-CB 4.35Å; Y195-M239 HydrophobicContact CE2-CG 3.42Å; Y195-M239 VanDerWaalsContact CE2-CG 3.42Å; Y195-M239 HydrophobicContact CG-CG 4.03Å; Y195-M239 WeakPolarHBondContact OH-CA 3.49Å; Y195-M239 PolarHBondContact OH-N 3.09Å; V196-M239 HydrophobicContact CB-CE 4.43Å; V196-M239 VanDerWaalsContact O-CE 3.26Å; V196-M239 WeakPolarHBondContact O-CE 3.37Å; V197-M239 HydrophobicContact CG2-CB 3.88Å; V197-M239 HydrophobicContact CG2-CE 4.49Å; V197-M239 HydrophobicContact CG2-CG 3.92Å; M202-M239 HydrophobicContact CB-CE 4.15Å; M202-M239 HydrophobicContact CG-CE 4.46Å; M202-M239 HydrophobicContact SD-CB 4.41Å; F204-M239 HydrophobicContact CD1-CE 4.24Å; F204-M239 HydrophobicContact CE1-CE 3.91Å; F204-M239 HydrophobicContact CE1-SD 4.49Å; F204-M239 HydrophobicContact CZ-CE 4.46Å; L207-M239 HydrophobicContact CD1-SD 4.03Å; T235-M239 HydrophobicContact CG2-SD 4.47Å; T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.5Å; T235-M239 PolarHBondContact O-N 3.03Å; V236-M239 WeakPolarHBondContact O-CB 3.47Å; V236-M239 PolarHBondContact O-N 3.5Å; F237-M239 VanDerWaalsContact C-N 3.31Å; F237-M239 PolarHBondContact O-N 3.16Å; M239-E242 PolarHBondContact O-N 3.26Å; M239-V243 PolarHBondContact O-N 3.28Å; M239-V243 VanDerWaalsContact O-N 3.16Å
240L98.8Very high98.3Very high0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-65.4-42.4178.3-69.8167.5000112.3L129 V131 T136 V157 M202 F204 V236 F237 A238 V243 T244 L268L129-L240 HydrophobicContact CD1-CD2 4.04Å; L129-L240 HydrophobicContact CD2-CB 4.1Å; V131-L240 HydrophobicContact CG1-CD1 4.1Å; V131-L240 HydrophobicContact CG1-CD2 3.76Å; T136-L240 HydrophobicContact CG2-CD2 3.68Å; V157-L240 HydrophobicContact CB-CD1 4.45Å; V157-L240 HydrophobicContact CG1-CD1 4.23Å; V157-L240 HydrophobicContact CG2-CD1 4.05Å; M202-L240 HydrophobicContact CE-CD2 3.7Å; M202-L240 HydrophobicContact SD-CD2 3.61Å; M202-L240 HydrophobicContact SD-CG 4.19Å; F204-L240 HydrophobicContact CZ-CD2 4.11Å; F204-L240 HydrophobicContact CZ-CG 4.41Å; V236-L240 WeakPolarHBondContact O-CG 3.14Å; V236-L240 PolarHBondContact O-N 3.12Å; V236-L240 VanDerWaalsContact O-N 3.14Å; F237-L240 HydrophobicContact CD1-CD1 4.05Å; F237-L240 PolarHBondContact O-N 3.12Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 2.71Å; L240-V243 WeakPolarHBondContact O-CG2 3.22Å; L240-T244 WeakPolarHBondContact O-CB 3.3Å; L240-T244 PolarHBondContact O-N 3.35Å; L240-T244 PolarHBondContact O-OG1 3.12Å; L240-L268 HydrophobicContact CB-CD1 4.39Å; L240-L268 HydrophobicContact CD1-CD1 4.22Å; L240-L268 HydrophobicContact CD1-CD2 4.47Å
241V98.8Very high98.1Very high19 Ų1926.4 Ų26.412%0.11514%0.141CC..Hα-helixtrans-61.9-46.1176170.50000110.2F237 A238 V243 T244 E245 M271 M272 M275F237-V241 WeakPolarHBondContact O-CG2 3.21Å; F237-V241 PolarHBondContact O-N 2.95Å; A238-V241 PolarHBondContact O-N 3.12Å; V241-V243 PolarHBondContact O-N 3.27Å; V241-T244 PolarHBondContact O-N 3.28Å; V241-E245 WeakPolarHBondContact O-CB 3.38Å; V241-E245 PolarHBondContact O-N 3.2Å; V241-M271 HydrophobicContact CG2-CB 3.95Å; V241-M272 HydrophobicContact CG2-CE 3.95Å; V241-M272 HydrophobicContact CG2-SD 4.24Å; V241-M275 HydrophobicContact CG1-CB 3.55Å; V241-M275 HydrophobicContact CG1-CE 4.39Å; V241-M275 HydrophobicContact CG1-CG 3.74Å
242E98.7Very high98Very high49 Ų4929.1 Ų29.123%0.22917%0.17CC..Hα-helixtrans-59.5-48.4180-178.7-179.4150.400112.5Y195 A238 M239 T244 E245 R246Y195-E242 WeakPolarHBondContact CE1-OE2 3.46Å; Y195-E242 PolarHBondContact OH-OE2 2.88Å; A238-E242 WeakPolarHBondContact O-CB 3.34Å; A238-E242 PolarHBondContact O-N 2.95Å; M239-E242 PolarHBondContact O-N 3.26Å; E242-T244 VanDerWaalsContact C-N 3.32Å; E242-T244 PolarHBondContact O-N 2.52Å; E242-E245 PolarHBondContact O-N 3.43Å; E242-R246 VanDerWaalsContact O-CG 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.28Å; E242-R246 PolarHBondContact O-N 3.38Å; E242-R246 IonicContact OE1-CZ 3.18Å; E242-R246 IonicContact OE1-NE 3.17Å; E242-R246 PolarHBondContact OE1-NE 3.49Å; E242-R246 IonicContact OE1-NH2 3.39Å; E242-R246 PolarHBondContact OE1-NH2 2.96Å
243V98.6Very high97.8Very high0 Ų030 Ų300%018%0.175CC..Hα-helixtrans-69.9-31.8179.9-62.50000112.6V138 V197 M200 M202 M239 L240 V241 R246 A247V138-V243 HydrophobicContact CG2-CB 4.33Å; V138-V243 HydrophobicContact CG2-CG2 3.7Å; V197-V243 HydrophobicContact CG1-CG1 3.69Å; V197-V243 HydrophobicContact CG2-CG1 4.38Å; M200-V243 WeakPolarHBondContact O-CG1 3.36Å; M202-V243 HydrophobicContact CE-CG2 3.62Å; M202-V243 HydrophobicContact CG-CG1 3.68Å; M202-V243 HydrophobicContact CG-CG2 4.15Å; M202-V243 HydrophobicContact SD-CB 4.41Å; M202-V243 HydrophobicContact SD-CG1 4.09Å; M202-V243 HydrophobicContact SD-CG2 3.45Å; M202-V243 WeakPolarHBondContact SD-CG2 3.45Å; M239-V243 PolarHBondContact O-N 3.28Å; M239-V243 VanDerWaalsContact O-N 3.16Å; L240-V243 WeakPolarHBondContact O-CG2 3.22Å; V241-V243 PolarHBondContact O-N 3.27Å; V243-R246 PolarHBondContact O-N 2.85Å; V243-A247 PolarHBondContact O-N 3.36Å; V243-A247 VanDerWaalsContact O-N 3.08Å
244T98.6Very high97.7Very high0 Ų034.7 Ų34.70%020%0.201CC..Hα-helixtrans-66.7-44.9175.3-55.80000109.8V127 L240 V241 E242 R246 A247 M248 V256 M272 M275V127-T244 HydrophobicContact CG1-CG2 4.08Å; L240-T244 WeakPolarHBondContact O-CB 3.3Å; L240-T244 PolarHBondContact O-N 3.35Å; L240-T244 PolarHBondContact O-OG1 3.12Å; V241-T244 PolarHBondContact O-N 3.28Å; E242-T244 VanDerWaalsContact C-N 3.32Å; E242-T244 PolarHBondContact O-N 2.52Å; T244-R246 PolarHBondContact O-N 2.69Å; T244-A247 PolarHBondContact O-N 2.77Å; T244-M248 WeakPolarHBondContact O-CG 3.27Å; T244-M248 PolarHBondContact O-N 3.32Å; T244-V256 HydrophobicContact CG2-CG1 3.85Å; T244-V256 HydrophobicContact CG2-CG2 4.06Å; T244-M272 HydrophobicContact CG2-CE 4.06Å; T244-M272 HydrophobicContact CG2-SD 3.79Å; T244-M275 HydrophobicContact CG2-CE 4.44Å
245E98.5Very high97.7Very high70 Ų7035.1 Ų35.133%0.32720%0.203SC..Hα-helixtrans-60.2-43.3175.3179.5169.9-147.900112.3V241 E242 A247 M248 A249 M275 R279V241-E245 WeakPolarHBondContact O-CB 3.38Å; V241-E245 PolarHBondContact O-N 3.2Å; E242-E245 PolarHBondContact O-N 3.43Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.32Å; E245-M248 PolarHBondContact O-N 3.19Å; E245-A249 WeakPolarHBondContact O-CB 3.44Å; E245-A249 PolarHBondContact O-N 2.92Å; E245-M275 HydrophobicContact CB-CE 4.23Å; E245-M275 HydrophobicContact CB-CG 4.02Å; E245-M275 HydrophobicContact CB-SD 3.8Å; E245-M275 HydrophobicContact CG-CG 4.26Å; E245-M275 HydrophobicContact CG-SD 4.02Å; E245-R279 VanDerWaalsContact CG-NH1 3.31Å; E245-R279 IonicContact OE1-CZ 2.66Å; E245-R279 IonicContact OE1-NH1 3.51Å; E245-R279 PolarHBondContact OE1-NH1 3.45Å
246R98.5Very high97.7Very high107 Ų10734.3 Ų34.340%0.40420%0.198SC..Hα-helixtrans-58.1-44.9175.4-72.5172.3-176.2-141-3.7111.4G199 M200 E242 V243 T244 A249 Q250G199-R246 VanDerWaalsContact O-CD 3.29Å; G199-R246 WeakPolarHBondContact O-CD 3.39Å; G199-R246 PolarHBondContact O-NH1 2.99Å; M200-R246 HydrophobicContact CG-CB 4.27Å; E242-R246 VanDerWaalsContact O-CG 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.28Å; E242-R246 PolarHBondContact O-N 3.38Å; E242-R246 IonicContact OE1-CZ 3.18Å; E242-R246 IonicContact OE1-NE 3.17Å; E242-R246 PolarHBondContact OE1-NE 3.49Å; E242-R246 IonicContact OE1-NH2 3.39Å; E242-R246 PolarHBondContact OE1-NH2 2.96Å; V243-R246 PolarHBondContact O-N 2.85Å; T244-R246 PolarHBondContact O-N 2.69Å; R246-A249 PolarHBondContact O-N 3.39Å; R246-Q250 PolarHBondContact O-N 2.98Å
247A98Very high97.7Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-65-42.9177.300000112.1V127 V138 Y149 M200 V243 T244 E245 A249 Q250 C251V127-A247 HydrophobicContact CG1-CB 3.99Å; V138-A247 HydrophobicContact CG1-CB 3.4Å; V138-A247 VanDerWaalsContact CG1-CB 3.4Å; Y149-A247 HydrophobicContact CD2-CB 4.22Å; M200-A247 HydrophobicContact SD-CB 4.47Å; V243-A247 PolarHBondContact O-N 3.36Å; V243-A247 VanDerWaalsContact O-N 3.08Å; T244-A247 PolarHBondContact O-N 2.77Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.32Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 3.21Å; A247-Q250 PolarHBondContact O-N 3.3Å; A247-Q250 VanDerWaalsContact O-N 3.14Å; A247-C251 PolarHBondContact O-N 3.39Å; A247-C251 PolarHBondContact O-SG 3.01Å
