A0A077ZI79_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M59.9Low92.7Very high203 Ų20357.7 Ų57.7100%130%0.297SS*.  0141.20-66.4175.2-158.500107.7N28M1-N28 HydrophobicContact CB-CB 4.07Å; M1-N28 HydrophobicContact SD-CB 4.24Å
2S85.5Confident93.2Very high88 Ų8854.5 Ų54.562%0.61528%0.279SS*.  trans-88.5132.2173.455.60000109.6I4 K29S2-I4 PolarHBondContact O-N 3.15Å; S2-K29 PolarHBondContact O-N 2.84Å
3S93.3Very high93.5Very high27 Ų2753.1 Ų53.119%0.18928%0.277CS..EExtended strand (participates in β ladder)trans-67.3130172.6-64.20000110N26 V27 N28S3-N26 PolarHBondContact OG-ND2 2.9Å; S3-V27 CarbonylContact C-O 3.56Å; S3-V27 WeakPolarHBondContact CA-O 3.25Å; S3-N28 PolarHBondContact OG-OD1 3.29Å
4I96.6Very high93.7Very high8 Ų855.8 Ų55.84%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-89.1-35.8177.1-175.3164.7000110.8S2 V27 K29 Y63 Q64 E159 V160 T191S2-I4 PolarHBondContact O-N 3.15Å; I4-V27 WeakPolarHBondContact CG2-O 3.26Å; I4-V27 PolarHBondContact N-O 2.81Å; I4-K29 HydrophobicContact CB-CB 4.48Å; I4-Y63 HydrophobicContact CD1-CE2 4.16Å; I4-Y63 HydrophobicContact CG1-CD2 4.2Å; I4-Y63 HydrophobicContact CG1-CE2 3.78Å; I4-Y63 WeakPolarHBondContact O-CA 3.37Å; I4-Y63 WeakPolarHBondContact O-CD2 3.4Å; I4-Q64 HydrophobicContact CG1-CG 4.47Å; I4-Q64 PolarHBondContact O-N 2.86Å; I4-E159 HydrophobicContact CD1-CB 3.76Å; I4-E159 WeakPolarHBondContact CD1-OE2 3.37Å; I4-V160 HydrophobicContact CD1-CG2 3.72Å; I4-V160 HydrophobicContact CG1-CG2 4.13Å; I4-V160 HydrophobicContact CG2-CG2 3.98Å; I4-T191 HydrophobicContact CG2-CG2 3.94Å
5I97.5Very high93.8Very high0 Ų056.7 Ų56.70%032%0.315CS..EExtended strand (participates in β ladder)trans-125.1131.5173.5-65.1174.6000107.6I7 N26 V27 I50 M62 Y63 L82 V160I5-I7 HydrophobicContact CG2-CD1 4.12Å; I5-I7 HydrophobicContact CG2-CG1 3.92Å; I5-N26 CarbonylContact O-C 3.6Å; I5-N26 VanDerWaalsContact O-CA 3.32Å; I5-N26 WeakPolarHBondContact O-CA 3.37Å; I5-V27 HydrophobicContact CB-CB 4.36Å; I5-V27 PolarHBondContact N-O 3.34Å; I5-V27 PolarHBondContact O-N 3.04Å; I5-I50 HydrophobicContact CD1-CG2 3.81Å; I5-I50 HydrophobicContact CG2-CG2 4.5Å; I5-M62 CarbonylContact C-O 3.52Å; I5-M62 VanDerWaalsContact CA-O 3.32Å; I5-M62 WeakPolarHBondContact CA-O 3.35Å; I5-Y63 HydrophobicContact CG1-CD2 4.24Å; I5-L82 HydrophobicContact CD1-CD2 4.15Å; I5-V160 HydrophobicContact CD1-CB 4.21Å; I5-V160 HydrophobicContact CD1-CG1 3.91Å; I5-V160 HydrophobicContact CD1-CG2 3.87Å; I5-V160 HydrophobicContact CG1-CG2 4.36Å
6E98Very high93.8Very high73 Ų7364.2 Ų64.234%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-126.4136.5170.2-54.2170.3-140.700108.6N26 I61 M62E6-N26 HydrophobicContact CG-CB 4.16Å; E6-I61 CarbonylContact O-C 3.54Å; E6-I61 WeakPolarHBondContact O-CA 3.45Å; E6-M62 HydrophobicContact CB-CB 4.01Å; E6-M62 HydrophobicContact CB-CG 4.28Å; E6-M62 PolarHBondContact N-O 2.62Å; E6-M62 PolarHBondContact O-N 3.1Å
7I98.1Very high93.8Very high4 Ų466.6 Ų66.62%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-124.3119.9-175.4-60.1167000105.9I5 L10 S24 M25 F46 I50I5-I7 HydrophobicContact CG2-CD1 4.12Å; I5-I7 HydrophobicContact CG2-CG1 3.92Å; I7-L10 HydrophobicContact CG2-CB 3.52Å; I7-L10 HydrophobicContact CG2-CD1 4.34Å; I7-L10 HydrophobicContact CG2-CD2 3.91Å; I7-L10 HydrophobicContact CG2-CG 4.14Å; I7-S24 CarbonylContact O-C 3.55Å; I7-S24 WeakPolarHBondContact O-CA 3.42Å; I7-M25 WeakPolarHBondContact CA-O 3.45Å; I7-M25 HydrophobicContact CB-CG 4.34Å; I7-M25 WeakPolarHBondContact CB-O 3.46Å; I7-M25 HydrophobicContact CD1-CG 3.99Å; I7-M25 PolarHBondContact N-O 3.49Å; I7-M25 PolarHBondContact O-N 2.97Å; I7-F46 HydrophobicContact CD1-CE1 4.3Å; I7-F46 HydrophobicContact CD1-CE2 3.76Å; I7-F46 HydrophobicContact CD1-CZ 3.35Å; I7-F46 HydrophobicContact CG2-CE2 4.09Å; I7-I50 HydrophobicContact CD1-CD1 3.78Å; I7-I50 HydrophobicContact CD1-CG1 3.75Å
8E97.6Very high93.9Very high64 Ų6466.8 Ų66.830%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-118117.1-175.7-62.8176.5-167.900109.4L10 G59 K60E8-L10 PolarHBondContact O-N 2.93Å; E8-L10 VanDerWaalsContact O-N 3.13Å; E8-G59 CarbonylContact O-C 3.56Å; E8-G59 WeakPolarHBondContact O-CA 3.2Å; E8-K60 HydrophobicContact CB-CB 4.25Å; E8-K60 PolarHBondContact N-O 3.15Å; E8-K60 PolarHBondContact O-N 2.98Å; E8-K60 IonicContact OE2-NZ 2.84Å; E8-K60 PolarHBondContact OE2-NZ 2.77Å
9H97.8Very high94.1Very high106 Ų10664.5 Ų64.549%0.49135%0.354SS..EExtended strand (participates in β ladder)trans51.537171.9-59.2-68.9000115.7K11 D22 I23 S24 G59H9-K11 PolarHBondContact O-N 3.43Å; H9-D22 WeakPolarHBondContact CA-OD1 3.26Å; H9-D22 IonicContact CE1-OD1 3.91Å; H9-D22 IonicContact CG-OD1 3.52Å; H9-D22 IonicContact ND1-OD1 2.81Å; H9-D22 PolarHBondContact ND1-OD1 2.96Å; H9-D22 IonicContact ND1-OD2 3.29Å; H9-D22 PolarHBondContact ND1-OD2 3.49Å; H9-I23 PolarHBondContact N-O 3.13Å; H9-S24 PolarHBondContact N-OG 2.74Å; H9-G59 WeakPolarHBondContact O-CA 3.25Å
10L97.8Very high94.3Very high0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-66.7128-173-162.376.7000111.2I7 E8 L20 D22 I23 F46 C49 P56 I61I7-L10 HydrophobicContact CG2-CB 3.52Å; I7-L10 HydrophobicContact CG2-CD1 4.34Å; I7-L10 HydrophobicContact CG2-CD2 3.91Å; I7-L10 HydrophobicContact CG2-CG 4.14Å; E8-L10 PolarHBondContact O-N 2.93Å; E8-L10 VanDerWaalsContact O-N 3.13Å; L10-L20 HydrophobicContact CD2-CD1 4.28Å; L10-D22 WeakPolarHBondContact O-CA 3.43Å; L10-D22 PolarHBondContact O-N 2.83Å; L10-I23 HydrophobicContact CB-CB 4.42Å; L10-I23 WeakPolarHBondContact CB-O 3.32Å; L10-I23 PolarHBondContact N-O 2.87Å; L10-I23 PolarHBondContact O-N 3.37Å; L10-F46 HydrophobicContact CD2-CD2 3.78Å; L10-F46 HydrophobicContact CD2-CE2 3.81Å; L10-C49 HydrophobicContact CD2-CB 3.91Å; L10-P56 HydrophobicContact CD1-CB 3.58Å; L10-P56 HydrophobicContact CD1-CG 3.56Å; L10-P56 HydrophobicContact CG-CB 4.23Å; L10-P56 HydrophobicContact CG-CG 4.39Å; L10-I61 HydrophobicContact CD1-CD1 3.94Å; L10-I61 HydrophobicContact CD1-CG1 3.69Å
11K98.2Very high94.4Very high62 Ų6262.5 Ų62.527%0.2734%0.339SS..EExtended strand (participates in β ladder)trans-126.9150.7173.2-56172.8-164148.20110.6H9 L18 L20 P56 T57 D58H9-K11 PolarHBondContact O-N 3.43Å; K11-L18 HydrophobicContact CB-CD1 4.44Å; K11-L20 VanDerWaalsContact CA-O 3.28Å; K11-L20 WeakPolarHBondContact CA-O 3.41Å; K11-P56 CarbonylContact O-C 3.49Å; K11-T57 PolarHBondContact O-N 3.46Å; K11-T57 PolarHBondContact O-OG1 3.15Å; K11-D58 HydrophobicContact CB-CB 4Å; K11-D58 HydrophobicContact CD-CB 4.05Å; K11-D58 HydrophobicContact CG-CB 4.3Å; K11-D58 PolarHBondContact N-O 3.43Å; K11-D58 IonicContact NZ-OD2 2.71Å; K11-D58 PolarHBondContact NZ-OD2 3.25Å; K11-D58 PolarHBondContact O-N 3.4Å
12K97.9Very high96.2Very high19 Ų1956.1 Ų56.18%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-145.9121.8175177.261.1173.4-169.50109.9F14 V19 L20 T45 E54 T55 T57K12-F14 HydrophobicContact CD-CE2 4.39Å; K12-F14 HydrophobicContact CD-CZ 4.4Å; K12-F14 VanDerWaalsContact CE-CE1 3.45Å; K12-F14 HydrophobicContact CG-CD2 4.37Å; K12-F14 HydrophobicContact CG-CE2 3.84Å; K12-F14 HydrophobicContact CG-CZ 4.22Å; K12-V19 PolarHBondContact O-N 3.24Å; K12-L20 HydrophobicContact CB-CB 4.03Å; K12-L20 HydrophobicContact CB-CD1 3.75Å; K12-L20 HydrophobicContact CB-CG 3.83Å; K12-L20 PolarHBondContact N-O 3.09Å; K12-L20 VanDerWaalsContact N-O 3.15Å; K12-L20 PolarHBondContact O-N 2.73Å; K12-T45 HydrophobicContact CB-CG2 4.23Å; K12-T45 HydrophobicContact CG-CG2 3.69Å; K12-E54 WeakPolarHBondContact CE-OE2 3.33Å; K12-E54 IonicContact NZ-OE2 3.73Å; K12-E54 PolarHBondContact NZ-OE2 3.32Å; K12-T55 VanDerWaalsContact CD-O 3.29Å; K12-T55 WeakPolarHBondContact CD-O 3.12Å; K12-T55 PolarHBondContact NZ-O 2.92Å; K12-T57 WeakPolarHBondContact CA-OG1 3.28Å; K12-T57 PolarHBondContact N-OG1 2.95Å
13S97.5Very high96.7Very high36 Ų3652 Ų5225%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-112.5147.9170.1-53.10000111.2N17 L18 T57S13-N17 CarbonylContact C-O 3.48Å; S13-N17 VanDerWaalsContact CA-O 3.27Å; S13-N17 WeakPolarHBondContact CA-O 3.47Å; S13-L18 WeakPolarHBondContact OG-CD1 3.37Å; S13-T57 PolarHBondContact N-OG1 2.84Å
14F96.1Very high96.9Very high91 Ų9153.1 Ų53.140%0.39929%0.288SS..EExtended strand (participates in β ladder)trans-117.899.7166.2-66.9-86.7000108.1K12 D16 N17 V19 T45 E54K12-F14 HydrophobicContact CD-CE2 4.39Å; K12-F14 HydrophobicContact CD-CZ 4.4Å; K12-F14 VanDerWaalsContact CE-CE1 3.45Å; K12-F14 HydrophobicContact CG-CD2 4.37Å; K12-F14 HydrophobicContact CG-CE2 3.84Å; K12-F14 HydrophobicContact CG-CZ 4.22Å; F14-D16 PolarHBondContact O-N 3.22Å; F14-N17 PolarHBondContact N-O 3Å; F14-N17 PolarHBondContact O-N 3.28Å; F14-N17 VanDerWaalsContact O-N 3.16Å; F14-V19 HydrophobicContact CD2-CB 4.3Å; F14-V19 HydrophobicContact CD2-CG2 3.67Å; F14-V19 HydrophobicContact CE2-CB 4.42Å; F14-V19 HydrophobicContact CE2-CG2 4.14Å; F14-T45 HydrophobicContact CE2-CG2 3.8Å; F14-T45 HydrophobicContact CZ-CG2 4.15Å; F14-E54 WeakPolarHBondContact CE1-OE2 3.23Å; F14-E54 HydrophobicContact CZ-CG 4.36Å
15G94.8Very high97Very high70 Ų7053.3 Ų53.372%0.72229%0.288SS*.THydrogen-bonded Turntrans59-128.3-163.800000110N17G15-N17 VanDerWaalsContact C-N 3.3Å; G15-N17 PolarHBondContact O-N 2.85Å
16D93.5Very high96.9Very high176 Ų17655.8 Ų55.894%0.94130%0.301SS*.THydrogen-bonded Turntrans-81.7-8.2179.5-55.9-42.9000113.6F14 L18F14-D16 PolarHBondContact O-N 3.22Å; D16-L18 PolarHBondContact O-N 3.03Å
17N95Very high96.9Very high105 Ų10552.3 Ų52.356%0.56129%0.285SS*.EExtended strand (participates in β ladder)trans-85103.3-179-175.324.4000111.1S13 F14 G15 V19S13-N17 CarbonylContact C-O 3.48Å; S13-N17 VanDerWaalsContact CA-O 3.27Å; S13-N17 WeakPolarHBondContact CA-O 3.47Å; F14-N17 PolarHBondContact N-O 3Å; F14-N17 PolarHBondContact O-N 3.28Å; F14-N17 VanDerWaalsContact O-N 3.16Å; G15-N17 VanDerWaalsContact C-N 3.3Å; G15-N17 PolarHBondContact O-N 2.85Å; N17-V19 PolarHBondContact O-N 2.84Å
18L95.4Very high96.9Very high70 Ų7053.4 Ų53.437%0.36629%0.291SS..EExtended strand (participates in β ladder)trans-78.5102.6174.8-176.866000110.7K11 S13 D16 L20 K21K11-L18 HydrophobicContact CB-CD1 4.44Å; S13-L18 WeakPolarHBondContact OG-CD1 3.37Å; D16-L18 PolarHBondContact O-N 3.03Å; L18-L20 VanDerWaalsContact CD1-O 3.25Å; L18-L20 WeakPolarHBondContact CD1-O 3.18Å; L18-K21 HydrophobicContact CD2-CB 4.3Å; L18-K21 HydrophobicContact CD2-CG 3.73Å; L18-K21 HydrophobicContact CG-CG 3.8Å
19V97.5Very high96.9Very high23 Ų2357.1 Ų57.114%0.13931%0.306CS..EExtended strand (participates in β ladder)trans-87.5-41.3-175.6173.90000112.6K12 F14 N17 T45 G215K12-V19 PolarHBondContact O-N 3.24Å; F14-V19 HydrophobicContact CD2-CB 4.3Å; F14-V19 HydrophobicContact CD2-CG2 3.67Å; F14-V19 HydrophobicContact CE2-CB 4.42Å; F14-V19 HydrophobicContact CE2-CG2 4.14Å; N17-V19 PolarHBondContact O-N 2.84Å; V19-T45 HydrophobicContact CG1-CG2 4.07Å; V19-G215 WeakPolarHBondContact O-CA 3.42Å
20L98.1Very high96.8Very high0 Ų053.2 Ų53.20%030%0.295CS..EExtended strand (participates in β ladder)trans-113.4124.3173.3-50.3177.3000108.6L10 K11 K12 L18 I23 G42 T45 F46 M212L10-L20 HydrophobicContact CD2-CD1 4.28Å; K11-L20 VanDerWaalsContact CA-O 3.28Å; K11-L20 WeakPolarHBondContact CA-O 3.41Å; K12-L20 HydrophobicContact CB-CB 4.03Å; K12-L20 HydrophobicContact CB-CD1 3.75Å; K12-L20 HydrophobicContact CB-CG 3.83Å; K12-L20 PolarHBondContact N-O 3.09Å; K12-L20 VanDerWaalsContact N-O 3.15Å; K12-L20 PolarHBondContact O-N 2.73Å; L18-L20 VanDerWaalsContact CD1-O 3.25Å; L18-L20 WeakPolarHBondContact CD1-O 3.18Å; L20-I23 HydrophobicContact CB-CD1 4Å; L20-I23 HydrophobicContact CB-CG1 4.5Å; L20-I23 HydrophobicContact CD1-CD1 4.41Å; L20-I23 HydrophobicContact CD2-CD1 3.65Å; L20-I23 HydrophobicContact CG-CD1 4.21Å; L20-G42 WeakPolarHBondContact CD2-O 3.27Å; L20-T45 HydrophobicContact CD1-CG2 4.09Å; L20-T45 HydrophobicContact CG-CG2 4.19Å; L20-F46 HydrophobicContact CD1-CB 4.08Å; L20-F46 HydrophobicContact CD1-CD2 4.22Å; L20-F46 HydrophobicContact CD2-CB 4.05Å; L20-M212 HydrophobicContact CD2-CE 4.14Å
21K97.1Very high96.8Very high88 Ų8854 Ų5438%0.38330%0.299SS..EExtended strand (participates in β ladder)trans-116.454.7-166.2-59.7-179.8-175.6156.40111.9L18 Q214 G215 V216L18-K21 HydrophobicContact CD2-CB 4.3Å; L18-K21 HydrophobicContact CD2-CG 3.73Å; L18-K21 HydrophobicContact CG-CG 3.8Å; K21-Q214 VanDerWaalsContact CD-O 3.27Å; K21-Q214 WeakPolarHBondContact CD-O 3.46Å; K21-Q214 VanDerWaalsContact CE-O 3.22Å; K21-Q214 WeakPolarHBondContact CE-O 3.27Å; K21-Q214 PolarHBondContact NZ-O 3.03Å; K21-G215 PolarHBondContact N-O 2.96Å; K21-V216 HydrophobicContact CB-CG1 3.83Å
22D96Very high96.8Very high69 Ų6951.2 Ų51.237%0.36929%0.287SS..EExtended strand (participates in β ladder)trans80.478.9-177.9-161.5-24.9000112H9 L10H9-D22 WeakPolarHBondContact CA-OD1 3.26Å; H9-D22 IonicContact CE1-OD1 3.91Å; H9-D22 IonicContact CG-OD1 3.52Å; H9-D22 IonicContact ND1-OD1 2.81Å; H9-D22 PolarHBondContact ND1-OD1 2.96Å; H9-D22 IonicContact ND1-OD2 3.29Å; H9-D22 PolarHBondContact ND1-OD2 3.49Å; L10-D22 WeakPolarHBondContact O-CA 3.43Å; L10-D22 PolarHBondContact O-N 2.83Å
23I97.4Very high96.8Very high1 Ų150.3 Ų50.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-101.6124.7176-60.6178.9000108.9H9 L10 L20 F46 M212 I217H9-I23 PolarHBondContact N-O 3.13Å; L10-I23 HydrophobicContact CB-CB 4.42Å; L10-I23 WeakPolarHBondContact CB-O 3.32Å; L10-I23 PolarHBondContact N-O 2.87Å; L10-I23 PolarHBondContact O-N 3.37Å; L20-I23 HydrophobicContact CB-CD1 4Å; L20-I23 HydrophobicContact CB-CG1 4.5Å; L20-I23 HydrophobicContact CD1-CD1 4.41Å; L20-I23 HydrophobicContact CD2-CD1 3.65Å; L20-I23 HydrophobicContact CG-CD1 4.21Å; I23-F46 HydrophobicContact CB-CD2 4.41Å; I23-F46 HydrophobicContact CB-CE2 4.11Å; I23-F46 HydrophobicContact CD1-CD2 3.84Å; I23-F46 HydrophobicContact CD1-CE2 4.32Å; I23-F46 HydrophobicContact CD1-CG 4.32Å; I23-F46 HydrophobicContact CG2-CD2 4.04Å; I23-F46 HydrophobicContact CG2-CE2 3.43Å; I23-F46 VanDerWaalsContact CG2-CE2 3.43Å; I23-F46 HydrophobicContact CG2-CZ 3.84Å; I23-M212 HydrophobicContact CD1-CE 3.43Å; I23-M212 VanDerWaalsContact CD1-CE 3.43Å; I23-I217 HydrophobicContact CG2-CD1 3.7Å; I23-I217 HydrophobicContact CG2-CG1 3.98Å
24S97.6Very high96.9Very high51 Ų5148.6 Ų48.636%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-125.5126.1171.5-60.60000110.3I7 H9I7-S24 CarbonylContact O-C 3.55Å; I7-S24 WeakPolarHBondContact O-CA 3.42Å; H9-S24 PolarHBondContact N-OG 2.74Å
25M97.2Very high97Very high11 Ų1144.3 Ų44.35%0.05425%0.252CS..EExtended strand (participates in β ladder)trans-161.4163.317462.8167.8-75.500110.2I7 V27 V33 F46 I210 I217I7-M25 WeakPolarHBondContact CA-O 3.45Å; I7-M25 HydrophobicContact CB-CG 4.34Å; I7-M25 WeakPolarHBondContact CB-O 3.46Å; I7-M25 HydrophobicContact CD1-CG 3.99Å; I7-M25 PolarHBondContact N-O 3.49Å; I7-M25 PolarHBondContact O-N 2.97Å; M25-V27 HydrophobicContact CE-CG2 3.5Å; M25-V33 HydrophobicContact CE-CG1 4.05Å; M25-F46 HydrophobicContact CG-CE1 4.48Å; M25-F46 HydrophobicContact CG-CZ 3.79Å; M25-F46 HydrophobicContact SD-CE1 3.51Å; M25-F46 VanDerWaalsContact SD-CE1 3.51Å; M25-F46 HydrophobicContact SD-CZ 3.42Å; M25-F46 WeakPolarHBondContact SD-CZ 3.41Å; M25-I210 HydrophobicContact CB-CD1 4.5Å; M25-I210 HydrophobicContact CE-CD1 3.59Å; M25-I210 HydrophobicContact SD-CD1 3.43Å; M25-I210 WeakPolarHBondContact SD-CD1 3.21Å; M25-I217 HydrophobicContact CB-CD1 4.01Å; M25-I217 HydrophobicContact CG-CD1 4.36Å; M25-I217 HydrophobicContact SD-CD1 4.44Å
26N97Very high97.1Very high52 Ų5241 Ų4128%0.27822%0.217SC..EExtended strand (participates in β ladder)trans-121.2161.6171.663.2-41.8000109.9S3 I5 E6 R208S3-N26 PolarHBondContact OG-ND2 2.9Å; I5-N26 CarbonylContact O-C 3.6Å; I5-N26 VanDerWaalsContact O-CA 3.32Å; I5-N26 WeakPolarHBondContact O-CA 3.37Å; E6-N26 HydrophobicContact CG-CB 4.16Å; N26-R208 PolarHBondContact O-NH2 3.02Å; N26-R208 PolarHBondContact OD1-NH1 3.32Å
27V97.8Very high97.2Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-129.8126.1169.7-174.80000107.2S3 I4 I5 M25 E31 V33 T191 V193S3-V27 CarbonylContact C-O 3.56Å; S3-V27 WeakPolarHBondContact CA-O 3.25Å; I4-V27 WeakPolarHBondContact CG2-O 3.26Å; I4-V27 PolarHBondContact N-O 2.81Å; I5-V27 HydrophobicContact CB-CB 4.36Å; I5-V27 PolarHBondContact N-O 3.34Å; I5-V27 PolarHBondContact O-N 3.04Å; M25-V27 HydrophobicContact CE-CG2 3.5Å; V27-E31 HydrophobicContact CG1-CB 4.39Å; V27-V33 HydrophobicContact CG1-CG2 4.15Å; V27-V33 HydrophobicContact CG2-CG2 4.33Å; V27-T191 HydrophobicContact CG1-CG2 3.53Å; V27-V193 HydrophobicContact CG1-CG2 4.29Å; V27-V193 HydrophobicContact CG2-CG2 3.92Å
28N97.4Very high97.1Very high27 Ų2728.8 Ų28.814%0.14416%0.156CC..EExtended strand (participates in β ladder)trans-85.2151.6177.2-59.7-63.1000111.3M1 S3 G30 E31 T191M1-N28 HydrophobicContact CB-CB 4.07Å; M1-N28 HydrophobicContact SD-CB 4.24Å; S3-N28 PolarHBondContact OG-OD1 3.29Å; N28-G30 PolarHBondContact O-N 2.92Å; N28-E31 HydrophobicContact CB-CB 4.12Å; N28-E31 WeakPolarHBondContact CB-OE2 3.44Å; N28-E31 PolarHBondContact N-OE2 2.92Å; N28-E31 PolarHBondContact ND2-OE2 2.74Å; N28-E31 WeakPolarHBondContact O-CB 3.19Å; N28-E31 PolarHBondContact O-N 2.86Å; N28-T191 WeakPolarHBondContact O-CG2 3.29Å
29K96.7Very high96.9Very high143 Ų14331.2 Ų31.262%0.62218%0.179SC*.THydrogen-bonded Turntrans-59.5126.3175.8-174.8173.7-178.71720110.3S2 I4 E31S2-K29 PolarHBondContact O-N 2.84Å; I4-K29 HydrophobicContact CB-CB 4.48Å; K29-E31 VanDerWaalsContact C-N 3.28Å
30G96.7Very high96.7Very high24 Ų2433.4 Ų33.425%0.24721%0.206CC..THydrogen-bonded Turntrans80.51.7-177.100000115N28 G189 T191N28-G30 PolarHBondContact O-N 2.92Å; G30-G189 WeakPolarHBondContact CA-O 3.41Å; G30-T191 PolarHBondContact N-OG1 3.18Å
31E97.9Very high96.5Very high17 Ų1733.5 Ų33.58%0.07921%0.207CC..  trans-78.2140.9175.9-169.7-176.1169.900111V27 N28 K29 V33 M192 D207 R208V27-E31 HydrophobicContact CG1-CB 4.39Å; N28-E31 HydrophobicContact CB-CB 4.12Å; N28-E31 WeakPolarHBondContact CB-OE2 3.44Å; N28-E31 PolarHBondContact N-OE2 2.92Å; N28-E31 PolarHBondContact ND2-OE2 2.74Å; N28-E31 WeakPolarHBondContact O-CB 3.19Å; N28-E31 PolarHBondContact O-N 2.86Å; K29-E31 VanDerWaalsContact C-N 3.28Å; E31-V33 HydrophobicContact CG-CG2 3.8Å; E31-V33 VanDerWaalsContact OE1-CG2 3.27Å; E31-V33 WeakPolarHBondContact OE1-CG2 3.37Å; E31-M192 PolarHBondContact O-N 3.41Å; E31-D207 WeakPolarHBondContact CA-OD2 3.42Å; E31-D207 HydrophobicContact CG-CB 3.95Å; E31-R208 IonicContact OE1-CZ 3.34Å; E31-R208 VanDerWaalsContact OE1-CZ 3.26Å; E31-R208 IonicContact OE1-NE 2.65Å; E31-R208 PolarHBondContact OE1-NE 3.43Å; E31-R208 IonicContact OE1-NH2 3.26Å; E31-R208 PolarHBondContact OE1-NH2 3.14Å; E31-R208 IonicContact OE2-NH2 2.87Å; E31-R208 PolarHBondContact OE2-NH2 3.33Å
32V98.5Very high96.5Very high3 Ų329.6 Ų29.62%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-103.8105.9169.5-175.50000109.1A186 M192 I194 V205 D207 R208V32-A186 HydrophobicContact CG2-CB 3.8Å; V32-M192 WeakPolarHBondContact CA-O 3.47Å; V32-M192 HydrophobicContact CG1-CB 4.21Å; V32-M192 HydrophobicContact CG2-CB 4.33Å; V32-M192 HydrophobicContact CG2-SD 4.45Å; V32-I194 HydrophobicContact CG1-CD1 3.89Å; V32-V205 WeakPolarHBondContact CB-O 3.34Å; V32-V205 HydrophobicContact CG1-CG2 4.16Å; V32-V205 WeakPolarHBondContact CG1-O 3.32Å; V32-D207 PolarHBondContact N-OD2 3.08Å; V32-D207 PolarHBondContact O-N 3.1Å; V32-R208 PolarHBondContact O-N 3.39Å
