A0A3Q0KK41_SCHMA Loading...

ADP-ribosylation factor-like protein 6

AlphaFold DB , UniProt , Accession A0A3Q0KK41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M73Confident68.7Low195 Ų195125.1 Ų125.196%0.96159%0.59SS**  0-57.50-147.6170.7-74.600111L3 F4 E5M1-L3 PolarHBondContact O-N 3.22Å; M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 3Å; M1-E5 PolarHBondContact O-N 3.29Å
2W76.3Confident67.9Low197 Ų197118.4 Ų118.475%0.74658%0.579SS**Hα-helixtrans-54.5-41.4176177.855.9000115.2F4 E5 I6W2-F4 VanDerWaalsContact C-N 3.27Å; W2-F4 PolarHBondContact O-N 2.89Å; W2-E5 PolarHBondContact O-N 3.44Å; W2-I6 HydrophobicContact CD2-CD1 3.66Å; W2-I6 HydrophobicContact CE3-CD1 4.15Å; W2-I6 HydrophobicContact CG-CD1 4.17Å; W2-I6 HydrophobicContact CH2-CD1 4Å; W2-I6 HydrophobicContact CZ2-CD1 3.5Å; W2-I6 HydrophobicContact CZ3-CD1 4.3Å; W2-I6 WeakPolarHBondContact O-CG1 3.15Å; W2-I6 PolarHBondContact O-N 3.33Å
3L73.2Confident67.2Low115 Ų115112.5 Ų112.560%0.60255%0.549SS*.Hα-helixtrans-60.1-37175.3-178.862.6000112.4M1 I6 I7M1-L3 PolarHBondContact O-N 3.22Å; L3-I6 PolarHBondContact O-N 3.38Å; L3-I7 HydrophobicContact CD1-CD1 4.08Å; L3-I7 HydrophobicContact CD1-CG1 4.33Å; L3-I7 HydrophobicContact CD2-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 3.82Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.37Å; L3-I7 WeakPolarHBondContact O-CD1 3.44Å; L3-I7 WeakPolarHBondContact O-CG1 3.36Å; L3-I7 PolarHBondContact O-N 3.42Å
4F73Confident66.6Low153 Ų153110.3 Ų110.367%0.67154%0.54SS*.Hα-helixtrans-69.2-37.9177.6179.9-94.8000111.5M1 W2 I7 S8M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 3Å; W2-F4 VanDerWaalsContact C-N 3.27Å; W2-F4 PolarHBondContact O-N 2.89Å; F4-I7 PolarHBondContact O-N 2.95Å; F4-S8 VanDerWaalsContact O-CB 3.22Å; F4-S8 WeakPolarHBondContact O-CB 3.22Å; F4-S8 PolarHBondContact O-N 3.11Å
5E72.4Confident66.1Low107 Ų107112.6 Ų112.650%0.555%0.546SS..Hα-helixtrans-65.2-41.1173.5-67.7175178.500112M1 W2 S8 K9M1-E5 PolarHBondContact O-N 3.29Å; W2-E5 PolarHBondContact O-N 3.44Å; E5-S8 PolarHBondContact O-N 2.91Å; E5-K9 WeakPolarHBondContact O-CB 3.2Å; E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.19Å
6I71.1Confident66.6Low57 Ų57109.1 Ų109.129%0.29253%0.527SS..Hα-helixtrans-60.1-50.4173.2-68.9166000109.8W2 L3 S8 K9 M10W2-I6 HydrophobicContact CD2-CD1 3.66Å; W2-I6 HydrophobicContact CE3-CD1 4.15Å; W2-I6 HydrophobicContact CG-CD1 4.17Å; W2-I6 HydrophobicContact CH2-CD1 4Å; W2-I6 HydrophobicContact CZ2-CD1 3.5Å; W2-I6 HydrophobicContact CZ3-CD1 4.3Å; W2-I6 WeakPolarHBondContact O-CG1 3.15Å; W2-I6 PolarHBondContact O-N 3.33Å; L3-I6 PolarHBondContact O-N 3.38Å; I6-S8 PolarHBondContact O-N 3.19Å; I6-K9 PolarHBondContact O-N 3Å; I6-M10 HydrophobicContact CG2-CG 4.33Å; I6-M10 HydrophobicContact CG2-SD 3.77Å; I6-M10 WeakPolarHBondContact O-CB 3.49Å; I6-M10 WeakPolarHBondContact O-CG 3.45Å; I6-M10 PolarHBondContact O-N 3.5Å