248M97.9Very high97.7Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-58.1-44.2174.4-69.2177.180.900112V127 T244 E245 Q250 C251 G252 S253 V256 M275 A281V127-M248 HydrophobicContact CB-CG 3.97Å; V127-M248 HydrophobicContact CG1-CG 4.39Å; V127-M248 HydrophobicContact CG2-CB 4.38Å; V127-M248 HydrophobicContact CG2-CG 3.78Å; T244-M248 WeakPolarHBondContact O-CG 3.27Å; T244-M248 PolarHBondContact O-N 3.32Å; E245-M248 PolarHBondContact O-N 3.19Å; M248-Q250 VanDerWaalsContact C-N 3.29Å; M248-Q250 PolarHBondContact O-N 3.46Å; M248-C251 PolarHBondContact O-N 2.94Å; M248-G252 WeakPolarHBondContact O-CA 3.33Å; M248-G252 PolarHBondContact O-N 3.35Å; M248-S253 WeakPolarHBondContact CE-O 3.1Å; M248-S253 PolarHBondContact O-N 3.25Å; M248-V256 HydrophobicContact CE-CG2 3.6Å; M248-V256 HydrophobicContact CG-CG2 4.03Å; M248-V256 HydrophobicContact SD-CG2 3.17Å; M248-V256 WeakPolarHBondContact SD-CG2 3.15Å; M248-M275 HydrophobicContact SD-CE 3.75Å; M248-M275 HydrophobicContact SD-SD 3.93Å; M248-A281 HydrophobicContact CE-CB 3.51Å
249A97.5Very high97.6Very high58 Ų5832.9 Ų32.948%0.47919%0.186SC..Hα-helixtrans-62.6-37.5177.200000112E245 R246 A247E245-A249 WeakPolarHBondContact O-CB 3.44Å; E245-A249 PolarHBondContact O-N 2.92Å; R246-A249 PolarHBondContact O-N 3.39Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 3.21Å
250Q96.3Very high97.4Very high118 Ų11832.9 Ų32.955%0.55119%0.186SC*.Hα-helixtrans-71.2-38.4180-178.8168.4-24.800113.1Y149 M200 R246 A247 M248Y149-Q250 HydrophobicContact CE2-CG 4.17Å; M200-Q250 PolarHBondContact SD-OE1 3Å; R246-Q250 PolarHBondContact O-N 2.98Å; A247-Q250 PolarHBondContact O-N 3.3Å; A247-Q250 VanDerWaalsContact O-N 3.14Å; M248-Q250 VanDerWaalsContact C-N 3.29Å; M248-Q250 PolarHBondContact O-N 3.46Å
251C94.7Very high97.1Very high50 Ų5034.6 Ų34.634%0.33820%0.204SC..Hα-helixtrans-96.8-6.6-178.569.20000114.2V127 V140 Y149 A247 M248 S253V127-C251 WeakPolarHBondContact CG2-SG 3.15Å; V140-C251 HydrophobicContact CG1-CB 4.26Å; Y149-C251 HydrophobicContact CE2-CB 4.27Å; A247-C251 PolarHBondContact O-N 3.39Å; A247-C251 PolarHBondContact O-SG 3.01Å; M248-C251 PolarHBondContact O-N 2.94Å; C251-S253 VanDerWaalsContact C-N 3.28Å; C251-S253 PolarHBondContact O-N 3.22Å; C251-S253 VanDerWaalsContact SG-CB 3.5Å
252G95.1Very high96.9Very high58 Ų5834.5 Ų34.560%0.59820%0.203SC*.THydrogen-bonded Turntrans67.126.5-177.100000113.7M248M248-G252 WeakPolarHBondContact O-CA 3.33Å; M248-G252 PolarHBondContact O-N 3.35Å
253S95Very high96.7Very high17 Ų1732.1 Ų32.112%0.11919%0.192CC..  trans-80.6143.5179.4-175.10000111.4D125 M248 C251 E255D125-S253 PolarHBondContact O-OG 3.44Å; D125-S253 VanDerWaalsContact O-OG 3.09Å; M248-S253 WeakPolarHBondContact CE-O 3.1Å; M248-S253 PolarHBondContact O-N 3.25Å; C251-S253 VanDerWaalsContact C-N 3.28Å; C251-S253 PolarHBondContact O-N 3.22Å; C251-S253 VanDerWaalsContact SG-CB 3.5Å; S253-E255 PolarHBondContact OG-N 2.96Å; S253-E255 PolarHBondContact OG-O 3.31Å
254N96.7Very high96.3Very high104 Ų10433.3 Ų33.356%0.55620%0.2SC*.  trans-108.913.4174.5-59.5-41.4000112A281 K282N254-A281 HydrophobicContact CB-CB 4.37Å; N254-A281 CarbonylContact O-C 3.57Å; N254-A281 WeakPolarHBondContact O-CA 3.44Å; N254-A281 VanDerWaalsContact O-CB 3.22Å; N254-A281 WeakPolarHBondContact O-CB 3.4Å; N254-K282 PolarHBondContact O-N 3.4Å
255E98.2Very high96.1Very high40 Ų4033.7 Ų33.719%0.18720%0.202CC..EExtended strand (participates in β ladder)trans-130136.2178.9-60.9-172.2159.900110D124 D125 P126 V127 S253 K282 Y284D124-E255 PolarHBondContact N-OE2 2.86Å; D125-E255 PolarHBondContact N-OE2 2.87Å; D125-E255 VanDerWaalsContact N-OE2 3.14Å; P126-E255 CarbonylContact C-O 3.57Å; P126-E255 VanDerWaalsContact CA-O 3.29Å; P126-E255 WeakPolarHBondContact CA-O 3.45Å; P126-E255 HydrophobicContact CB-CB 3.86Å; V127-E255 PolarHBondContact N-O 3.28Å; S253-E255 PolarHBondContact OG-N 2.96Å; S253-E255 PolarHBondContact OG-O 3.31Å; E255-K282 CarbonylContact C-O 3.53Å; E255-K282 WeakPolarHBondContact CA-O 3.38Å; E255-Y284 HydrophobicContact CB-CD2 4.4Å; E255-Y284 HydrophobicContact CB-CE2 4.09Å; E255-Y284 HydrophobicContact CG-CE2 3.89Å
256V98.3Very high95.9Very high0 Ų035.1 Ų35.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.7135.1167.1179.90000108.4V127 T244 M248 V258 M272 M275 K282 V283 Y284V127-V256 CarbonylContact O-C 3.59Å; V127-V256 VanDerWaalsContact O-CA 3.28Å; V127-V256 WeakPolarHBondContact O-CA 3.26Å; T244-V256 HydrophobicContact CG2-CG1 3.85Å; T244-V256 HydrophobicContact CG2-CG2 4.06Å; M248-V256 HydrophobicContact CE-CG2 3.6Å; M248-V256 HydrophobicContact CG-CG2 4.03Å; M248-V256 HydrophobicContact SD-CG2 3.17Å; M248-V256 WeakPolarHBondContact SD-CG2 3.15Å; V256-V258 HydrophobicContact CG1-CG2 4.09Å; V256-M272 HydrophobicContact CB-CG 4.45Å; V256-M272 HydrophobicContact CG1-CG 3.88Å; V256-M272 HydrophobicContact CG1-SD 4.02Å; V256-M275 HydrophobicContact CG2-CE 4.38Å; V256-K282 PolarHBondContact N-O 2.83Å; V256-V283 HydrophobicContact CB-CG2 4.35Å; V256-V283 CarbonylContact O-C 3.49Å; V256-V283 WeakPolarHBondContact O-CA 3.33Å; V256-Y284 PolarHBondContact O-N 3.09Å
257L98.3Very high95.9Very high0 Ų034.2 Ų34.20%021%0.208CC..EExtended strand (participates in β ladder)trans-117.2119.1170.9172.162.1000108.7R118 T121 A123 P126 V127 V128 L129 V259 Y284R118-L257 HydrophobicContact CG-CD2 4.09Å; T121-L257 HydrophobicContact CG2-CD1 4.17Å; A123-L257 HydrophobicContact CB-CB 4.47Å; A123-L257 HydrophobicContact CB-CD2 4.44Å; P126-L257 HydrophobicContact CB-CB 3.57Å; P126-L257 HydrophobicContact CG-CB 3.52Å; P126-L257 HydrophobicContact CG-CD2 4.01Å; P126-L257 HydrophobicContact CG-CG 4.41Å; V127-L257 PolarHBondContact O-N 3.35Å; V128-L257 CarbonylContact C-O 3.59Å; V128-L257 VanDerWaalsContact CA-O 3.28Å; V128-L257 WeakPolarHBondContact CA-O 3.41Å; V128-L257 HydrophobicContact CG1-CG 4.46Å; V128-L257 WeakPolarHBondContact CG1-O 3.32Å; V128-L257 HydrophobicContact CG2-CB 4.28Å; V128-L257 HydrophobicContact CG2-CD2 4.27Å; L129-L257 PolarHBondContact N-O 3.03Å; L257-V259 HydrophobicContact CD1-CG1 4.01Å; L257-V259 HydrophobicContact CD2-CG1 4.14Å; L257-V259 HydrophobicContact CG-CG1 3.79Å; L257-Y284 CarbonylContact C-O 3.55Å; L257-Y284 WeakPolarHBondContact CA-O 3.34Å
258V97.8Very high95.9Very high0 Ų034.2 Ų34.20%021%0.208CC..EExtended strand (participates in β ladder)trans-98.7121.1177.5-168.40000109L129 V131 V256 L268 M272 V283 Y284L129-V258 HydrophobicContact CD2-CG1 4.45Å; V131-V258 HydrophobicContact CG2-CG1 4.25Å; V256-V258 HydrophobicContact CG1-CG2 4.09Å; V258-L268 HydrophobicContact CG1-CD2 4.31Å; V258-M272 HydrophobicContact CG2-CG 4.14Å; V258-V283 HydrophobicContact CG2-CG1 4.12Å; V258-Y284 PolarHBondContact N-O 3.28Å
259V97Very high95.8Very high1 Ų136.3 Ų36.31%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-132.2165.1-177.3-64.30000112H113 V128 L129 Y130 V131 L257H113-V259 HydrophobicContact CB-CB 4.23Å; H113-V259 HydrophobicContact CB-CG2 4.17Å; V128-V259 HydrophobicContact CG1-CG2 3.51Å; L129-V259 PolarHBondContact O-N 3.33Å; Y130-V259 HydrophobicContact CD2-CG2 3.83Å; Y130-V259 HydrophobicContact CG-CG2 4.19Å; V131-V259 PolarHBondContact N-O 3.45Å; L257-V259 HydrophobicContact CD1-CG1 4.01Å; L257-V259 HydrophobicContact CD2-CG1 4.14Å; L257-V259 HydrophobicContact CG-CG1 3.79Å