33V98.5Very high96.5Very high0 Ų026.6 Ų26.60%018%0.175CC..EExtended strand (participates in β ladder)trans-103.6122.8176.7-177.30000109.8M25 V27 E31 M192 V193 I194 R208 I210M25-V33 HydrophobicContact CE-CG1 4.05Å; V27-V33 HydrophobicContact CG1-CG2 4.15Å; V27-V33 HydrophobicContact CG2-CG2 4.33Å; E31-V33 HydrophobicContact CG-CG2 3.8Å; E31-V33 VanDerWaalsContact OE1-CG2 3.27Å; E31-V33 WeakPolarHBondContact OE1-CG2 3.37Å; V33-M192 PolarHBondContact N-O 2.92Å; V33-V193 CarbonylContact O-C 3.49Å; V33-V193 VanDerWaalsContact O-CA 3.3Å; V33-V193 WeakPolarHBondContact O-CA 3.35Å; V33-I194 PolarHBondContact O-N 3.02Å; V33-R208 WeakPolarHBondContact CA-O 3.18Å; V33-I210 HydrophobicContact CG1-CD1 3.6Å; V33-I210 HydrophobicContact CG1-CG1 3.98Å
34T98.4Very high96.4Very high0 Ų028.3 Ų28.30%019%0.187CC..EExtended strand (participates in β ladder)trans-107.3132.1173.7-63.40000111.5I36 I194 T196 A202 S206 R208 V209 I210T34-I36 HydrophobicContact CG2-CG2 4.04Å; T34-I194 CarbonylContact C-O 3.47Å; T34-I194 VanDerWaalsContact CA-O 3.3Å; T34-I194 WeakPolarHBondContact CA-O 3.21Å; T34-T196 HydrophobicContact CG2-CG2 3.65Å; T34-A202 HydrophobicContact CG2-CB 3.68Å; T34-S206 WeakPolarHBondContact CB-OG 3.43Å; T34-S206 PolarHBondContact OG1-OG 3.3Å; T34-R208 PolarHBondContact N-O 2.8Å; T34-V209 CarbonylContact O-C 3.55Å; T34-V209 WeakPolarHBondContact O-CA 3.4Å; T34-I210 PolarHBondContact O-N 3.4Å
35I98.3Very high96.4Very high0 Ų027.1 Ų27.10%018%0.178CC..EExtended strand (participates in β ladder)trans-107.9115.5178.9-54.3176.3000108.5K43 F46 V193 I194 V195 I210 M212I35-K43 HydrophobicContact CG2-CB 4.17Å; I35-K43 HydrophobicContact CG2-CD 4.14Å; I35-K43 HydrophobicContact CG2-CG 3.97Å; I35-F46 HydrophobicContact CD1-CD1 3.62Å; I35-F46 HydrophobicContact CD1-CE1 3.68Å; I35-V193 HydrophobicContact CD1-CG1 3.77Å; I35-V193 HydrophobicContact CG1-CG1 4.3Å; I35-I194 PolarHBondContact N-O 3.28Å; I35-V195 HydrophobicContact CB-CG2 3.94Å; I35-V195 HydrophobicContact CD1-CG2 4.39Å; I35-V195 HydrophobicContact CG2-CG2 4.36Å; I35-V195 WeakPolarHBondContact O-CA 3.36Å; I35-I210 CarbonylContact C-O 3.58Å; I35-I210 WeakPolarHBondContact CA-O 3.41Å; I35-I210 HydrophobicContact CG1-CB 4.33Å; I35-M212 HydrophobicContact CG2-CB 4.38Å; I35-M212 HydrophobicContact CG2-CG 3.76Å; I35-M212 HydrophobicContact CG2-SD 3.48Å; I35-M212 WeakPolarHBondContact CG2-SD 3.39Å
36I97.2Very high96.4Very high0 Ų026.6 Ų26.60%018%0.175CC..EExtended strand (participates in β ladder)trans-113.9162.617760.8169.4000110.4T34 M199 V209 I210 F211 M212 I226 F227 F238 L239T34-I36 HydrophobicContact CG2-CG2 4.04Å; I36-M199 HydrophobicContact CB-CE 4.19Å; I36-M199 HydrophobicContact CB-SD 4.42Å; I36-M199 HydrophobicContact CD1-SD 4.24Å; I36-M199 HydrophobicContact CG2-CE 3.77Å; I36-M199 HydrophobicContact CG2-SD 3.98Å; I36-V209 HydrophobicContact CD1-CG1 3.76Å; I36-V209 HydrophobicContact CG1-CG1 3.87Å; I36-I210 PolarHBondContact N-O 3.3Å; I36-F211 HydrophobicContact CG1-CB 4.28Å; I36-F211 HydrophobicContact CG1-CD2 4.22Å; I36-F211 WeakPolarHBondContact O-CA 3.48Å; I36-M212 PolarHBondContact O-N 3.09Å; I36-I226 HydrophobicContact CD1-CG2 4.27Å; I36-F227 HydrophobicContact CD1-CE1 4.05Å; I36-F227 HydrophobicContact CD1-CZ 4.16Å; I36-F238 HydrophobicContact CB-CE1 4.3Å; I36-F238 HydrophobicContact CD1-CE1 4.24Å; I36-L239 HydrophobicContact CD1-CD2 4.07Å
37G96Very high96.4Very high0 Ų024.1 Ų24.10%016%0.162CC..  trans152.2171.2175.700000113.7K43 H197 M212G37-K43 PolarHBondContact O-NZ 2.74Å; G37-H197 PolarHBondContact O-CE1 2.94Å; G37-M212 WeakPolarHBondContact CA-O 3.29Å
38A92Very high96.4Very high26 Ų2628.6 Ų28.622%0.21518%0.179CC..  trans-60.9159.2-179.800000112.5S41 K43A38-S41 WeakPolarHBondContact O-CB 3.4Å; A38-S41 PolarHBondContact O-N 3.26Å; A38-S41 PolarHBondContact O-OG 2.78Å; A38-K43 PolarHBondContact O-NZ 2.78Å
39S91.5Very high96.3Very high120 Ų12027.3 Ų27.384%0.83917%0.172SC*.THydrogen-bonded Turntrans-59.8143169.2-173.60000110.1S41S39-S41 VanDerWaalsContact C-N 3.28Å; S39-S41 PolarHBondContact O-N 2.81Å
40G92.4Very high96.3Very high70 Ų7020.5 Ų20.572%0.72214%0.142SC*.THydrogen-bonded Turntrans76.92.4-177.800000115.7G42G40-G42 PolarHBondContact O-N 2.65Å
41S95.1Very high96.2Very high1 Ų120 Ų201%0.00713%0.134CC..SBendtrans-74.4-3.4178.568.20000115.1A38 S39 K43 M212 G215A38-S41 WeakPolarHBondContact O-CB 3.4Å; A38-S41 PolarHBondContact O-N 3.26Å; A38-S41 PolarHBondContact O-OG 2.78Å; S39-S41 VanDerWaalsContact C-N 3.28Å; S39-S41 PolarHBondContact O-N 2.81Å; S41-K43 VanDerWaalsContact OG-CG 3.31Å; S41-K43 WeakPolarHBondContact OG-CG 3.47Å; S41-M212 WeakPolarHBondContact CB-O 3.44Å; S41-M212 PolarHBondContact OG-O 2.92Å; S41-M212 VanDerWaalsContact OG-O 3.09Å; S41-G215 WeakPolarHBondContact O-CA 3.36Å; S41-G215 PolarHBondContact O-N 3.37Å; S41-G215 VanDerWaalsContact O-N 3.09Å
42G96.3Very high96.1Very high6 Ų619.7 Ų19.76%0.06213%0.133CC..SBendtrans97.81.6176.700000115.6L20 G40 S44 T45 F46L20-G42 WeakPolarHBondContact CD2-O 3.27Å; G40-G42 PolarHBondContact O-N 2.65Å; G42-S44 PolarHBondContact O-N 3.24Å; G42-T45 WeakPolarHBondContact O-CB 3.23Å; G42-T45 PolarHBondContact O-N 3Å; G42-F46 WeakPolarHBondContact O-CB 3.5Å; G42-F46 PolarHBondContact O-N 3.35Å
43K97Very high95.9Very high7 Ų723.3 Ų23.33%0.0315%0.152CC..Hα-helixtrans-50.6-55.3-176.7-49.8-174.4-59.3-770114.1I35 G37 A38 S41 T45 F46 L47 V195 M212I35-K43 HydrophobicContact CG2-CB 4.17Å; I35-K43 HydrophobicContact CG2-CD 4.14Å; I35-K43 HydrophobicContact CG2-CG 3.97Å; G37-K43 PolarHBondContact O-NZ 2.74Å; A38-K43 PolarHBondContact O-NZ 2.78Å; S41-K43 VanDerWaalsContact OG-CG 3.31Å; S41-K43 WeakPolarHBondContact OG-CG 3.47Å; K43-T45 PolarHBondContact O-N 3.26Å; K43-F46 WeakPolarHBondContact O-CB 3.34Å; K43-F46 PolarHBondContact O-N 2.84Å; K43-L47 PolarHBondContact O-N 3.11Å; K43-V195 HydrophobicContact CB-CG1 3.74Å; K43-V195 HydrophobicContact CB-CG2 3.88Å; K43-V195 HydrophobicContact CD-CG1 4Å; K43-V195 HydrophobicContact CG-CG1 4.5Å; K43-M212 HydrophobicContact CG-CB 4.18Å; K43-M212 HydrophobicContact CG-SD 4.22Å
44S96.1Very high95.7Very high36 Ų3625.8 Ų25.825%0.25216%0.163SC..Hα-helixtrans-66.2-38.9-179.9-53.70000112.1G42 F46 L47 R48 D164G42-S44 PolarHBondContact O-N 3.24Å; S44-F46 VanDerWaalsContact C-N 3.32Å; S44-F46 PolarHBondContact O-N 3.01Å; S44-L47 PolarHBondContact O-N 3.27Å; S44-R48 WeakPolarHBondContact O-CB 3.42Å; S44-R48 WeakPolarHBondContact O-CD 3.06Å; S44-R48 WeakPolarHBondContact O-CG 3.44Å; S44-R48 PolarHBondContact O-N 2.99Å; S44-D164 WeakPolarHBondContact CB-OD1 3.4Å; S44-D164 WeakPolarHBondContact CB-OD2 3.21Å; S44-D164 PolarHBondContact OG-OD1 2.68Å
45T96.9Very high95.5Very high26 Ų2630.3 Ų30.316%0.1619%0.191CC..Hα-helixtrans-60-44.5174.1-56.70000111K12 F14 V19 L20 G42 K43 R48 C49K12-T45 HydrophobicContact CB-CG2 4.23Å; K12-T45 HydrophobicContact CG-CG2 3.69Å; F14-T45 HydrophobicContact CE2-CG2 3.8Å; F14-T45 HydrophobicContact CZ-CG2 4.15Å; V19-T45 HydrophobicContact CG1-CG2 4.07Å; L20-T45 HydrophobicContact CD1-CG2 4.09Å; L20-T45 HydrophobicContact CG-CG2 4.19Å; G42-T45 WeakPolarHBondContact O-CB 3.23Å; G42-T45 PolarHBondContact O-N 3Å; K43-T45 PolarHBondContact O-N 3.26Å; T45-R48 PolarHBondContact O-N 2.91Å; T45-C49 PolarHBondContact O-N 3.47Å; T45-C49 PolarHBondContact O-SG 2.76Å; T45-C49 VanDerWaalsContact O-SG 3.4Å
46F97.7Very high95.5Very high1 Ų131 Ų310%0.00420%0.195CC..Hα-helixtrans-60.3-49.2177.5177.2-111.7000111.8I7 L10 L20 I23 M25 I35 G42 K43 S44 R48 C49 I50 M212I7-F46 HydrophobicContact CD1-CE1 4.3Å; I7-F46 HydrophobicContact CD1-CE2 3.76Å; I7-F46 HydrophobicContact CD1-CZ 3.35Å; I7-F46 HydrophobicContact CG2-CE2 4.09Å; L10-F46 HydrophobicContact CD2-CD2 3.78Å; L10-F46 HydrophobicContact CD2-CE2 3.81Å; L20-F46 HydrophobicContact CD1-CB 4.08Å; L20-F46 HydrophobicContact CD1-CD2 4.22Å; L20-F46 HydrophobicContact CD2-CB 4.05Å; I23-F46 HydrophobicContact CB-CD2 4.41Å; I23-F46 HydrophobicContact CB-CE2 4.11Å; I23-F46 HydrophobicContact CD1-CD2 3.84Å; I23-F46 HydrophobicContact CD1-CE2 4.32Å; I23-F46 HydrophobicContact CD1-CG 4.32Å; I23-F46 HydrophobicContact CG2-CD2 4.04Å; I23-F46 HydrophobicContact CG2-CE2 3.43Å; I23-F46 VanDerWaalsContact CG2-CE2 3.43Å; I23-F46 HydrophobicContact CG2-CZ 3.84Å; M25-F46 HydrophobicContact CG-CE1 4.48Å; M25-F46 HydrophobicContact CG-CZ 3.79Å; M25-F46 HydrophobicContact SD-CE1 3.51Å; M25-F46 VanDerWaalsContact SD-CE1 3.51Å; M25-F46 HydrophobicContact SD-CZ 3.42Å; M25-F46 WeakPolarHBondContact SD-CZ 3.41Å; I35-F46 HydrophobicContact CD1-CD1 3.62Å; I35-F46 HydrophobicContact CD1-CE1 3.68Å; G42-F46 WeakPolarHBondContact O-CB 3.5Å; G42-F46 PolarHBondContact O-N 3.35Å; K43-F46 WeakPolarHBondContact O-CB 3.34Å; K43-F46 PolarHBondContact O-N 2.84Å; S44-F46 VanDerWaalsContact C-N 3.32Å; S44-F46 PolarHBondContact O-N 3.01Å; F46-R48 VanDerWaalsContact C-N 3.3Å; F46-R48 PolarHBondContact O-N 2.77Å; F46-C49 WeakPolarHBondContact O-CA 3.47Å; F46-C49 WeakPolarHBondContact O-CB 3.23Å; F46-C49 PolarHBondContact O-N 2.99Å; F46-I50 HydrophobicContact CD1-CD1 4.33Å; F46-I50 HydrophobicContact CE1-CD1 3.88Å; F46-I50 HydrophobicContact CZ-CD1 4.14Å; F46-I50 PolarHBondContact O-N 3.49Å; F46-I50 VanDerWaalsContact O-N 3.09Å; F46-M212 HydrophobicContact CB-CE 4.27Å; F46-M212 HydrophobicContact CB-SD 4.45Å; F46-M212 HydrophobicContact CD1-SD 4.36Å
47L96.8Very high95.5Very high0 Ų035.2 Ų35.20%022%0.221CC..Hα-helixtrans-62.8-37.4178.6-146.3123.2000112.2K43 S44 C49 I50 N51 M84 L162 D164 V193 V195K43-L47 PolarHBondContact O-N 3.11Å; S44-L47 PolarHBondContact O-N 3.27Å; L47-C49 VanDerWaalsContact C-N 3.34Å; L47-I50 WeakPolarHBondContact O-CB 3.39Å; L47-I50 PolarHBondContact O-N 2.66Å; L47-N51 PolarHBondContact O-N 3.21Å; L47-M84 HydrophobicContact CD2-CE 3.69Å; L47-M84 HydrophobicContact CD2-SD 4.47Å; L47-L162 HydrophobicContact CD2-CB 3.61Å; L47-L162 HydrophobicContact CD2-CD1 4.49Å; L47-L162 HydrophobicContact CD2-CG 4.48Å; L47-L162 HydrophobicContact CG-CB 4.33Å; L47-D164 HydrophobicContact CD2-CB 4.09Å; L47-V193 HydrophobicContact CD1-CB 4.44Å; L47-V193 HydrophobicContact CD1-CG1 3.9Å; L47-V195 HydrophobicContact CD1-CB 4.39Å; L47-V195 HydrophobicContact CD1-CG2 3.48Å; L47-V195 VanDerWaalsContact CD1-CG2 3.48Å
48R96.3Very high95.5Very high93 Ų9339.1 Ų39.135%0.35124%0.242SC..Hα-helixtrans-67.6-31.4173.4-72.4169.3-175.6-124.41.1112.9S44 T45 F46 L52 L53 E54 M84 D164S44-R48 WeakPolarHBondContact O-CB 3.42Å; S44-R48 WeakPolarHBondContact O-CD 3.06Å; S44-R48 WeakPolarHBondContact O-CG 3.44Å; S44-R48 PolarHBondContact O-N 2.99Å; T45-R48 PolarHBondContact O-N 2.91Å; F46-R48 VanDerWaalsContact C-N 3.3Å; F46-R48 PolarHBondContact O-N 2.77Å; R48-L52 PolarHBondContact O-N 3.02Å; R48-L52 VanDerWaalsContact O-N 3.1Å; R48-L53 HydrophobicContact CB-CB 4.2Å; R48-L53 HydrophobicContact CG-CB 4.45Å; R48-L53 PolarHBondContact O-N 2.86Å; R48-E54 HydrophobicContact CB-CB 4.06Å; R48-E54 HydrophobicContact CB-CG 3.91Å; R48-E54 PolarHBondContact O-N 2.89Å; R48-E54 VanDerWaalsContact O-N 3.16Å; R48-M84 HydrophobicContact CG-CE 4.04Å; R48-D164 IonicContact NE-OD2 3.01Å; R48-D164 IonicContact NH2-OD2 3.99Å
49C97.2Very high95.8Very high0 Ų038.9 Ų38.90%024%0.242CC..Hα-helixtrans-67.2-40.4172-77.10000111.8L10 T45 F46 L47 N51 L52 E54 P56 I61L10-C49 HydrophobicContact CD2-CB 3.91Å; T45-C49 PolarHBondContact O-N 3.47Å; T45-C49 PolarHBondContact O-SG 2.76Å; T45-C49 VanDerWaalsContact O-SG 3.4Å; F46-C49 WeakPolarHBondContact O-CA 3.47Å; F46-C49 WeakPolarHBondContact O-CB 3.23Å; F46-C49 PolarHBondContact O-N 2.99Å; L47-C49 VanDerWaalsContact C-N 3.34Å; C49-N51 VanDerWaalsContact C-N 3.32Å; C49-N51 PolarHBondContact O-N 3.36Å; C49-L52 WeakPolarHBondContact O-CD2 2.77Å; C49-L52 PolarHBondContact O-N 3.43Å; C49-E54 WeakPolarHBondContact CA-O 3.3Å; C49-E54 PolarHBondContact SG-O 3.14Å; C49-P56 HydrophobicContact CB-CG 4.03Å; C49-I61 VanDerWaalsContact O-CD1 3.23Å; C49-I61 WeakPolarHBondContact O-CD1 3.39Å
50I96.5Very high96.1Very high0 Ų037.4 Ų37.40%022%0.221CC..Hα-helixtrans-56.3-48175.6-62174000110.4I5 I7 F46 L47 L52 Y78 L82 L162I5-I50 HydrophobicContact CD1-CG2 3.81Å; I5-I50 HydrophobicContact CG2-CG2 4.5Å; I7-I50 HydrophobicContact CD1-CD1 3.78Å; I7-I50 HydrophobicContact CD1-CG1 3.75Å; F46-I50 HydrophobicContact CD1-CD1 4.33Å; F46-I50 HydrophobicContact CE1-CD1 3.88Å; F46-I50 HydrophobicContact CZ-CD1 4.14Å; F46-I50 PolarHBondContact O-N 3.49Å; F46-I50 VanDerWaalsContact O-N 3.09Å; L47-I50 WeakPolarHBondContact O-CB 3.39Å; L47-I50 PolarHBondContact O-N 2.66Å; I50-L52 PolarHBondContact O-N 2.95Å; I50-Y78 WeakPolarHBondContact O-CE1 3.19Å; I50-Y78 PolarHBondContact O-OH 2.9Å; I50-L82 HydrophobicContact CG2-CD2 4.36Å; I50-L162 HydrophobicContact CB-CD1 4.36Å; I50-L162 HydrophobicContact CG2-CD1 4.11Å; I50-L162 HydrophobicContact CG2-CD2 4.28Å
51N94.3Very high96.3Very high14 Ų1434.1 Ų34.18%0.07519%0.186CC..THydrogen-bonded Turntrans-824.5178.4-158.915.3000114.4L47 C49 L53 M84 L162L47-N51 PolarHBondContact O-N 3.21Å; C49-N51 VanDerWaalsContact C-N 3.32Å; C49-N51 PolarHBondContact O-N 3.36Å; N51-L53 HydrophobicContact CB-CD1 4.47Å; N51-L53 HydrophobicContact CB-CG 4.19Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-L53 VanDerWaalsContact O-N 3.13Å; N51-M84 HydrophobicContact CB-SD 4.22Å; N51-L162 HydrophobicContact CB-CD1 3.75Å
52L94.6Very high96.4Very high10 Ų1035.5 Ų35.55%0.05219%0.193CC..THydrogen-bonded Turntrans48.340-175.1-60.8174.5000113.6R48 C49 I50 I61 V68 L69 L75 Y78 R79R48-L52 PolarHBondContact O-N 3.02Å; R48-L52 VanDerWaalsContact O-N 3.1Å; C49-L52 WeakPolarHBondContact O-CD2 2.77Å; C49-L52 PolarHBondContact O-N 3.43Å; I50-L52 PolarHBondContact O-N 2.95Å; L52-I61 HydrophobicContact CD2-CD1 4.21Å; L52-V68 HydrophobicContact CD1-CB 4.36Å; L52-V68 HydrophobicContact CD1-CG2 3.8Å; L52-V68 HydrophobicContact CG-CG2 4.47Å; L52-L69 HydrophobicContact CD1-CD2 4.4Å; L52-L69 HydrophobicContact CD2-CD2 3.49Å; L52-L69 VanDerWaalsContact CD2-CD2 3.49Å; L52-L75 HydrophobicContact CD1-CD2 3.26Å; L52-Y78 HydrophobicContact CD1-CD1 4.06Å; L52-Y78 HydrophobicContact CD1-CE1 3.87Å; L52-Y78 HydrophobicContact CG-CE1 4.13Å; L52-R79 PolarHBondContact O-NH2 3.44Å
53L94.1Very high96.4Very high79 Ų7935.6 Ų35.641%0.41419%0.191SC..SBendtrans-82-25.2161.8-61.1178.8000110.6R48 N51 M84 F86R48-L53 HydrophobicContact CB-CB 4.2Å; R48-L53 HydrophobicContact CG-CB 4.45Å; R48-L53 PolarHBondContact O-N 2.86Å; N51-L53 HydrophobicContact CB-CD1 4.47Å; N51-L53 HydrophobicContact CB-CG 4.19Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-L53 VanDerWaalsContact O-N 3.13Å; L53-M84 HydrophobicContact CD1-CE 4.31Å; L53-M84 HydrophobicContact CD1-SD 3.46Å; L53-M84 WeakPolarHBondContact CD1-SD 3.05Å; L53-F86 HydrophobicContact CD1-CE1 3.72Å; L53-F86 HydrophobicContact CD1-CZ 3.52Å
54E95.5Very high96.3Very high52 Ų5240.8 Ų40.824%0.24322%0.216CC..SBendtrans-120.1128.6165.5-77.4-63.3159.700108.9K12 F14 R48 C49 P56K12-E54 WeakPolarHBondContact CE-OE2 3.33Å; K12-E54 IonicContact NZ-OE2 3.73Å; K12-E54 PolarHBondContact NZ-OE2 3.32Å; F14-E54 WeakPolarHBondContact CE1-OE2 3.23Å; F14-E54 HydrophobicContact CZ-CG 4.36Å; R48-E54 HydrophobicContact CB-CB 4.06Å; R48-E54 HydrophobicContact CB-CG 3.91Å; R48-E54 PolarHBondContact O-N 2.89Å; R48-E54 VanDerWaalsContact O-N 3.16Å; C49-E54 WeakPolarHBondContact CA-O 3.3Å; C49-E54 PolarHBondContact SG-O 3.14Å; E54-P56 WeakPolarHBondContact O-CD 3.5Å
55T94.8Very high96.2Very high96 Ų9641.5 Ų41.559%0.58923%0.229SC*.  trans-79.2123.2175.6-53.70000109.2K12K12-T55 VanDerWaalsContact CD-O 3.29Å; K12-T55 WeakPolarHBondContact CD-O 3.12Å; K12-T55 PolarHBondContact NZ-O 2.92Å
56P97Very high96.1Very high13 Ų1346 Ų468%0.08425%0.248CC..  trans-58.2150.4171.6-20.732.7000111.5L10 K11 C49 E54 I61 L69L10-P56 HydrophobicContact CD1-CB 3.58Å; L10-P56 HydrophobicContact CD1-CG 3.56Å; L10-P56 HydrophobicContact CG-CB 4.23Å; L10-P56 HydrophobicContact CG-CG 4.39Å; K11-P56 CarbonylContact O-C 3.49Å; C49-P56 HydrophobicContact CB-CG 4.03Å; E54-P56 WeakPolarHBondContact O-CD 3.5Å; P56-I61 HydrophobicContact CG-CD1 3.95Å; P56-L69 HydrophobicContact CB-CD1 4.45Å; P56-L69 HydrophobicContact CG-CD1 4.15Å; P56-L69 HydrophobicContact CG-CD2 4.43Å
57T97Very high96.1Very high89 Ų8947.9 Ų47.955%0.54626%0.258SS..SBendtrans-83.5-27.3172.620.80000112.8K11 K12 S13K11-T57 PolarHBondContact O-N 3.46Å; K11-T57 PolarHBondContact O-OG1 3.15Å; K12-T57 WeakPolarHBondContact CA-OG1 3.28Å; K12-T57 PolarHBondContact N-OG1 2.95Å; S13-T57 PolarHBondContact N-OG1 2.84Å
58D97.2Very high96.1Very high83 Ų8348 Ų4844%0.44426%0.259SS..EExtended strand (participates in β ladder)trans-156.2166.9-178.7-167.214.7000109.9K11K11-D58 HydrophobicContact CB-CB 4Å; K11-D58 HydrophobicContact CD-CB 4.05Å; K11-D58 HydrophobicContact CG-CB 4.3Å; K11-D58 PolarHBondContact N-O 3.43Å; K11-D58 IonicContact NZ-OD2 2.71Å; K11-D58 PolarHBondContact NZ-OD2 3.25Å; K11-D58 PolarHBondContact O-N 3.4Å
59G97.2Very high96Very high20 Ų2046.2 Ų46.221%0.20626%0.256CS..EExtended strand (participates in β ladder)trans89.3-169.3-177.700000113.4E8 H9E8-G59 CarbonylContact O-C 3.56Å; E8-G59 WeakPolarHBondContact O-CA 3.2Å; H9-G59 WeakPolarHBondContact O-CA 3.25Å
60K97.4Very high96Very high90 Ų9048 Ų4839%0.39127%0.271SS..EExtended strand (participates in β ladder)trans-133.9152.1-178.5-52.5-177-152.3135.90111.3E8 M62E8-K60 HydrophobicContact CB-CB 4.25Å; E8-K60 PolarHBondContact N-O 3.15Å; E8-K60 PolarHBondContact O-N 2.98Å; E8-K60 IonicContact OE2-NZ 2.84Å; E8-K60 PolarHBondContact OE2-NZ 2.77Å; K60-M62 HydrophobicContact CB-SD 4.23Å; K60-M62 HydrophobicContact CD-SD 4.35Å
61I97.8Very high95.8Very high0 Ų054.7 Ų54.70%031%0.314CS..EExtended strand (participates in β ladder)trans-125116.1167.9-59.8170.6000105.5E6 L10 C49 L52 P56 N67 V68E6-I61 CarbonylContact O-C 3.54Å; E6-I61 WeakPolarHBondContact O-CA 3.45Å; L10-I61 HydrophobicContact CD1-CD1 3.94Å; L10-I61 HydrophobicContact CD1-CG1 3.69Å; C49-I61 VanDerWaalsContact O-CD1 3.23Å; C49-I61 WeakPolarHBondContact O-CD1 3.39Å; L52-I61 HydrophobicContact CD2-CD1 4.21Å; P56-I61 HydrophobicContact CG-CD1 3.95Å; I61-N67 CarbonylContact O-C 3.59Å; I61-N67 WeakPolarHBondContact O-CA 3.03Å; I61-N67 PolarHBondContact O-OD1 2.93Å; I61-V68 HydrophobicContact CB-CG2 3.7Å; I61-V68 HydrophobicContact CG2-CG2 3.76Å; I61-V68 WeakPolarHBondContact O-CG2 3.21Å; I61-V68 PolarHBondContact O-N 2.86Å
62M97.3Very high95.8Very high30 Ų3058.1 Ų58.115%0.14835%0.353CS..EExtended strand (participates in β ladder)trans-98.9132176.3-46.3-61.4-69.100108.5I5 E6 K60 G65 E66 N67I5-M62 CarbonylContact C-O 3.52Å; I5-M62 VanDerWaalsContact CA-O 3.32Å; I5-M62 WeakPolarHBondContact CA-O 3.35Å; E6-M62 HydrophobicContact CB-CB 4.01Å; E6-M62 HydrophobicContact CB-CG 4.28Å; E6-M62 PolarHBondContact N-O 2.62Å; E6-M62 PolarHBondContact O-N 3.1Å; K60-M62 HydrophobicContact CB-SD 4.23Å; K60-M62 HydrophobicContact CD-SD 4.35Å; M62-G65 VanDerWaalsContact CE-O 3.25Å; M62-G65 WeakPolarHBondContact CE-O 3.43Å; M62-E66 CarbonylContact C-O 3.59Å; M62-E66 VanDerWaalsContact CA-O 3.26Å; M62-E66 WeakPolarHBondContact CA-O 3.32Å; M62-N67 HydrophobicContact CE-CB 4.01Å; M62-N67 VanDerWaalsContact SD-CA 3.57Å; M62-N67 HydrophobicContact SD-CB 3.55Å; M62-N67 VanDerWaalsContact SD-CB 3.55Å