7I68.1Low67.9Low91 Ų91108.1 Ų108.147%0.46752%0.521SS..Hα-helixtrans-62.9-41.8-179.7-68.5166.5000110.9L3 F4 M10 F11L3-I7 HydrophobicContact CD1-CD1 4.08Å; L3-I7 HydrophobicContact CD1-CG1 4.33Å; L3-I7 HydrophobicContact CD2-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 3.82Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.37Å; L3-I7 WeakPolarHBondContact O-CD1 3.44Å; L3-I7 WeakPolarHBondContact O-CG1 3.36Å; L3-I7 PolarHBondContact O-N 3.42Å; F4-I7 PolarHBondContact O-N 2.95Å; I7-M10 PolarHBondContact O-N 3.27Å; I7-F11 WeakPolarHBondContact O-CB 3.44Å; I7-F11 PolarHBondContact O-N 3.32Å
8S65.6Low69.4Low66 Ų66102.1 Ų102.146%0.46249%0.492SS..Hα-helixtrans-66.9-44.5179.4-175.50000111.8F4 E5 I6 M10 F11 G12F4-S8 VanDerWaalsContact O-CB 3.22Å; F4-S8 WeakPolarHBondContact O-CB 3.22Å; F4-S8 PolarHBondContact O-N 3.11Å; E5-S8 PolarHBondContact O-N 2.91Å; I6-S8 PolarHBondContact O-N 3.19Å; S8-M10 PolarHBondContact O-N 3.38Å; S8-F11 PolarHBondContact O-N 2.97Å; S8-G12 PolarHBondContact O-N 3.44Å
9K63.2Low70.8Confident167 Ų167100.4 Ų100.473%0.72648%0.482SS*.Hα-helixtrans-60.6-44.8172.5-76.6-176.4178-1750111.3E5 I6 F13E5-K9 WeakPolarHBondContact O-CB 3.2Å; E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.19Å; I6-K9 PolarHBondContact O-N 3Å; K9-F13 WeakPolarHBondContact O-CB 3.21Å; K9-F13 PolarHBondContact O-N 3.44Å
10M59.4Low72.2Confident111 Ų11195.4 Ų95.455%0.54746%0.458SS..Hα-helixtrans-61.4-44.8175-74.7179.167.800111.5I6 I7 S8 F13 L14I6-M10 HydrophobicContact CG2-CG 4.33Å; I6-M10 HydrophobicContact CG2-SD 3.77Å; I6-M10 WeakPolarHBondContact O-CB 3.49Å; I6-M10 WeakPolarHBondContact O-CG 3.45Å; I6-M10 PolarHBondContact O-N 3.5Å; I7-M10 PolarHBondContact O-N 3.27Å; S8-M10 PolarHBondContact O-N 3.38Å; M10-F13 WeakPolarHBondContact O-CB 3.28Å; M10-F13 PolarHBondContact O-N 2.96Å; M10-L14 WeakPolarHBondContact O-CB 3.32Å; M10-L14 WeakPolarHBondContact O-CG 3.12Å; M10-L14 PolarHBondContact O-N 2.82Å
11F60.1Low73.5Confident117 Ų11790.9 Ų90.951%0.51344%0.437SS..Hα-helixtrans-70.5-41.7-177.1-167.7-97.2000112.6I7 S8 F13 L14 K15I7-F11 WeakPolarHBondContact O-CB 3.44Å; I7-F11 PolarHBondContact O-N 3.32Å; S8-F11 PolarHBondContact O-N 2.97Å; F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 PolarHBondContact O-N 3.43Å; F11-L14 PolarHBondContact O-N 3.27Å; F11-K15 HydrophobicContact CE1-CD 3.98Å; F11-K15 HydrophobicContact CZ-CD 4.35Å; F11-K15 VanDerWaalsContact CZ-CE 3.48Å; F11-K15 PolarHBondContact O-N 3.5Å
12G59.6Low74.7Confident45 Ų4581.6 Ų81.646%0.46439%0.391SS..Hα-helixtrans-61.7-39.9171.700000111.6S8 K15 K16S8-G12 PolarHBondContact O-N 3.44Å; G12-K15 CarbonylContact O-C 3.53Å; G12-K15 PolarHBondContact O-N 3.38Å; G12-K16 PolarHBondContact O-N 2.86Å; G12-K16 VanDerWaalsContact O-N 3.11Å