260G94.5Very high95.9Very high0 Ų038.8 Ų38.80%022%0.22CC..SBendtrans87.2166.6-175.100000113.2V131 V262 G263 C291V131-G260 CarbonylContact O-C 3.58Å; V131-G260 WeakPolarHBondContact O-CA 3.41Å; G260-V262 VanDerWaalsContact C-N 3.28Å; G260-V262 PolarHBondContact O-N 3.41Å; G260-G263 WeakPolarHBondContact O-CA 3.46Å; G260-G263 PolarHBondContact O-N 3.03Å; G260-C291 CarbonylContact C-O 3.54Å; G260-C291 WeakPolarHBondContact CA-O 3.47Å
261G92.2Very high96Very high36 Ų3634.6 Ų34.637%0.37120%0.2SC..G310 helixtrans-61.6-29.4-169.500000115.1V131 G263 C291V131-G261 PolarHBondContact O-N 2.95Å; G261-G263 VanDerWaalsContact C-N 3.28Å; G261-C291 PolarHBondContact N-O 3.47Å; G261-C291 VanDerWaalsContact N-O 3.15Å
262V95.2Very high96.1Very high16 Ų1632.2 Ų32.210%0.09718%0.184CC..G310 helixtrans-77.2-22174.8-177.30000110.8V131 V157 L161 F237 G260 C264 N265 L268V131-V262 HydrophobicContact CB-CB 3.93Å; V131-V262 HydrophobicContact CB-CG1 4.4Å; V131-V262 HydrophobicContact CG2-CB 3.89Å; V131-V262 HydrophobicContact CG2-CG1 4.3Å; V131-V262 WeakPolarHBondContact O-CB 3.47Å; V131-V262 PolarHBondContact O-N 3.25Å; V157-V262 HydrophobicContact CG1-CB 4.41Å; V157-V262 HydrophobicContact CG1-CG1 4.18Å; V157-V262 HydrophobicContact CG1-CG2 4.22Å; L161-V262 HydrophobicContact CD1-CG1 4Å; L161-V262 HydrophobicContact CD1-CG2 4.43Å; F237-V262 HydrophobicContact CE1-CG1 4.15Å; G260-V262 VanDerWaalsContact C-N 3.28Å; G260-V262 PolarHBondContact O-N 3.41Å; V262-C264 PolarHBondContact O-N 3.19Å; V262-N265 WeakPolarHBondContact O-CB 3.44Å; V262-N265 PolarHBondContact O-N 2.93Å; V262-L268 HydrophobicContact CG1-CD2 4.25Å
263G93.7Very high96.3Very high0 Ų032.5 Ų32.50%017%0.172CC..G310 helixtrans-63.8-16.4174.500000113.9G260 G261 N265 Q269G260-G263 WeakPolarHBondContact O-CA 3.46Å; G260-G263 PolarHBondContact O-N 3.03Å; G261-G263 VanDerWaalsContact C-N 3.28Å; G263-N265 VanDerWaalsContact C-N 3.26Å; G263-N265 PolarHBondContact O-N 3.31Å; G263-Q269 PolarHBondContact O-NE2 2.82Å
264C89.9Confident96.5Very high24 Ų2436.3 Ų36.316%0.16219%0.19CC..G310 helixtrans-75.8-9.7171.8-99.10000114.3V262 L266 C291V262-C264 PolarHBondContact O-N 3.19Å; C264-L266 PolarHBondContact O-N 3.28Å; C264-C291 HydrophobicContact CB-CB 4.1Å; C264-C291 WeakPolarHBondContact CB-SG 3.25Å; C264-C291 WeakPolarHBondContact SG-CB 3.2Å; C264-C291 CovalentContact SG-SG 2.01Å; C264-C291 PolarHBondContact SG-SG 3.04Å
265N95.1Very high96.5Very high8 Ų831.9 Ų31.94%0.04317%0.166CC..  trans-70.3119.8179.2-176.7-80.7000110.9E181 Q233 F237 V262 G263 R267 L268 Q269E181-N265 WeakPolarHBondContact CB-ND2 3.49Å; E181-N265 VanDerWaalsContact CG-ND2 3.34Å; E181-N265 WeakPolarHBondContact CG-ND2 3.31Å; E181-N265 PolarHBondContact OE2-ND2 2.78Å; E181-N265 VanDerWaalsContact OE2-ND2 3.12Å; Q233-N265 PolarHBondContact NE2-ND2 3.12Å; Q233-N265 VanDerWaalsContact NE2-ND2 3.12Å; F237-N265 WeakPolarHBondContact CE2-OD1 3.45Å; F237-N265 HydrophobicContact CZ-CB 4.22Å; F237-N265 WeakPolarHBondContact CZ-OD1 3.27Å; V262-N265 WeakPolarHBondContact O-CB 3.44Å; V262-N265 PolarHBondContact O-N 2.93Å; G263-N265 VanDerWaalsContact C-N 3.26Å; G263-N265 PolarHBondContact O-N 3.31Å; N265-R267 VanDerWaalsContact C-N 3.29Å; N265-R267 PolarHBondContact O-N 3.48Å; N265-R267 WeakPolarHBondContact OD1-CA 3.26Å; N265-R267 WeakPolarHBondContact OD1-CB 3.26Å; N265-R267 PolarHBondContact OD1-N 3.46Å; N265-L268 HydrophobicContact CB-CB 4.14Å; N265-L268 PolarHBondContact O-N 3.16Å; N265-L268 PolarHBondContact OD1-N 3.48Å; N265-Q269 WeakPolarHBondContact O-CG 3.36Å; N265-Q269 PolarHBondContact O-N 3.21Å
266L94.8Very high96.5Very high101 Ų10130 Ų3053%0.52916%0.158SC..Hα-helixtrans-68.5-30.3-174.8-63.1-179.5000112.1E181 C264 Q269 Q270E181-L266 WeakPolarHBondContact OE1-CB 3.47Å; E181-L266 PolarHBondContact OE1-N 3.06Å; C264-L266 PolarHBondContact O-N 3.28Å; L266-Q269 PolarHBondContact O-N 2.88Å; L266-Q270 WeakPolarHBondContact O-CB 3.4Å; L266-Q270 WeakPolarHBondContact O-CG 3.47Å; L266-Q270 PolarHBondContact O-N 3.37Å
267R97.6Very high96.5Very high87 Ų8735.5 Ų35.533%0.32818%0.183SC..Hα-helixtrans-67.8-43.3176.2-178.557.7179.7159.55.7111.5E234 F237 N265 Q270 M271E234-R267 VanDerWaalsContact CD-NH2 3.32Å; E234-R267 IonicContact OE1-CZ 3.16Å; E234-R267 VanDerWaalsContact OE1-CZ 3.31Å; E234-R267 IonicContact OE1-NE 2.8Å; E234-R267 PolarHBondContact OE1-NE 2.96Å; E234-R267 IonicContact OE1-NH2 3.27Å; E234-R267 PolarHBondContact OE1-NH2 3.47Å; E234-R267 VanDerWaalsContact OE1-NH2 3.1Å; E234-R267 IonicContact OE2-CZ 3.02Å; E234-R267 IonicContact OE2-NE 3.54Å; E234-R267 IonicContact OE2-NH2 2.6Å; E234-R267 PolarHBondContact OE2-NH2 3.34Å; F237-R267 HydrophobicContact CD2-CB 4.42Å; F237-R267 HydrophobicContact CD2-CG 4.13Å; F237-R267 HydrophobicContact CE2-CB 4.18Å; F237-R267 HydrophobicContact CE2-CG 4.3Å; N265-R267 VanDerWaalsContact C-N 3.29Å; N265-R267 PolarHBondContact O-N 3.48Å; N265-R267 WeakPolarHBondContact OD1-CA 3.26Å; N265-R267 WeakPolarHBondContact OD1-CB 3.26Å; N265-R267 PolarHBondContact OD1-N 3.46Å; R267-Q270 PolarHBondContact O-N 3.36Å; R267-M271 HydrophobicContact CG-SD 4.24Å; R267-M271 WeakPolarHBondContact O-CG 3.29Å; R267-M271 PolarHBondContact O-N 2.96Å
268L97.8Very high96.5Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-59.7-46.4172.5173.860.9000111.1V131 F237 L240 V258 V262 N265 Q270 M271 M272V131-L268 HydrophobicContact CG2-CD2 3.99Å; F237-L268 HydrophobicContact CB-CD1 3.97Å; F237-L268 HydrophobicContact CD1-CB 4.01Å; F237-L268 HydrophobicContact CD1-CD1 3.93Å; F237-L268 HydrophobicContact CD1-CD2 4.43Å; F237-L268 HydrophobicContact CD1-CG 4.33Å; F237-L268 HydrophobicContact CD2-CB 4.05Å; F237-L268 HydrophobicContact CE1-CB 4.11Å; F237-L268 HydrophobicContact CE1-CD2 4.47Å; F237-L268 HydrophobicContact CE2-CB 4.13Å; F237-L268 HydrophobicContact CG-CB 4Å; F237-L268 HydrophobicContact CG-CD1 4.01Å; F237-L268 HydrophobicContact CZ-CB 4.16Å; L240-L268 HydrophobicContact CB-CD1 4.39Å; L240-L268 HydrophobicContact CD1-CD1 4.22Å; L240-L268 HydrophobicContact CD1-CD2 4.47Å; V258-L268 HydrophobicContact CG1-CD2 4.31Å; V262-L268 HydrophobicContact CG1-CD2 4.25Å; N265-L268 HydrophobicContact CB-CB 4.14Å; N265-L268 PolarHBondContact O-N 3.16Å; N265-L268 PolarHBondContact OD1-N 3.48Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.42Å; L268-M271 PolarHBondContact O-N 3.37Å; L268-M272 WeakPolarHBondContact O-CB 3.49Å; L268-M272 PolarHBondContact O-N 3.26Å
269Q97Very high96.4Very high45 Ų4547.7 Ų47.721%0.2124%0.236CC..Hα-helixtrans-59.5-44177.4-69.31792300111.7G263 N265 L266 M272 D273 A285G263-Q269 PolarHBondContact O-NE2 2.82Å; N265-Q269 WeakPolarHBondContact O-CG 3.36Å; N265-Q269 PolarHBondContact O-N 3.21Å; L266-Q269 PolarHBondContact O-N 2.88Å; Q269-M272 PolarHBondContact O-N 3.45Å; Q269-D273 VanDerWaalsContact O-CB 3.27Å; Q269-D273 WeakPolarHBondContact O-CB 3.34Å; Q269-D273 PolarHBondContact O-N 3.2Å; Q269-A285 HydrophobicContact CG-CB 4.01Å
270Q97.8Very high96.5Very high110 Ų11050.8 Ų50.851%0.51427%0.268SS..Hα-helixtrans-61.2-44.5176-75.6169.21.200112.7L266 R267 L268 M272 D273 L274L266-Q270 WeakPolarHBondContact O-CB 3.4Å; L266-Q270 WeakPolarHBondContact O-CG 3.47Å; L266-Q270 PolarHBondContact O-N 3.37Å; R267-Q270 PolarHBondContact O-N 3.36Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.42Å; Q270-M272 VanDerWaalsContact C-N 3.33Å; Q270-D273 PolarHBondContact O-N 3.05Å; Q270-L274 PolarHBondContact O-N 3.1Å
271M98.6Very high96.6Very high29 Ų2951.2 Ų51.214%0.14327%0.272CS..Hα-helixtrans-66-38.2178.9-68.6174.969.200111.5F237 A238 V241 R267 L268 M275F237-M271 HydrophobicContact CB-CE 3.86Å; F237-M271 HydrophobicContact CB-SD 3.51Å; F237-M271 VanDerWaalsContact CB-SD 3.51Å; F237-M271 HydrophobicContact CD2-SD 4.14Å; F237-M271 HydrophobicContact CG-SD 4.35Å; A238-M271 HydrophobicContact CB-CE 3.95Å; V241-M271 HydrophobicContact CG2-CB 3.95Å; R267-M271 HydrophobicContact CG-SD 4.24Å; R267-M271 WeakPolarHBondContact O-CG 3.29Å; R267-M271 PolarHBondContact O-N 2.96Å; L268-M271 PolarHBondContact O-N 3.37Å; M271-M275 PolarHBondContact O-N 3.1Å