63Y96.9Very high95.9Very high8 Ų860.1 Ų60.13%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-123120.2171.2173.1-107.9000108.4I4 I5 G65 E66 Y78 H81 E159I4-Y63 HydrophobicContact CD1-CE2 4.16Å; I4-Y63 HydrophobicContact CG1-CD2 4.2Å; I4-Y63 HydrophobicContact CG1-CE2 3.78Å; I4-Y63 WeakPolarHBondContact O-CA 3.37Å; I4-Y63 WeakPolarHBondContact O-CD2 3.4Å; I5-Y63 HydrophobicContact CG1-CD2 4.24Å; Y63-G65 PolarHBondContact O-N 2.91Å; Y63-G65 VanDerWaalsContact O-N 3.15Å; Y63-E66 PolarHBondContact N-O 2.89Å; Y63-E66 PolarHBondContact O-N 3.06Å; Y63-Y78 AromaticContact CD1-CD2 3.72Å; Y63-Y78 HydrophobicContact CD1-CD2 3.72Å; Y63-Y78 HydrophobicContact CD1-CE2 4.06Å; Y63-Y78 HydrophobicContact CD2-CD2 4.38Å; Y63-Y78 AromaticContact CD2-CE2 3.95Å; Y63-Y78 HydrophobicContact CD2-CE2 3.95Å; Y63-Y78 HydrophobicContact CE1-CD2 4.29Å; Y63-Y78 AromaticContact CG-CD2 3.75Å; Y63-Y78 HydrophobicContact CG-CD2 3.75Å; Y63-Y78 AromaticContact CG-CE2 3.58Å; Y63-Y78 HydrophobicContact CG-CE2 3.58Å; Y63-H81 HydrophobicContact CE1-CB 4.32Å; Y63-H81 HydrophobicContact CE2-CB 4.48Å; Y63-H81 WeakPolarHBondContact OH-CB 3.42Å; Y63-H81 VanDerWaalsContact OH-CG 3.26Å; Y63-H81 PolarHBondContact OH-ND1 3.17Å; Y63-E159 PolarHBondContact OH-OE1 2.98Å; Y63-E159 VanDerWaalsContact OH-OE1 3.1Å; Y63-E159 PolarHBondContact OH-OE2 3.08Å
64Q93.8Very high96Very high116 Ų11660.8 Ų60.854%0.54236%0.364SS..THydrogen-bonded Turntrans49.238.4-173.6-58.5-174.8-1.800113.3I4 E66 E159I4-Q64 HydrophobicContact CG1-CG 4.47Å; I4-Q64 PolarHBondContact O-N 2.86Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; Q64-E159 PolarHBondContact NE2-OE2 3.16Å
65G93.4Very high95.9Very high51 Ų5161.1 Ų61.153%0.52637%0.368SS..THydrogen-bonded Turntrans83.2-1.7179.600000115.7M62 Y63M62-G65 VanDerWaalsContact CE-O 3.25Å; M62-G65 WeakPolarHBondContact CE-O 3.43Å; Y63-G65 PolarHBondContact O-N 2.91Å; Y63-G65 VanDerWaalsContact O-N 3.15Å
66E95.6Very high95.9Very high120 Ų12060.6 Ų60.656%0.56137%0.366SS*.EExtended strand (participates in β ladder)trans-104.8134.1177.2-60.6-169.3127.500111.6M62 Y63 Q64 V68 Y73M62-E66 CarbonylContact C-O 3.59Å; M62-E66 VanDerWaalsContact CA-O 3.26Å; M62-E66 WeakPolarHBondContact CA-O 3.32Å; Y63-E66 PolarHBondContact N-O 2.89Å; Y63-E66 PolarHBondContact O-N 3.06Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; E66-V68 PolarHBondContact O-N 3.36Å; E66-Y73 HydrophobicContact CB-CE2 3.74Å
67N96.8Very high95.8Very high41 Ų4166 Ų6622%0.21939%0.388CS..EExtended strand (participates in β ladder)trans-74111.4177.4-177.22.5000110.7I61 M62 L69 A70I61-N67 CarbonylContact O-C 3.59Å; I61-N67 WeakPolarHBondContact O-CA 3.03Å; I61-N67 PolarHBondContact O-OD1 2.93Å; M62-N67 HydrophobicContact CE-CB 4.01Å; M62-N67 VanDerWaalsContact SD-CA 3.57Å; M62-N67 HydrophobicContact SD-CB 3.55Å; M62-N67 VanDerWaalsContact SD-CB 3.55Å; N67-L69 PolarHBondContact O-N 3.38Å; N67-L69 WeakPolarHBondContact OD1-CB 3.22Å; N67-L69 PolarHBondContact OD1-N 2.85Å; N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 VanDerWaalsContact O-CB 3.26Å; N67-A70 WeakPolarHBondContact O-CB 3.33Å; N67-A70 PolarHBondContact O-N 2.88Å; N67-A70 VanDerWaalsContact O-N 3.09Å
68V97Very high95.7Very high2 Ų261.9 Ų61.91%0.01236%0.362CS..THydrogen-bonded Turntrans-71.4-14.9-176.7-49.50000113.5L52 I61 E66 Y73 L75 Y78L52-V68 HydrophobicContact CD1-CB 4.36Å; L52-V68 HydrophobicContact CD1-CG2 3.8Å; L52-V68 HydrophobicContact CG-CG2 4.47Å; I61-V68 HydrophobicContact CB-CG2 3.7Å; I61-V68 HydrophobicContact CG2-CG2 3.76Å; I61-V68 WeakPolarHBondContact O-CG2 3.21Å; I61-V68 PolarHBondContact O-N 2.86Å; E66-V68 PolarHBondContact O-N 3.36Å; V68-Y73 VanDerWaalsContact CA-CD1 3.5Å; V68-Y73 HydrophobicContact CB-CD1 3.85Å; V68-Y73 HydrophobicContact CB-CE1 3.55Å; V68-Y73 HydrophobicContact CG1-CD1 4.31Å; V68-Y73 HydrophobicContact CG1-CE1 3.53Å; V68-Y73 WeakPolarHBondContact O-CD1 3.41Å; V68-L75 WeakPolarHBondContact O-CD2 3.27Å; V68-Y78 HydrophobicContact CB-CD1 4.33Å; V68-Y78 HydrophobicContact CB-CE1 4.28Å; V68-Y78 HydrophobicContact CG1-CD1 4.37Å; V68-Y78 HydrophobicContact CG1-CD2 3.86Å; V68-Y78 HydrophobicContact CG1-CE1 4.27Å; V68-Y78 HydrophobicContact CG1-CE2 3.74Å; V68-Y78 HydrophobicContact CG1-CG 4.15Å; V68-Y78 HydrophobicContact CG2-CE1 4.08Å
69L95.7Very high95.7Very high57 Ų5763 Ų6330%0.29836%0.36SS..THydrogen-bonded Turntrans-89.5-4.4175.6-60.1177.3000112.7L52 P56 N67L52-L69 HydrophobicContact CD1-CD2 4.4Å; L52-L69 HydrophobicContact CD2-CD2 3.49Å; L52-L69 VanDerWaalsContact CD2-CD2 3.49Å; P56-L69 HydrophobicContact CB-CD1 4.45Å; P56-L69 HydrophobicContact CG-CD1 4.15Å; P56-L69 HydrophobicContact CG-CD2 4.43Å; N67-L69 PolarHBondContact O-N 3.38Å; N67-L69 WeakPolarHBondContact OD1-CB 3.22Å; N67-L69 PolarHBondContact OD1-N 2.85Å
70A95.6Very high95.6Very high38 Ų3863.1 Ų63.131%0.31436%0.358SS..SBendtrans-65.7143.2-179.500000111.5N67 G72 Y73N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 VanDerWaalsContact O-CB 3.26Å; N67-A70 WeakPolarHBondContact O-CB 3.33Å; N67-A70 PolarHBondContact O-N 2.88Å; N67-A70 VanDerWaalsContact O-N 3.09Å; A70-G72 PolarHBondContact O-N 3.33Å; A70-Y73 VanDerWaalsContact O-CB 3.3Å; A70-Y73 WeakPolarHBondContact O-CB 3.49Å; A70-Y73 PolarHBondContact O-N 3.01Å; A70-Y73 VanDerWaalsContact O-N 3.14Å
71P94.1Very high95.6Very high139 Ų13960.9 Ų60.990%0.90335%0.348SS*.THydrogen-bonded Turntrans-54.2132173.8-25.534.3000111.7Y73P71-Y73 VanDerWaalsContact C-N 3.32Å; P71-Y73 PolarHBondContact O-N 3.15Å
72G94.1Very high95.6Very high87 Ų8761.4 Ų61.490%0.89735%0.351SS*.THydrogen-bonded Turntrans83.2-1.117900000115.4A70A70-G72 PolarHBondContact O-N 3.33Å
73Y95.7Very high95.6Very high51 Ų5160.1 Ų60.120%0.235%0.345CS..  trans-63.3140.4175.6-168.7-97.8000111.8E66 V68 A70 P71 L75 Y78E66-Y73 HydrophobicContact CB-CE2 3.74Å; V68-Y73 VanDerWaalsContact CA-CD1 3.5Å; V68-Y73 HydrophobicContact CB-CD1 3.85Å; V68-Y73 HydrophobicContact CB-CE1 3.55Å; V68-Y73 HydrophobicContact CG1-CD1 4.31Å; V68-Y73 HydrophobicContact CG1-CE1 3.53Å; V68-Y73 WeakPolarHBondContact O-CD1 3.41Å; A70-Y73 VanDerWaalsContact O-CB 3.3Å; A70-Y73 WeakPolarHBondContact O-CB 3.49Å; A70-Y73 PolarHBondContact O-N 3.01Å; A70-Y73 VanDerWaalsContact O-N 3.14Å; P71-Y73 VanDerWaalsContact C-N 3.32Å; P71-Y73 PolarHBondContact O-N 3.15Å; Y73-L75 VanDerWaalsContact C-N 3.31Å; Y73-L75 HydrophobicContact CD1-CD2 4.13Å; Y73-L75 PolarHBondContact O-N 3.37Å; Y73-Y78 HydrophobicContact CE1-CG 4.13Å
74N95.5Very high95.6Very high93 Ų9360.6 Ų60.650%0.49735%0.348SS..  trans-8078.2-176.3-169.5-24000111.3P76 K77 Y78N74-P76 WeakPolarHBondContact OD1-CD 3.27Å; N74-K77 HydrophobicContact CB-CB 4.12Å; N74-K77 PolarHBondContact O-N 2.61Å; N74-K77 VanDerWaalsContact O-N 3.17Å; N74-K77 WeakPolarHBondContact OD1-CB 3.43Å; N74-K77 PolarHBondContact OD1-N 2.8Å; N74-K77 VanDerWaalsContact OD1-N 3.07Å; N74-Y78 PolarHBondContact O-N 3.03Å
75L94.5Very high95.8Very high59 Ų5955.2 Ų55.231%0.30932%0.323SS..Hα-helixtrans-55.5-43.6179.9-67.5179.5000114.2L52 V68 Y73 K77 Y78 R79L52-L75 HydrophobicContact CD1-CD2 3.26Å; V68-L75 WeakPolarHBondContact O-CD2 3.27Å; Y73-L75 VanDerWaalsContact C-N 3.31Å; Y73-L75 HydrophobicContact CD1-CD2 4.13Å; Y73-L75 PolarHBondContact O-N 3.37Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.95Å; L75-Y78 PolarHBondContact O-N 3.12Å; L75-R79 WeakPolarHBondContact O-CG 3.3Å; L75-R79 PolarHBondContact O-N 2.78Å
76P93.7Very high95.9Very high85 Ų8554.8 Ų54.855%0.55231%0.307SS*.Hα-helixtrans-56.9-44.8175.3-27.135.8000112.7N74 R79 T80N74-P76 WeakPolarHBondContact OD1-CD 3.27Å; P76-R79 PolarHBondContact O-N 2.86Å; P76-T80 WeakPolarHBondContact O-CG2 3.19Å; P76-T80 PolarHBondContact O-N 2.66Å
77K94.7Very high95.8Very high127 Ų12753.1 Ų53.155%0.55230%0.299SS*.Hα-helixtrans-62.4-48177.4-174.2-178.5178.1-169.70111.1N74 L75 R79 T80 H81N74-K77 HydrophobicContact CB-CB 4.12Å; N74-K77 PolarHBondContact O-N 2.61Å; N74-K77 VanDerWaalsContact O-N 3.17Å; N74-K77 WeakPolarHBondContact OD1-CB 3.43Å; N74-K77 PolarHBondContact OD1-N 2.8Å; N74-K77 VanDerWaalsContact OD1-N 3.07Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.95Å; K77-R79 VanDerWaalsContact C-N 3.3Å; K77-R79 PolarHBondContact O-N 2.83Å; K77-T80 WeakPolarHBondContact O-CB 3.35Å; K77-T80 PolarHBondContact O-N 3.29Å; K77-T80 PolarHBondContact O-OG1 3.02Å; K77-H81 PolarHBondContact O-CD2 3.07Å
78Y96.4Very high95.5Very high2 Ų254.3 Ų54.31%0.00831%0.311CS..Hα-helixtrans-53-45.8176.5169.6-116.8000113.1I50 L52 Y63 V68 Y73 N74 L75 T80 H81 L82I50-Y78 WeakPolarHBondContact O-CE1 3.19Å; I50-Y78 PolarHBondContact O-OH 2.9Å; L52-Y78 HydrophobicContact CD1-CD1 4.06Å; L52-Y78 HydrophobicContact CD1-CE1 3.87Å; L52-Y78 HydrophobicContact CG-CE1 4.13Å; Y63-Y78 AromaticContact CD1-CD2 3.72Å; Y63-Y78 HydrophobicContact CD1-CD2 3.72Å; Y63-Y78 HydrophobicContact CD1-CE2 4.06Å; Y63-Y78 HydrophobicContact CD2-CD2 4.38Å; Y63-Y78 AromaticContact CD2-CE2 3.95Å; Y63-Y78 HydrophobicContact CD2-CE2 3.95Å; Y63-Y78 HydrophobicContact CE1-CD2 4.29Å; Y63-Y78 AromaticContact CG-CD2 3.75Å; Y63-Y78 HydrophobicContact CG-CD2 3.75Å; Y63-Y78 AromaticContact CG-CE2 3.58Å; Y63-Y78 HydrophobicContact CG-CE2 3.58Å; V68-Y78 HydrophobicContact CB-CD1 4.33Å; V68-Y78 HydrophobicContact CB-CE1 4.28Å; V68-Y78 HydrophobicContact CG1-CD1 4.37Å; V68-Y78 HydrophobicContact CG1-CD2 3.86Å; V68-Y78 HydrophobicContact CG1-CE1 4.27Å; V68-Y78 HydrophobicContact CG1-CE2 3.74Å; V68-Y78 HydrophobicContact CG1-CG 4.15Å; V68-Y78 HydrophobicContact CG2-CE1 4.08Å; Y73-Y78 HydrophobicContact CE1-CG 4.13Å; N74-Y78 PolarHBondContact O-N 3.03Å; L75-Y78 PolarHBondContact O-N 3.12Å; Y78-T80 PolarHBondContact O-N 3.39Å; Y78-T80 VanDerWaalsContact O-N 3.15Å; Y78-H81 PolarHBondContact O-N 2.95Å; Y78-L82 HydrophobicContact CD1-CD1 4.08Å; Y78-L82 HydrophobicContact CD2-CD1 3.93Å; Y78-L82 HydrophobicContact CE1-CD1 3.53Å; Y78-L82 HydrophobicContact CE2-CD1 3.35Å; Y78-L82 HydrophobicContact CE2-CG 4.46Å; Y78-L82 HydrophobicContact CG-CD1 4.27Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.21Å
79R95.9Very high95.2Very high106 Ų10656.5 Ų56.540%0.432%0.32SS..Hα-helixtrans-61.8-22.5177.2-71.2-179.5-179.2126-2.6113.8L52 L75 P76 K77 H81 L82L52-R79 PolarHBondContact O-NH2 3.44Å; L75-R79 WeakPolarHBondContact O-CG 3.3Å; L75-R79 PolarHBondContact O-N 2.78Å; P76-R79 PolarHBondContact O-N 2.86Å; K77-R79 VanDerWaalsContact C-N 3.3Å; K77-R79 PolarHBondContact O-N 2.83Å; R79-H81 VanDerWaalsContact C-N 3.28Å; R79-L82 PolarHBondContact O-N 3.32Å; R79-L82 VanDerWaalsContact O-O 3.12Å
80T96.4Very high95.1Very high24 Ų2457.3 Ų57.315%0.14733%0.325CS..Hα-helixtrans-71.2-24.1174.570.70000113.2P76 K77 Y78 L82 V108 L109P76-T80 WeakPolarHBondContact O-CG2 3.19Å; P76-T80 PolarHBondContact O-N 2.66Å; K77-T80 WeakPolarHBondContact O-CB 3.35Å; K77-T80 PolarHBondContact O-N 3.29Å; K77-T80 PolarHBondContact O-OG1 3.02Å; Y78-T80 PolarHBondContact O-N 3.39Å; Y78-T80 VanDerWaalsContact O-N 3.15Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-V108 HydrophobicContact CG2-CG1 3.63Å; T80-L109 HydrophobicContact CG2-CD2 3.91Å
81H96.7Very high95.2Very high43 Ų4356.4 Ų56.420%0.19932%0.315CS..THydrogen-bonded Turntrans-86.5-3.8179-61-83.1000113.1Y63 K77 Y78 R79 P158 E159 V160Y63-H81 HydrophobicContact CE1-CB 4.32Å; Y63-H81 HydrophobicContact CE2-CB 4.48Å; Y63-H81 WeakPolarHBondContact OH-CB 3.42Å; Y63-H81 VanDerWaalsContact OH-CG 3.26Å; Y63-H81 PolarHBondContact OH-ND1 3.17Å; K77-H81 PolarHBondContact O-CD2 3.07Å; Y78-H81 PolarHBondContact O-N 2.95Å; R79-H81 VanDerWaalsContact C-N 3.28Å; H81-P158 CarbonylContact O-C 3.59Å; H81-E159 IonicContact CE1-OE1 2.74Å; H81-E159 IonicContact CG-OE1 2.91Å; H81-E159 IonicContact ND1-OE1 3.26Å; H81-E159 PolarHBondContact ND1-OE1 3.37Å; H81-E159 PolarHBondContact O-N 2.91Å; H81-V160 PolarHBondContact O-N 3.41Å
82L97.3Very high95.3Very high10 Ų1054.4 Ų54.45%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-118.2122.2-178.7-74.4148.8000110.7I5 I50 Y78 R79 T80 V160 L162I5-L82 HydrophobicContact CD1-CD2 4.15Å; I50-L82 HydrophobicContact CG2-CD2 4.36Å; Y78-L82 HydrophobicContact CD1-CD1 4.08Å; Y78-L82 HydrophobicContact CD2-CD1 3.93Å; Y78-L82 HydrophobicContact CE1-CD1 3.53Å; Y78-L82 HydrophobicContact CE2-CD1 3.35Å; Y78-L82 HydrophobicContact CE2-CG 4.46Å; Y78-L82 HydrophobicContact CG-CD1 4.27Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.21Å; R79-L82 PolarHBondContact O-N 3.32Å; R79-L82 VanDerWaalsContact O-O 3.12Å; T80-L82 VanDerWaalsContact C-N 3.32Å; L82-V160 WeakPolarHBondContact CA-O 3.48Å; L82-V160 HydrophobicContact CD2-CB 3.84Å; L82-V160 HydrophobicContact CD2-CG1 4.13Å; L82-L162 HydrophobicContact CD2-CD1 3.9Å; L82-L162 HydrophobicContact CD2-CG 4.14Å
83G97.3Very high95.5Very high3 Ų356 Ų563%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-96.8138.6168.200000109.4V160 L162G83-V160 PolarHBondContact N-O 3.37Å; G83-L162 WeakPolarHBondContact O-CB 3.43Å; G83-L162 PolarHBondContact O-N 3.39Å
84M97.6Very high95.5Very high19 Ų1959.6 Ų59.69%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-131.3131.2175.6-170.8169.9178.300111.6L47 R48 N51 L53 F86 L162 D164L47-M84 HydrophobicContact CD2-CE 3.69Å; L47-M84 HydrophobicContact CD2-SD 4.47Å; R48-M84 HydrophobicContact CG-CE 4.04Å; N51-M84 HydrophobicContact CB-SD 4.22Å; L53-M84 HydrophobicContact CD1-CE 4.31Å; L53-M84 HydrophobicContact CD1-SD 3.46Å; L53-M84 WeakPolarHBondContact CD1-SD 3.05Å; M84-F86 HydrophobicContact CB-CE2 4.32Å; M84-F86 HydrophobicContact CB-CZ 4.38Å; M84-F86 HydrophobicContact CE-CD1 3.65Å; M84-F86 HydrophobicContact CE-CE1 3.34Å; M84-F86 HydrophobicContact CE-CZ 4.02Å; M84-F86 HydrophobicContact CG-CD1 4.5Å; M84-F86 HydrophobicContact CG-CD2 4.44Å; M84-F86 HydrophobicContact CG-CE1 4.12Å; M84-F86 HydrophobicContact CG-CE2 4.05Å; M84-F86 HydrophobicContact CG-CZ 3.89Å; M84-F86 HydrophobicContact SD-CD1 4.34Å; M84-F86 HydrophobicContact SD-CE1 3.59Å; M84-F86 VanDerWaalsContact SD-CE1 3.59Å; M84-F86 HydrophobicContact SD-CE2 4.38Å; M84-F86 HydrophobicContact SD-CZ 3.61Å; M84-L162 CarbonylContact C-O 3.59Å; M84-L162 VanDerWaalsContact CA-O 3.3Å; M84-L162 WeakPolarHBondContact CA-O 3.3Å; M84-L162 HydrophobicContact CB-CB 4.22Å; M84-L162 HydrophobicContact CG-CB 4.07Å; M84-D164 HydrophobicContact CE-CB 3.92Å
85V97.8Very high95.7Very high2 Ų257.5 Ų57.51%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-115.7123.8174.5-179.80000107.6I150 A153 M161 L162 F163 D164 P166V85-I150 HydrophobicContact CG1-CG1 4.17Å; V85-I150 HydrophobicContact CG2-CG1 4.03Å; V85-A153 HydrophobicContact CG2-CB 4.03Å; V85-M161 HydrophobicContact CG2-CE 3.84Å; V85-L162 PolarHBondContact N-O 3.05Å; V85-F163 HydrophobicContact CB-CD1 3.7Å; V85-F163 HydrophobicContact CB-CE1 4Å; V85-F163 HydrophobicContact CG1-CD1 4.16Å; V85-F163 HydrophobicContact CG1-CE1 4.46Å; V85-F163 HydrophobicContact CG2-CD1 4.08Å; V85-F163 HydrophobicContact CG2-CE1 3.85Å; V85-F163 WeakPolarHBondContact O-CA 2.96Å; V85-D164 PolarHBondContact O-N 3.04Å; V85-P166 HydrophobicContact CG1-CB 4.19Å
86F96.2Very high95.9Very high42 Ų4255.9 Ų55.918%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-100.6166.3-177.3-55.2-97.7000110.5L53 M84 S88 N90 Q146 D164L53-F86 HydrophobicContact CD1-CE1 3.72Å; L53-F86 HydrophobicContact CD1-CZ 3.52Å; M84-F86 HydrophobicContact CB-CE2 4.32Å; M84-F86 HydrophobicContact CB-CZ 4.38Å; M84-F86 HydrophobicContact CE-CD1 3.65Å; M84-F86 HydrophobicContact CE-CE1 3.34Å; M84-F86 HydrophobicContact CE-CZ 4.02Å; M84-F86 HydrophobicContact CG-CD1 4.5Å; M84-F86 HydrophobicContact CG-CD2 4.44Å; M84-F86 HydrophobicContact CG-CE1 4.12Å; M84-F86 HydrophobicContact CG-CE2 4.05Å; M84-F86 HydrophobicContact CG-CZ 3.89Å; M84-F86 HydrophobicContact SD-CD1 4.34Å; M84-F86 HydrophobicContact SD-CE1 3.59Å; M84-F86 VanDerWaalsContact SD-CE1 3.59Å; M84-F86 HydrophobicContact SD-CE2 4.38Å; M84-F86 HydrophobicContact SD-CZ 3.61Å; F86-S88 WeakPolarHBondContact CB-O 3.24Å; F86-S88 PolarHBondContact O-N 3.05Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.37Å; F86-Q146 PolarHBondContact O-NE2 3.33Å; F86-D164 CarbonylContact C-O 3.6Å
87Q93.8Very high96.1Very high85 Ų8551.9 Ų51.940%0.39726%0.256SS..SBendtrans-56.2-39.4166.3-174.2-176.77.500111.7D164 E165 A169Q87-D164 PolarHBondContact N-O 3.32Å; Q87-E165 WeakPolarHBondContact CA-O 3.46Å; Q87-E165 HydrophobicContact CB-CB 4.37Å; Q87-E165 WeakPolarHBondContact CB-O 3.37Å; Q87-A169 HydrophobicContact CG-CB 3.66Å
88S89.9Confident96.3Very high67 Ų6746.6 Ų46.647%0.46923%0.234SC..SBendtrans-85129.7170.763.30000110.9F86 N90F86-S88 WeakPolarHBondContact CB-O 3.24Å; F86-S88 PolarHBondContact O-N 3.05Å; S88-N90 WeakPolarHBondContact CB-OD1 3.34Å; S88-N90 VanDerWaalsContact O-CG 3.24Å; S88-N90 PolarHBondContact O-N 2.62Å; S88-N90 VanDerWaalsContact O-N 3.08Å; S88-N90 PolarHBondContact O-ND2 2.94Å; S88-N90 PolarHBondContact O-OD1 3.15Å; S88-N90 PolarHBondContact OG-ND2 3.3Å; S88-N90 PolarHBondContact OG-OD1 3.33Å
89F90.8Very high96.4Very high47 Ų4751.1 Ų51.121%0.20626%0.255CS..  trans-60.4-28.2-172.8-43-53.1000114L91 G142 K145 Q146 L170F89-L91 HydrophobicContact CB-CG 4.22Å; F89-L91 PolarHBondContact O-N 2.99Å; F89-L91 VanDerWaalsContact O-N 3.1Å; F89-G142 WeakPolarHBondContact CE1-O 3.04Å; F89-K145 HydrophobicContact CB-CB 3.96Å; F89-K145 HydrophobicContact CD1-CB 3.97Å; F89-K145 HydrophobicContact CD2-CB 3.63Å; F89-K145 HydrophobicContact CD2-CD 3.48Å; F89-K145 VanDerWaalsContact CD2-CD 3.48Å; F89-K145 HydrophobicContact CD2-CG 4.18Å; F89-K145 HydrophobicContact CE1-CB 4.43Å; F89-K145 HydrophobicContact CE2-CB 4.1Å; F89-K145 HydrophobicContact CE2-CD 3.71Å; F89-K145 HydrophobicContact CG-CB 3.55Å; F89-K145 HydrophobicContact CG-CD 4.28Å; F89-K145 HydrophobicContact CZ-CB 4.48Å; F89-Q146 HydrophobicContact CD1-CB 3.91Å; F89-Q146 HydrophobicContact CD1-CG 4.48Å; F89-Q146 HydrophobicContact CE1-CB 3.95Å; F89-L170 HydrophobicContact CE1-CD2 3.64Å; F89-L170 HydrophobicContact CZ-CD2 3.75Å
90N92.8Very high96.5Very high75 Ų7546.1 Ų46.140%0.40124%0.236SC..  trans52.233.1176.8-62.3-20.6000114.3F86 S88 R152F86-N90 WeakPolarHBondContact CD2-ND2 3.37Å; S88-N90 WeakPolarHBondContact CB-OD1 3.34Å; S88-N90 VanDerWaalsContact O-CG 3.24Å; S88-N90 PolarHBondContact O-N 2.62Å; S88-N90 VanDerWaalsContact O-N 3.08Å; S88-N90 PolarHBondContact O-ND2 2.94Å; S88-N90 PolarHBondContact O-OD1 3.15Å; S88-N90 PolarHBondContact OG-ND2 3.3Å; S88-N90 PolarHBondContact OG-OD1 3.33Å; N90-R152 VanDerWaalsContact O-CZ 3.26Å; N90-R152 PolarHBondContact O-NH1 3.02Å; N90-R152 PolarHBondContact O-NH2 3.22Å
91L97.3Very high96.7Very high19 Ų1945 Ų4510%0.09923%0.23CC..  trans-79.2144.4176.3-57.7-177.2000111.2F89 N93 P137 K145 V148 A149F89-L91 HydrophobicContact CB-CG 4.22Å; F89-L91 PolarHBondContact O-N 2.99Å; F89-L91 VanDerWaalsContact O-N 3.1Å; L91-N93 PolarHBondContact O-N 3.1Å; L91-P137 HydrophobicContact CB-CB 4.15Å; L91-P137 HydrophobicContact CB-CG 3.82Å; L91-P137 HydrophobicContact CD1-CB 4.21Å; L91-P137 HydrophobicContact CD1-CG 4.22Å; L91-K145 HydrophobicContact CD1-CB 4.04Å; L91-K145 HydrophobicContact CD1-CG 4.2Å; L91-V148 HydrophobicContact CD1-CB 4.13Å; L91-V148 HydrophobicContact CD1-CG1 3.98Å; L91-V148 HydrophobicContact CD2-CG1 3.93Å; L91-A149 HydrophobicContact CD2-CB 4.27Å
92F98Very high96.7Very high96 Ų9643.9 Ų43.942%0.42122%0.224SC..  trans-75111.7175-62.9-66.3000110.1N94 M95 N100F92-N94 PolarHBondContact O-N 2.99Å; F92-M95 HydrophobicContact CB-CB 4.09Å; F92-M95 HydrophobicContact CB-CG 4.05Å; F92-M95 HydrophobicContact CB-SD 3.9Å; F92-M95 HydrophobicContact CD2-SD 3.88Å; F92-M95 HydrophobicContact CG-SD 4.12Å; F92-M95 PolarHBondContact O-N 3.13Å; F92-M95 VanDerWaalsContact O-N 3.13Å; F92-N100 PolarHBondContact N-OD1 3.4Å; F92-N100 PolarHBondContact O-ND2 3.05Å; F92-N100 VanDerWaalsContact O-ND2 3.15Å
93N96.6Very high96.8Very high122 Ų12244.8 Ų44.865%0.65223%0.232SC*.THydrogen-bonded Turntrans-67.9-21.5-176.2-71.2-37.5000114.2L91 M95L91-N93 PolarHBondContact O-N 3.1Å; N93-M95 VanDerWaalsContact C-N 3.3Å
94N97.4Very high96.8Very high125 Ų12545.6 Ų45.667%0.66824%0.24SC*.THydrogen-bonded Turntrans-83.7-3.2175.764.4-36.5000113.4F92F92-N94 PolarHBondContact O-N 2.99Å
95M98.3Very high96.8Very high50 Ų5044.7 Ų44.725%0.24624%0.236CC..SBendtrans-116.7152179.9-67.1-179.5-174.300110.6F92 N93 Q99 N100 P137F92-M95 HydrophobicContact CB-CB 4.09Å; F92-M95 HydrophobicContact CB-CG 4.05Å; F92-M95 HydrophobicContact CB-SD 3.9Å; F92-M95 HydrophobicContact CD2-SD 3.88Å; F92-M95 HydrophobicContact CG-SD 4.12Å; F92-M95 PolarHBondContact O-N 3.13Å; F92-M95 VanDerWaalsContact O-N 3.13Å; N93-M95 VanDerWaalsContact C-N 3.3Å; M95-Q99 HydrophobicContact CB-CB 3.77Å; M95-Q99 HydrophobicContact CG-CB 4.18Å; M95-Q99 HydrophobicContact SD-CB 4.39Å; M95-N100 WeakPolarHBondContact CB-ND2 3.44Å; M95-N100 PolarHBondContact O-ND2 2.91Å; M95-P137 WeakPolarHBondContact O-CD 3.41Å
96N98.6Very high96.9Very high25 Ų2547.4 Ų47.413%0.13425%0.252CS..  trans-77.4177167.170.915.7000111.6L98 Q99 N100 A135N96-L98 PolarHBondContact O-N 2.89Å; N96-L98 PolarHBondContact OD1-N 3.5Å; N96-Q99 PolarHBondContact O-N 3.26Å; N96-Q99 VanDerWaalsContact OD1-CB 3.23Å; N96-Q99 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.37Å; N96-Q99 PolarHBondContact OD1-N 2.82Å; N96-Q99 PolarHBondContact OD1-OE1 3.38Å; N96-N100 PolarHBondContact O-N 3.31Å; N96-N100 PolarHBondContact O-ND2 3.36Å; N96-A135 CarbonylContact C-O 3.51Å; N96-A135 VanDerWaalsContact CA-O 3.27Å; N96-A135 WeakPolarHBondContact CA-O 3.47Å; N96-A135 WeakPolarHBondContact CB-O 3.45Å
97V98.7Very high96.9Very high0 Ų050.4 Ų50.40%027%0.274CS..Hα-helixtrans-58.2-47-179.4166.10000112.1N100 C101 L124 F132 V133 A135 L140 V148V97-N100 WeakPolarHBondContact O-CB 3.41Å; V97-N100 PolarHBondContact O-N 3.09Å; V97-C101 PolarHBondContact O-N 3.47Å; V97-C101 PolarHBondContact O-SG 3.29Å; V97-C101 VanDerWaalsContact O-SG 3.4Å; V97-L124 HydrophobicContact CG1-CD1 3.82Å; V97-L124 HydrophobicContact CG1-CD2 3.37Å; V97-L124 HydrophobicContact CG1-CG 4.26Å; V97-F132 VanDerWaalsContact CB-O 3.29Å; V97-F132 WeakPolarHBondContact CB-O 3.49Å; V97-F132 WeakPolarHBondContact CG2-O 3.47Å; V97-V133 PolarHBondContact N-O 3.46Å; V97-A135 HydrophobicContact CG2-CB 4.45Å; V97-A135 WeakPolarHBondContact CG2-O 3.34Å; V97-A135 PolarHBondContact N-O 2.84Å; V97-L140 HydrophobicContact CG2-CD1 3.7Å; V97-V148 HydrophobicContact CB-CG1 4.47Å; V97-V148 HydrophobicContact CG1-CG1 3.93Å; V97-V148 HydrophobicContact CG1-CG2 3.76Å; V97-V148 HydrophobicContact CG2-CG1 4.32Å; V97-V148 HydrophobicContact CG2-CG2 3.94Å
98L98.7Very high97.1Very high16 Ų1650.5 Ų50.58%0.08428%0.28CS..Hα-helixtrans-62.4-47.3-180177.961.1000111.4N96 N100 C101 M102 K117 A120 L121 L124 V133N96-L98 PolarHBondContact O-N 2.89Å; N96-L98 PolarHBondContact OD1-N 3.5Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 3.49Å; L98-C101 PolarHBondContact O-N 3.31Å; L98-C101 VanDerWaalsContact O-N 3.09Å; L98-M102 HydrophobicContact CD1-CG 4.22Å; L98-M102 HydrophobicContact CD1-SD 3.83Å; L98-M102 HydrophobicContact CD2-SD 4.21Å; L98-M102 HydrophobicContact CG-CG 4.45Å; L98-M102 HydrophobicContact CG-SD 3.66Å; L98-M102 WeakPolarHBondContact O-CG 3.39Å; L98-M102 PolarHBondContact O-N 3.27Å; L98-K117 HydrophobicContact CD1-CG 4.3Å; L98-K117 HydrophobicContact CD2-CD 4.23Å; L98-K117 HydrophobicContact CD2-CG 4.16Å; L98-A120 HydrophobicContact CD1-CB 3.72Å; L98-L121 HydrophobicContact CD1-CD2 4.06Å; L98-L121 HydrophobicContact CD1-CG 4.13Å; L98-L124 HydrophobicContact CD1-CD1 4.34Å; L98-V133 HydrophobicContact CB-CB 4.15Å; L98-V133 WeakPolarHBondContact CB-O 3.4Å; L98-V133 PolarHBondContact N-O 3.16Å
99Q98.7Very high97.4Very high97 Ų9750 Ų5045%0.45327%0.272SS..Hα-helixtrans-60.6-39.7177.4-74.3169.3-2400112M95 N96 C101 M102 S103M95-Q99 HydrophobicContact CB-CB 3.77Å; M95-Q99 HydrophobicContact CG-CB 4.18Å; M95-Q99 HydrophobicContact SD-CB 4.39Å; N96-Q99 PolarHBondContact O-N 3.26Å; N96-Q99 VanDerWaalsContact OD1-CB 3.23Å; N96-Q99 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.37Å; N96-Q99 PolarHBondContact OD1-N 2.82Å; N96-Q99 PolarHBondContact OD1-OE1 3.38Å; Q99-C101 VanDerWaalsContact C-N 3.26Å; Q99-C101 PolarHBondContact O-N 3.33Å; Q99-M102 PolarHBondContact O-N 2.82Å; Q99-S103 WeakPolarHBondContact O-CB 3.4Å; Q99-S103 PolarHBondContact O-N 3.33Å
100N98.7Very high97.7Very high1 Ų150.7 Ų50.71%0.00529%0.293CS..Hα-helixtrans-57.1-41.1174.2-93.7-86.5000111.9F92 M95 N96 V97 L98 R152F92-N100 PolarHBondContact N-OD1 3.4Å; F92-N100 PolarHBondContact O-ND2 3.05Å; F92-N100 VanDerWaalsContact O-ND2 3.15Å; M95-N100 WeakPolarHBondContact CB-ND2 3.44Å; M95-N100 PolarHBondContact O-ND2 2.91Å; N96-N100 PolarHBondContact O-N 3.31Å; N96-N100 PolarHBondContact O-ND2 3.36Å; V97-N100 WeakPolarHBondContact O-CB 3.41Å; V97-N100 PolarHBondContact O-N 3.09Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 3.49Å; N100-R152 WeakPolarHBondContact O-CD 3.24Å; N100-R152 VanDerWaalsContact O-CG 3.29Å; N100-R152 WeakPolarHBondContact O-CG 3.49Å
101C98.6Very high98Very high2 Ų248.9 Ų48.91%0.01428%0.28CS..Hα-helixtrans-78.1-26.1179.6-60.70000113.3V97 L98 Q99 Q105 A120 S155V97-C101 PolarHBondContact O-N 3.47Å; V97-C101 PolarHBondContact O-SG 3.29Å; V97-C101 VanDerWaalsContact O-SG 3.4Å; L98-C101 PolarHBondContact O-N 3.31Å; L98-C101 VanDerWaalsContact O-N 3.09Å; Q99-C101 VanDerWaalsContact C-N 3.26Å; Q99-C101 PolarHBondContact O-N 3.33Å; C101-Q105 PolarHBondContact O-NE2 2.89Å; C101-A120 HydrophobicContact CB-CB 3.66Å; C101-S155 WeakPolarHBondContact O-CB 3.38Å
102M98.7Very high98Very high18 Ų1856.1 Ų56.19%0.08931%0.311CS..Hα-helixtrans-84.1-27.8178.4-69.6173.761.100113.7L98 Q99 G104 Q105 V106 E113 A116 K117 A120L98-M102 HydrophobicContact CD1-CG 4.22Å; L98-M102 HydrophobicContact CD1-SD 3.83Å; L98-M102 HydrophobicContact CD2-SD 4.21Å; L98-M102 HydrophobicContact CG-CG 4.45Å; L98-M102 HydrophobicContact CG-SD 3.66Å; L98-M102 WeakPolarHBondContact O-CG 3.39Å; L98-M102 PolarHBondContact O-N 3.27Å; Q99-M102 PolarHBondContact O-N 2.82Å; M102-G104 PolarHBondContact O-N 3.05Å; M102-Q105 WeakPolarHBondContact O-CB 3.48Å; M102-Q105 PolarHBondContact O-N 2.83Å; M102-V106 PolarHBondContact O-N 2.88Å; M102-E113 HydrophobicContact CE-CB 4.5Å; M102-E113 HydrophobicContact CE-CG 3.44Å; M102-E113 VanDerWaalsContact CE-CG 3.44Å; M102-E113 WeakPolarHBondContact CE-O 3.43Å; M102-A116 HydrophobicContact CB-CB 4.42Å; M102-A116 HydrophobicContact CE-CB 4.28Å; M102-A116 HydrophobicContact CG-CB 4.29Å; M102-K117 HydrophobicContact CE-CB 3.84Å; M102-K117 HydrophobicContact SD-CB 3.79Å; M102-K117 HydrophobicContact SD-CG 4.24Å; M102-A120 HydrophobicContact CG-CB 3.8Å
103S98.2Very high98Very high29 Ų2958.3 Ų58.320%0.20332%0.322CS..Hα-helixtrans-51.8-55.5-169.1-179.90000113.7Q99 Q105 V106 T107Q99-S103 WeakPolarHBondContact O-CB 3.4Å; Q99-S103 PolarHBondContact O-N 3.33Å; S103-Q105 VanDerWaalsContact C-N 3.31Å; S103-Q105 PolarHBondContact O-N 2.77Å; S103-V106 PolarHBondContact O-N 3.38Å; S103-T107 WeakPolarHBondContact O-CB 3.38Å; S103-T107 WeakPolarHBondContact O-CG2 3.29Å; S103-T107 PolarHBondContact O-N 3.02Å; S103-T107 PolarHBondContact O-OG1 3.49Å
104G97.5Very high98.1Very high21 Ų2156.4 Ų56.422%0.21632%0.323CS..Hα-helixtrans-65.6-33.4179.300000113.3M102 V108 L109M102-G104 PolarHBondContact O-N 3.05Å; G104-V108 WeakPolarHBondContact O-CA 3.27Å; G104-V108 VanDerWaalsContact O-CB 3.24Å; G104-V108 WeakPolarHBondContact O-CB 3.46Å; G104-V108 PolarHBondContact O-N 3.17Å; G104-L109 PolarHBondContact O-N 3.39Å
105Q98.4Very high98.2Very high0 Ų055.2 Ų55.20%031%0.314CS..Hα-helixtrans-65.4-44.1179.8-59.8-175.366.800112.3C101 M102 S103 L109 G110 R111 A116 S155 M156C101-Q105 PolarHBondContact O-NE2 2.89Å; M102-Q105 WeakPolarHBondContact O-CB 3.48Å; M102-Q105 PolarHBondContact O-N 2.83Å; S103-Q105 VanDerWaalsContact C-N 3.31Å; S103-Q105 PolarHBondContact O-N 2.77Å; Q105-L109 CarbonylContact O-C 3.56Å; Q105-L109 WeakPolarHBondContact O-CA 3.47Å; Q105-L109 VanDerWaalsContact O-CB 3.29Å; Q105-L109 WeakPolarHBondContact O-CB 3.5Å; Q105-L109 PolarHBondContact O-N 3.09Å; Q105-G110 PolarHBondContact O-N 3.23Å; Q105-R111 PolarHBondContact O-N 2.87Å; Q105-R111 VanDerWaalsContact O-N 3.08Å; Q105-A116 HydrophobicContact CB-CB 3.84Å; Q105-A116 PolarHBondContact NE2-O 3.48Å; Q105-S155 VanDerWaalsContact CG-O 3.28Å; Q105-S155 WeakPolarHBondContact CG-O 3.28Å; Q105-M156 HydrophobicContact CG-SD 4.4Å
106V98.4Very high98.2Very high59 Ų5952.9 Ų52.936%0.35830%0.302SS..Hα-helixtrans-75.6-45.2-179178.10000110.4M102 S103 G110 A116M102-V106 PolarHBondContact O-N 2.88Å; S103-V106 PolarHBondContact O-N 3.38Å; V106-G110 WeakPolarHBondContact O-CA 3.34Å; V106-G110 PolarHBondContact O-N 2.85Å; V106-A116 HydrophobicContact CG2-CB 3.68Å
107T97.6Very high98.2Very high105 Ų10556.5 Ų56.564%0.64432%0.317SS*.Hα-helixtrans-80.2-36-171.657.20000113.9S103S103-T107 WeakPolarHBondContact O-CB 3.38Å; S103-T107 WeakPolarHBondContact O-CG2 3.29Å; S103-T107 PolarHBondContact O-N 3.02Å; S103-T107 PolarHBondContact O-OG1 3.49Å
108V97Very high98.2Very high87 Ų8763.3 Ų63.353%0.52735%0.346SS..THydrogen-bonded Turntrans-103.1-43.7-174.8-174.60000111.5T80 G104 M156T80-V108 HydrophobicContact CG2-CG1 3.63Å; G104-V108 WeakPolarHBondContact O-CA 3.27Å; G104-V108 VanDerWaalsContact O-CB 3.24Å; G104-V108 WeakPolarHBondContact O-CB 3.46Å; G104-V108 PolarHBondContact O-N 3.17Å; V108-M156 HydrophobicContact CB-CE 4.15Å; V108-M156 HydrophobicContact CG1-CE 4.36Å
109L96.9Very high98.2Very high57 Ų5763.8 Ų63.830%0.29835%0.35SS..SBendtrans-86.9-11.3179.5-51.7-179.9000113.2T80 G104 Q105 R111 M156T80-L109 HydrophobicContact CG2-CD2 3.91Å; G104-L109 PolarHBondContact O-N 3.39Å; Q105-L109 CarbonylContact O-C 3.56Å; Q105-L109 WeakPolarHBondContact O-CA 3.47Å; Q105-L109 VanDerWaalsContact O-CB 3.29Å; Q105-L109 WeakPolarHBondContact O-CB 3.5Å; Q105-L109 PolarHBondContact O-N 3.09Å; L109-R111 HydrophobicContact CB-CG 4.2Å; L109-R111 PolarHBondContact O-N 3.04Å; L109-M156 HydrophobicContact CD1-CE 4.05Å; L109-M156 HydrophobicContact CD1-SD 4.29Å; L109-M156 HydrophobicContact CD2-CE 3.91Å; L109-M156 HydrophobicContact CG-CE 3.74Å; L109-M156 HydrophobicContact CG-SD 4.45Å
110G97.1Very high98.2Very high61 Ų6159.2 Ų59.263%0.62933%0.328SS*.  trans66.619.5-178.300000114.1Q105 V106Q105-G110 PolarHBondContact O-N 3.23Å; V106-G110 WeakPolarHBondContact O-CA 3.34Å; V106-G110 PolarHBondContact O-N 2.85Å
111R98Very high98.2Very high36 Ų3662.1 Ų62.114%0.13634%0.344CS..  trans-63.9142.6177.6-71.3-173.7-173.8145.98.3110.3Q105 L109 E115 A116 S155 N157Q105-R111 PolarHBondContact O-N 2.87Å; Q105-R111 VanDerWaalsContact O-N 3.08Å; L109-R111 HydrophobicContact CB-CG 4.2Å; L109-R111 PolarHBondContact O-N 3.04Å; R111-E115 WeakPolarHBondContact CD-OE1 3.5Å; R111-E115 IonicContact NE-OE1 3.92Å; R111-A116 HydrophobicContact CB-CB 4.24Å; R111-S155 PolarHBondContact NH1-O 3.28Å; R111-N157 PolarHBondContact NH2-ND2 2.9Å
112K98.5Very high98.1Very high171 Ų17165.5 Ų65.574%0.74336%0.362SS*.  trans-63146.3170.2-67.6-177.5-178.6177.30109.3A114 E115 A116K112-A114 VanDerWaalsContact C-N 3.26Å; K112-A114 PolarHBondContact O-N 2.73Å; K112-A114 VanDerWaalsContact O-N 3.17Å; K112-E115 WeakPolarHBondContact O-CB 3.3Å; K112-E115 PolarHBondContact O-N 3.09Å; K112-A116 PolarHBondContact O-N 2.99Å
113E98.2Very high98.1Very high143 Ų14365 Ų6567%0.66836%0.36SS*.Hα-helixtrans-54.3-41-176.1-168.6178.8169.300113.1M102 E115 A116 K117M102-E113 HydrophobicContact CE-CB 4.5Å; M102-E113 HydrophobicContact CE-CG 3.44Å; M102-E113 VanDerWaalsContact CE-CG 3.44Å; M102-E113 WeakPolarHBondContact CE-O 3.43Å; E113-E115 PolarHBondContact O-N 3.17Å; E113-A116 PolarHBondContact O-N 2.99Å; E113-K117 VanDerWaalsContact O-CB 3.27Å; E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.34Å
114A98.4Very high98.1Very high81 Ų8163.7 Ų63.767%0.66935%0.35SS*.Hα-helixtrans-62.5-39.5177.400000113.2K112 K118K112-A114 VanDerWaalsContact C-N 3.26Å; K112-A114 PolarHBondContact O-N 2.73Å; K112-A114 VanDerWaalsContact O-N 3.17Å; A114-K118 PolarHBondContact O-N 2.64Å
115E98.5Very high98.1Very high101 Ų10168.9 Ų68.947%0.47237%0.369SS..Hα-helixtrans-70.1-47.4176.3-175.7-166.9158.500110.6R111 K112 E113 K117 K118 V119R111-E115 WeakPolarHBondContact CD-OE1 3.5Å; R111-E115 IonicContact NE-OE1 3.92Å; K112-E115 WeakPolarHBondContact O-CB 3.3Å; K112-E115 PolarHBondContact O-N 3.09Å; E113-E115 PolarHBondContact O-N 3.17Å; E115-K117 VanDerWaalsContact C-N 3.26Å; E115-K117 PolarHBondContact O-N 3.23Å; E115-K118 WeakPolarHBondContact O-CB 3.41Å; E115-K118 PolarHBondContact O-N 2.96Å; E115-K118 VanDerWaalsContact O-N 3.12Å; E115-V119 PolarHBondContact O-N 3.14Å
116A98.7Very high98Very high0 Ų075.2 Ų75.20%040%0.396CS..Hα-helixtrans-59.1-39.8178.500000111.8M102 Q105 V106 R111 K112 E113 A120M102-A116 HydrophobicContact CB-CB 4.42Å; M102-A116 HydrophobicContact CE-CB 4.28Å; M102-A116 HydrophobicContact CG-CB 4.29Å; Q105-A116 HydrophobicContact CB-CB 3.84Å; Q105-A116 PolarHBondContact NE2-O 3.48Å; V106-A116 HydrophobicContact CG2-CB 3.68Å; R111-A116 HydrophobicContact CB-CB 4.24Å; K112-A116 PolarHBondContact O-N 2.99Å; E113-A116 PolarHBondContact O-N 2.99Å; A116-A120 VanDerWaalsContact O-CB 3.23Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 2.71Å
117K98.6Very high97.9Very high102 Ų10272.5 Ų72.544%0.44338%0.38SS..Hα-helixtrans-61.9-46175.1-178.9168.8-179.1174.50111.6L98 M102 E113 E115 A120 L121L98-K117 HydrophobicContact CD1-CG 4.3Å; L98-K117 HydrophobicContact CD2-CD 4.23Å; L98-K117 HydrophobicContact CD2-CG 4.16Å; M102-K117 HydrophobicContact CE-CB 3.84Å; M102-K117 HydrophobicContact SD-CB 3.79Å; M102-K117 HydrophobicContact SD-CG 4.24Å; E113-K117 VanDerWaalsContact O-CB 3.27Å; E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.34Å; E115-K117 VanDerWaalsContact C-N 3.26Å; E115-K117 PolarHBondContact O-N 3.23Å; K117-A120 PolarHBondContact O-N 3.4Å; K117-L121 HydrophobicContact CG-CD1 3.99Å; K117-L121 HydrophobicContact CG-CG 4.41Å; K117-L121 VanDerWaalsContact O-CG 3.28Å; K117-L121 WeakPolarHBondContact O-CG 3.3Å; K117-L121 PolarHBondContact O-N 3.39Å
118K98.5Very high97.9Very high143 Ų14369.1 Ų69.162%0.62237%0.365SS*.Hα-helixtrans-59.2-52.2178-175.7-178.4175.9-176.30111.3A114 E115 A120 L121 D122A114-K118 PolarHBondContact O-N 2.64Å; E115-K118 WeakPolarHBondContact O-CB 3.41Å; E115-K118 PolarHBondContact O-N 2.96Å; E115-K118 VanDerWaalsContact O-N 3.12Å; K118-A120 VanDerWaalsContact C-N 3.3Å; K118-A120 PolarHBondContact O-N 3.04Å; K118-L121 PolarHBondContact O-N 3.04Å; K118-D122 PolarHBondContact O-N 3.44Å
119V98.5Very high97.9Very high26 Ų2665 Ų6516%0.15834%0.34CS..Hα-helixtrans-60.1-41178.8173.90000111.7E115 N123E115-V119 PolarHBondContact O-N 3.14Å; V119-N123 PolarHBondContact O-N 2.92Å; V119-N123 VanDerWaalsContact O-N 3.09Å; V119-N123 PolarHBondContact O-ND2 2.62Å
120A98.6Very high97.9Very high0 Ų066.5 Ų66.50%035%0.349CS..Hα-helixtrans-63.3-43.7177.600000112L98 C101 M102 A116 K117 K118 N123 L124L98-A120 HydrophobicContact CD1-CB 3.72Å; C101-A120 HydrophobicContact CB-CB 3.66Å; M102-A120 HydrophobicContact CG-CB 3.8Å; A116-A120 VanDerWaalsContact O-CB 3.23Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 2.71Å; K117-A120 PolarHBondContact O-N 3.4Å; K118-A120 VanDerWaalsContact C-N 3.3Å; K118-A120 PolarHBondContact O-N 3.04Å; A120-N123 PolarHBondContact O-N 3.32Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 WeakPolarHBondContact O-CG 3.3Å; A120-L124 PolarHBondContact O-N 2.9Å
121L98.6Very high97.9Very high62 Ų6272.8 Ų72.833%0.32535%0.353SS..Hα-helixtrans-63.4-46.9177.7-71.1171.8000111.6L98 K117 K118 N123 L124 E125 V133L98-L121 HydrophobicContact CD1-CD2 4.06Å; L98-L121 HydrophobicContact CD1-CG 4.13Å; K117-L121 HydrophobicContact CG-CD1 3.99Å; K117-L121 HydrophobicContact CG-CG 4.41Å; K117-L121 VanDerWaalsContact O-CG 3.28Å; K117-L121 WeakPolarHBondContact O-CG 3.3Å; K117-L121 PolarHBondContact O-N 3.39Å; K118-L121 PolarHBondContact O-N 3.04Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.48Å; L121-L124 PolarHBondContact O-N 3.11Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L121-E125 PolarHBondContact O-N 3.22Å; L121-V133 HydrophobicContact CD2-CG1 3.47Å; L121-V133 VanDerWaalsContact CD2-CG1 3.47Å
122D98.1Very high97.9Very high74 Ų7473.1 Ų73.140%0.39636%0.356SS..Hα-helixtrans-58.1-40.7178-65.8-5.5000111.2K118 K126K118-D122 PolarHBondContact O-N 3.44Å; D122-K126 WeakPolarHBondContact O-CG 3.34Å; D122-K126 PolarHBondContact O-N 3.42Å
123N98.1Very high97.9Very high8 Ų866.1 Ų66.14%0.04333%0.328CS..Hα-helixtrans-76.4-31.8178.2-72.9-34000113.4V119 A120 L121 K126 V127 A151 S155V119-N123 PolarHBondContact O-N 2.92Å; V119-N123 VanDerWaalsContact O-N 3.09Å; V119-N123 PolarHBondContact O-ND2 2.62Å; A120-N123 PolarHBondContact O-N 3.32Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.48Å; N123-K126 PolarHBondContact O-N 3.23Å; N123-K126 PolarHBondContact OD1-NZ 3.18Å; N123-K126 VanDerWaalsContact OD1-NZ 3.1Å; N123-V127 PolarHBondContact O-N 2.65Å; N123-A151 HydrophobicContact CB-CB 4.32Å; N123-S155 VanDerWaalsContact ND2-CA 3.33Å; N123-S155 WeakPolarHBondContact ND2-CA 3.48Å; N123-S155 PolarHBondContact ND2-N 3.06Å; N123-S155 PolarHBondContact ND2-OG 3.4Å
124L98.6Very high97.9Very high0 Ų065.1 Ų65.10%033%0.327CS..Hα-helixtrans-66.6-38.7173.1-76.5168000111.4V97 L98 A120 L121 V127 G128 M129 V133 V148 A151V97-L124 HydrophobicContact CG1-CD1 3.82Å; V97-L124 HydrophobicContact CG1-CD2 3.37Å; V97-L124 HydrophobicContact CG1-CG 4.26Å; L98-L124 HydrophobicContact CD1-CD1 4.34Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 WeakPolarHBondContact O-CG 3.3Å; A120-L124 PolarHBondContact O-N 2.9Å; L121-L124 PolarHBondContact O-N 3.11Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L124-V127 CarbonylContact O-C 2.98Å; L124-V127 VanDerWaalsContact O-CG2 3.26Å; L124-V127 WeakPolarHBondContact O-CG2 3.31Å; L124-V127 PolarHBondContact O-N 2.91Å; L124-G128 PolarHBondContact O-N 2.84Å; L124-G128 VanDerWaalsContact O-N 3.14Å; L124-M129 HydrophobicContact CD2-CB 3.81Å; L124-M129 PolarHBondContact O-N 3.25Å; L124-V133 HydrophobicContact CD1-CG1 3.89Å; L124-V148 HydrophobicContact CD2-CG2 4.41Å; L124-A151 HydrophobicContact CD2-CB 3.92Å; L124-A151 HydrophobicContact CG-CB 4.34Å
125E97.6Very high97.9Very high130 Ų13062 Ų6261%0.60730%0.301SS*.Hα-helixtrans-62.5-46.3173.9-174.4179.2-172.500111.6L121 V127 G128 D130L121-E125 PolarHBondContact O-N 3.22Å; E125-V127 PolarHBondContact O-N 3.29Å; E125-V127 VanDerWaalsContact O-N 3.11Å; E125-G128 PolarHBondContact O-N 3.36Å; E125-D130 HydrophobicContact CB-CB 4.33Å
126K95.8Very high97.9Very high133 Ų13362.7 Ų62.758%0.57830%0.303SS*.Hα-helixtrans-55.2-32.1176.9-72.8171.8-165166.60113.5D122 N123D122-K126 WeakPolarHBondContact O-CG 3.34Å; D122-K126 PolarHBondContact O-N 3.42Å; N123-K126 PolarHBondContact O-N 3.23Å; N123-K126 PolarHBondContact OD1-NZ 3.18Å; N123-K126 VanDerWaalsContact OD1-NZ 3.1Å
127V96.9Very high97.9Very high3 Ų362.8 Ų62.82%0.01830%0.303CS..THydrogen-bonded Turntrans-97.66.2178.1-54.30000113.3N123 L124 E125 M129 R147 I150 A151 I181N123-V127 PolarHBondContact O-N 2.65Å; L124-V127 CarbonylContact O-C 2.98Å; L124-V127 VanDerWaalsContact O-CG2 3.26Å; L124-V127 WeakPolarHBondContact O-CG2 3.31Å; L124-V127 PolarHBondContact O-N 2.91Å; E125-V127 PolarHBondContact O-N 3.29Å; E125-V127 VanDerWaalsContact O-N 3.11Å; V127-M129 HydrophobicContact CG2-CB 3.93Å; V127-M129 HydrophobicContact CG2-CG 3.79Å; V127-R147 HydrophobicContact CB-CB 4.21Å; V127-R147 HydrophobicContact CG2-CB 4.3Å; V127-R147 WeakPolarHBondContact O-CD 3.29Å; V127-I150 HydrophobicContact CG1-CG2 4.15Å; V127-A151 HydrophobicContact CG1-CB 4.21Å; V127-A151 HydrophobicContact CG2-CB 3.72Å; V127-I181 HydrophobicContact CB-CD1 3.98Å; V127-I181 HydrophobicContact CB-CG2 4.48Å; V127-I181 HydrophobicContact CG1-CG2 3.89Å; V127-I181 WeakPolarHBondContact O-CD1 3.47Å