272M98.4Very high96.9Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-67.2-41.9174.7-164.364.868.800111.8L129 V241 T244 V256 V258 L268 Q269 Q270 M275 A276 V283L129-M272 HydrophobicContact CD2-CE 3.39Å; V241-M272 HydrophobicContact CG2-CE 3.95Å; V241-M272 HydrophobicContact CG2-SD 4.24Å; T244-M272 HydrophobicContact CG2-CE 4.06Å; T244-M272 HydrophobicContact CG2-SD 3.79Å; V256-M272 HydrophobicContact CB-CG 4.45Å; V256-M272 HydrophobicContact CG1-CG 3.88Å; V256-M272 HydrophobicContact CG1-SD 4.02Å; V258-M272 HydrophobicContact CG2-CG 4.14Å; L268-M272 WeakPolarHBondContact O-CB 3.49Å; L268-M272 PolarHBondContact O-N 3.26Å; Q269-M272 PolarHBondContact O-N 3.45Å; Q270-M272 VanDerWaalsContact C-N 3.33Å; M272-M275 HydrophobicContact CG-CE 4.41Å; M272-M275 PolarHBondContact O-N 3.08Å; M272-M275 HydrophobicContact SD-CE 3.34Å; M272-M275 WeakPolarHBondContact SD-CE 3.36Å; M272-A276 WeakPolarHBondContact O-CB 3.29Å; M272-A276 PolarHBondContact O-N 3.27Å; M272-V283 HydrophobicContact CB-CG1 4.47Å; M272-V283 HydrophobicContact CB-CG2 4.24Å; M272-V283 HydrophobicContact CG-CG1 4.19Å; M272-V283 HydrophobicContact CG-CG2 3.79Å
273D98Very high97Very high64 Ų6456.5 Ų56.534%0.34229%0.286SS..Hα-helixtrans-63.6-42179.1-175.847.6000111.4Q269 Q270 M275 A276 Q277 V283Q269-D273 VanDerWaalsContact O-CB 3.27Å; Q269-D273 WeakPolarHBondContact O-CB 3.34Å; Q269-D273 PolarHBondContact O-N 3.2Å; Q270-D273 PolarHBondContact O-N 3.05Å; D273-M275 PolarHBondContact O-N 2.76Å; D273-A276 PolarHBondContact O-N 3.06Å; D273-Q277 WeakPolarHBondContact O-CB 3.46Å; D273-Q277 WeakPolarHBondContact O-CG 3.48Å; D273-Q277 PolarHBondContact O-N 3.08Å; D273-Q277 PolarHBondContact OD1-NE2 3.42Å; D273-Q277 VanDerWaalsContact OD1-NE2 3.17Å; D273-Q277 PolarHBondContact OD2-NE2 3.18Å; D273-V283 HydrophobicContact CB-CG2 4.33Å
274L98.5Very high97.2Very high97 Ų9758.8 Ų58.851%0.50830%0.295SS..Hα-helixtrans-58.5-49.3173.6-17962.9000111.9Q270 A276 Q277 E278Q270-L274 PolarHBondContact O-N 3.1Å; L274-A276 PolarHBondContact O-N 3.4Å; L274-Q277 PolarHBondContact O-N 3.45Å; L274-E278 WeakPolarHBondContact O-CG 3.36Å; L274-E278 PolarHBondContact O-N 3.17Å; L274-E278 VanDerWaalsContact O-N 3.1Å
275M98.4Very high97.4Very high11 Ų1159.1 Ų59.15%0.05430%0.3CS..Hα-helixtrans-60.7-44.9177.2176.8-81-65.300111.6V241 T244 E245 M248 V256 M271 M272 D273 Q277 E278 R279V241-M275 HydrophobicContact CG1-CB 3.55Å; V241-M275 HydrophobicContact CG1-CE 4.39Å; V241-M275 HydrophobicContact CG1-CG 3.74Å; T244-M275 HydrophobicContact CG2-CE 4.44Å; E245-M275 HydrophobicContact CB-CE 4.23Å; E245-M275 HydrophobicContact CB-CG 4.02Å; E245-M275 HydrophobicContact CB-SD 3.8Å; E245-M275 HydrophobicContact CG-CG 4.26Å; E245-M275 HydrophobicContact CG-SD 4.02Å; M248-M275 HydrophobicContact SD-CE 3.75Å; M248-M275 HydrophobicContact SD-SD 3.93Å; V256-M275 HydrophobicContact CG2-CE 4.38Å; M271-M275 PolarHBondContact O-N 3.1Å; M272-M275 HydrophobicContact CG-CE 4.41Å; M272-M275 PolarHBondContact O-N 3.08Å; M272-M275 HydrophobicContact SD-CE 3.34Å; M272-M275 WeakPolarHBondContact SD-CE 3.36Å; D273-M275 PolarHBondContact O-N 2.76Å; M275-Q277 PolarHBondContact O-N 2.96Å; M275-E278 PolarHBondContact O-N 3.27Å; M275-R279 WeakPolarHBondContact O-CG 3.49Å; M275-R279 PolarHBondContact O-N 3.43Å; M275-R279 WeakPolarHBondContact SD-CD 3.41Å; M275-R279 HydrophobicContact SD-CG 4.29Å
276A97.9Very high97.1Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-63.6-42.8179.300000111.8M272 D273 L274 E278 R279 G280 A281 V283M272-A276 WeakPolarHBondContact O-CB 3.29Å; M272-A276 PolarHBondContact O-N 3.27Å; D273-A276 PolarHBondContact O-N 3.06Å; L274-A276 PolarHBondContact O-N 3.4Å; A276-E278 PolarHBondContact O-N 2.81Å; A276-R279 CarbonylContact O-C 3.52Å; A276-R279 PolarHBondContact O-N 3.33Å; A276-R279 VanDerWaalsContact O-N 3.09Å; A276-G280 PolarHBondContact O-N 2.76Å; A276-G280 VanDerWaalsContact O-N 3.08Å; A276-A281 HydrophobicContact CB-CB 4.07Å; A276-A281 WeakPolarHBondContact O-CA 3.43Å; A276-A281 WeakPolarHBondContact O-CB 3.12Å; A276-A281 PolarHBondContact O-N 2.91Å; A276-V283 HydrophobicContact CB-CG2 3.46Å; A276-V283 VanDerWaalsContact CB-CG2 3.46Å
277Q97.7Very high96.7Very high116 Ų11657.2 Ų57.254%0.54229%0.29SS..Hα-helixtrans-60.3-43.8177.7-75.717417.800112.1D273 L274 M275 R279 G280D273-Q277 WeakPolarHBondContact O-CB 3.46Å; D273-Q277 WeakPolarHBondContact O-CG 3.48Å; D273-Q277 PolarHBondContact O-N 3.08Å; D273-Q277 PolarHBondContact OD1-NE2 3.42Å; D273-Q277 VanDerWaalsContact OD1-NE2 3.17Å; D273-Q277 PolarHBondContact OD2-NE2 3.18Å; L274-Q277 PolarHBondContact O-N 3.45Å; M275-Q277 PolarHBondContact O-N 2.96Å; Q277-R279 PolarHBondContact O-N 3.13Å; Q277-G280 PolarHBondContact O-N 3.34Å
278E98Very high96.1Very high161 Ų16158.9 Ų58.975%0.75230%0.302SS*.Hα-helixtrans-63.6-24.8176.8-71.2-175.4172.700112.8L274 M275 A276L274-E278 WeakPolarHBondContact O-CG 3.36Å; L274-E278 PolarHBondContact O-N 3.17Å; L274-E278 VanDerWaalsContact O-N 3.1Å; M275-E278 PolarHBondContact O-N 3.27Å; A276-E278 PolarHBondContact O-N 2.81Å
279R97Very high95.7Very high96 Ų9666.1 Ų66.136%0.36233%0.329SS..THydrogen-bonded Turntrans-88.7-7.4173.4-64.3-17774.8863.7114.5E245 M275 A276 Q277 A281E245-R279 VanDerWaalsContact CG-NH1 3.31Å; E245-R279 IonicContact OE1-CZ 2.66Å; E245-R279 IonicContact OE1-NH1 3.51Å; E245-R279 PolarHBondContact OE1-NH1 3.45Å; M275-R279 WeakPolarHBondContact O-CG 3.49Å; M275-R279 PolarHBondContact O-N 3.43Å; M275-R279 WeakPolarHBondContact SD-CD 3.41Å; M275-R279 HydrophobicContact SD-CG 4.29Å; A276-R279 CarbonylContact O-C 3.52Å; A276-R279 PolarHBondContact O-N 3.33Å; A276-R279 VanDerWaalsContact O-N 3.09Å; Q277-R279 PolarHBondContact O-N 3.13Å; R279-A281 VanDerWaalsContact C-N 3.28Å; R279-A281 HydrophobicContact CB-CB 4.27Å
280G97.6Very high95.6Very high65 Ų6565.7 Ų65.767%0.6733%0.326SS*.THydrogen-bonded Turntrans70.125-169.300000113.8A276 Q277A276-G280 PolarHBondContact O-N 2.76Å; A276-G280 VanDerWaalsContact O-N 3.08Å; Q277-G280 PolarHBondContact O-N 3.34Å
281A97.9Very high95.2Very high10 Ų1060.4 Ų60.48%0.08330%0.301CS..  trans-101.8177.7178.100000111.8M248 N254 A276 R279M248-A281 HydrophobicContact CE-CB 3.51Å; N254-A281 HydrophobicContact CB-CB 4.37Å; N254-A281 CarbonylContact O-C 3.57Å; N254-A281 WeakPolarHBondContact O-CA 3.44Å; N254-A281 VanDerWaalsContact O-CB 3.22Å; N254-A281 WeakPolarHBondContact O-CB 3.4Å; A276-A281 HydrophobicContact CB-CB 4.07Å; A276-A281 WeakPolarHBondContact O-CA 3.43Å; A276-A281 WeakPolarHBondContact O-CB 3.12Å; A276-A281 PolarHBondContact O-N 2.91Å; R279-A281 VanDerWaalsContact C-N 3.28Å; R279-A281 HydrophobicContact CB-CB 4.27Å
282K97.5Very high94.8Very high131 Ų13161.1 Ų61.157%0.5731%0.305SS*.EExtended strand (participates in β ladder)trans-125145.5178.5-64.8178.8-176.71730111.8N254 E255 V256 Y284N254-K282 PolarHBondContact O-N 3.4Å; E255-K282 CarbonylContact C-O 3.53Å; E255-K282 WeakPolarHBondContact CA-O 3.38Å; V256-K282 PolarHBondContact N-O 2.83Å; K282-Y284 HydrophobicContact CB-CE2 3.97Å
283V97.9Very high94.7Very high32 Ų3261.7 Ų61.719%0.19431%0.308CS..EExtended strand (participates in β ladder)trans-104.6134.5170.2-178.20000110.3V256 V258 M272 D273 A276V256-V283 HydrophobicContact CB-CG2 4.35Å; V256-V283 CarbonylContact O-C 3.49Å; V256-V283 WeakPolarHBondContact O-CA 3.33Å; V258-V283 HydrophobicContact CG2-CG1 4.12Å; M272-V283 HydrophobicContact CB-CG1 4.47Å; M272-V283 HydrophobicContact CB-CG2 4.24Å; M272-V283 HydrophobicContact CG-CG1 4.19Å; M272-V283 HydrophobicContact CG-CG2 3.79Å; D273-V283 HydrophobicContact CB-CG2 4.33Å; A276-V283 HydrophobicContact CB-CG2 3.46Å; A276-V283 VanDerWaalsContact CB-CG2 3.46Å