128G96.8Very high97.8Very high33 Ų3362.1 Ų62.134%0.3432%0.317SS..THydrogen-bonded Turntrans68.835.3178.600000114.6L124 E125L124-G128 PolarHBondContact O-N 2.84Å; L124-G128 VanDerWaalsContact O-N 3.14Å; E125-G128 PolarHBondContact O-N 3.36Å
129M97.9Very high97.8Very high0 Ų061.8 Ų61.80%032%0.318CS..  trans-120.911.8-177.8-65-58.1-63.800113.9L124 V127 R131 F132 L140 Q144 R147 V148L124-M129 HydrophobicContact CD2-CB 3.81Å; L124-M129 PolarHBondContact O-N 3.25Å; V127-M129 HydrophobicContact CG2-CB 3.93Å; V127-M129 HydrophobicContact CG2-CG 3.79Å; M129-R131 VanDerWaalsContact C-N 3.33Å; M129-R131 PolarHBondContact O-N 2.95Å; M129-F132 HydrophobicContact CE-CB 3.74Å; M129-F132 HydrophobicContact CE-CD2 3.38Å; M129-F132 HydrophobicContact CE-CE2 4.11Å; M129-F132 HydrophobicContact CE-CG 3.73Å; M129-F132 PolarHBondContact O-N 3.36Å; M129-F132 HydrophobicContact SD-CD2 3.77Å; M129-F132 HydrophobicContact SD-CE2 4.18Å; M129-L140 HydrophobicContact CE-CD1 4.27Å; M129-L140 HydrophobicContact CE-CD2 4.01Å; M129-Q144 HydrophobicContact CE-CB 3.73Å; M129-Q144 HydrophobicContact CE-CG 4.04Å; M129-Q144 HydrophobicContact SD-CB 4.1Å; M129-Q144 HydrophobicContact SD-CG 4.01Å; M129-R147 HydrophobicContact CG-CB 3.88Å; M129-R147 HydrophobicContact SD-CB 4.37Å; M129-V148 HydrophobicContact CB-CG2 4.27Å; M129-V148 HydrophobicContact CE-CG2 3.67Å; M129-V148 HydrophobicContact CG-CG2 3.99Å
130D96.5Very high97.7Very high89 Ų8961 Ų6148%0.47631%0.313SS..G310 helixtrans-54.8-41.7177.361.2-53.8000113.2E125 F132 V133E125-D130 HydrophobicContact CB-CB 4.33Å; D130-F132 PolarHBondContact O-N 3.33Å; D130-V133 WeakPolarHBondContact O-CG1 3.44Å
131R97.3Very high97.5Very high193 Ų19362.9 Ų62.973%0.72833%0.325SS*.G310 helixtrans-72.2-8.417869-177.9176.5-178.9-3.4114.9M129M129-R131 VanDerWaalsContact C-N 3.33Å; M129-R131 PolarHBondContact O-N 2.95Å
132F98.1Very high97.4Very high43 Ų4360.7 Ų60.719%0.18932%0.318CS..G310 helixtrans-109.112.6-175.4-63.6-74.4000113.2V97 M129 D130 D134 A135 L140V97-F132 VanDerWaalsContact CB-O 3.29Å; V97-F132 WeakPolarHBondContact CB-O 3.49Å; V97-F132 WeakPolarHBondContact CG2-O 3.47Å; M129-F132 HydrophobicContact CE-CB 3.74Å; M129-F132 HydrophobicContact CE-CD2 3.38Å; M129-F132 HydrophobicContact CE-CE2 4.11Å; M129-F132 HydrophobicContact CE-CG 3.73Å; M129-F132 PolarHBondContact O-N 3.36Å; M129-F132 HydrophobicContact SD-CD2 3.77Å; M129-F132 HydrophobicContact SD-CE2 4.18Å; D130-F132 PolarHBondContact O-N 3.33Å; F132-D134 PolarHBondContact O-N 2.86Å; F132-A135 HydrophobicContact CB-CB 4.15Å; F132-A135 HydrophobicContact CD1-CB 4.38Å; F132-A135 VanDerWaalsContact O-CB 3.28Å; F132-A135 WeakPolarHBondContact O-CB 3.2Å; F132-A135 PolarHBondContact O-N 2.9Å; F132-L140 HydrophobicContact CB-CD2 4.3Å; F132-L140 HydrophobicContact CD1-CD2 4.02Å; F132-L140 HydrophobicContact CG-CD2 4.22Å
133V98.2Very high97.3Very high25 Ų2557.2 Ų57.215%0.15230%0.3CS..THydrogen-bonded Turntrans-50.3-37-175.5-73.50000114V97 L98 L121 L124 D130V97-V133 PolarHBondContact N-O 3.46Å; L98-V133 HydrophobicContact CB-CB 4.15Å; L98-V133 WeakPolarHBondContact CB-O 3.4Å; L98-V133 PolarHBondContact N-O 3.16Å; L121-V133 HydrophobicContact CD2-CG1 3.47Å; L121-V133 VanDerWaalsContact CD2-CG1 3.47Å; L124-V133 HydrophobicContact CD1-CG1 3.89Å; D130-V133 WeakPolarHBondContact O-CG1 3.44Å
134D98.3Very high97.2Very high121 Ų12158.4 Ų58.465%0.64731%0.305SS*.THydrogen-bonded Turntrans-94.4-7.3-179.3-63.8-48000114F132F132-D134 PolarHBondContact O-N 2.86Å
135A98.5Very high97.1Very high16 Ų1660.8 Ų60.813%0.13232%0.315CS..  trans-67.2144.9178.500000110.8N96 V97 F132 L140N96-A135 CarbonylContact C-O 3.51Å; N96-A135 VanDerWaalsContact CA-O 3.27Å; N96-A135 WeakPolarHBondContact CA-O 3.47Å; N96-A135 WeakPolarHBondContact CB-O 3.45Å; V97-A135 HydrophobicContact CG2-CB 4.45Å; V97-A135 WeakPolarHBondContact CG2-O 3.34Å; V97-A135 PolarHBondContact N-O 2.84Å; F132-A135 HydrophobicContact CB-CB 4.15Å; F132-A135 HydrophobicContact CD1-CB 4.38Å; F132-A135 VanDerWaalsContact O-CB 3.28Å; F132-A135 WeakPolarHBondContact O-CB 3.2Å; F132-A135 PolarHBondContact O-N 2.9Å; A135-L140 HydrophobicContact CB-CD2 4.03Å
136K98.3Very high97.2Very high115 Ų11554.6 Ų54.650%0.529%0.286SS..  trans-85.9152.5168.6-66.9-170.1177.2-176.30110.3A138 Q139K136-A138 PolarHBondContact O-N 3.16Å; K136-Q139 WeakPolarHBondContact O-CB 3.4Å; K136-Q139 PolarHBondContact O-N 3.36Å
137P97.8Very high97.2Very high2 Ų250 Ų501%0.01327%0.265CS..G310 helixtrans-50.7-36.3177.7-30.635.8000114.1L91 M95 Q139 L140 K145L91-P137 HydrophobicContact CB-CB 4.15Å; L91-P137 HydrophobicContact CB-CG 3.82Å; L91-P137 HydrophobicContact CD1-CB 4.21Å; L91-P137 HydrophobicContact CD1-CG 4.22Å; M95-P137 WeakPolarHBondContact O-CD 3.41Å; P137-Q139 PolarHBondContact O-N 2.9Å; P137-Q139 VanDerWaalsContact O-N 3.13Å; P137-L140 PolarHBondContact O-N 3.4Å; P137-L140 VanDerWaalsContact O-N 3.11Å; P137-K145 WeakPolarHBondContact O-CE 3.43Å
138A97.1Very high97.3Very high89 Ų8949.9 Ų49.974%0.73627%0.265SS*.G310 helixtrans-60.8-20.9178.200000114.4K136K136-A138 PolarHBondContact O-N 3.16Å
139Q97.6Very high97.4Very high135 Ų13548.5 Ų48.563%0.63125%0.25SC*.G310 helixtrans-91.3-0.1-179.6-58.6172.4-77.100113K136 P137K136-Q139 WeakPolarHBondContact O-CB 3.4Å; K136-Q139 PolarHBondContact O-N 3.36Å; P137-Q139 PolarHBondContact O-N 2.9Å; P137-Q139 VanDerWaalsContact O-N 3.13Å
140L97Very high97.4Very high10 Ų1048.5 Ų48.55%0.05225%0.25CC..SBendtrans-106.5145.2-173.6-58.5-178.2000112.1V97 M129 F132 A135 P137 Q144 K145 V148V97-L140 HydrophobicContact CG2-CD1 3.7Å; M129-L140 HydrophobicContact CE-CD1 4.27Å; M129-L140 HydrophobicContact CE-CD2 4.01Å; F132-L140 HydrophobicContact CB-CD2 4.3Å; F132-L140 HydrophobicContact CD1-CD2 4.02Å; F132-L140 HydrophobicContact CG-CD2 4.22Å; A135-L140 HydrophobicContact CB-CD2 4.03Å; P137-L140 PolarHBondContact O-N 3.4Å; P137-L140 VanDerWaalsContact O-N 3.11Å; L140-Q144 HydrophobicContact CB-CB 3.95Å; L140-Q144 HydrophobicContact CD2-CB 4.36Å; L140-K145 HydrophobicContact CB-CG 3.71Å; L140-K145 HydrophobicContact CD1-CG 4.34Å; L140-K145 WeakPolarHBondContact O-CE 3.36Å; L140-K145 PolarHBondContact O-NZ 2.89Å; L140-V148 HydrophobicContact CD1-CG2 4.08Å
141S95.3Very high97.5Very high39 Ų3944.2 Ų44.227%0.27323%0.227SC..  trans-66.9165.5167.779.10000111.8G143 Q144 K145S141-G143 PolarHBondContact O-N 2.93Å; S141-Q144 PolarHBondContact O-N 3.17Å; S141-Q144 WeakPolarHBondContact OG-CG 3.41Å; S141-Q144 PolarHBondContact OG-N 2.93Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.48Å
142G95.1Very high97.5Very high17 Ų1737.4 Ų37.418%0.17520%0.201CC..Hα-helixtrans-55.7-50.117700000112.5F89 Q144 K145 Q146F89-G142 WeakPolarHBondContact CE1-O 3.04Å; G142-Q144 VanDerWaalsContact C-N 3.33Å; G142-Q144 PolarHBondContact O-N 2.93Å; G142-K145 WeakPolarHBondContact O-CB 3.11Å; G142-K145 PolarHBondContact O-N 3.39Å; G142-Q146 PolarHBondContact O-N 3.28Å
143G95.9Very high97.5Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-61.9-37.8177.300000113S141 Q146 R147 M174S141-G143 PolarHBondContact O-N 2.93Å; G143-Q146 PolarHBondContact O-N 3.44Å; G143-R147 VanDerWaalsContact O-CG 3.27Å; G143-R147 WeakPolarHBondContact O-CG 3.4Å; G143-R147 PolarHBondContact O-N 3.43Å; G143-R147 PolarHBondContact O-NE 2.84Å; G143-M174 PolarHBondContact N-SD 3.26Å
144Q96.9Very high97.5Very high33 Ų3335.3 Ų35.315%0.15419%0.193CC..Hα-helixtrans-65.5-44.1174.1-74.5171.1-15.200112.2M129 L140 S141 G142 Q146 R147 V148M129-Q144 HydrophobicContact CE-CB 3.73Å; M129-Q144 HydrophobicContact CE-CG 4.04Å; M129-Q144 HydrophobicContact SD-CB 4.1Å; M129-Q144 HydrophobicContact SD-CG 4.01Å; L140-Q144 HydrophobicContact CB-CB 3.95Å; L140-Q144 HydrophobicContact CD2-CB 4.36Å; S141-Q144 PolarHBondContact O-N 3.17Å; S141-Q144 WeakPolarHBondContact OG-CG 3.41Å; S141-Q144 PolarHBondContact OG-N 2.93Å; G142-Q144 VanDerWaalsContact C-N 3.33Å; G142-Q144 PolarHBondContact O-N 2.93Å; Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 3.29Å; Q144-R147 PolarHBondContact O-N 2.92Å; Q144-V148 WeakPolarHBondContact O-CG2 3.39Å; Q144-V148 PolarHBondContact O-N 3.1Å
145K97.4Very high97.5Very high50 Ų5029.6 Ų29.622%0.21716%0.162CC..Hα-helixtrans-58.7-41.3175.3-70.9170.2178.6156.70111.1F89 L91 P137 L140 S141 G142 V148 A149F89-K145 HydrophobicContact CB-CB 3.96Å; F89-K145 HydrophobicContact CD1-CB 3.97Å; F89-K145 HydrophobicContact CD2-CB 3.63Å; F89-K145 HydrophobicContact CD2-CD 3.48Å; F89-K145 VanDerWaalsContact CD2-CD 3.48Å; F89-K145 HydrophobicContact CD2-CG 4.18Å; F89-K145 HydrophobicContact CE1-CB 4.43Å; F89-K145 HydrophobicContact CE2-CB 4.1Å; F89-K145 HydrophobicContact CE2-CD 3.71Å; F89-K145 HydrophobicContact CG-CB 3.55Å; F89-K145 HydrophobicContact CG-CD 4.28Å; F89-K145 HydrophobicContact CZ-CB 4.48Å; L91-K145 HydrophobicContact CD1-CB 4.04Å; L91-K145 HydrophobicContact CD1-CG 4.2Å; P137-K145 WeakPolarHBondContact O-CE 3.43Å; L140-K145 HydrophobicContact CB-CG 3.71Å; L140-K145 HydrophobicContact CD1-CG 4.34Å; L140-K145 WeakPolarHBondContact O-CE 3.36Å; L140-K145 PolarHBondContact O-NZ 2.89Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.48Å; G142-K145 WeakPolarHBondContact O-CB 3.11Å; G142-K145 PolarHBondContact O-N 3.39Å; K145-V148 PolarHBondContact O-N 2.92Å; K145-A149 PolarHBondContact O-N 2.9Å
146Q97.7Very high97.4Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-69.4-39.1-179.5-165.765-33.800112.6F86 F89 G142 G143 Q144 V148 A149 I150 P166 L170 V178F86-Q146 PolarHBondContact O-NE2 3.33Å; F89-Q146 HydrophobicContact CD1-CB 3.91Å; F89-Q146 HydrophobicContact CD1-CG 4.48Å; F89-Q146 HydrophobicContact CE1-CB 3.95Å; G142-Q146 PolarHBondContact O-N 3.28Å; G143-Q146 PolarHBondContact O-N 3.44Å; Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 3.29Å; Q146-V148 VanDerWaalsContact C-N 3.3Å; Q146-V148 PolarHBondContact O-N 2.78Å; Q146-A149 WeakPolarHBondContact O-CB 3.28Å; Q146-A149 PolarHBondContact O-N 3.34Å; Q146-A149 VanDerWaalsContact O-N 3.09Å; Q146-I150 WeakPolarHBondContact O-CG1 3.39Å; Q146-I150 PolarHBondContact O-N 3.38Å; Q146-P166 WeakPolarHBondContact CG-O 3.39Å; Q146-P166 PolarHBondContact NE2-O 2.92Å; Q146-L170 HydrophobicContact CB-CD1 4.48Å; Q146-V178 HydrophobicContact CB-CG2 4.13Å; Q146-V178 HydrophobicContact CG-CG1 4Å; Q146-V178 HydrophobicContact CG-CG2 4.3Å
147R97.6Very high97.4Very high37 Ų3729.3 Ų29.314%0.1416%0.163CC..Hα-helixtrans-59-41.4171.6-71.3-174.4-78-168.7-23.2112.5V127 M129 G143 Q144 I150 A151 D177 V178 I181V127-R147 HydrophobicContact CB-CB 4.21Å; V127-R147 HydrophobicContact CG2-CB 4.3Å; V127-R147 WeakPolarHBondContact O-CD 3.29Å; M129-R147 HydrophobicContact CG-CB 3.88Å; M129-R147 HydrophobicContact SD-CB 4.37Å; G143-R147 VanDerWaalsContact O-CG 3.27Å; G143-R147 WeakPolarHBondContact O-CG 3.4Å; G143-R147 PolarHBondContact O-N 3.43Å; G143-R147 PolarHBondContact O-NE 2.84Å; Q144-R147 PolarHBondContact O-N 2.92Å; R147-I150 WeakPolarHBondContact O-CB 3.27Å; R147-I150 PolarHBondContact O-N 3.01Å; R147-A151 PolarHBondContact O-N 3.29Å; R147-D177 IonicContact CZ-OD2 3.61Å; R147-D177 IonicContact NH1-OD2 3.78Å; R147-D177 IonicContact NH2-OD2 3.55Å; R147-D177 PolarHBondContact NH2-OD2 2.66Å; R147-V178 HydrophobicContact CG-CG2 4.34Å; R147-I181 HydrophobicContact CB-CD1 4.27Å; R147-I181 HydrophobicContact CG-CD1 3.37Å
148V98.3Very high97.3Very high0 Ų029.8 Ų29.80%017%0.166CC..Hα-helixtrans-64.9-39.1173.61750000111.5L91 V97 L124 M129 L140 Q144 K145 Q146 I150 A151 R152L91-V148 HydrophobicContact CD1-CB 4.13Å; L91-V148 HydrophobicContact CD1-CG1 3.98Å; L91-V148 HydrophobicContact CD2-CG1 3.93Å; V97-V148 HydrophobicContact CB-CG1 4.47Å; V97-V148 HydrophobicContact CG1-CG1 3.93Å; V97-V148 HydrophobicContact CG1-CG2 3.76Å; V97-V148 HydrophobicContact CG2-CG1 4.32Å; V97-V148 HydrophobicContact CG2-CG2 3.94Å; L124-V148 HydrophobicContact CD2-CG2 4.41Å; M129-V148 HydrophobicContact CB-CG2 4.27Å; M129-V148 HydrophobicContact CE-CG2 3.67Å; M129-V148 HydrophobicContact CG-CG2 3.99Å; L140-V148 HydrophobicContact CD1-CG2 4.08Å; Q144-V148 WeakPolarHBondContact O-CG2 3.39Å; Q144-V148 PolarHBondContact O-N 3.1Å; K145-V148 PolarHBondContact O-N 2.92Å; Q146-V148 VanDerWaalsContact C-N 3.3Å; Q146-V148 PolarHBondContact O-N 2.78Å; V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 PolarHBondContact O-N 3.48Å; V148-A151 PolarHBondContact O-N 2.86Å; V148-R152 WeakPolarHBondContact O-CB 3.29Å; V148-R152 PolarHBondContact O-N 3.23Å
149A98.2Very high97.3Very high4 Ų428.1 Ų28.13%0.03314%0.143CC..Hα-helixtrans-61.6-40.1175.500000111.9L91 K145 Q146 R152 A153L91-A149 HydrophobicContact CD2-CB 4.27Å; K145-A149 PolarHBondContact O-N 2.9Å; Q146-A149 WeakPolarHBondContact O-CB 3.28Å; Q146-A149 PolarHBondContact O-N 3.34Å; Q146-A149 VanDerWaalsContact O-N 3.09Å; A149-R152 PolarHBondContact O-N 3.19Å; A149-A153 PolarHBondContact O-N 3.03Å
150I98.2Very high97.4Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-61.4-52.2172.7-64.5170.9000110.5V85 V127 Q146 R147 V148 R152 A153 L154 F163 V178 I181 M182 L185V85-I150 HydrophobicContact CG1-CG1 4.17Å; V85-I150 HydrophobicContact CG2-CG1 4.03Å; V127-I150 HydrophobicContact CG1-CG2 4.15Å; Q146-I150 WeakPolarHBondContact O-CG1 3.39Å; Q146-I150 PolarHBondContact O-N 3.38Å; R147-I150 WeakPolarHBondContact O-CB 3.27Å; R147-I150 PolarHBondContact O-N 3.01Å; V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 PolarHBondContact O-N 3.48Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 PolarHBondContact O-N 3.36Å; I150-A153 PolarHBondContact O-N 3.45Å; I150-A153 VanDerWaalsContact O-N 3.14Å; I150-L154 HydrophobicContact CG2-CD1 3.79Å; I150-L154 HydrophobicContact CG2-CG 4.28Å; I150-L154 WeakPolarHBondContact O-CG 3.28Å; I150-L154 PolarHBondContact O-N 3.13Å; I150-F163 HydrophobicContact CD1-CE1 4.37Å; I150-F163 HydrophobicContact CG1-CE1 4.13Å; I150-V178 HydrophobicContact CD1-CG1 4.05Å; I150-I181 HydrophobicContact CD1-CG2 4.19Å; I150-I181 HydrophobicContact CG2-CG2 4.24Å; I150-M182 HydrophobicContact CD1-CG 4.35Å; I150-L185 HydrophobicContact CG2-CD1 3.73Å
151A98.2Very high97.4Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-59.1-38.2178.700000112.7N123 L124 V127 R147 V148 L154 S155N123-A151 HydrophobicContact CB-CB 4.32Å; L124-A151 HydrophobicContact CD2-CB 3.92Å; L124-A151 HydrophobicContact CG-CB 4.34Å; V127-A151 HydrophobicContact CG1-CB 4.21Å; V127-A151 HydrophobicContact CG2-CB 3.72Å; R147-A151 PolarHBondContact O-N 3.29Å; V148-A151 PolarHBondContact O-N 2.86Å; A151-L154 PolarHBondContact O-N 2.85Å; A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 3.39Å; A151-S155 PolarHBondContact O-OG 2.97Å
152R98.4Very high97.6Very high49 Ų4919.3 Ų19.319%0.18510%0.098CC..Hα-helixtrans-62.1-46175.1178.4178.573.9172.7-0.1111.9N90 N100 V148 A149 I150 S155N90-R152 VanDerWaalsContact O-CZ 3.26Å; N90-R152 PolarHBondContact O-NH1 3.02Å; N90-R152 PolarHBondContact O-NH2 3.22Å; N100-R152 WeakPolarHBondContact O-CD 3.24Å; N100-R152 VanDerWaalsContact O-CG 3.29Å; N100-R152 WeakPolarHBondContact O-CG 3.49Å; V148-R152 WeakPolarHBondContact O-CB 3.29Å; V148-R152 PolarHBondContact O-N 3.23Å; A149-R152 PolarHBondContact O-N 3.19Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 PolarHBondContact O-N 3.36Å; R152-S155 WeakPolarHBondContact O-CB 3.48Å; R152-S155 PolarHBondContact O-N 3.16Å
153A97.9Very high97.7Very high10 Ų1018.5 Ų18.58%0.0839%0.089CC..Hα-helixtrans-64-44.9177.400000111.3V85 A149 I150 S155 M156 P158 M161V85-A153 HydrophobicContact CG2-CB 4.03Å; A149-A153 PolarHBondContact O-N 3.03Å; I150-A153 PolarHBondContact O-N 3.45Å; I150-A153 VanDerWaalsContact O-N 3.14Å; A153-S155 PolarHBondContact O-N 3.09Å; A153-M156 PolarHBondContact O-N 3.47Å; A153-P158 WeakPolarHBondContact O-CD 3.47Å; A153-M161 HydrophobicContact CB-CE 3.76Å; A153-M161 HydrophobicContact CB-SD 4.05Å
154L97.9Very high97.8Very high15 Ų1518.9 Ų18.98%0.0799%0.091CC..Hα-helixtrans-62.1-30.2176.3-69172.6000113.1I150 A151 M156 N157 M161 L185 L190I150-L154 HydrophobicContact CG2-CD1 3.79Å; I150-L154 HydrophobicContact CG2-CG 4.28Å; I150-L154 WeakPolarHBondContact O-CG 3.28Å; I150-L154 PolarHBondContact O-N 3.13Å; A151-L154 PolarHBondContact O-N 2.85Å; L154-M156 PolarHBondContact O-N 3Å; L154-M156 VanDerWaalsContact O-N 3.17Å; L154-N157 WeakPolarHBondContact O-CA 3.46Å; L154-N157 PolarHBondContact O-N 3.19Å; L154-N157 PolarHBondContact O-OD1 2.93Å; L154-M161 HydrophobicContact CD2-CE 4.36Å; L154-M161 HydrophobicContact CD2-CG 4.17Å; L154-M161 HydrophobicContact CD2-SD 4.07Å; L154-L185 HydrophobicContact CD1-CD1 4.09Å; L154-L185 HydrophobicContact CD1-CD2 3.73Å; L154-L185 HydrophobicContact CD2-CD2 4.16Å; L154-L190 HydrophobicContact CD2-CD2 3.8Å
155S98.2Very high97.7Very high0 Ų018.7 Ų18.70%09%0.09CC..THydrogen-bonded Turntrans-65.1-18.1-179.3-66.30000113.8C101 Q105 R111 N123 A151 R152 A153 N157C101-S155 WeakPolarHBondContact O-CB 3.38Å; Q105-S155 VanDerWaalsContact CG-O 3.28Å; Q105-S155 WeakPolarHBondContact CG-O 3.28Å; R111-S155 PolarHBondContact NH1-O 3.28Å; N123-S155 VanDerWaalsContact ND2-CA 3.33Å; N123-S155 WeakPolarHBondContact ND2-CA 3.48Å; N123-S155 PolarHBondContact ND2-N 3.06Å; N123-S155 PolarHBondContact ND2-OG 3.4Å; A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 3.39Å; A151-S155 PolarHBondContact O-OG 2.97Å; R152-S155 WeakPolarHBondContact O-CB 3.48Å; R152-S155 PolarHBondContact O-N 3.16Å; A153-S155 PolarHBondContact O-N 3.09Å; S155-N157 PolarHBondContact O-N 3.06Å
156M97.7Very high97.6Very high35 Ų3516.4 Ų16.417%0.1728%0.08CC..THydrogen-bonded Turntrans-75.3-7.2170.7-61.8-59.5-68.300113.2Q105 V108 L109 A153 L154Q105-M156 HydrophobicContact CG-SD 4.4Å; V108-M156 HydrophobicContact CB-CE 4.15Å; V108-M156 HydrophobicContact CG1-CE 4.36Å; L109-M156 HydrophobicContact CD1-CE 4.05Å; L109-M156 HydrophobicContact CD1-SD 4.29Å; L109-M156 HydrophobicContact CD2-CE 3.91Å; L109-M156 HydrophobicContact CG-CE 3.74Å; L109-M156 HydrophobicContact CG-SD 4.45Å; A153-M156 PolarHBondContact O-N 3.47Å; L154-M156 PolarHBondContact O-N 3Å; L154-M156 VanDerWaalsContact O-N 3.17Å
157N96.6Very high97.5Very high91 Ų9116.5 Ų16.549%0.4878%0.081SC..  trans51.355.5-168.5-61.3-19.9000112.7R111 L154 S155R111-N157 PolarHBondContact NH2-ND2 2.9Å; L154-N157 WeakPolarHBondContact O-CA 3.46Å; L154-N157 PolarHBondContact O-N 3.19Å; L154-N157 PolarHBondContact O-OD1 2.93Å; S155-N157 PolarHBondContact O-N 3.06Å
158P97.5Very high97.2Very high12 Ų1217.1 Ų17.18%0.0789%0.091CC..  trans-69.3152.6-17932.1-35.5000111.3H81 A153 M161H81-P158 CarbonylContact O-C 3.59Å; A153-P158 WeakPolarHBondContact O-CD 3.47Å; P158-M161 HydrophobicContact CB-SD 4.48Å; P158-M161 HydrophobicContact CG-CG 4.1Å; P158-M161 HydrophobicContact CG-SD 3.53Å; P158-M161 VanDerWaalsContact CG-SD 3.53Å
159E96.9Very high96.9Very high53 Ų5319.8 Ų19.825%0.24811%0.113CC..SBendtrans-87.5-23.7172.6-64.3178.7-150.800112.3I4 Y63 Q64 H81 T191I4-E159 HydrophobicContact CD1-CB 3.76Å; I4-E159 WeakPolarHBondContact CD1-OE2 3.37Å; Y63-E159 PolarHBondContact OH-OE1 2.98Å; Y63-E159 VanDerWaalsContact OH-OE1 3.1Å; Y63-E159 PolarHBondContact OH-OE2 3.08Å; Q64-E159 PolarHBondContact NE2-OE2 3.16Å; H81-E159 IonicContact CE1-OE1 2.74Å; H81-E159 IonicContact CG-OE1 2.91Å; H81-E159 IonicContact ND1-OE1 3.26Å; H81-E159 PolarHBondContact ND1-OE1 3.37Å; H81-E159 PolarHBondContact O-N 2.91Å; E159-T191 WeakPolarHBondContact O-CB 3.18Å; E159-T191 PolarHBondContact O-OG1 3.17Å
160V98Very high96.7Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-132.5128.5176.4-176.90000109.8I4 I5 H81 L82 G83 L162 T191 V193I4-V160 HydrophobicContact CD1-CG2 3.72Å; I4-V160 HydrophobicContact CG1-CG2 4.13Å; I4-V160 HydrophobicContact CG2-CG2 3.98Å; I5-V160 HydrophobicContact CD1-CB 4.21Å; I5-V160 HydrophobicContact CD1-CG1 3.91Å; I5-V160 HydrophobicContact CD1-CG2 3.87Å; I5-V160 HydrophobicContact CG1-CG2 4.36Å; H81-V160 PolarHBondContact O-N 3.41Å; L82-V160 WeakPolarHBondContact CA-O 3.48Å; L82-V160 HydrophobicContact CD2-CB 3.84Å; L82-V160 HydrophobicContact CD2-CG1 4.13Å; G83-V160 PolarHBondContact N-O 3.37Å; V160-L162 HydrophobicContact CG1-CD2 3.91Å; V160-T191 HydrophobicContact CG1-CG2 4.32Å; V160-T191 HydrophobicContact CG2-CG2 4.1Å; V160-V193 HydrophobicContact CG1-CG2 4.46Å
161M98.2Very high96.4Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-101.9128.6172.4-78.4-66.9-6600110.8V85 A153 L154 P158 F163 L190 T191 M192 V193V85-M161 HydrophobicContact CG2-CE 3.84Å; A153-M161 HydrophobicContact CB-CE 3.76Å; A153-M161 HydrophobicContact CB-SD 4.05Å; L154-M161 HydrophobicContact CD2-CE 4.36Å; L154-M161 HydrophobicContact CD2-CG 4.17Å; L154-M161 HydrophobicContact CD2-SD 4.07Å; P158-M161 HydrophobicContact CB-SD 4.48Å; P158-M161 HydrophobicContact CG-CG 4.1Å; P158-M161 HydrophobicContact CG-SD 3.53Å; P158-M161 VanDerWaalsContact CG-SD 3.53Å; M161-F163 HydrophobicContact CB-CD2 4.37Å; M161-F163 HydrophobicContact CB-CE2 3.61Å; M161-F163 HydrophobicContact CB-CZ 4.25Å; M161-F163 HydrophobicContact CE-CE1 4.16Å; M161-F163 HydrophobicContact CE-CE2 4.05Å; M161-F163 HydrophobicContact CE-CZ 3.59Å; M161-L190 HydrophobicContact CB-CD2 4.22Å; M161-L190 HydrophobicContact CG-CD2 3.48Å; M161-L190 VanDerWaalsContact CG-CD2 3.48Å; M161-L190 HydrophobicContact CG-CG 4.15Å; M161-T191 PolarHBondContact N-O 3.46Å; M161-M192 HydrophobicContact CB-CG 4.22Å; M161-M192 CarbonylContact O-C 3.54Å; M161-M192 VanDerWaalsContact O-CA 3.3Å; M161-M192 WeakPolarHBondContact O-CA 3.42Å; M161-V193 PolarHBondContact O-N 3.06Å
162L98.4Very high96.1Very high0 Ų030.8 Ų30.80%018%0.178CC..EExtended strand (participates in β ladder)trans-110.9128.3-180-60-177.2000109.1L47 I50 N51 L82 G83 M84 V85 V160 V193L47-L162 HydrophobicContact CD2-CB 3.61Å; L47-L162 HydrophobicContact CD2-CD1 4.49Å; L47-L162 HydrophobicContact CD2-CG 4.48Å; L47-L162 HydrophobicContact CG-CB 4.33Å; I50-L162 HydrophobicContact CB-CD1 4.36Å; I50-L162 HydrophobicContact CG2-CD1 4.11Å; I50-L162 HydrophobicContact CG2-CD2 4.28Å; N51-L162 HydrophobicContact CB-CD1 3.75Å; L82-L162 HydrophobicContact CD2-CD1 3.9Å; L82-L162 HydrophobicContact CD2-CG 4.14Å; G83-L162 WeakPolarHBondContact O-CB 3.43Å; G83-L162 PolarHBondContact O-N 3.39Å; M84-L162 CarbonylContact C-O 3.59Å; M84-L162 VanDerWaalsContact CA-O 3.3Å; M84-L162 WeakPolarHBondContact CA-O 3.3Å; M84-L162 HydrophobicContact CB-CB 4.22Å; M84-L162 HydrophobicContact CG-CB 4.07Å; V85-L162 PolarHBondContact N-O 3.05Å; V160-L162 HydrophobicContact CG1-CD2 3.91Å; L162-V193 CarbonylContact C-O 3.43Å; L162-V193 WeakPolarHBondContact CA-O 3.33Å; L162-V193 HydrophobicContact CD2-CB 3.7Å; L162-V193 HydrophobicContact CD2-CG2 3.91Å
163F98.2Very high95.8Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-122.2117.3178.6-65.1-94.6000109.9V85 I150 M161 P166 M182 L185 M192 V193 I194 V195V85-F163 HydrophobicContact CB-CD1 3.7Å; V85-F163 HydrophobicContact CB-CE1 4Å; V85-F163 HydrophobicContact CG1-CD1 4.16Å; V85-F163 HydrophobicContact CG1-CE1 4.46Å; V85-F163 HydrophobicContact CG2-CD1 4.08Å; V85-F163 HydrophobicContact CG2-CE1 3.85Å; V85-F163 WeakPolarHBondContact O-CA 2.96Å; I150-F163 HydrophobicContact CD1-CE1 4.37Å; I150-F163 HydrophobicContact CG1-CE1 4.13Å; M161-F163 HydrophobicContact CB-CD2 4.37Å; M161-F163 HydrophobicContact CB-CE2 3.61Å; M161-F163 HydrophobicContact CB-CZ 4.25Å; M161-F163 HydrophobicContact CE-CE1 4.16Å; M161-F163 HydrophobicContact CE-CE2 4.05Å; M161-F163 HydrophobicContact CE-CZ 3.59Å; F163-P166 HydrophobicContact CB-CG 4.04Å; F163-P166 HydrophobicContact CD1-CB 4.16Å; F163-P166 HydrophobicContact CD1-CG 4.09Å; F163-P166 HydrophobicContact CG-CG 4.49Å; F163-M182 HydrophobicContact CB-CE 4.13Å; F163-M182 HydrophobicContact CD1-CE 3.76Å; F163-M182 HydrophobicContact CD1-CG 4.46Å; F163-M182 HydrophobicContact CD1-SD 4.11Å; F163-M182 HydrophobicContact CD2-CE 4.23Å; F163-M182 HydrophobicContact CE1-CE 4.17Å; F163-M182 HydrophobicContact CE1-CG 4.02Å; F163-M182 HydrophobicContact CE1-SD 4.27Å; F163-M182 HydrophobicContact CG-CE 3.79Å; F163-M182 HydrophobicContact CZ-CG 4.4Å; F163-L185 HydrophobicContact CZ-CD1 4.34Å; F163-M192 HydrophobicContact CD2-CE 4.02Å; F163-M192 HydrophobicContact CE2-CE 3.32Å; F163-M192 HydrophobicContact CE2-CG 4.28Å; F163-M192 HydrophobicContact CZ-CE 3.85Å; F163-V193 PolarHBondContact N-O 3.3Å; F163-I194 HydrophobicContact CB-CB 4.43Å; F163-I194 HydrophobicContact CB-CG1 4.35Å; F163-I194 HydrophobicContact CB-CG2 4.12Å; F163-I194 HydrophobicContact CD2-CG1 3.98Å; F163-I194 HydrophobicContact CG-CG1 4.5Å; F163-V195 PolarHBondContact O-N 3.14Å
164D97Very high95.5Very high7 Ų738.9 Ų38.94%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-105.390.5176.9-167.215.9000109S44 L47 R48 M84 V85 F86 Q87S44-D164 WeakPolarHBondContact CB-OD1 3.4Å; S44-D164 WeakPolarHBondContact CB-OD2 3.21Å; S44-D164 PolarHBondContact OG-OD1 2.68Å; L47-D164 HydrophobicContact CD2-CB 4.09Å; R48-D164 IonicContact NE-OD2 3.01Å; R48-D164 IonicContact NH2-OD2 3.99Å; M84-D164 HydrophobicContact CE-CB 3.92Å; V85-D164 PolarHBondContact O-N 3.04Å; F86-D164 CarbonylContact C-O 3.6Å; Q87-D164 PolarHBondContact N-O 3.32Å
165E95.1Very high95.4Very high30 Ų3039 Ų3914%0.1422%0.218CC..SBendtrans52.355.8177.7-68.7-162.9-146.900114.1Q87 T167 S168 V195 H197Q87-E165 WeakPolarHBondContact CA-O 3.46Å; Q87-E165 HydrophobicContact CB-CB 4.37Å; Q87-E165 WeakPolarHBondContact CB-O 3.37Å; E165-T167 PolarHBondContact O-N 3.35Å; E165-S168 WeakPolarHBondContact CB-OG 3.29Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-S168 WeakPolarHBondContact OE2-CB 3.48Å; E165-S168 PolarHBondContact OE2-OG 2.93Å; E165-V195 VanDerWaalsContact CA-O 3.29Å; E165-V195 WeakPolarHBondContact CA-O 3.38Å; E165-V195 HydrophobicContact CG-CG1 3.79Å; E165-V195 PolarHBondContact N-O 3.34Å; E165-H197 IonicContact OE1-CD2 3.41Å; E165-H197 IonicContact OE1-NE2 3.48Å; E165-H197 PolarHBondContact OE1-NE2 3.19Å; E165-H197 IonicContact OE2-CD2 3.53Å; E165-H197 PolarHBondContact OE2-CD2 3.06Å; E165-H197 IonicContact OE2-NE2 2.82Å
166P95.5Very high95.2Very high1 Ų140.8 Ų40.81%0.00624%0.236CC..THydrogen-bonded Turntrans-67.8-15.7-167.529.3-36.9000113.9V85 Q146 F163 M182V85-P166 HydrophobicContact CG1-CB 4.19Å; Q146-P166 WeakPolarHBondContact CG-O 3.39Å; Q146-P166 PolarHBondContact NE2-O 2.92Å; F163-P166 HydrophobicContact CB-CG 4.04Å; F163-P166 HydrophobicContact CD1-CB 4.16Å; F163-P166 HydrophobicContact CD1-CG 4.09Å; F163-P166 HydrophobicContact CG-CG 4.49Å; P166-M182 HydrophobicContact CB-SD 4.24Å; P166-M182 HydrophobicContact CG-CE 3.73Å; P166-M182 HydrophobicContact CG-SD 3.52Å; P166-M182 VanDerWaalsContact CG-SD 3.52Å
167T95.5Very high94.9Very high3 Ų342.9 Ų42.92%0.01825%0.248CC..THydrogen-bonded Turntrans-110.2-10.7-178.555.90000113.8E165 A169 L170 V175 V178 L179E165-T167 PolarHBondContact O-N 3.35Å; T167-A169 PolarHBondContact O-N 3.38Å; T167-A169 VanDerWaalsContact O-N 3.11Å; T167-L170 HydrophobicContact CG2-CD1 4.29Å; T167-L170 WeakPolarHBondContact O-CB 3.46Å; T167-L170 PolarHBondContact O-N 3.33Å; T167-V175 HydrophobicContact CG2-CG1 4.12Å; T167-V178 HydrophobicContact CG2-CB 4.06Å; T167-V178 HydrophobicContact CG2-CG1 3.89Å; T167-L179 HydrophobicContact CG2-CD2 3.73Å; T167-L179 HydrophobicContact CG2-CG 4.06Å
168S92.2Very high94.9Very high49 Ų4938.5 Ų38.534%0.34323%0.225SC..THydrogen-bonded Turntrans-64.8-20.6-171.4-64.10000114.6E165E165-S168 WeakPolarHBondContact CB-OG 3.29Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-S168 WeakPolarHBondContact OE2-CB 3.48Å; E165-S168 PolarHBondContact OE2-OG 2.93Å
169A91.3Very high94.9Very high57 Ų5738.9 Ų38.947%0.47123%0.226SC..THydrogen-bonded Turntrans-102.412.9176.900000113.6Q87 T167Q87-A169 HydrophobicContact CG-CB 3.66Å; T167-A169 PolarHBondContact O-N 3.38Å; T167-A169 VanDerWaalsContact O-N 3.11Å
170L93.7Very high94.9Very high19 Ų1941.1 Ų41.110%0.09924%0.236CC..SBendtrans-99.7148.4-178.8-60.4-177.4000111.5F89 Q146 T167 M174 V175 V178F89-L170 HydrophobicContact CE1-CD2 3.64Å; F89-L170 HydrophobicContact CZ-CD2 3.75Å; Q146-L170 HydrophobicContact CB-CD1 4.48Å; T167-L170 HydrophobicContact CG2-CD1 4.29Å; T167-L170 WeakPolarHBondContact O-CB 3.46Å; T167-L170 PolarHBondContact O-N 3.33Å; L170-M174 HydrophobicContact CB-CB 4.48Å; L170-V175 HydrophobicContact CB-CG2 4.14Å; L170-V178 HydrophobicContact CD1-CB 4.24Å; L170-V178 HydrophobicContact CD1-CG2 3.64Å
171D93Very high94.8Very high101 Ų10141.8 Ų41.854%0.5424%0.24SC..  trans-60.7142.6166-60.5-43.8000109.5E173 M174 V175D171-E173 PolarHBondContact O-N 3.05Å; D171-M174 HydrophobicContact CB-CE 4.44Å; D171-M174 HydrophobicContact CB-CG 4.46Å; D171-M174 PolarHBondContact O-N 3.12Å; D171-V175 PolarHBondContact O-N 3.35Å
172P91.1Very high94.8Very high115 Ų11541.8 Ų41.875%0.74724%0.24SC*.Hα-helixtrans-52-36.1-175.6-30.235.6000114.4M174 V175P172-M174 PolarHBondContact O-N 2.87Å; P172-V175 PolarHBondContact O-N 3.35Å
173E91.8Very high94.7Very high185 Ų18544 Ų4486%0.86425%0.25SC*.Hα-helixtrans-65.1-21.9179.1-60.4-179.4179.100113.3D171D171-E173 PolarHBondContact O-N 3.05Å
174M92.5Very high94.6Very high43 Ų4350.3 Ų50.321%0.21228%0.277CS..Hα-helixtrans-98.9-13-177.3-56.8-170.8-163.300113.7G143 L170 D171 P172 G176G143-M174 PolarHBondContact N-SD 3.26Å; L170-M174 HydrophobicContact CB-CB 4.48Å; D171-M174 HydrophobicContact CB-CE 4.44Å; D171-M174 HydrophobicContact CB-CG 4.46Å; D171-M174 PolarHBondContact O-N 3.12Å; P172-M174 PolarHBondContact O-N 2.87Å; M174-G176 PolarHBondContact O-N 3.2Å
175V95Very high94.6Very high18 Ų1850.9 Ų50.911%0.10928%0.28CS..Hα-helixtrans-61.2-45.8-177.4171.60000110.8T167 L170 D171 P172 D177 V178 L179T167-V175 HydrophobicContact CG2-CG1 4.12Å; L170-V175 HydrophobicContact CB-CG2 4.14Å; D171-V175 PolarHBondContact O-N 3.35Å; P172-V175 PolarHBondContact O-N 3.35Å; V175-D177 PolarHBondContact O-N 3.09Å; V175-V178 PolarHBondContact O-N 3.01Å; V175-V178 VanDerWaalsContact O-N 3.14Å; V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.97Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.14Å
176G94Very high94.7Very high38 Ų3850.2 Ų50.239%0.39228%0.279SS..Hα-helixtrans-55.7-46.5-177.500000113.1M174 V178 L179 Q180M174-G176 PolarHBondContact O-N 3.2Å; G176-V178 VanDerWaalsContact C-N 3.28Å; G176-V178 PolarHBondContact O-N 2.68Å; G176-L179 PolarHBondContact O-N 3.05Å; G176-Q180 WeakPolarHBondContact O-CB 3.5Å; G176-Q180 VanDerWaalsContact O-CG 3.29Å; G176-Q180 WeakPolarHBondContact O-CG 3.42Å; G176-Q180 PolarHBondContact O-N 2.86Å
177D92.5Very high94.7Very high78 Ų7856.5 Ų56.542%0.41731%0.309SS..Hα-helixtrans-56-41.8179-846.9000112.5R147 V175 I181R147-D177 IonicContact CZ-OD2 3.61Å; R147-D177 IonicContact NH1-OD2 3.78Å; R147-D177 IonicContact NH2-OD2 3.55Å; R147-D177 PolarHBondContact NH2-OD2 2.66Å; V175-D177 PolarHBondContact O-N 3.09Å; D177-I181 PolarHBondContact O-N 3.44Å
178V96.3Very high94.6Very high0 Ų060.5 Ų60.50%034%0.337CS..Hα-helixtrans-74.4-44.5-178.1177.70000110.5Q146 R147 I150 T167 L170 V175 G176 Q180 I181 M182Q146-V178 HydrophobicContact CB-CG2 4.13Å; Q146-V178 HydrophobicContact CG-CG1 4Å; Q146-V178 HydrophobicContact CG-CG2 4.3Å; R147-V178 HydrophobicContact CG-CG2 4.34Å; I150-V178 HydrophobicContact CD1-CG1 4.05Å; T167-V178 HydrophobicContact CG2-CB 4.06Å; T167-V178 HydrophobicContact CG2-CG1 3.89Å; L170-V178 HydrophobicContact CD1-CB 4.24Å; L170-V178 HydrophobicContact CD1-CG2 3.64Å; V175-V178 PolarHBondContact O-N 3.01Å; V175-V178 VanDerWaalsContact O-N 3.14Å; G176-V178 VanDerWaalsContact C-N 3.28Å; G176-V178 PolarHBondContact O-N 2.68Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.87Å; V178-I181 PolarHBondContact O-N 3.39Å; V178-M182 HydrophobicContact CG1-SD 4.25Å; V178-M182 WeakPolarHBondContact O-CG 3.31Å; V178-M182 PolarHBondContact O-N 3.21Å
179L96.9Very high94.8Very high19 Ų1960.4 Ų60.410%0.09934%0.344CS..Hα-helixtrans-61.6-38.8177.2-65.7-178.2000112.2T167 V175 G176 I181 M182 K183 E198 F201T167-L179 HydrophobicContact CG2-CD2 3.73Å; T167-L179 HydrophobicContact CG2-CG 4.06Å; V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.97Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.14Å; G176-L179 PolarHBondContact O-N 3.05Å; L179-I181 VanDerWaalsContact C-N 3.3Å; L179-I181 PolarHBondContact O-N 3.3Å; L179-M182 HydrophobicContact CD2-SD 4.37Å; L179-M182 PolarHBondContact O-N 2.9Å; L179-K183 WeakPolarHBondContact O-CB 3.33Å; L179-K183 PolarHBondContact O-N 3.15Å; L179-E198 HydrophobicContact CD1-CB 4.24Å; L179-E198 HydrophobicContact CD1-CG 4Å; L179-E198 HydrophobicContact CD2-CB 4.48Å; L179-E198 HydrophobicContact CD2-CG 4.24Å; L179-F201 HydrophobicContact CB-CD2 4.01Å; L179-F201 HydrophobicContact CB-CE2 4.39Å; L179-F201 HydrophobicContact CD1-CB 4.16Å; L179-F201 HydrophobicContact CD1-CG 4.5Å; L179-F201 HydrophobicContact CD2-CB 4.27Å; L179-F201 HydrophobicContact CD2-CD1 4.08Å; L179-F201 HydrophobicContact CD2-CD2 3.92Å; L179-F201 HydrophobicContact CD2-CE1 4.44Å; L179-F201 HydrophobicContact CD2-CE2 4.27Å; L179-F201 HydrophobicContact CD2-CG 3.81Å; L179-F201 HydrophobicContact CG-CD2 4.39Å; L179-F201 WeakPolarHBondContact O-CE2 3.39Å
180Q96.4Very high95Very high100 Ų10059.1 Ų59.147%0.46733%0.329SS..Hα-helixtrans-62.8-36.1176.2-72-55.2-4500112.7G176 V178 K184G176-Q180 WeakPolarHBondContact O-CB 3.5Å; G176-Q180 VanDerWaalsContact O-CG 3.29Å; G176-Q180 WeakPolarHBondContact O-CG 3.42Å; G176-Q180 PolarHBondContact O-N 2.86Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.87Å; Q180-K184 WeakPolarHBondContact O-CG 3.49Å; Q180-K184 PolarHBondContact O-N 3.3Å; Q180-K184 VanDerWaalsContact O-N 3.13Å
181I96.4Very high95.2Very high14 Ų1458.4 Ų58.47%0.07233%0.325CS..Hα-helixtrans-68.9-45174.2-73.5161.3000110.5V127 R147 I150 D177 V178 L179 K183 K184 L185V127-I181 HydrophobicContact CB-CD1 3.98Å; V127-I181 HydrophobicContact CB-CG2 4.48Å; V127-I181 HydrophobicContact CG1-CG2 3.89Å; V127-I181 WeakPolarHBondContact O-CD1 3.47Å; R147-I181 HydrophobicContact CB-CD1 4.27Å; R147-I181 HydrophobicContact CG-CD1 3.37Å; I150-I181 HydrophobicContact CD1-CG2 4.19Å; I150-I181 HydrophobicContact CG2-CG2 4.24Å; D177-I181 PolarHBondContact O-N 3.44Å; V178-I181 PolarHBondContact O-N 3.39Å; L179-I181 VanDerWaalsContact C-N 3.3Å; L179-I181 PolarHBondContact O-N 3.3Å; I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 2.87Å; I181-K184 PolarHBondContact O-N 2.87Å; I181-L185 HydrophobicContact CG2-CD1 4.25Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 3.36Å
182M97.6Very high95.5Very high0 Ų053.6 Ų53.60%030%0.299CS..Hα-helixtrans-60-39.2177.3-67.5176.261.800111.9I150 F163 P166 V178 L179 L185 A186 M192 I194 F201I150-M182 HydrophobicContact CD1-CG 4.35Å; F163-M182 HydrophobicContact CB-CE 4.13Å; F163-M182 HydrophobicContact CD1-CE 3.76Å; F163-M182 HydrophobicContact CD1-CG 4.46Å; F163-M182 HydrophobicContact CD1-SD 4.11Å; F163-M182 HydrophobicContact CD2-CE 4.23Å; F163-M182 HydrophobicContact CE1-CE 4.17Å; F163-M182 HydrophobicContact CE1-CG 4.02Å; F163-M182 HydrophobicContact CE1-SD 4.27Å; F163-M182 HydrophobicContact CG-CE 3.79Å; F163-M182 HydrophobicContact CZ-CG 4.4Å; P166-M182 HydrophobicContact CB-SD 4.24Å; P166-M182 HydrophobicContact CG-CE 3.73Å; P166-M182 HydrophobicContact CG-SD 3.52Å; P166-M182 VanDerWaalsContact CG-SD 3.52Å; V178-M182 HydrophobicContact CG1-SD 4.25Å; V178-M182 WeakPolarHBondContact O-CG 3.31Å; V178-M182 PolarHBondContact O-N 3.21Å; L179-M182 HydrophobicContact CD2-SD 4.37Å; L179-M182 PolarHBondContact O-N 2.9Å; M182-L185 WeakPolarHBondContact O-CB 3.35Å; M182-L185 PolarHBondContact O-N 3.48Å; M182-A186 PolarHBondContact O-N 2.94Å; M182-M192 HydrophobicContact CB-CE 4.37Å; M182-I194 HydrophobicContact CE-CD1 4.07Å; M182-I194 HydrophobicContact CE-CG1 4.32Å; M182-I194 HydrophobicContact CE-CG2 3.85Å; M182-F201 HydrophobicContact CB-CE2 3.91Å; M182-F201 HydrophobicContact CB-CZ 3.63Å; M182-F201 HydrophobicContact CE-CE1 3.92Å; M182-F201 HydrophobicContact CE-CZ 3.85Å; M182-F201 HydrophobicContact SD-CZ 4.48Å
183K97.3Very high95.8Very high47 Ų4748.1 Ų48.120%0.20426%0.264CS..Hα-helixtrans-60.3-47.9174-179176.1174.8-173.70112L179 I181 L185 A186 E187 F201 E204 V205L179-K183 WeakPolarHBondContact O-CB 3.33Å; L179-K183 PolarHBondContact O-N 3.15Å; I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 2.87Å; K183-L185 PolarHBondContact O-N 2.98Å; K183-A186 WeakPolarHBondContact O-CB 3.42Å; K183-A186 PolarHBondContact O-N 3.31Å; K183-A186 VanDerWaalsContact O-N 3.14Å; K183-E187 WeakPolarHBondContact CE-OE1 3.23Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.3Å; K183-F201 HydrophobicContact CB-CE2 4.31Å; K183-E204 VanDerWaalsContact CE-OE1 3.29Å; K183-E204 WeakPolarHBondContact CE-OE1 3.48Å; K183-E204 IonicContact NZ-OE1 3.93Å; K183-E204 PolarHBondContact NZ-OE1 3.32Å; K183-V205 HydrophobicContact CB-CG1 4.07Å; K183-V205 HydrophobicContact CG-CG1 3.91Å
184K96.5Very high96.1Very high133 Ų13339.3 Ų39.358%0.57822%0.223SC*.Hα-helixtrans-60.2-34.4175.8-71.1175.5-178.3-1780112.8Q180 I181 S188Q180-K184 WeakPolarHBondContact O-CG 3.49Å; Q180-K184 PolarHBondContact O-N 3.3Å; Q180-K184 VanDerWaalsContact O-N 3.13Å; I181-K184 PolarHBondContact O-N 2.87Å; K184-S188 PolarHBondContact O-N 3.06Å
185L96Very high96.4Very high19 Ų1937.3 Ų37.310%0.09921%0.213CC..Hα-helixtrans-68.5-42.5175.4-65.9173.5000111.6I150 L154 F163 I181 M182 K183 S188 L190 M192I150-L185 HydrophobicContact CG2-CD1 3.73Å; L154-L185 HydrophobicContact CD1-CD1 4.09Å; L154-L185 HydrophobicContact CD1-CD2 3.73Å; L154-L185 HydrophobicContact CD2-CD2 4.16Å; F163-L185 HydrophobicContact CZ-CD1 4.34Å; I181-L185 HydrophobicContact CG2-CD1 4.25Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 3.36Å; M182-L185 WeakPolarHBondContact O-CB 3.35Å; M182-L185 PolarHBondContact O-N 3.48Å; K183-L185 PolarHBondContact O-N 2.98Å; L185-S188 WeakPolarHBondContact O-CB 3.5Å; L185-S188 PolarHBondContact O-N 3.48Å; L185-S188 VanDerWaalsContact O-N 3.17Å; L185-S188 PolarHBondContact O-OG 2.73Å; L185-L190 HydrophobicContact CB-CD2 4.46Å; L185-M192 HydrophobicContact CB-CE 4.29Å; L185-M192 HydrophobicContact CB-SD 4.11Å
186A96.3Very high96.4Very high15 Ų1536.4 Ų36.412%0.12421%0.207CC..Hα-helixtrans-58.4-48.1173.600000111.3V32 M182 K183 S188 G189 M192 V205V32-A186 HydrophobicContact CG2-CB 3.8Å; M182-A186 PolarHBondContact O-N 2.94Å; K183-A186 WeakPolarHBondContact O-CB 3.42Å; K183-A186 PolarHBondContact O-N 3.31Å; K183-A186 VanDerWaalsContact O-N 3.14Å; A186-S188 PolarHBondContact O-N 2.76Å; A186-S188 VanDerWaalsContact O-N 3.12Å; A186-G189 PolarHBondContact O-N 3.11Å; A186-M192 HydrophobicContact CB-SD 3.91Å; A186-M192 PolarHBondContact N-SD 2.86Å; A186-V205 HydrophobicContact CB-CB 4.25Å
187E96.1Very high96.3Very high134 Ų13437.7 Ų37.763%0.62620%0.203SC*.Hα-helixtrans-60.7-22.8177.8-69.7170.8173.800113.6K183 G189K183-E187 WeakPolarHBondContact CE-OE1 3.23Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.3Å; E187-G189 PolarHBondContact O-N 2.89Å
188S94.7Very high96.4Very high87 Ų8737.1 Ų37.161%0.60820%0.198SC*.THydrogen-bonded Turntrans-76.1-6.6176.977.90000114.3K184 L185 A186K184-S188 PolarHBondContact O-N 3.06Å; L185-S188 WeakPolarHBondContact O-CB 3.5Å; L185-S188 PolarHBondContact O-N 3.48Å; L185-S188 VanDerWaalsContact O-N 3.17Å; L185-S188 PolarHBondContact O-OG 2.73Å; A186-S188 PolarHBondContact O-N 2.76Å; A186-S188 VanDerWaalsContact O-N 3.12Å