284Y97.5Very high94.7Very high47 Ų4758.7 Ų58.718%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-114.3133.1170-62.8-90000108.2T121 A123 E255 V256 L257 V258 K282T121-Y284 WeakPolarHBondContact O-CD1 3.34Å; A123-Y284 HydrophobicContact CB-CD1 4.21Å; A123-Y284 HydrophobicContact CB-CD2 3.81Å; A123-Y284 HydrophobicContact CB-CE2 4.26Å; A123-Y284 HydrophobicContact CB-CG 3.78Å; E255-Y284 HydrophobicContact CB-CD2 4.4Å; E255-Y284 HydrophobicContact CB-CE2 4.09Å; E255-Y284 HydrophobicContact CG-CE2 3.89Å; V256-Y284 PolarHBondContact O-N 3.09Å; L257-Y284 CarbonylContact C-O 3.55Å; L257-Y284 WeakPolarHBondContact CA-O 3.34Å; V258-Y284 PolarHBondContact N-O 3.28Å; K282-Y284 HydrophobicContact CB-CE2 3.97Å
285A93.8Very high94.7Very high32 Ų3254 Ų5426%0.26427%0.268SS..EExtended strand (participates in β ladder)trans-138.7142.7175.500000109.3Q269Q269-A285 HydrophobicContact CG-CB 4.01Å
286T88.3Confident94.7Very high5 Ų553.5 Ų53.53%0.03127%0.265CS..  trans-83.1148.2174.256.70000110.9V120 T121 C291V120-T286 HydrophobicContact CG2-CG2 3.61Å; T121-T286 HydrophobicContact CG2-CG2 4.15Å; T286-C291 WeakPolarHBondContact OG1-CA 3.32Å; T286-C291 VanDerWaalsContact OG1-CB 3.24Å; T286-C291 WeakPolarHBondContact OG1-CB 3.34Å; T286-C291 PolarHBondContact OG1-N 2.88Å
287D86.4Confident94.7Very high63 Ų6353.5 Ų53.534%0.33727%0.265SS..  trans-76.2175.4169.567.863.5000113.1R289 Y290 C291D287-R289 VanDerWaalsContact CG-NE 3.34Å; D287-R289 PolarHBondContact O-N 2.99Å; D287-R289 WeakPolarHBondContact OD1-CA 3.22Å; D287-R289 WeakPolarHBondContact OD1-CB 3.29Å; D287-R289 WeakPolarHBondContact OD1-CG 3.44Å; D287-R289 IonicContact OD1-CZ 2.82Å; D287-R289 PolarHBondContact OD1-N 2.93Å; D287-R289 IonicContact OD1-NE 2.87Å; D287-R289 PolarHBondContact OD1-NE 3.19Å; D287-R289 IonicContact OD1-NH2 3.83Å; D287-R289 IonicContact OD2-CZ 3.73Å; D287-R289 IonicContact OD2-NE 3.82Å; D287-R289 PolarHBondContact OD2-NE 3.28Å; D287-R289 IonicContact OD2-NH2 3.77Å; D287-R289 PolarHBondContact OD2-NH2 3.48Å; D287-Y290 PolarHBondContact O-N 2.96Å; D287-C291 PolarHBondContact O-N 3.31Å
288E85.3Confident94.8Very high123 Ų12348 Ų4858%0.57524%0.239SC*.Hα-helixtrans-56.8-22.2-176.2-63-174.9156.200115.3R29 Y290R29-E288 PolarHBondContact NH2-O 3.22Å; E288-Y290 VanDerWaalsContact C-N 3.26Å; E288-Y290 PolarHBondContact O-N 3.44Å
289R90.8Very high94.8Very high152 Ų15240.3 Ų40.357%0.57420%0.203SC*.Hα-helixtrans-67.9-31.7177.8-56.8172.9-69.2177.1-0.6110.9R29 D287R29-R289 PolarHBondContact NH1-O 2.92Å; D287-R289 VanDerWaalsContact CG-NE 3.34Å; D287-R289 PolarHBondContact O-N 2.99Å; D287-R289 WeakPolarHBondContact OD1-CA 3.22Å; D287-R289 WeakPolarHBondContact OD1-CB 3.29Å; D287-R289 WeakPolarHBondContact OD1-CG 3.44Å; D287-R289 IonicContact OD1-CZ 2.82Å; D287-R289 PolarHBondContact OD1-N 2.93Å; D287-R289 IonicContact OD1-NE 2.87Å; D287-R289 PolarHBondContact OD1-NE 3.19Å; D287-R289 IonicContact OD1-NH2 3.83Å; D287-R289 IonicContact OD2-CZ 3.73Å; D287-R289 IonicContact OD2-NE 3.82Å; D287-R289 PolarHBondContact OD2-NE 3.28Å; D287-R289 IonicContact OD2-NH2 3.77Å; D287-R289 PolarHBondContact OD2-NH2 3.48Å
290Y93.7Very high94.9Very high35 Ų3536.3 Ų36.314%0.13719%0.189CC..Hα-helixtrans-119.4-24.8-171.5-53.1-68.3000114.5V24 M116 V120 D287 E288 I292 N294V24-Y290 HydrophobicContact CG2-CE1 4.09Å; M116-Y290 HydrophobicContact CG-CD1 3.99Å; M116-Y290 HydrophobicContact CG-CG 4.25Å; M116-Y290 HydrophobicContact SD-CD1 3.71Å; M116-Y290 HydrophobicContact SD-CE1 4.1Å; M116-Y290 HydrophobicContact SD-CG 4.31Å; V120-Y290 HydrophobicContact CB-CD2 4.31Å; V120-Y290 HydrophobicContact CB-CE2 4.46Å; V120-Y290 HydrophobicContact CG1-CD1 4.37Å; V120-Y290 HydrophobicContact CG1-CD2 3.9Å; V120-Y290 HydrophobicContact CG1-CE1 4.38Å; V120-Y290 HydrophobicContact CG1-CE2 3.91Å; V120-Y290 HydrophobicContact CG1-CG 4.13Å; V120-Y290 HydrophobicContact CG2-CD2 4.23Å; D287-Y290 PolarHBondContact O-N 2.96Å; E288-Y290 VanDerWaalsContact C-N 3.26Å; E288-Y290 PolarHBondContact O-N 3.44Å; Y290-I292 VanDerWaalsContact C-N 3.32Å; Y290-I292 PolarHBondContact O-N 2.74Å; Y290-N294 PolarHBondContact O-ND2 2.95Å
291C89.5Confident94.9Very high0 Ų033.2 Ų33.20%016%0.157CC..Hα-helixtrans-68.3-33.2178.877.80000112.4H113 G260 G261 C264 T286 D287H113-C291 PolarHBondContact CE1-O 2.87Å; G260-C291 CarbonylContact C-O 3.54Å; G260-C291 WeakPolarHBondContact CA-O 3.47Å; G261-C291 PolarHBondContact N-O 3.47Å; G261-C291 VanDerWaalsContact N-O 3.15Å; C264-C291 HydrophobicContact CB-CB 4.1Å; C264-C291 WeakPolarHBondContact CB-SG 3.25Å; C264-C291 WeakPolarHBondContact SG-CB 3.2Å; C264-C291 CovalentContact SG-SG 2.01Å; C264-C291 PolarHBondContact SG-SG 3.04Å; T286-C291 WeakPolarHBondContact OG1-CA 3.32Å; T286-C291 VanDerWaalsContact OG1-CB 3.24Å; T286-C291 WeakPolarHBondContact OG1-CB 3.34Å; T286-C291 PolarHBondContact OG1-N 2.88Å; D287-C291 PolarHBondContact O-N 3.31Å
292I90.6Very high95Very high44 Ų4432.8 Ų32.823%0.22615%0.153CC..SBendtrans-85137.7176-58.3-174.1000108.4K13 R29 Y290 N294K13-I292 HydrophobicContact CD-CG2 4.19Å; K13-I292 HydrophobicContact CG-CG2 3.81Å; R29-I292 PolarHBondContact NH1-O 3.15Å; Y290-I292 VanDerWaalsContact C-N 3.32Å; Y290-I292 PolarHBondContact O-N 2.74Å; I292-N294 PolarHBondContact O-N 2.78Å; I292-N294 PolarHBondContact O-ND2 3.32Å
293D96.1Very high95Very high12 Ų1226.8 Ų26.86%0.06413%0.127CC..  trans-40.5124.5177.8-50-27.7000111.7E8 K13 R29 H109 H113 M297E8-D293 HydrophobicContact CG-CB 3.9Å; K13-D293 HydrophobicContact CB-CB 4.22Å; R29-D293 WeakPolarHBondContact CD-O 3.41Å; H109-D293 IonicContact CE1-OD1 3.1Å; H109-D293 PolarHBondContact CE1-OD1 3.27Å; H109-D293 VanDerWaalsContact CE1-OD1 3.29Å; H109-D293 IonicContact NE2-OD1 2.78Å; H109-D293 PolarHBondContact NE2-OD1 3.17Å; H113-D293 IonicContact CE1-OD1 2.79Å; H113-D293 PolarHBondContact CE1-OD1 3.21Å; H113-D293 IonicContact NE2-OD1 3.31Å; H113-D293 PolarHBondContact NE2-OD1 3.28Å; D293-M297 HydrophobicContact CB-CE 4.39Å
294N98Very high95Very high0 Ų026.7 Ų26.70%013%0.125CC..  trans-147.7158.6-171.763.687.4000111.6E8 Y290 I292 A296 M297E8-N294 VanDerWaalsContact CB-O 3.31Å; E8-N294 WeakPolarHBondContact CB-O 3Å; Y290-N294 PolarHBondContact O-ND2 2.95Å; I292-N294 PolarHBondContact O-N 2.78Å; I292-N294 PolarHBondContact O-ND2 3.32Å; N294-A296 PolarHBondContact OD1-N 3.19Å; N294-M297 VanDerWaalsContact O-CG 3.3Å; N294-M297 WeakPolarHBondContact O-CG 3.39Å; N294-M297 PolarHBondContact OD1-N 3.47Å
295G98.7Very high95Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-73.9-28.8-178.500000113G6 N27 M297 I298 A299G6-G295 CarbonylContact C-O 3.56Å; G6-G295 WeakPolarHBondContact O-CA 3.5Å; N27-G295 PolarHBondContact OD1-N 3.06Å; G295-M297 VanDerWaalsContact C-N 3.35Å; G295-M297 PolarHBondContact O-N 3.19Å; G295-I298 WeakPolarHBondContact O-CB 3.41Å; G295-I298 PolarHBondContact O-N 2.75Å; G295-A299 PolarHBondContact O-N 3.2Å
296A98.6Very high95.2Very high0 Ų025.7 Ų25.70%012%0.116CC..Hα-helixtrans-63.6-36.6-178.500000112.9V19 V24 N27 M116 N294 I298 A299 H300V19-A296 HydrophobicContact CG2-CB 4.27Å; V24-A296 HydrophobicContact CG1-CB 3.84Å; V24-A296 HydrophobicContact CG2-CB 4.2Å; N27-A296 HydrophobicContact CB-CB 4.15Å; N27-A296 VanDerWaalsContact CG-CB 3.48Å; N27-A296 WeakPolarHBondContact OD1-CB 3.26Å; N27-A296 PolarHBondContact OD1-N 2.88Å; M116-A296 HydrophobicContact CE-CB 3.89Å; M116-A296 VanDerWaalsContact CE-O 3.26Å; M116-A296 WeakPolarHBondContact CE-O 3.39Å; N294-A296 PolarHBondContact OD1-N 3.19Å; A296-I298 VanDerWaalsContact C-N 3.26Å; A296-I298 PolarHBondContact O-N 3.27Å; A296-A299 PolarHBondContact O-N 3.39Å; A296-H300 WeakPolarHBondContact O-CB 3.44Å; A296-H300 PolarHBondContact O-N 2.94Å