189G95.3Very high96.3Very high47 Ų4737.7 Ų37.749%0.48520%0.2SC..THydrogen-bonded Turntrans80.221.6-176.300000113.7G30 A186 E187G30-G189 WeakPolarHBondContact CA-O 3.41Å; A186-G189 PolarHBondContact O-N 3.11Å; E187-G189 PolarHBondContact O-N 2.89Å
190L96.2Very high96.1Very high30 Ų3040.6 Ų40.616%0.15723%0.227CC..  trans-74.7134.2174.3-173.160.7000109.9L154 M161 L185 M192L154-L190 HydrophobicContact CD2-CD2 3.8Å; M161-L190 HydrophobicContact CB-CD2 4.22Å; M161-L190 HydrophobicContact CG-CD2 3.48Å; M161-L190 VanDerWaalsContact CG-CD2 3.48Å; M161-L190 HydrophobicContact CG-CG 4.15Å; L185-L190 HydrophobicContact CB-CD2 4.46Å; L190-M192 HydrophobicContact CG-CG 4.49Å; L190-M192 PolarHBondContact O-N 3.41Å
191T98.1Very high96.1Very high4 Ų436.2 Ų36.23%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-68.1127.2174.8-40.60000110I4 V27 N28 G30 E159 V160 M161I4-T191 HydrophobicContact CG2-CG2 3.94Å; V27-T191 HydrophobicContact CG1-CG2 3.53Å; N28-T191 WeakPolarHBondContact O-CG2 3.29Å; G30-T191 PolarHBondContact N-OG1 3.18Å; E159-T191 WeakPolarHBondContact O-CB 3.18Å; E159-T191 PolarHBondContact O-OG1 3.17Å; V160-T191 HydrophobicContact CG1-CG2 4.32Å; V160-T191 HydrophobicContact CG2-CG2 4.1Å; M161-T191 PolarHBondContact N-O 3.46Å
192M98.5Very high96.1Very high0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-134135.6-175.2-66.2171.67500111.9E31 V32 V33 M161 F163 M182 L185 A186 L190 I194E31-M192 PolarHBondContact O-N 3.41Å; V32-M192 WeakPolarHBondContact CA-O 3.47Å; V32-M192 HydrophobicContact CG1-CB 4.21Å; V32-M192 HydrophobicContact CG2-CB 4.33Å; V32-M192 HydrophobicContact CG2-SD 4.45Å; V33-M192 PolarHBondContact N-O 2.92Å; M161-M192 HydrophobicContact CB-CG 4.22Å; M161-M192 CarbonylContact O-C 3.54Å; M161-M192 VanDerWaalsContact O-CA 3.3Å; M161-M192 WeakPolarHBondContact O-CA 3.42Å; F163-M192 HydrophobicContact CD2-CE 4.02Å; F163-M192 HydrophobicContact CE2-CE 3.32Å; F163-M192 HydrophobicContact CE2-CG 4.28Å; F163-M192 HydrophobicContact CZ-CE 3.85Å; M182-M192 HydrophobicContact CB-CE 4.37Å; L185-M192 HydrophobicContact CB-CE 4.29Å; L185-M192 HydrophobicContact CB-SD 4.11Å; A186-M192 HydrophobicContact CB-SD 3.91Å; A186-M192 PolarHBondContact N-SD 2.86Å; L190-M192 HydrophobicContact CG-CG 4.49Å; L190-M192 PolarHBondContact O-N 3.41Å; M192-I194 HydrophobicContact CB-CD1 4.3Å; M192-I194 HydrophobicContact CB-CG1 4.22Å; M192-I194 HydrophobicContact CE-CD1 3.81Å; M192-I194 HydrophobicContact CE-CG1 4.37Å
193V98.5Very high96Very high0 Ų040.8 Ų40.80%023%0.226CC..EExtended strand (participates in β ladder)trans-119.8118.5165.9-171.10000108.4V27 V33 I35 L47 V160 M161 L162 F163V27-V193 HydrophobicContact CG1-CG2 4.29Å; V27-V193 HydrophobicContact CG2-CG2 3.92Å; V33-V193 CarbonylContact O-C 3.49Å; V33-V193 VanDerWaalsContact O-CA 3.3Å; V33-V193 WeakPolarHBondContact O-CA 3.35Å; I35-V193 HydrophobicContact CD1-CG1 3.77Å; I35-V193 HydrophobicContact CG1-CG1 4.3Å; L47-V193 HydrophobicContact CD1-CB 4.44Å; L47-V193 HydrophobicContact CD1-CG1 3.9Å; V160-V193 HydrophobicContact CG1-CG2 4.46Å; M161-V193 PolarHBondContact O-N 3.06Å; L162-V193 CarbonylContact C-O 3.43Å; L162-V193 WeakPolarHBondContact CA-O 3.33Å; L162-V193 HydrophobicContact CD2-CB 3.7Å; L162-V193 HydrophobicContact CD2-CG2 3.91Å; F163-V193 PolarHBondContact N-O 3.3Å
194I98.3Very high96Very high0 Ų043.9 Ų43.90%024%0.241CC..EExtended strand (participates in β ladder)trans-122.6123.4-168.1-53.1171000109.5V32 V33 T34 I35 F163 M182 M192 T196 F201V32-I194 HydrophobicContact CG1-CD1 3.89Å; V33-I194 PolarHBondContact O-N 3.02Å; T34-I194 CarbonylContact C-O 3.47Å; T34-I194 VanDerWaalsContact CA-O 3.3Å; T34-I194 WeakPolarHBondContact CA-O 3.21Å; I35-I194 PolarHBondContact N-O 3.28Å; F163-I194 HydrophobicContact CB-CB 4.43Å; F163-I194 HydrophobicContact CB-CG1 4.35Å; F163-I194 HydrophobicContact CB-CG2 4.12Å; F163-I194 HydrophobicContact CD2-CG1 3.98Å; F163-I194 HydrophobicContact CG-CG1 4.5Å; M182-I194 HydrophobicContact CE-CD1 4.07Å; M182-I194 HydrophobicContact CE-CG1 4.32Å; M182-I194 HydrophobicContact CE-CG2 3.85Å; M192-I194 HydrophobicContact CB-CD1 4.3Å; M192-I194 HydrophobicContact CB-CG1 4.22Å; M192-I194 HydrophobicContact CE-CD1 3.81Å; M192-I194 HydrophobicContact CE-CG1 4.37Å; I194-T196 HydrophobicContact CG2-CG2 4.12Å; I194-F201 HydrophobicContact CD1-CE1 3.95Å; I194-F201 HydrophobicContact CD1-CZ 4.21Å; I194-F201 HydrophobicContact CG2-CE1 4.36Å
195V97.9Very high96Very high0 Ų038.3 Ų38.30%022%0.218CC..EExtended strand (participates in β ladder)trans-97123.2162.7175.40000107.5I35 K43 L47 F163 E165I35-V195 HydrophobicContact CB-CG2 3.94Å; I35-V195 HydrophobicContact CD1-CG2 4.39Å; I35-V195 HydrophobicContact CG2-CG2 4.36Å; I35-V195 WeakPolarHBondContact O-CA 3.36Å; K43-V195 HydrophobicContact CB-CG1 3.74Å; K43-V195 HydrophobicContact CB-CG2 3.88Å; K43-V195 HydrophobicContact CD-CG1 4Å; K43-V195 HydrophobicContact CG-CG1 4.5Å; L47-V195 HydrophobicContact CD1-CB 4.39Å; L47-V195 HydrophobicContact CD1-CG2 3.48Å; L47-V195 VanDerWaalsContact CD1-CG2 3.48Å; F163-V195 PolarHBondContact O-N 3.14Å; E165-V195 VanDerWaalsContact CA-O 3.29Å; E165-V195 WeakPolarHBondContact CA-O 3.38Å; E165-V195 HydrophobicContact CG-CG1 3.79Å; E165-V195 PolarHBondContact N-O 3.34Å
196T95.4Very high96.1Very high0 Ų037.9 Ų37.90%022%0.217CC..  trans-153156.2-177.9-171.10000112.5T34 I194 E198 F201 A202T34-T196 HydrophobicContact CG2-CG2 3.65Å; I194-T196 HydrophobicContact CG2-CG2 4.12Å; T196-E198 WeakPolarHBondContact OG1-CB 3.35Å; T196-E198 PolarHBondContact OG1-N 2.86Å; T196-F201 HydrophobicContact CG2-CD1 4.46Å; T196-A202 HydrophobicContact CG2-CB 4.23Å
197H91.7Very high96.2Very high64 Ų6441.8 Ų41.830%0.29624%0.236SC..SBendtrans-101.1-1168.2-73.5-75.3000112.9G37 E165 M199G37-H197 PolarHBondContact O-CE1 2.94Å; E165-H197 IonicContact OE1-CD2 3.41Å; E165-H197 IonicContact OE1-NE2 3.48Å; E165-H197 PolarHBondContact OE1-NE2 3.19Å; E165-H197 IonicContact OE2-CD2 3.53Å; E165-H197 PolarHBondContact OE2-CD2 3.06Å; E165-H197 IonicContact OE2-NE2 2.82Å; H197-M199 VanDerWaalsContact O-CE 3.31Å; H197-M199 WeakPolarHBondContact O-CE 3.47Å; H197-M199 PolarHBondContact O-N 2.97Å; H197-M199 VanDerWaalsContact O-N 3.09Å
198E94.1Very high96.3Very high66 Ų6637 Ų3731%0.30821%0.212SC..  trans-83.180179.6-60.1-63.3158.700111.2L179 T196 A200 F201 A202L179-E198 HydrophobicContact CD1-CB 4.24Å; L179-E198 HydrophobicContact CD1-CG 4Å; L179-E198 HydrophobicContact CD2-CB 4.48Å; L179-E198 HydrophobicContact CD2-CG 4.24Å; T196-E198 WeakPolarHBondContact OG1-CB 3.35Å; T196-E198 PolarHBondContact OG1-N 2.86Å; E198-A200 VanDerWaalsContact C-N 3.3Å; E198-A200 PolarHBondContact O-N 3.22Å; E198-F201 HydrophobicContact CB-CB 3.92Å; E198-F201 WeakPolarHBondContact O-CB 3.33Å; E198-F201 PolarHBondContact O-N 3.35Å; E198-F201 VanDerWaalsContact O-N 3.16Å; E198-A202 PolarHBondContact O-N 3.24Å
199M93.8Very high96.4Very high12 Ų1232.9 Ų32.96%0.05918%0.183CC..Hα-helixtrans-60.4-35.7-172.6-58.5-61.9122.100113.5I36 H197 A202 K203 F227 F238 L239 V242 L243I36-M199 HydrophobicContact CB-CE 4.19Å; I36-M199 HydrophobicContact CB-SD 4.42Å; I36-M199 HydrophobicContact CD1-SD 4.24Å; I36-M199 HydrophobicContact CG2-CE 3.77Å; I36-M199 HydrophobicContact CG2-SD 3.98Å; H197-M199 VanDerWaalsContact O-CE 3.31Å; H197-M199 WeakPolarHBondContact O-CE 3.47Å; H197-M199 PolarHBondContact O-N 2.97Å; H197-M199 VanDerWaalsContact O-N 3.09Å; M199-A202 PolarHBondContact O-N 2.96Å; M199-K203 WeakPolarHBondContact O-CB 3.44Å; M199-K203 PolarHBondContact O-N 3.44Å; M199-F227 HydrophobicContact CB-CE1 3.99Å; M199-F227 HydrophobicContact CB-CZ 4.5Å; M199-F227 HydrophobicContact CG-CE1 4.28Å; M199-F227 HydrophobicContact SD-CE1 3.66Å; M199-F227 HydrophobicContact SD-CZ 4.16Å; M199-F238 HydrophobicContact CE-CE1 4.34Å; M199-F238 HydrophobicContact CE-CZ 4.38Å; M199-F238 HydrophobicContact SD-CE1 4.35Å; M199-L239 HydrophobicContact SD-CD2 4.28Å; M199-V242 HydrophobicContact CE-CG1 4.26Å; M199-V242 HydrophobicContact CG-CB 4.46Å; M199-V242 HydrophobicContact CG-CG1 3.46Å; M199-V242 VanDerWaalsContact CG-CG1 3.46Å; M199-V242 HydrophobicContact SD-CG1 4.29Å; M199-L243 HydrophobicContact CB-CD2 4.01Å; M199-L243 HydrophobicContact CG-CD2 4.31Å
200A93.7Very high96.6Very high80 Ų8030.7 Ų30.766%0.66116%0.16SC*.Hα-helixtrans-63.9-44.9177.200000111.4E198 K203 E204E198-A200 VanDerWaalsContact C-N 3.3Å; E198-A200 PolarHBondContact O-N 3.22Å; A200-K203 PolarHBondContact O-N 2.73Å; A200-E204 WeakPolarHBondContact O-CB 3.38Å; A200-E204 PolarHBondContact O-N 3.35Å
201F95.9Very high96.7Very high8 Ų829.3 Ų29.34%0.03515%0.153CC..Hα-helixtrans-63-47174.4169.7-95.8000111.2L179 M182 K183 I194 T196 E198 K203 E204 V205L179-F201 HydrophobicContact CB-CD2 4.01Å; L179-F201 HydrophobicContact CB-CE2 4.39Å; L179-F201 HydrophobicContact CD1-CB 4.16Å; L179-F201 HydrophobicContact CD1-CG 4.5Å; L179-F201 HydrophobicContact CD2-CB 4.27Å; L179-F201 HydrophobicContact CD2-CD1 4.08Å; L179-F201 HydrophobicContact CD2-CD2 3.92Å; L179-F201 HydrophobicContact CD2-CE1 4.44Å; L179-F201 HydrophobicContact CD2-CE2 4.27Å; L179-F201 HydrophobicContact CD2-CG 3.81Å; L179-F201 HydrophobicContact CG-CD2 4.39Å; L179-F201 WeakPolarHBondContact O-CE2 3.39Å; M182-F201 HydrophobicContact CB-CE2 3.91Å; M182-F201 HydrophobicContact CB-CZ 3.63Å; M182-F201 HydrophobicContact CE-CE1 3.92Å; M182-F201 HydrophobicContact CE-CZ 3.85Å; M182-F201 HydrophobicContact SD-CZ 4.48Å; K183-F201 HydrophobicContact CB-CE2 4.31Å; I194-F201 HydrophobicContact CD1-CE1 3.95Å; I194-F201 HydrophobicContact CD1-CZ 4.21Å; I194-F201 HydrophobicContact CG2-CE1 4.36Å; T196-F201 HydrophobicContact CG2-CD1 4.46Å; E198-F201 HydrophobicContact CB-CB 3.92Å; E198-F201 WeakPolarHBondContact O-CB 3.33Å; E198-F201 PolarHBondContact O-N 3.35Å; E198-F201 VanDerWaalsContact O-N 3.16Å; F201-K203 VanDerWaalsContact C-N 3.28Å; F201-K203 PolarHBondContact O-N 3.4Å; F201-E204 PolarHBondContact O-N 3.09Å; F201-V205 HydrophobicContact CD1-CG2 4.17Å; F201-V205 HydrophobicContact CD2-CG1 3.97Å; F201-V205 HydrophobicContact CD2-CG2 4.36Å; F201-V205 HydrophobicContact CE1-CG2 3.67Å; F201-V205 HydrophobicContact CE2-CB 4.42Å; F201-V205 HydrophobicContact CE2-CG1 3.68Å; F201-V205 HydrophobicContact CE2-CG2 3.91Å; F201-V205 HydrophobicContact CG-CG2 4.49Å; F201-V205 HydrophobicContact CZ-CB 4.44Å; F201-V205 HydrophobicContact CZ-CG1 4.18Å; F201-V205 HydrophobicContact CZ-CG2 3.53Å; F201-V205 WeakPolarHBondContact O-CG2 3.45Å; F201-V205 PolarHBondContact O-N 2.93Å
202A96.5Very high96.7Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-55.9-44.4177.300000111.7T34 T196 E198 M199 E204 S206 F227T34-A202 HydrophobicContact CG2-CB 3.68Å; T196-A202 HydrophobicContact CG2-CB 4.23Å; E198-A202 PolarHBondContact O-N 3.24Å; M199-A202 PolarHBondContact O-N 2.96Å; A202-E204 VanDerWaalsContact C-N 3.29Å; A202-E204 PolarHBondContact O-N 2.7Å; A202-S206 WeakPolarHBondContact O-CB 3.42Å; A202-S206 PolarHBondContact O-N 3.4Å; A202-S206 PolarHBondContact O-OG 3.45Å; A202-F227 HydrophobicContact CB-CE2 4.11Å; A202-F227 HydrophobicContact CB-CZ 3.81Å
203K96.2Very high96.6Very high111 Ų11130.1 Ų30.148%0.48316%0.157SC..Hα-helixtrans-64-34.9177-175175.4179.2177.50112.8M199 A200 F201 F227M199-K203 WeakPolarHBondContact O-CB 3.44Å; M199-K203 PolarHBondContact O-N 3.44Å; A200-K203 PolarHBondContact O-N 2.73Å; F201-K203 VanDerWaalsContact C-N 3.28Å; F201-K203 PolarHBondContact O-N 3.4Å; K203-F227 HydrophobicContact CB-CD2 3.68Å; K203-F227 HydrophobicContact CB-CE2 3.87Å; K203-F227 HydrophobicContact CB-CG 4.35Å; K203-F227 HydrophobicContact CD-CB 4.18Å; K203-F227 HydrophobicContact CD-CD2 4.4Å; K203-F227 HydrophobicContact CD-CG 4.47Å; K203-F227 HydrophobicContact CG-CD2 3.94Å; K203-F227 HydrophobicContact CG-CG 4.48Å
204E96Very high96.4Very high111 Ų11135.7 Ų35.752%0.51918%0.183SC..Hα-helixtrans-78.6-37.5-174.6-176.9176.8-167.500113.5K183 A200 F201 A202K183-E204 VanDerWaalsContact CE-OE1 3.29Å; K183-E204 WeakPolarHBondContact CE-OE1 3.48Å; K183-E204 IonicContact NZ-OE1 3.93Å; K183-E204 PolarHBondContact NZ-OE1 3.32Å; A200-E204 WeakPolarHBondContact O-CB 3.38Å; A200-E204 PolarHBondContact O-N 3.35Å; F201-E204 PolarHBondContact O-N 3.09Å; A202-E204 VanDerWaalsContact C-N 3.29Å; A202-E204 PolarHBondContact O-N 2.7Å
205V97Very high96.3Very high16 Ų1635.7 Ų35.710%0.09718%0.184CC..Hα-helixtrans-109.4-14-168.4-51.50000115.3V32 K183 A186 F201V32-V205 WeakPolarHBondContact CB-O 3.34Å; V32-V205 HydrophobicContact CG1-CG2 4.16Å; V32-V205 WeakPolarHBondContact CG1-O 3.32Å; K183-V205 HydrophobicContact CB-CG1 4.07Å; K183-V205 HydrophobicContact CG-CG1 3.91Å; A186-V205 HydrophobicContact CB-CB 4.25Å; F201-V205 HydrophobicContact CD1-CG2 4.17Å; F201-V205 HydrophobicContact CD2-CG1 3.97Å; F201-V205 HydrophobicContact CD2-CG2 4.36Å; F201-V205 HydrophobicContact CE1-CG2 3.67Å; F201-V205 HydrophobicContact CE2-CB 4.42Å; F201-V205 HydrophobicContact CE2-CG1 3.68Å; F201-V205 HydrophobicContact CE2-CG2 3.91Å; F201-V205 HydrophobicContact CG-CG2 4.49Å; F201-V205 HydrophobicContact CZ-CB 4.44Å; F201-V205 HydrophobicContact CZ-CG1 4.18Å; F201-V205 HydrophobicContact CZ-CG2 3.53Å; F201-V205 WeakPolarHBondContact O-CG2 3.45Å; F201-V205 PolarHBondContact O-N 2.93Å
206S98Very high96.3Very high11 Ų1138.2 Ų38.28%0.07720%0.199CC..  trans-85.6142.3-170.7-47.60000111.7T34 A202 P223T34-S206 WeakPolarHBondContact CB-OG 3.43Å; T34-S206 PolarHBondContact OG1-OG 3.3Å; A202-S206 WeakPolarHBondContact O-CB 3.42Å; A202-S206 PolarHBondContact O-N 3.4Å; A202-S206 PolarHBondContact O-OG 3.45Å; S206-P223 WeakPolarHBondContact O-CG 3.43Å
207D98Very high96.4Very high96 Ų9640 Ų4051%0.51321%0.208SC..SBendtrans-81.7-33.2163.8-60.1-65.2000110.7E31 V32E31-D207 WeakPolarHBondContact CA-OD2 3.42Å; E31-D207 HydrophobicContact CG-CB 3.95Å; V32-D207 PolarHBondContact N-OD2 3.08Å; V32-D207 PolarHBondContact O-N 3.1Å
208R98.2Very high96.6Very high35 Ų3538.7 Ų38.713%0.13221%0.208CC..EExtended strand (participates in β ladder)trans-142.1138.9179.2179165.447.6156.6-6.4111.3N26 E31 V32 V33 T34 I210 G221N26-R208 PolarHBondContact O-NH2 3.02Å; N26-R208 PolarHBondContact OD1-NH1 3.32Å; E31-R208 IonicContact OE1-CZ 3.34Å; E31-R208 VanDerWaalsContact OE1-CZ 3.26Å; E31-R208 IonicContact OE1-NE 2.65Å; E31-R208 PolarHBondContact OE1-NE 3.43Å; E31-R208 IonicContact OE1-NH2 3.26Å; E31-R208 PolarHBondContact OE1-NH2 3.14Å; E31-R208 IonicContact OE2-NH2 2.87Å; E31-R208 PolarHBondContact OE2-NH2 3.33Å; V32-R208 PolarHBondContact O-N 3.39Å; V33-R208 WeakPolarHBondContact CA-O 3.18Å; T34-R208 PolarHBondContact N-O 2.8Å; R208-I210 HydrophobicContact CG-CG1 4.49Å; R208-G221 WeakPolarHBondContact CA-O 3.26Å
209V98.5Very high96.8Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-112.3134.2174.6-177.50000108.9T34 I36 Q220 G221 P223 I226 F227T34-V209 CarbonylContact O-C 3.55Å; T34-V209 WeakPolarHBondContact O-CA 3.4Å; I36-V209 HydrophobicContact CD1-CG1 3.76Å; I36-V209 HydrophobicContact CG1-CG1 3.87Å; V209-Q220 VanDerWaalsContact O-CA 3.23Å; V209-Q220 WeakPolarHBondContact O-CA 3.39Å; V209-G221 PolarHBondContact N-O 3.37Å; V209-G221 PolarHBondContact O-N 3.49Å; V209-P223 HydrophobicContact CG2-CB 3.93Å; V209-P223 HydrophobicContact CG2-CG 4.08Å; V209-I226 HydrophobicContact CB-CB 4.18Å; V209-I226 HydrophobicContact CB-CG1 4.08Å; V209-I226 HydrophobicContact CB-CG2 4.23Å; V209-I226 HydrophobicContact CG1-CB 4.3Å; V209-I226 HydrophobicContact CG1-CG1 4.48Å; V209-I226 HydrophobicContact CG1-CG2 3.79Å; V209-F227 HydrophobicContact CG1-CE2 4.23Å; V209-F227 HydrophobicContact CG1-CZ 4.22Å; V209-F227 HydrophobicContact CG2-CD2 4.45Å; V209-F227 HydrophobicContact CG2-CE2 3.73Å; V209-F227 HydrophobicContact CG2-CZ 4.45Å
210I98.1Very high97Very high1 Ų140.2 Ų40.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-116.5121.8176.8-63.5-178.9000107.6M25 V33 T34 I35 I36 R208 M212 I217 Q220M25-I210 HydrophobicContact CB-CD1 4.5Å; M25-I210 HydrophobicContact CE-CD1 3.59Å; M25-I210 HydrophobicContact SD-CD1 3.43Å; M25-I210 WeakPolarHBondContact SD-CD1 3.21Å; V33-I210 HydrophobicContact CG1-CD1 3.6Å; V33-I210 HydrophobicContact CG1-CG1 3.98Å; T34-I210 PolarHBondContact O-N 3.4Å; I35-I210 CarbonylContact C-O 3.58Å; I35-I210 WeakPolarHBondContact CA-O 3.41Å; I35-I210 HydrophobicContact CG1-CB 4.33Å; I36-I210 PolarHBondContact N-O 3.3Å; R208-I210 HydrophobicContact CG-CG1 4.49Å; I210-M212 HydrophobicContact CG2-CG 4.12Å; I210-I217 HydrophobicContact CD1-CD1 4.4Å; I210-I217 HydrophobicContact CG2-CB 4.31Å; I210-I217 HydrophobicContact CG2-CD1 3.99Å; I210-I217 HydrophobicContact CG2-CG1 3.72Å; I210-I217 HydrophobicContact CG2-CG2 3.86Å; I210-Q220 HydrophobicContact CG1-CB 4.02Å
211F98Very high97.2Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-94.9115.6170175.4-113.3000109.8I36 D213 A218 E219 R234 T235 F238I36-F211 HydrophobicContact CG1-CB 4.28Å; I36-F211 HydrophobicContact CG1-CD2 4.22Å; I36-F211 WeakPolarHBondContact O-CA 3.48Å; F211-D213 HydrophobicContact CE1-CB 3.92Å; F211-D213 HydrophobicContact CZ-CB 3.97Å; F211-A218 HydrophobicContact CD1-CB 3.65Å; F211-A218 HydrophobicContact CE1-CB 3.88Å; F211-A218 PolarHBondContact O-N 3.01Å; F211-E219 HydrophobicContact CB-CB 4.26Å; F211-E219 HydrophobicContact CD1-CB 4.49Å; F211-E219 PolarHBondContact N-O 2.82Å; F211-E219 PolarHBondContact O-N 3.04Å; F211-R234 HydrophobicContact CE1-CB 4.15Å; F211-R234 HydrophobicContact CE1-CG 3.86Å; F211-R234 HydrophobicContact CZ-CG 3.97Å; F211-T235 HydrophobicContact CB-CG2 4.16Å; F211-T235 HydrophobicContact CD1-CG2 4.07Å; F211-T235 WeakPolarHBondContact CD1-OG1 3.49Å; F211-T235 HydrophobicContact CG-CG2 3.99Å; F211-F238 AromaticContact CD2-CD1 3.99Å; F211-F238 HydrophobicContact CD2-CD1 3.99Å; F211-F238 HydrophobicContact CD2-CE1 4.47Å; F211-F238 HydrophobicContact CD2-CG 4.34Å; F211-F238 HydrophobicContact CE2-CB 3.6Å; F211-F238 AromaticContact CE2-CD1 3.59Å; F211-F238 HydrophobicContact CE2-CD1 3.59Å; F211-F238 HydrophobicContact CE2-CD2 4.12Å; F211-F238 HydrophobicContact CE2-CE1 4.3Å; F211-F238 AromaticContact CE2-CG 3.49Å; F211-F238 HydrophobicContact CE2-CG 3.49Å; F211-F238 VanDerWaalsContact CE2-CG 3.49Å; F211-F238 HydrophobicContact CZ-CB 3.81Å; F211-F238 HydrophobicContact CZ-CG 4.19Å
212M97.8Very high97.3Very high1 Ų138.6 Ų38.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-101127.9174.7-72.8-174.666.800111.5L20 I23 I35 I36 G37 S41 K43 F46 I210 V216 I217L20-M212 HydrophobicContact CD2-CE 4.14Å; I23-M212 HydrophobicContact CD1-CE 3.43Å; I23-M212 VanDerWaalsContact CD1-CE 3.43Å; I35-M212 HydrophobicContact CG2-CB 4.38Å; I35-M212 HydrophobicContact CG2-CG 3.76Å; I35-M212 HydrophobicContact CG2-SD 3.48Å; I35-M212 WeakPolarHBondContact CG2-SD 3.39Å; I36-M212 PolarHBondContact O-N 3.09Å; G37-M212 WeakPolarHBondContact CA-O 3.29Å; S41-M212 WeakPolarHBondContact CB-O 3.44Å; S41-M212 PolarHBondContact OG-O 2.92Å; S41-M212 VanDerWaalsContact OG-O 3.09Å; K43-M212 HydrophobicContact CG-CB 4.18Å; K43-M212 HydrophobicContact CG-SD 4.22Å; F46-M212 HydrophobicContact CB-CE 4.27Å; F46-M212 HydrophobicContact CB-SD 4.45Å; F46-M212 HydrophobicContact CD1-SD 4.36Å; I210-M212 HydrophobicContact CG2-CG 4.12Å; M212-V216 VanDerWaalsContact CA-O 3.3Å; M212-V216 WeakPolarHBondContact CA-O 3.2Å; M212-I217 HydrophobicContact CG-CG1 4.46Å