297M98.4Very high95.6Very high0 Ų029.9 Ų29.90%014%0.135CC..Hα-helixtrans-63.4-36.4177.276.8-171.4-175.900112E8 H109 A112 M116 D293 N294 G295 T301E8-M297 HydrophobicContact CG-CE 3.93Å; E8-M297 WeakPolarHBondContact OE2-CE 3.35Å; H109-M297 VanDerWaalsContact CE1-CE 3.45Å; H109-M297 WeakPolarHBondContact CE1-CE 3.48Å; H109-M297 WeakPolarHBondContact ND1-CE 3.16Å; A112-M297 HydrophobicContact CB-CB 4.18Å; A112-M297 HydrophobicContact CB-CG 3.8Å; A112-M297 HydrophobicContact CB-SD 4.46Å; M116-M297 HydrophobicContact CB-CB 3.54Å; M116-M297 VanDerWaalsContact CE-CA 3.49Å; M116-M297 HydrophobicContact CE-CB 4.25Å; M116-M297 HydrophobicContact CG-CB 3.95Å; D293-M297 HydrophobicContact CB-CE 4.39Å; N294-M297 VanDerWaalsContact O-CG 3.3Å; N294-M297 WeakPolarHBondContact O-CG 3.39Å; N294-M297 PolarHBondContact OD1-N 3.47Å; G295-M297 VanDerWaalsContact C-N 3.35Å; G295-M297 PolarHBondContact O-N 3.19Å; M297-T301 WeakPolarHBondContact O-CB 3.29Å; M297-T301 PolarHBondContact O-N 3.35Å; M297-T301 VanDerWaalsContact O-N 3.11Å; M297-T301 PolarHBondContact O-OG1 3.05Å
298I98.9Very high96.1Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-70.4-42.9176.1-57.7-57.4000110.3E8 C75 T77 V107 A112 G295 A296 G302E8-I298 HydrophobicContact CB-CG1 3.9Å; C75-I298 HydrophobicContact CB-CG2 3.99Å; T77-I298 HydrophobicContact CG2-CD1 4.5Å; T77-I298 VanDerWaalsContact OG1-CD1 3.25Å; T77-I298 WeakPolarHBondContact OG1-CD1 3.35Å; T77-I298 WeakPolarHBondContact OG1-CG1 3.36Å; V107-I298 HydrophobicContact CB-CD1 4.36Å; V107-I298 HydrophobicContact CB-CG2 4.08Å; V107-I298 HydrophobicContact CG1-CD1 4.1Å; V107-I298 HydrophobicContact CG2-CG2 4.04Å; A112-I298 HydrophobicContact CB-CD1 3.68Å; G295-I298 WeakPolarHBondContact O-CB 3.41Å; G295-I298 PolarHBondContact O-N 2.75Å; A296-I298 VanDerWaalsContact C-N 3.26Å; A296-I298 PolarHBondContact O-N 3.27Å; I298-G302 PolarHBondContact O-N 2.93Å
299A98.8Very high96.6Very high0 Ų025.4 Ų25.40%013%0.129CC..Hα-helixtrans-61.1-50176.900000111.2A4 V19 G295 A296 G302 M303A4-A299 HydrophobicContact CB-CB 4.3Å; A4-A299 WeakPolarHBondContact CB-O 3.5Å; V19-A299 HydrophobicContact CB-CB 4.03Å; V19-A299 HydrophobicContact CG2-CB 3.76Å; G295-A299 PolarHBondContact O-N 3.2Å; A296-A299 PolarHBondContact O-N 3.39Å; A299-G302 PolarHBondContact O-N 2.96Å; A299-M303 VanDerWaalsContact O-CB 3.32Å; A299-M303 WeakPolarHBondContact O-CB 3.41Å; A299-M303 PolarHBondContact O-N 2.96Å
300H98.5Very high96.9Very high11 Ų1119.9 Ų19.95%0.05111%0.109CC..Hα-helixtrans-60.8-49.7-179.1177.453000112V19 M116 A296 G302 M303 L304V19-H300 HydrophobicContact CG1-CB 4.41Å; V19-H300 HydrophobicContact CG2-CB 4.31Å; M116-H300 HydrophobicContact CE-CB 3.82Å; A296-H300 WeakPolarHBondContact O-CB 3.44Å; A296-H300 PolarHBondContact O-N 2.94Å; H300-G302 PolarHBondContact O-N 3.43Å; H300-M303 WeakPolarHBondContact O-CB 3.37Å; H300-M303 PolarHBondContact O-N 3.34Å; H300-L304 WeakPolarHBondContact O-CG 3.42Å; H300-L304 PolarHBondContact O-N 3.06Å
301T98.6Very high97Very high1 Ų124.8 Ų24.81%0.00613%0.128CC..Hα-helixtrans-66.8-40.4-178.9-51.50000111.5V107 V111 A112 E115 M297 M303 L304 M305 W332V107-T301 HydrophobicContact CG1-CG2 3.66Å; V111-T301 HydrophobicContact CG1-CG2 3.99Å; A112-T301 VanDerWaalsContact CA-OG1 3.23Å; A112-T301 WeakPolarHBondContact CA-OG1 3.29Å; E115-T301 HydrophobicContact CG-CG2 4.19Å; M297-T301 WeakPolarHBondContact O-CB 3.29Å; M297-T301 PolarHBondContact O-N 3.35Å; M297-T301 VanDerWaalsContact O-N 3.11Å; M297-T301 PolarHBondContact O-OG1 3.05Å; T301-M303 VanDerWaalsContact C-N 3.31Å; T301-M303 PolarHBondContact O-N 3.32Å; T301-L304 PolarHBondContact O-N 3.2Å; T301-M305 HydrophobicContact CG2-SD 4.37Å; T301-M305 VanDerWaalsContact O-CG 3.28Å; T301-M305 WeakPolarHBondContact O-CG 3.37Å; T301-M305 PolarHBondContact O-N 3.11Å; T301-W332 HydrophobicContact CG2-CH2 4.42Å; T301-W332 HydrophobicContact CG2-CZ2 4.33Å
302G98.5Very high97.4Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-65.2-33.7175.200000113C75 L105 I298 A299 H300 M305 Y306C75-G302 VanDerWaalsContact SG-CA 3.54Å; L105-G302 WeakPolarHBondContact CD1-O 3.05Å; I298-G302 PolarHBondContact O-N 2.93Å; A299-G302 PolarHBondContact O-N 2.96Å; H300-G302 PolarHBondContact O-N 3.43Å; G302-M305 PolarHBondContact O-N 2.75Å; G302-Y306 VanDerWaalsContact O-CB 3.28Å; G302-Y306 WeakPolarHBondContact O-CB 3.44Å; G302-Y306 PolarHBondContact O-N 3.36Å
303M98.3Very high97.6Very high5 Ų526.6 Ų26.63%0.02514%0.14CC..Hα-helixtrans-62.6-47.8171-172.9-173.480.200111.1T2 A4 V19 A299 H300 T301 M305 Y306 E307T2-M303 HydrophobicContact CG2-CG 3.73Å; A4-M303 HydrophobicContact CB-CB 3.79Å; A4-M303 HydrophobicContact CB-CG 4.39Å; V19-M303 HydrophobicContact CG1-CE 4.35Å; V19-M303 HydrophobicContact CG1-SD 4.02Å; A299-M303 VanDerWaalsContact O-CB 3.32Å; A299-M303 WeakPolarHBondContact O-CB 3.41Å; A299-M303 PolarHBondContact O-N 2.96Å; H300-M303 WeakPolarHBondContact O-CB 3.37Å; H300-M303 PolarHBondContact O-N 3.34Å; T301-M303 VanDerWaalsContact C-N 3.31Å; T301-M303 PolarHBondContact O-N 3.32Å; M303-M305 VanDerWaalsContact C-N 3.32Å; M303-M305 PolarHBondContact O-N 3.21Å; M303-Y306 WeakPolarHBondContact O-CB 3.46Å; M303-Y306 PolarHBondContact O-N 3.29Å; M303-Y306 VanDerWaalsContact O-N 3.1Å; M303-E307 HydrophobicContact CG-CG 4.42Å; M303-E307 WeakPolarHBondContact O-CB 3.37Å; M303-E307 VanDerWaalsContact O-CG 3.3Å; M303-E307 WeakPolarHBondContact O-CG 3.47Å; M303-E307 PolarHBondContact O-N 2.88Å
304L97.8Very high97.7Very high30 Ų3028.7 Ų28.716%0.15715%0.15CC..Hα-helixtrans-58.7-43175.9-65.8174000112.1E115 H300 T301 C308 W332E115-L304 HydrophobicContact CB-CD1 4.26Å; E115-L304 HydrophobicContact CG-CD1 4.19Å; H300-L304 WeakPolarHBondContact O-CG 3.42Å; H300-L304 PolarHBondContact O-N 3.06Å; T301-L304 PolarHBondContact O-N 3.2Å; L304-C308 PolarHBondContact O-N 3.21Å; L304-C308 PolarHBondContact O-SG 3Å; L304-W332 HydrophobicContact CB-CB 4.16Å; L304-W332 HydrophobicContact CB-CD2 4.03Å; L304-W332 HydrophobicContact CB-CG 3.84Å; L304-W332 HydrophobicContact CD1-CG 4.34Å
305M98Very high97.6Very high13 Ų1335.9 Ų35.96%0.06418%0.184CC..Hα-helixtrans-61.7-44.2174.2-69.2170.370.200111.5L105 V107 T301 G302 M303 C308 Q310 W332L105-M305 HydrophobicContact CD1-CB 3.98Å; V107-M305 HydrophobicContact CG2-SD 4.08Å; T301-M305 HydrophobicContact CG2-SD 4.37Å; T301-M305 VanDerWaalsContact O-CG 3.28Å; T301-M305 WeakPolarHBondContact O-CG 3.37Å; T301-M305 PolarHBondContact O-N 3.11Å; G302-M305 PolarHBondContact O-N 2.75Å; M303-M305 VanDerWaalsContact C-N 3.32Å; M303-M305 PolarHBondContact O-N 3.21Å; M305-C308 PolarHBondContact O-SG 3.26Å; M305-Q310 HydrophobicContact CB-CB 4.34Å; M305-Q310 VanDerWaalsContact CG-OE1 3.31Å; M305-Q310 VanDerWaalsContact O-CB 3.25Å; M305-Q310 WeakPolarHBondContact O-CB 3.39Å; M305-Q310 PolarHBondContact O-N 2.76Å; M305-W332 HydrophobicContact CG-CE3 4.04Å; M305-W332 HydrophobicContact CG-CH2 4Å; M305-W332 HydrophobicContact CG-CZ3 3.45Å; M305-W332 VanDerWaalsContact CG-CZ3 3.45Å
306Y97.7Very high97.5Very high46 Ų4641.1 Ų41.118%0.1821%0.209CC..Hα-helixtrans-64.6-45.4-179.6179.6-99.9000112.5T2 D72 V73 P103 L105 G302 M303 C308 G309 R311T2-Y306 HydrophobicContact CG2-CD1 3.73Å; T2-Y306 HydrophobicContact CG2-CE1 4.08Å; D72-Y306 HydrophobicContact CB-CE1 4.4Å; V73-Y306 HydrophobicContact CB-CD2 3.87Å; V73-Y306 HydrophobicContact CB-CE2 4.26Å; V73-Y306 HydrophobicContact CB-CG 4.05Å; V73-Y306 HydrophobicContact CG1-CD1 4.44Å; V73-Y306 HydrophobicContact CG1-CD2 4.39Å; V73-Y306 HydrophobicContact CG1-CG 4.05Å; V73-Y306 HydrophobicContact CG2-CD2 3.91Å; V73-Y306 HydrophobicContact CG2-CG 4.31Å; P103-Y306 HydrophobicContact CB-CE2 4.07Å; P103-Y306 HydrophobicContact CG-CE2 3.92Å; L105-Y306 HydrophobicContact CD1-CD2 4.37Å; G302-Y306 VanDerWaalsContact O-CB 3.28Å; G302-Y306 WeakPolarHBondContact O-CB 3.44Å; G302-Y306 PolarHBondContact O-N 3.36Å; M303-Y306 WeakPolarHBondContact O-CB 3.46Å; M303-Y306 PolarHBondContact O-N 3.29Å; M303-Y306 VanDerWaalsContact O-N 3.1Å; Y306-C308 VanDerWaalsContact C-N 3.34Å; Y306-C308 PolarHBondContact O-N 3.42Å; Y306-G309 PolarHBondContact O-N 2.9Å; Y306-R311 PolarHBondContact O-NH1 3.49Å
307E96.8Very high97.5Very high92 Ų9241.1 Ų41.143%0.4321%0.209SC..Hα-helixtrans-66.2-33.5-178.6-73174.2167.200112.4T2 M303 G309T2-E307 WeakPolarHBondContact CB-OE1 3.3Å; T2-E307 HydrophobicContact CG2-CG 4.44Å; M303-E307 HydrophobicContact CG-CG 4.42Å; M303-E307 WeakPolarHBondContact O-CB 3.37Å; M303-E307 VanDerWaalsContact O-CG 3.3Å; M303-E307 WeakPolarHBondContact O-CG 3.47Å; M303-E307 PolarHBondContact O-N 2.88Å; E307-G309 PolarHBondContact O-N 3.1Å
308C96Very high97.4Very high47 Ų4745.6 Ų45.632%0.31823%0.23SC..THydrogen-bonded Turntrans-81.18.7172.568.10000113.9L304 M305 Y306 L331 W332L304-C308 PolarHBondContact O-N 3.21Å; L304-C308 PolarHBondContact O-SG 3Å; M305-C308 PolarHBondContact O-SG 3.26Å; Y306-C308 VanDerWaalsContact C-N 3.34Å; Y306-C308 PolarHBondContact O-N 3.42Å; C308-L331 HydrophobicContact CB-CB 4.44Å; C308-W332 HydrophobicContact CB-CB 4.45Å
309G96.6Very high97.4Very high46 Ų4647 Ų4747%0.47424%0.239SC..THydrogen-bonded Turntrans88.25.817200000115Y306 E307 R311Y306-G309 PolarHBondContact O-N 2.9Å; E307-G309 PolarHBondContact O-N 3.1Å; G309-R311 PolarHBondContact O-N 3.17Å
310Q96.8Very high97.3Very high35 Ų3549.8 Ų49.816%0.16425%0.254CS..  trans-65.4137.5174.3-62.6-175-9.500110.2M305 P329 L331M305-Q310 HydrophobicContact CB-CB 4.34Å; M305-Q310 VanDerWaalsContact CG-OE1 3.31Å; M305-Q310 VanDerWaalsContact O-CB 3.25Å; M305-Q310 WeakPolarHBondContact O-CB 3.39Å; M305-Q310 PolarHBondContact O-N 2.76Å; Q310-P329 PolarHBondContact NE2-O 3.01Å; Q310-L331 HydrophobicContact CG-CD1 4.01Å
311R96.4Very high97.3Very high138 Ų13855.3 Ų55.352%0.52128%0.279SS..  trans-135.1151178.2-61.3-64.5178.5-92.24.2108.4Y306 G309Y306-R311 PolarHBondContact O-NH1 3.49Å; G309-R311 PolarHBondContact O-N 3.17Å
312Q96.3Very high97.2Very high27 Ų2766.4 Ų66.413%0.12632%0.321CS..BIsolated β-bridgetrans-136.4121.4178.2-176-172.726.600109.3L105 E316L105-Q312 HydrophobicContact CD2-CB 3.96Å; Q312-E316 HydrophobicContact CG-CB 4.27Å; Q312-E316 PolarHBondContact NE2-O 3.33Å
313P96.7Very high97.2Very high55 Ų5568.1 Ų68.136%0.35733%0.328SS..  trans-69.5151.317130.1-33000110.1E315 E316P313-E315 WeakPolarHBondContact CB-OE2 3.48Å; P313-E315 PolarHBondContact O-N 3.04Å; P313-E316 HydrophobicContact CG-CB 3.98Å; P313-E316 VanDerWaalsContact CG-CD 3.45Å; P313-E316 HydrophobicContact CG-CG 3.73Å; P313-E316 WeakPolarHBondContact CG-OE1 3.44Å; P313-E316 PolarHBondContact O-N 3.24Å
314I96.7Very high97.2Very high56 Ų5672.6 Ų72.629%0.28735%0.345SS..G310 helixtrans-63.5-27.7-174.9-162.9168.4000111.8R94 L98 L104 E316 S317R94-I314 HydrophobicContact CB-CD1 4.11Å; R94-I314 HydrophobicContact CG-CD1 4.23Å; R94-I314 HydrophobicContact CG-CG1 4.08Å; L98-I314 HydrophobicContact CD1-CD1 3.58Å; L98-I314 HydrophobicContact CD2-CD1 3.77Å; L98-I314 HydrophobicContact CG-CD1 3.62Å; L104-I314 HydrophobicContact CD2-CG1 4.28Å; I314-E316 PolarHBondContact O-N 3.21Å; I314-S317 VanDerWaalsContact O-CB 3.26Å; I314-S317 WeakPolarHBondContact O-CB 3.36Å; I314-S317 PolarHBondContact O-N 3.07Å; I314-S317 PolarHBondContact O-OG 3.32Å
315E96.5Very high97.2Very high151 Ų15171.2 Ų71.271%0.70634%0.337SS*.G310 helixtrans-65.2-25.6176.4-61.574.7-16300112.5P313 Q318P313-E315 WeakPolarHBondContact CB-OE2 3.48Å; P313-E315 PolarHBondContact O-N 3.04Å; E315-Q318 PolarHBondContact O-OE1 2.7Å
316E96.4Very high97.1Very high110 Ų11072.3 Ų72.351%0.51434%0.343SS..G310 helixtrans-97.710.9178.3-67.6177.5-156.400112.9K78 Q312 P313 I314 Q318K78-E316 WeakPolarHBondContact CE-O 3.33Å; K78-E316 PolarHBondContact NZ-O 3.37Å; Q312-E316 HydrophobicContact CG-CB 4.27Å; Q312-E316 PolarHBondContact NE2-O 3.33Å; P313-E316 HydrophobicContact CG-CB 3.98Å; P313-E316 VanDerWaalsContact CG-CD 3.45Å; P313-E316 HydrophobicContact CG-CG 3.73Å; P313-E316 WeakPolarHBondContact CG-OE1 3.44Å; P313-E316 PolarHBondContact O-N 3.24Å; I314-E316 PolarHBondContact O-N 3.21Å; E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 2.87Å; E316-Q318 PolarHBondContact O-OE1 3.45Å
317S97.9Very high97Very high0 Ų074.3 Ų74.30%036%0.357CS..  trans-87.114.4-17675.50000114.5Y76 R94 I314Y76-S317 WeakPolarHBondContact OH-CA 3.41Å; Y76-S317 WeakPolarHBondContact OH-CB 3.42Å; Y76-S317 PolarHBondContact OH-O 3.04Å; R94-S317 VanDerWaalsContact CZ-OG 3.31Å; R94-S317 PolarHBondContact NE-OG 3.04Å; R94-S317 PolarHBondContact NH2-O 3.37Å; R94-S317 PolarHBondContact NH2-OG 3.49Å; I314-S317 VanDerWaalsContact O-CB 3.26Å; I314-S317 WeakPolarHBondContact O-CB 3.36Å; I314-S317 PolarHBondContact O-N 3.07Å; I314-S317 PolarHBondContact O-OG 3.32Å
318Q97.5Very high97Very high95 Ų9570.1 Ų70.144%0.44434%0.338SS..  trans-56.6139.3174.963.6-79.7500112.5K78 E315 E316 L320K78-Q318 WeakPolarHBondContact CE-O 3.41Å; K78-Q318 WeakPolarHBondContact CG-O 3.37Å; E315-Q318 PolarHBondContact O-OE1 2.7Å; E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 2.87Å; E316-Q318 PolarHBondContact O-OE1 3.45Å; Q318-L320 HydrophobicContact CG-CD2 4.49Å
319C98.3Very high97Very high29 Ų2970.3 Ų70.320%0.19634%0.339CS..  trans-70.9148.7172.7-58.20000110.7K78 L86 A90K78-C319 CarbonylContact O-C 3.55Å; K78-C319 VanDerWaalsContact O-CA 3.29Å; K78-C319 WeakPolarHBondContact O-CA 3.22Å; L86-C319 HydrophobicContact CB-CB 3.95Å; L86-C319 HydrophobicContact CD1-CB 4.35Å; L86-C319 PolarHBondContact O-SG 3.48Å; A90-C319 WeakPolarHBondContact CB-SG 3.37Å
320L98Very high97.1Very high59 Ų5968.1 Ų68.131%0.30932%0.316SS..  trans-124.6100.9-179.9-62.1179.2000108.7K78 G79 P80 Q318 R322 Y323K78-L320 HydrophobicContact CD-CD1 4.43Å; K78-L320 HydrophobicContact CG-CG 4.41Å; K78-L320 PolarHBondContact O-N 3.48Å; G79-L320 WeakPolarHBondContact CA-O 3.3Å; P80-L320 WeakPolarHBondContact CA-O 3.3Å; Q318-L320 HydrophobicContact CG-CD2 4.49Å; L320-R322 PolarHBondContact O-N 3.3Å; L320-R322 VanDerWaalsContact O-N 3.12Å; L320-Y323 HydrophobicContact CB-CG 4.32Å; L320-Y323 HydrophobicContact CD1-CD1 4.28Å; L320-Y323 HydrophobicContact CD1-CD2 3.97Å; L320-Y323 HydrophobicContact CD1-CE2 4.31Å; L320-Y323 HydrophobicContact CD1-CG 3.94Å
321Q97.4Very high97.1Very high126 Ų12670.4 Ų70.459%0.58933%0.329SS*.SBendtrans-57.3-30.4177.1-70-172.189.100112.1P80 G81 G83P80-Q321 WeakPolarHBondContact CA-O 3.28Å; P80-Q321 VanDerWaalsContact CB-O 3.27Å; P80-Q321 WeakPolarHBondContact CB-O 3.37Å; G81-Q321 PolarHBondContact N-O 3.04Å; G81-Q321 WeakPolarHBondContact O-CA 3.39Å; G81-Q321 WeakPolarHBondContact O-CG 3.32Å; G83-Q321 VanDerWaalsContact N-OE1 3.11Å
322R97.2Very high97Very high234 Ų23466 Ų6688%0.88331%0.312SS*.SBendtrans-116.496.5173.8-60.9176.6-176169.2-0.5108.4L320L320-R322 PolarHBondContact O-N 3.3Å; L320-R322 VanDerWaalsContact O-N 3.12Å
323Y97.8Very high96.9Very high37 Ų3766.1 Ų66.115%0.14531%0.312CS..  trans-124.895.1175.1-167.9-166.8000108.9K78 P80 N108 L320 N327 V328K78-Y323 HydrophobicContact CB-CD1 4.32Å; K78-Y323 HydrophobicContact CB-CE1 4.24Å; K78-Y323 HydrophobicContact CD-CE1 4.27Å; P80-Y323 WeakPolarHBondContact CD-O 3.48Å; N108-Y323 HydrophobicContact CB-CD1 3.92Å; N108-Y323 HydrophobicContact CB-CE1 3.71Å; N108-Y323 VanDerWaalsContact ND2-CD1 3.29Å; N108-Y323 WeakPolarHBondContact ND2-CD1 3.29Å; N108-Y323 VanDerWaalsContact ND2-CG 3.31Å; N108-Y323 PolarHBondContact ND2-O 3.24Å; L320-Y323 HydrophobicContact CB-CG 4.32Å; L320-Y323 HydrophobicContact CD1-CD1 4.28Å; L320-Y323 HydrophobicContact CD1-CD2 3.97Å; L320-Y323 HydrophobicContact CD1-CE2 4.31Å; L320-Y323 HydrophobicContact CD1-CG 3.94Å; Y323-N327 HydrophobicContact CD2-CB 4.29Å; Y323-N327 HydrophobicContact CE2-CB 4.03Å; Y323-V328 HydrophobicContact CE1-CG2 4.34Å; Y323-V328 HydrophobicContact CE2-CG2 4.03Å