213D96.6Very high97.3Very high20 Ų2038.8 Ų38.811%0.10721%0.206CC..EExtended strand (participates in β ladder)trans-135.7138.2171-165.848.3000109.7F211 G215 V216 A218 R234F211-D213 HydrophobicContact CE1-CB 3.92Å; F211-D213 HydrophobicContact CZ-CB 3.97Å; D213-G215 PolarHBondContact O-N 2.97Å; D213-V216 PolarHBondContact N-O 3.45Å; D213-V216 VanDerWaalsContact N-O 3.15Å; D213-V216 WeakPolarHBondContact O-CG2 3.44Å; D213-V216 PolarHBondContact O-N 3.4Å; D213-A218 HydrophobicContact CB-CB 4.22Å; D213-R234 HydrophobicContact CB-CG 4.2Å; D213-R234 IonicContact OD1-NE 2.9Å; D213-R234 IonicContact OD1-NH2 2.62Å; D213-R234 VanDerWaalsContact OD2-CG 3.27Å; D213-R234 WeakPolarHBondContact OD2-CG 3.36Å; D213-R234 IonicContact OD2-CZ 3.34Å; D213-R234 IonicContact OD2-NE 3.61Å; D213-R234 PolarHBondContact OD2-NE 3.3Å
214Q95.2Very high97.3Very high117 Ų11739.4 Ų39.455%0.54721%0.211SC..THydrogen-bonded Turntrans51.334174.1-61.6-61.4-34.700115.9K21K21-Q214 VanDerWaalsContact CD-O 3.27Å; K21-Q214 WeakPolarHBondContact CD-O 3.46Å; K21-Q214 VanDerWaalsContact CE-O 3.22Å; K21-Q214 WeakPolarHBondContact CE-O 3.27Å; K21-Q214 PolarHBondContact NZ-O 3.03Å
215G96.3Very high97.3Very high1 Ų138.4 Ų38.41%0.0121%0.209CC..THydrogen-bonded Turntrans84.67.2176.700000115.5V19 K21 S41 D213V19-G215 WeakPolarHBondContact O-CA 3.42Å; K21-G215 PolarHBondContact N-O 2.96Å; S41-G215 WeakPolarHBondContact O-CA 3.36Å; S41-G215 PolarHBondContact O-N 3.37Å; S41-G215 VanDerWaalsContact O-N 3.09Å; D213-G215 PolarHBondContact O-N 2.97Å
216V97.2Very high97.3Very high52 Ų5237.7 Ų37.732%0.31521%0.205SC..EExtended strand (participates in β ladder)trans-122.4161.6176-60.90000111.4K21 M212 D213 A218K21-V216 HydrophobicContact CB-CG1 3.83Å; M212-V216 VanDerWaalsContact CA-O 3.3Å; M212-V216 WeakPolarHBondContact CA-O 3.2Å; D213-V216 PolarHBondContact N-O 3.45Å; D213-V216 VanDerWaalsContact N-O 3.15Å; D213-V216 WeakPolarHBondContact O-CG2 3.44Å; D213-V216 PolarHBondContact O-N 3.4Å; V216-A218 PolarHBondContact O-N 3.11Å
217I97.5Very high97.2Very high39 Ų3938.2 Ų38.220%0.221%0.206CC..EExtended strand (participates in β ladder)trans-78.4106.4161.8-65.3175.8000106.8I23 M25 I210 M212 Q220I23-I217 HydrophobicContact CG2-CD1 3.7Å; I23-I217 HydrophobicContact CG2-CG1 3.98Å; M25-I217 HydrophobicContact CB-CD1 4.01Å; M25-I217 HydrophobicContact CG-CD1 4.36Å; M25-I217 HydrophobicContact SD-CD1 4.44Å; I210-I217 HydrophobicContact CD1-CD1 4.4Å; I210-I217 HydrophobicContact CG2-CB 4.31Å; I210-I217 HydrophobicContact CG2-CD1 3.99Å; I210-I217 HydrophobicContact CG2-CG1 3.72Å; I210-I217 HydrophobicContact CG2-CG2 3.86Å; M212-I217 HydrophobicContact CG-CG1 4.46Å; I217-Q220 HydrophobicContact CG2-CB 4.2Å; I217-Q220 HydrophobicContact CG2-CG 4.32Å
218A97Very high97Very high36 Ų3636.5 Ų36.530%0.29821%0.21SC..EExtended strand (participates in β ladder)trans-82.2-37.9-179.700000111.2F211 D213 V216F211-A218 HydrophobicContact CD1-CB 3.65Å; F211-A218 HydrophobicContact CE1-CB 3.88Å; F211-A218 PolarHBondContact O-N 3.01Å; D213-A218 HydrophobicContact CB-CB 4.22Å; V216-A218 PolarHBondContact O-N 3.11Å
219E98Very high96.9Very high18 Ų1840.3 Ų40.38%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-148.9149175.9-161174.6165.600110.1F211 I226 K231 E232 T235F211-E219 HydrophobicContact CB-CB 4.26Å; F211-E219 HydrophobicContact CD1-CB 4.49Å; F211-E219 PolarHBondContact N-O 2.82Å; F211-E219 PolarHBondContact O-N 3.04Å; E219-I226 HydrophobicContact CB-CD1 4.25Å; E219-I226 HydrophobicContact CG-CD1 3.62Å; E219-K231 PolarHBondContact OE1-N 3.43Å; E219-K231 PolarHBondContact OE2-N 2.91Å; E219-E232 HydrophobicContact CB-CB 4.46Å; E219-E232 HydrophobicContact CB-CG 3.92Å; E219-E232 HydrophobicContact CG-CG 4.01Å; E219-E232 WeakPolarHBondContact OE2-CB 3.47Å; E219-E232 PolarHBondContact OE2-N 2.96Å; E219-T235 WeakPolarHBondContact CB-OG1 3.46Å; E219-T235 WeakPolarHBondContact OE2-CB 3.22Å; E219-T235 WeakPolarHBondContact OE2-CG2 3.28Å; E219-T235 PolarHBondContact OE2-OG1 3.49Å
220Q97.6Very high96.8Very high91 Ų9141.2 Ų41.243%0.42524%0.239SC..EExtended strand (participates in β ladder)trans-148.7149.3170.961172.9-12.900110.8V209 I210 I217V209-Q220 VanDerWaalsContact O-CA 3.23Å; V209-Q220 WeakPolarHBondContact O-CA 3.39Å; I210-Q220 HydrophobicContact CG1-CB 4.02Å; I217-Q220 HydrophobicContact CG2-CB 4.2Å; I217-Q220 HydrophobicContact CG2-CG 4.32Å
221G97.7Very high96.7Very high20 Ų2048.7 Ų48.721%0.20627%0.272CS..EExtended strand (participates in β ladder)trans174.9-173.5-178.800000113R208 V209R208-G221 WeakPolarHBondContact CA-O 3.26Å; V209-G221 PolarHBondContact N-O 3.37Å; V209-G221 PolarHBondContact O-N 3.49Å
222A97.4Very high96.7Very high34 Ų3453.3 Ų53.328%0.28129%0.293SS..  trans-62151171.300000110.1E224 D225 I226A222-E224 PolarHBondContact O-N 2.86Å; A222-D225 PolarHBondContact O-N 3.24Å; A222-D225 VanDerWaalsContact O-N 3.11Å; A222-I226 PolarHBondContact O-N 3.06Å
223P97.4Very high96.6Very high4 Ų457 Ų573%0.02632%0.323CS..Hα-helixtrans-57.2-37.9179.2-15.623.3000112.8S206 V209 D225 I226 F227S206-P223 WeakPolarHBondContact O-CG 3.43Å; V209-P223 HydrophobicContact CG2-CB 3.93Å; V209-P223 HydrophobicContact CG2-CG 4.08Å; P223-D225 VanDerWaalsContact C-N 3.29Å; P223-D225 PolarHBondContact O-N 3.41Å; P223-I226 PolarHBondContact O-N 3.32Å; P223-F227 HydrophobicContact CB-CD2 4.13Å; P223-F227 HydrophobicContact CB-CE2 4.42Å; P223-F227 WeakPolarHBondContact O-CB 3.38Å; P223-F227 VanDerWaalsContact O-CD2 3.24Å; P223-F227 WeakPolarHBondContact O-CD2 3.27Å; P223-F227 PolarHBondContact O-N 2.83Å
224E95.8Very high96.6Very high124 Ų12460 Ų6058%0.57933%0.333SS*.Hα-helixtrans-62.5-38.8178.4-60.876.3-166.100111.6A222 G228A222-E224 PolarHBondContact O-N 2.86Å; E224-G228 VanDerWaalsContact O-CA 3.23Å; E224-G228 WeakPolarHBondContact O-CA 3.46Å; E224-G228 PolarHBondContact O-N 3.43Å
225D96.6Very high96.6Very high90 Ų9054.4 Ų54.448%0.48131%0.307SS..Hα-helixtrans-71.3-51.1177.7-67.7-33.9000110.7A222 P223 N229A222-D225 PolarHBondContact O-N 3.24Å; A222-D225 VanDerWaalsContact O-N 3.11Å; P223-D225 VanDerWaalsContact C-N 3.29Å; P223-D225 PolarHBondContact O-N 3.41Å; D225-N229 CarbonylContact O-C 3.56Å; D225-N229 WeakPolarHBondContact O-CA 3.37Å; D225-N229 PolarHBondContact O-N 2.8Å
226I97.4Very high96.6Very high1 Ų159.3 Ų59.31%0.00533%0.328CS..Hα-helixtrans-65.6-45.2-175.7-65-63.5000111.6I36 V209 E219 A222 P223 P230 T235 L239I36-I226 HydrophobicContact CD1-CG2 4.27Å; V209-I226 HydrophobicContact CB-CB 4.18Å; V209-I226 HydrophobicContact CB-CG1 4.08Å; V209-I226 HydrophobicContact CB-CG2 4.23Å; V209-I226 HydrophobicContact CG1-CB 4.3Å; V209-I226 HydrophobicContact CG1-CG1 4.48Å; V209-I226 HydrophobicContact CG1-CG2 3.79Å; E219-I226 HydrophobicContact CB-CD1 4.25Å; E219-I226 HydrophobicContact CG-CD1 3.62Å; A222-I226 PolarHBondContact O-N 3.06Å; P223-I226 PolarHBondContact O-N 3.32Å; I226-P230 WeakPolarHBondContact O-CB 3.13Å; I226-P230 WeakPolarHBondContact O-CD 3.38Å; I226-T235 HydrophobicContact CG2-CG2 4.37Å; I226-L239 HydrophobicContact CG2-CD1 4.43Å; I226-L239 WeakPolarHBondContact O-CD1 3.18Å
227F95.6Very high96.5Very high23 Ų2360.3 Ų60.310%0.10133%0.329CS..Hα-helixtrans-85.7-23.3-177.8-66.9-67.1000113.7I36 M199 A202 K203 V209 P223 L239I36-F227 HydrophobicContact CD1-CE1 4.05Å; I36-F227 HydrophobicContact CD1-CZ 4.16Å; M199-F227 HydrophobicContact CB-CE1 3.99Å; M199-F227 HydrophobicContact CB-CZ 4.5Å; M199-F227 HydrophobicContact CG-CE1 4.28Å; M199-F227 HydrophobicContact SD-CE1 3.66Å; M199-F227 HydrophobicContact SD-CZ 4.16Å; A202-F227 HydrophobicContact CB-CE2 4.11Å; A202-F227 HydrophobicContact CB-CZ 3.81Å; K203-F227 HydrophobicContact CB-CD2 3.68Å; K203-F227 HydrophobicContact CB-CE2 3.87Å; K203-F227 HydrophobicContact CB-CG 4.35Å; K203-F227 HydrophobicContact CD-CB 4.18Å; K203-F227 HydrophobicContact CD-CD2 4.4Å; K203-F227 HydrophobicContact CD-CG 4.47Å; K203-F227 HydrophobicContact CG-CD2 3.94Å; K203-F227 HydrophobicContact CG-CG 4.48Å; V209-F227 HydrophobicContact CG1-CE2 4.23Å; V209-F227 HydrophobicContact CG1-CZ 4.22Å; V209-F227 HydrophobicContact CG2-CD2 4.45Å; V209-F227 HydrophobicContact CG2-CE2 3.73Å; V209-F227 HydrophobicContact CG2-CZ 4.45Å; P223-F227 HydrophobicContact CB-CD2 4.13Å; P223-F227 HydrophobicContact CB-CE2 4.42Å; P223-F227 WeakPolarHBondContact O-CB 3.38Å; P223-F227 VanDerWaalsContact O-CD2 3.24Å; P223-F227 WeakPolarHBondContact O-CD2 3.27Å; P223-F227 PolarHBondContact O-N 2.83Å; F227-L239 HydrophobicContact CD1-CD1 4.39Å; F227-L239 HydrophobicContact CD1-CD2 3.75Å; F227-L239 HydrophobicContact CE1-CD2 3.73Å
228G93.5Very high96.4Very high59 Ų5959.4 Ų59.461%0.60832%0.324SS*.Hα-helixtrans-96.8-41.9-177.100000113.9E224E224-G228 VanDerWaalsContact O-CA 3.23Å; E224-G228 WeakPolarHBondContact O-CA 3.46Å; E224-G228 PolarHBondContact O-N 3.43Å
229N94.9Very high96.3Very high116 Ų11658 Ų5862%0.6231%0.311SS*.SBendtrans-145.362.1-176.9-171.134.2000111.9D225 K231D225-N229 CarbonylContact O-C 3.56Å; D225-N229 WeakPolarHBondContact O-CA 3.37Å; D225-N229 PolarHBondContact O-N 2.8Å; N229-K231 PolarHBondContact O-N 3.15Å
230P96.3Very high96Very high18 Ų1862.1 Ų62.112%0.11733%0.331CS..  trans-57.4141177.524.7-34.4000110.3I226 T235 K236 L239I226-P230 WeakPolarHBondContact O-CB 3.13Å; I226-P230 WeakPolarHBondContact O-CD 3.38Å; P230-T235 HydrophobicContact CB-CG2 3.72Å; P230-K236 HydrophobicContact CB-CG 4.16Å; P230-K236 HydrophobicContact CG-CG 3.66Å; P230-K236 WeakPolarHBondContact O-CE 3.23Å; P230-L239 HydrophobicContact CB-CD1 4.22Å; P230-L239 HydrophobicContact CG-CD1 4.06Å
231K96.8Very high95.6Very high159 Ų15965.2 Ų65.269%0.69134%0.339SS*.  trans-88.9-41.5-177.3-64.9177.4-175.2170.60111.3E219 N229E219-K231 PolarHBondContact OE1-N 3.43Å; E219-K231 PolarHBondContact OE2-N 2.91Å; N229-K231 PolarHBondContact O-N 3.15Å
232E97.3Very high95.2Very high97 Ų9766.7 Ų66.745%0.45334%0.343SS..SBendtrans-80.1138.9-173.6-59.6-56.4140.300112E219 R234 T235 K236E219-E232 HydrophobicContact CB-CB 4.46Å; E219-E232 HydrophobicContact CB-CG 3.92Å; E219-E232 HydrophobicContact CG-CG 4.01Å; E219-E232 WeakPolarHBondContact OE2-CB 3.47Å; E219-E232 PolarHBondContact OE2-N 2.96Å; E232-R234 PolarHBondContact O-N 3.32Å; E232-T235 WeakPolarHBondContact CB-OG1 3.38Å; E232-T235 PolarHBondContact O-N 3.3Å; E232-K236 WeakPolarHBondContact O-CG 3.29Å; E232-K236 PolarHBondContact O-N 3.13Å
233A96.4Very high94.6Very high77 Ų7768.9 Ų68.964%0.63635%0.35SS*.Hα-helixtrans-57.9-36.9179.600000111.9K236 E237A233-K236 WeakPolarHBondContact O-CB 3.44Å; A233-E237 WeakPolarHBondContact O-CB 3.35Å; A233-E237 PolarHBondContact O-N 3.07Å
234R95.9Very high93.9Very high83 Ų8373.7 Ų73.731%0.31337%0.372SS..Hα-helixtrans-72.5-38.4-179.4-170.359175.8159.36.6112.8F211 D213 E232 E237 F238F211-R234 HydrophobicContact CE1-CB 4.15Å; F211-R234 HydrophobicContact CE1-CG 3.86Å; F211-R234 HydrophobicContact CZ-CG 3.97Å; D213-R234 HydrophobicContact CB-CG 4.2Å; D213-R234 IonicContact OD1-NE 2.9Å; D213-R234 IonicContact OD1-NH2 2.62Å; D213-R234 VanDerWaalsContact OD2-CG 3.27Å; D213-R234 WeakPolarHBondContact OD2-CG 3.36Å; D213-R234 IonicContact OD2-CZ 3.34Å; D213-R234 IonicContact OD2-NE 3.61Å; D213-R234 PolarHBondContact OD2-NE 3.3Å; E232-R234 PolarHBondContact O-N 3.32Å; R234-E237 IonicContact CZ-OE2 3.57Å; R234-E237 IonicContact NH1-OE1 3.88Å; R234-E237 PolarHBondContact NH1-OE1 2.97Å; R234-E237 IonicContact NH1-OE2 2.92Å; R234-E237 PolarHBondContact NH1-OE2 3.45Å; R234-E237 PolarHBondContact O-N 3.37Å; R234-F238 WeakPolarHBondContact O-CB 3.18Å; R234-F238 PolarHBondContact O-N 3.31Å
235T96.2Very high92.6Very high0 Ų072.9 Ų72.90%038%0.377CS..Hα-helixtrans-63.3-45.1173.6-46.60000110.4F211 E219 I226 P230 E232 E237 F238 L239F211-T235 HydrophobicContact CB-CG2 4.16Å; F211-T235 HydrophobicContact CD1-CG2 4.07Å; F211-T235 WeakPolarHBondContact CD1-OG1 3.49Å; F211-T235 HydrophobicContact CG-CG2 3.99Å; E219-T235 WeakPolarHBondContact CB-OG1 3.46Å; E219-T235 WeakPolarHBondContact OE2-CB 3.22Å; E219-T235 WeakPolarHBondContact OE2-CG2 3.28Å; E219-T235 PolarHBondContact OE2-OG1 3.49Å; I226-T235 HydrophobicContact CG2-CG2 4.37Å; P230-T235 HydrophobicContact CB-CG2 3.72Å; E232-T235 WeakPolarHBondContact CB-OG1 3.38Å; E232-T235 PolarHBondContact O-N 3.3Å; T235-E237 PolarHBondContact O-N 3.5Å; T235-F238 PolarHBondContact O-N 2.91Å; T235-L239 HydrophobicContact CG2-CD1 3.91Å; T235-L239 HydrophobicContact CG2-CG 4.34Å; T235-L239 WeakPolarHBondContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CG 3.34Å; T235-L239 PolarHBondContact O-N 3.21Å
236K96.3Very high90.8Very high105 Ų10578 Ų7846%0.45740%0.398SS..Hα-helixtrans-54.6-50.5173.6-73.3169.8-172.5175.60111.8P230 E232 A233 L239 H240P230-K236 HydrophobicContact CB-CG 4.16Å; P230-K236 HydrophobicContact CG-CG 3.66Å; P230-K236 WeakPolarHBondContact O-CE 3.23Å; E232-K236 WeakPolarHBondContact O-CG 3.29Å; E232-K236 PolarHBondContact O-N 3.13Å; A233-K236 WeakPolarHBondContact O-CB 3.44Å; K236-L239 PolarHBondContact O-N 3.45Å; K236-H240 VanDerWaalsContact O-CB 3.28Å; K236-H240 WeakPolarHBondContact O-CB 3.4Å; K236-H240 PolarHBondContact O-N 3.07Å
237E95Very high88.4Confident72 Ų7284.1 Ų84.134%0.33645%0.449SS..Hα-helixtrans-61.2-46.1-179.7-171.7-167.7172.100111.8A233 R234 T235 R241A233-E237 WeakPolarHBondContact O-CB 3.35Å; A233-E237 PolarHBondContact O-N 3.07Å; R234-E237 IonicContact CZ-OE2 3.57Å; R234-E237 IonicContact NH1-OE1 3.88Å; R234-E237 PolarHBondContact NH1-OE1 2.97Å; R234-E237 IonicContact NH1-OE2 2.92Å; R234-E237 PolarHBondContact NH1-OE2 3.45Å; R234-E237 PolarHBondContact O-N 3.37Å; T235-E237 PolarHBondContact O-N 3.5Å; E237-R241 WeakPolarHBondContact O-CG 3.49Å; E237-R241 PolarHBondContact O-N 3.21Å; E237-R241 IonicContact OE1-CZ 3.48Å; E237-R241 IonicContact OE1-NE 3.74Å; E237-R241 IonicContact OE1-NH2 3.57Å; E237-R241 PolarHBondContact OE1-NH2 2.89Å
238F95Very high88Confident20 Ų2087.2 Ų87.29%0.08847%0.467CS..Hα-helixtrans-61.5-51.5178.2172.9-99000111.5I36 M199 F211 R234 T235 H240 R241 V242I36-F238 HydrophobicContact CB-CE1 4.3Å; I36-F238 HydrophobicContact CD1-CE1 4.24Å; M199-F238 HydrophobicContact CE-CE1 4.34Å; M199-F238 HydrophobicContact CE-CZ 4.38Å; M199-F238 HydrophobicContact SD-CE1 4.35Å; F211-F238 AromaticContact CD2-CD1 3.99Å; F211-F238 HydrophobicContact CD2-CD1 3.99Å; F211-F238 HydrophobicContact CD2-CE1 4.47Å; F211-F238 HydrophobicContact CD2-CG 4.34Å; F211-F238 HydrophobicContact CE2-CB 3.6Å; F211-F238 AromaticContact CE2-CD1 3.59Å; F211-F238 HydrophobicContact CE2-CD1 3.59Å; F211-F238 HydrophobicContact CE2-CD2 4.12Å; F211-F238 HydrophobicContact CE2-CE1 4.3Å; F211-F238 AromaticContact CE2-CG 3.49Å; F211-F238 HydrophobicContact CE2-CG 3.49Å; F211-F238 VanDerWaalsContact CE2-CG 3.49Å; F211-F238 HydrophobicContact CZ-CB 3.81Å; F211-F238 HydrophobicContact CZ-CG 4.19Å; R234-F238 WeakPolarHBondContact O-CB 3.18Å; R234-F238 PolarHBondContact O-N 3.31Å; T235-F238 PolarHBondContact O-N 2.91Å; F238-H240 VanDerWaalsContact C-N 3.33Å; F238-H240 PolarHBondContact O-N 3.38Å; F238-R241 PolarHBondContact O-N 3.25Å; F238-V242 HydrophobicContact CD1-CG2 4.49Å; F238-V242 HydrophobicContact CD2-CG2 4.28Å; F238-V242 HydrophobicContact CE1-CG2 4.08Å; F238-V242 HydrophobicContact CE2-CG2 3.86Å; F238-V242 HydrophobicContact CZ-CG2 3.75Å; F238-V242 WeakPolarHBondContact O-CG2 3.35Å; F238-V242 PolarHBondContact O-N 3.23Å; F238-V242 VanDerWaalsContact O-N 3.11Å
239L94.4Very high87.7Confident6 Ų688.7 Ų88.73%0.03146%0.459CS..Hα-helixtrans-63.8-38.9-178.4-70.5176.9000111.8I36 M199 I226 F227 P230 T235 K236 R241 V242 L243I36-L239 HydrophobicContact CD1-CD2 4.07Å; M199-L239 HydrophobicContact SD-CD2 4.28Å; I226-L239 HydrophobicContact CG2-CD1 4.43Å; I226-L239 WeakPolarHBondContact O-CD1 3.18Å; F227-L239 HydrophobicContact CD1-CD1 4.39Å; F227-L239 HydrophobicContact CD1-CD2 3.75Å; F227-L239 HydrophobicContact CE1-CD2 3.73Å; P230-L239 HydrophobicContact CB-CD1 4.22Å; P230-L239 HydrophobicContact CG-CD1 4.06Å; T235-L239 HydrophobicContact CG2-CD1 3.91Å; T235-L239 HydrophobicContact CG2-CG 4.34Å; T235-L239 WeakPolarHBondContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CG 3.34Å; T235-L239 PolarHBondContact O-N 3.21Å; K236-L239 PolarHBondContact O-N 3.45Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 2.9Å; L239-V242 PolarHBondContact O-N 3.27Å; L239-L243 HydrophobicContact CB-CD1 4.29Å; L239-L243 VanDerWaalsContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CB 3.15Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 2.77Å; L239-L243 PolarHBondContact O-N 2.9Å
240H92.4Very high87.3Confident106 Ų10687.2 Ų87.249%0.49145%0.45SS..Hα-helixtrans-57.3-46.4175.2-176.4-80.8000111.6K236 F238 V242 H244K236-H240 VanDerWaalsContact O-CB 3.28Å; K236-H240 WeakPolarHBondContact O-CB 3.4Å; K236-H240 PolarHBondContact O-N 3.07Å; F238-H240 VanDerWaalsContact C-N 3.33Å; F238-H240 PolarHBondContact O-N 3.38Å; H240-V242 PolarHBondContact O-N 3.06Å; H240-H244 AromaticContact CD2-CD2 3.99Å; H240-H244 WeakPolarHBondContact O-CA 3.43Å; H240-H244 WeakPolarHBondContact O-CB 3.27Å; H240-H244 PolarHBondContact O-N 3.28Å
241R90.2Very high86.8Confident156 Ų15691.2 Ų91.259%0.58947%0.47SS*.Hα-helixtrans-65.3-37.2179.1-68.1176.3-173.6-155.41.5112.9E237 F238 L239E237-R241 WeakPolarHBondContact O-CG 3.49Å; E237-R241 PolarHBondContact O-N 3.21Å; E237-R241 IonicContact OE1-CZ 3.48Å; E237-R241 IonicContact OE1-NE 3.74Å; E237-R241 IonicContact OE1-NH2 3.57Å; E237-R241 PolarHBondContact OE1-NH2 2.89Å; F238-R241 PolarHBondContact O-N 3.25Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 2.9Å
242V87.6Confident86.2Confident50 Ų5087 Ų8730%0.30346%0.456SS..Hα-helixtrans-81-37.7-176.1178.30000112M199 F238 L239 H240M199-V242 HydrophobicContact CE-CG1 4.26Å; M199-V242 HydrophobicContact CG-CB 4.46Å; M199-V242 HydrophobicContact CG-CG1 3.46Å; M199-V242 VanDerWaalsContact CG-CG1 3.46Å; M199-V242 HydrophobicContact SD-CG1 4.29Å; F238-V242 HydrophobicContact CD1-CG2 4.49Å; F238-V242 HydrophobicContact CD2-CG2 4.28Å; F238-V242 HydrophobicContact CE1-CG2 4.08Å; F238-V242 HydrophobicContact CE2-CG2 3.86Å; F238-V242 HydrophobicContact CZ-CG2 3.75Å; F238-V242 WeakPolarHBondContact O-CG2 3.35Å; F238-V242 PolarHBondContact O-N 3.23Å; F238-V242 VanDerWaalsContact O-N 3.11Å; L239-V242 PolarHBondContact O-N 3.27Å; H240-V242 PolarHBondContact O-N 3.06Å
243L85.3Confident85.4Confident80 Ų8086.3 Ų86.342%0.41946%0.456SS..Hα-helixtrans-83.3-22.2-179.6-61.6174.6000112.6M199 L239 P245M199-L243 HydrophobicContact CB-CD2 4.01Å; M199-L243 HydrophobicContact CG-CD2 4.31Å; L239-L243 HydrophobicContact CB-CD1 4.29Å; L239-L243 VanDerWaalsContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CB 3.15Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 2.77Å; L239-L243 PolarHBondContact O-N 2.9Å; L243-P245 VanDerWaalsContact C-CD 3.42Å
244H83.4Confident84.7Confident106 Ų10687 Ų8749%0.49144%0.443SS..  trans-127.664.6177.9-50.8-59.1000111.6H240 Q246 A247H240-H244 AromaticContact CD2-CD2 3.99Å; H240-H244 WeakPolarHBondContact O-CA 3.43Å; H240-H244 WeakPolarHBondContact O-CB 3.27Å; H240-H244 PolarHBondContact O-N 3.28Å; H244-Q246 PolarHBondContact O-N 3.11Å; H244-A247 HydrophobicContact CB-CB 4.15Å; H244-A247 PolarHBondContact O-N 3.13Å
245P68.9Low83.8Confident107 Ų10787.3 Ų87.370%0.69545%0.453SS*.THydrogen-bonded Turntrans-67.4-5.3-175.126.4-33.9000114.6L243L243-P245 VanDerWaalsContact C-CD 3.42Å
246Q57.3Low82.8Confident197 Ų19794.6 Ų94.692%0.92149%0.491SS*.THydrogen-bonded Turntrans-107.67.7179.1-61.4-172.31.400113.8H244H244-Q246 PolarHBondContact O-N 3.11Å
247A47.7Very low81.5Confident130 Ų13093.6 Ų93.6100%1.07449%0.494SS*.  trans-87.60178.300000112.9H244H244-A247 HydrophobicContact CB-CB 4.15Å; H244-A247 PolarHBondContact O-N 3.13Å

Retrieved 247 of 247 residues in 158.6 ms (Link to these results)

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