324R97.8Very high96.1Very high99 Ų9977.8 Ų77.837%0.37435%0.348SS..  trans-64.1145.3-177.4-65.6-177.556.789.4-6111.6I148 E151 D326 N327I148-R324 VanDerWaalsContact CD1-NH2 3.31Å; E151-R324 IonicContact OE1-CZ 2.66Å; E151-R324 IonicContact OE1-NH1 3.74Å; E151-R324 PolarHBondContact OE1-NH1 3.48Å; E151-R324 IonicContact OE1-NH2 3.89Å; E151-R324 PolarHBondContact OE1-NH2 2.84Å; E151-R324 IonicContact OE2-NH1 2.8Å; R324-D326 VanDerWaalsContact C-N 3.27Å; R324-D326 WeakPolarHBondContact CB-OD1 3.5Å; R324-D326 IonicContact CZ-OD1 3.8Å; R324-D326 IonicContact CZ-OD2 2.78Å; R324-D326 IonicContact NE-OD1 3.88Å; R324-D326 PolarHBondContact NE-OD1 3.29Å; R324-D326 IonicContact NE-OD2 3.59Å; R324-D326 PolarHBondContact NE-OD2 3.09Å; R324-D326 VanDerWaalsContact NE-OD2 3.17Å; R324-D326 IonicContact NH2-OD1 3.33Å; R324-D326 IonicContact NH2-OD2 3.28Å; R324-D326 PolarHBondContact NH2-OD2 2.99Å; R324-D326 PolarHBondContact O-N 3.48Å; R324-N327 WeakPolarHBondContact O-CB 3.39Å; R324-N327 PolarHBondContact O-N 3.36Å
325T97.9Very high96.1Very high0 Ų078.9 Ų78.90%035%0.351CS..G310 helixtrans-56.5-42.1178.1-45.20000111.6C110 V111 I114 Q137 I139 Y146 N327 V328C110-T325 HydrophobicContact CB-CG2 4.04Å; C110-T325 VanDerWaalsContact CB-OG1 3.29Å; C110-T325 WeakPolarHBondContact CB-OG1 3.45Å; V111-T325 HydrophobicContact CG2-CG2 4.04Å; I114-T325 HydrophobicContact CD1-CG2 4.17Å; Q137-T325 PolarHBondContact OE1-OG1 3.18Å; I139-T325 HydrophobicContact CD1-CG2 3.95Å; I139-T325 HydrophobicContact CG2-CG2 4.34Å; Y146-T325 CarbonylContact O-C 3.55Å; T325-N327 VanDerWaalsContact C-N 3.26Å; T325-N327 PolarHBondContact O-N 3.39Å; T325-V328 PolarHBondContact O-N 3.39Å
326D96.7Very high96.1Very high36 Ų3675.1 Ų75.119%0.19333%0.333CS..G310 helixtrans-72.9-11.6-178.654.212000114.4R145 Y146 R324 V328R145-D326 WeakPolarHBondContact CD-O 3.49Å; R145-D326 PolarHBondContact NH1-O 2.88Å; Y146-D326 WeakPolarHBondContact O-CA 3.11Å; Y146-D326 WeakPolarHBondContact O-CB 3.42Å; Y146-D326 PolarHBondContact O-N 2.92Å; R324-D326 VanDerWaalsContact C-N 3.27Å; R324-D326 WeakPolarHBondContact CB-OD1 3.5Å; R324-D326 IonicContact CZ-OD1 3.8Å; R324-D326 IonicContact CZ-OD2 2.78Å; R324-D326 IonicContact NE-OD1 3.88Å; R324-D326 PolarHBondContact NE-OD1 3.29Å; R324-D326 IonicContact NE-OD2 3.59Å; R324-D326 PolarHBondContact NE-OD2 3.09Å; R324-D326 VanDerWaalsContact NE-OD2 3.17Å; R324-D326 IonicContact NH2-OD1 3.33Å; R324-D326 IonicContact NH2-OD2 3.28Å; R324-D326 PolarHBondContact NH2-OD2 2.99Å; R324-D326 PolarHBondContact O-N 3.48Å; D326-V328 VanDerWaalsContact C-N 3.28Å; D326-V328 PolarHBondContact O-N 3.48Å
327N96.4Very high96.1Very high89 Ų8973.1 Ų73.148%0.47632%0.323SS..G310 helixtrans-75.8-16.8175.4-72.8-19.3000113R145 Y323 R324 T325 P329R145-N327 VanDerWaalsContact NH1-C 3.25Å; R145-N327 PolarHBondContact NH1-O 2.74Å; R145-N327 VanDerWaalsContact NH1-O 3.08Å; Y323-N327 HydrophobicContact CD2-CB 4.29Å; Y323-N327 HydrophobicContact CE2-CB 4.03Å; R324-N327 WeakPolarHBondContact O-CB 3.39Å; R324-N327 PolarHBondContact O-N 3.36Å; T325-N327 VanDerWaalsContact C-N 3.26Å; T325-N327 PolarHBondContact O-N 3.39Å; N327-P329 WeakPolarHBondContact O-CD 3.45Å
328V96.4Very high96Very high4 Ų477.4 Ų77.42%0.02434%0.342CS..SBendtrans-87.3121.8-174.3-175.70000111N108 V111 Y323 T325 D326 V330 W332N108-V328 HydrophobicContact CB-CG2 3.45Å; N108-V328 VanDerWaalsContact CB-CG2 3.45Å; V111-V328 HydrophobicContact CG2-CB 4.07Å; V111-V328 HydrophobicContact CG2-CG1 4.29Å; V111-V328 HydrophobicContact CG2-CG2 3.98Å; Y323-V328 HydrophobicContact CE1-CG2 4.34Å; Y323-V328 HydrophobicContact CE2-CG2 4.03Å; T325-V328 PolarHBondContact O-N 3.39Å; D326-V328 VanDerWaalsContact C-N 3.28Å; D326-V328 PolarHBondContact O-N 3.48Å; V328-V330 PolarHBondContact O-N 3.47Å; V328-W332 HydrophobicContact CG1-CH2 4.4Å
329P96.2Very high95.9Very high51 Ų5176.3 Ų76.333%0.33134%0.335SS..BIsolated β-bridgetrans-70.8123166.7-14.130.1000110.4Q310 N327 L331Q310-P329 PolarHBondContact NE2-O 3.01Å; N327-P329 WeakPolarHBondContact O-CD 3.45Å; P329-L331 HydrophobicContact CB-CD2 3.98Å; P329-L331 HydrophobicContact CB-CG 4.16Å; P329-L331 PolarHBondContact O-N 2.98Å
330V97.4Very high95.7Very high0 Ų079.5 Ų79.50%035%0.345CS..  trans-98.675.7-178.9-175.80000108.4Y141 Q144 Y146 V328 W332 R333Y141-V330 HydrophobicContact CD2-CG1 4.24Å; Y141-V330 HydrophobicContact CE2-CB 3.87Å; Y141-V330 HydrophobicContact CE2-CG1 3.67Å; Y141-V330 HydrophobicContact CE2-CG2 4.49Å; Q144-V330 WeakPolarHBondContact O-CB 3.32Å; Q144-V330 PolarHBondContact O-N 3.38Å; Y146-V330 HydrophobicContact CD2-CG1 4.5Å; Y146-V330 HydrophobicContact CD2-CG2 3.48Å; Y146-V330 VanDerWaalsContact CD2-CG2 3.48Å; Y146-V330 HydrophobicContact CE2-CG1 3.94Å; Y146-V330 HydrophobicContact CE2-CG2 3.76Å; Y146-V330 HydrophobicContact CG-CG2 4.33Å; V328-V330 PolarHBondContact O-N 3.47Å; V330-W332 VanDerWaalsContact C-N 3.28Å; V330-W332 HydrophobicContact CB-CH2 4.41Å; V330-W332 HydrophobicContact CB-CZ2 4.32Å; V330-W332 HydrophobicContact CG1-CD2 4.01Å; V330-W332 HydrophobicContact CG1-CH2 4.21Å; V330-W332 HydrophobicContact CG1-CZ2 3.66Å; V330-W332 HydrophobicContact CG2-CH2 4.39Å; V330-W332 HydrophobicContact CG2-CZ2 4.36Å; V330-W332 PolarHBondContact O-N 2.97Å; V330-R333 HydrophobicContact CG1-CB 4.01Å; V330-R333 HydrophobicContact CG1-CG 3.88Å
331L96.3Very high95.5Very high83 Ų8380.9 Ų80.944%0.43535%0.347SS..THydrogen-bonded Turntrans-79.1-9.8-172.2-55.6-177.7000113.9C308 Q310 P329C308-L331 HydrophobicContact CB-CB 4.44Å; Q310-L331 HydrophobicContact CG-CD1 4.01Å; P329-L331 HydrophobicContact CB-CD2 3.98Å; P329-L331 HydrophobicContact CB-CG 4.16Å; P329-L331 PolarHBondContact O-N 2.98Å
332W95.6Very high95.4Very high44 Ų4477.5 Ų77.517%0.16733%0.329CS..THydrogen-bonded Turntrans-89.4-10.2-179.85889.1000113.4V111 E115 T301 L304 M305 C308 V328 V330V111-W332 HydrophobicContact CG1-CH2 3.98Å; V111-W332 HydrophobicContact CG1-CZ2 3.75Å; E115-W332 HydrophobicContact CG-CZ2 4.01Å; E115-W332 PolarHBondContact OE1-NE1 3.17Å; E115-W332 PolarHBondContact OE2-NE1 3.38Å; T301-W332 HydrophobicContact CG2-CH2 4.42Å; T301-W332 HydrophobicContact CG2-CZ2 4.33Å; L304-W332 HydrophobicContact CB-CB 4.16Å; L304-W332 HydrophobicContact CB-CD2 4.03Å; L304-W332 HydrophobicContact CB-CG 3.84Å; L304-W332 HydrophobicContact CD1-CG 4.34Å; M305-W332 HydrophobicContact CG-CE3 4.04Å; M305-W332 HydrophobicContact CG-CH2 4Å; M305-W332 HydrophobicContact CG-CZ3 3.45Å; M305-W332 VanDerWaalsContact CG-CZ3 3.45Å; C308-W332 HydrophobicContact CB-CB 4.45Å; V328-W332 HydrophobicContact CG1-CH2 4.4Å; V330-W332 VanDerWaalsContact C-N 3.28Å; V330-W332 HydrophobicContact CB-CH2 4.41Å; V330-W332 HydrophobicContact CB-CZ2 4.32Å; V330-W332 HydrophobicContact CG1-CD2 4.01Å; V330-W332 HydrophobicContact CG1-CH2 4.21Å; V330-W332 HydrophobicContact CG1-CZ2 3.66Å; V330-W332 HydrophobicContact CG2-CH2 4.39Å; V330-W332 HydrophobicContact CG2-CZ2 4.36Å; V330-W332 PolarHBondContact O-N 2.97Å
333R93.6Very high95.2Very high31 Ų3164.4 Ų64.412%0.11728%0.282CS..  trans-102.1145.4175.1-68.4-167.967.4-169.2-8110.7R118 D124 D125 Y141 Y146 V330R118-R333 VanDerWaalsContact NH1-CZ 3.27Å; R118-R333 VanDerWaalsContact NH1-NH1 3.15Å; D124-R333 PolarHBondContact O-NH2 3.09Å; D125-R333 IonicContact OD1-CZ 3.47Å; D125-R333 IonicContact OD1-NH1 3.45Å; D125-R333 IonicContact OD1-NH2 3.29Å; D125-R333 PolarHBondContact OD1-NH2 3.19Å; Y141-R333 VanDerWaalsContact CB-NH1 3.32Å; Y141-R333 HydrophobicContact CE1-CB 4.14Å; Y141-R333 HydrophobicContact CE2-CB 3.76Å; Y141-R333 HydrophobicContact CE2-CG 4.39Å; Y141-R333 VanDerWaalsContact CZ-CB 3.46Å; Y141-R333 VanDerWaalsContact OH-CB 3.26Å; Y141-R333 WeakPolarHBondContact OH-CB 3.47Å; Y141-R333 PolarHBondContact OH-O 2.99Å; Y146-R333 WeakPolarHBondContact OH-CD 3.3Å; Y146-R333 PolarHBondContact OH-NH1 2.69Å; Y146-R333 VanDerWaalsContact OH-NH1 3.16Å; V330-R333 HydrophobicContact CG1-CB 4.01Å; V330-R333 HydrophobicContact CG1-CG 3.88Å
334R80.7Confident95Very high299 Ų29966.9 Ų66.9100%1.12830%0.295SS*.  trans-106.70176.5-66.8-174.8-177.5-178.51.8110.1

Retrieved 334 of 334 residues in 148.4 ms (Link to these results)

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