13F58.4Low75.8Confident42 Ų4272.2 Ų72.218%0.18436%0.355CS..Hα-helixtrans-65.3-43.5175.5-178.8-93.3000112.8K9 M10 F11 K15 K16 Q62 M63 K182K9-F13 WeakPolarHBondContact O-CB 3.21Å; K9-F13 PolarHBondContact O-N 3.44Å; M10-F13 WeakPolarHBondContact O-CB 3.28Å; M10-F13 PolarHBondContact O-N 2.96Å; F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 PolarHBondContact O-N 3.43Å; F13-K15 PolarHBondContact O-N 2.78Å; F13-K15 VanDerWaalsContact O-N 3.14Å; F13-K16 WeakPolarHBondContact O-CB 3.38Å; F13-K16 PolarHBondContact O-N 3.45Å; F13-K16 VanDerWaalsContact O-N 3.07Å; F13-Q62 HydrophobicContact CE1-CB 4.22Å; F13-M63 HydrophobicContact CD2-CE 4.46Å; F13-M63 HydrophobicContact CE1-CE 4.47Å; F13-M63 HydrophobicContact CE2-CE 3.33Å; F13-M63 HydrophobicContact CZ-CE 3.33Å; F13-M63 HydrophobicContact CZ-CG 4.46Å; F13-K182 HydrophobicContact CE2-CB 4.46Å; F13-K182 HydrophobicContact CE2-CG 4.11Å; F13-K182 HydrophobicContact CZ-CB 4.32Å; F13-K182 HydrophobicContact CZ-CD 4.24Å; F13-K182 HydrophobicContact CZ-CG 3.85Å
14L58.4Low77Confident81 Ų8166.7 Ų66.742%0.42433%0.327SS..Hα-helixtrans-60.6-21.1176-72.8170.4000113.1M10 F11 Q62M10-L14 WeakPolarHBondContact O-CB 3.32Å; M10-L14 WeakPolarHBondContact O-CG 3.12Å; M10-L14 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 3.27Å; L14-Q62 HydrophobicContact CD2-CB 4.16Å; L14-Q62 HydrophobicContact CD2-CG 4.2Å
15K60.3Low78.3Confident145 Ų14559.7 Ų59.763%0.6330%0.296SS*.THydrogen-bonded Turntrans-107.75.3177.4-67.7-170177-173.70113.9F11 G12 F13 E17F11-K15 HydrophobicContact CE1-CD 3.98Å; F11-K15 HydrophobicContact CZ-CD 4.35Å; F11-K15 VanDerWaalsContact CZ-CE 3.48Å; F11-K15 PolarHBondContact O-N 3.5Å; G12-K15 CarbonylContact O-C 3.53Å; G12-K15 PolarHBondContact O-N 3.38Å; F13-K15 PolarHBondContact O-N 2.78Å; F13-K15 VanDerWaalsContact O-N 3.14Å; K15-E17 PolarHBondContact O-N 2.78Å; K15-E17 VanDerWaalsContact O-N 3.13Å
16K73.5Confident79.5Confident57 Ų5757.1 Ų57.125%0.24829%0.286CS..  trans-70.3112.6-175.8-168.9179.8178.8-168.30110.2G12 F13 V18 M64 E88 T185G12-K16 PolarHBondContact O-N 2.86Å; G12-K16 VanDerWaalsContact O-N 3.11Å; F13-K16 WeakPolarHBondContact O-CB 3.38Å; F13-K16 PolarHBondContact O-N 3.45Å; F13-K16 VanDerWaalsContact O-N 3.07Å; K16-V18 HydrophobicContact CD-CG2 4.23Å; K16-V18 HydrophobicContact CG-CG2 4.25Å; K16-M64 PolarHBondContact O-N 3.4Å; K16-E88 WeakPolarHBondContact CE-OE2 3.13Å; K16-E88 IonicContact NZ-OE2 3.7Å; K16-E88 PolarHBondContact NZ-OE2 2.92Å; K16-T185 HydrophobicContact CD-CG2 4.41Å
17E89.1Confident80.8Confident91 Ų9159.9 Ų59.943%0.42530%0.301SS..EExtended strand (participates in β ladder)trans-79.7127160.1-63.2-167.2157.300108.3K15 K57 M64K15-E17 PolarHBondContact O-N 2.78Å; K15-E17 VanDerWaalsContact O-N 3.13Å; E17-K57 IonicContact OE1-NZ 3.68Å; E17-K57 PolarHBondContact OE1-NZ 2.87Å; E17-K57 IonicContact OE2-NZ 2.83Å; E17-M64 CarbonylContact C-O 3.58Å; E17-M64 VanDerWaalsContact CA-O 3.29Å; E17-M64 WeakPolarHBondContact CA-O 3.34Å; E17-M64 HydrophobicContact CG-CB 4.07Å; E17-M64 HydrophobicContact CG-CG 4.13Å
18V94.5Very high82.3Confident0 Ų055.6 Ų55.60%028%0.28CS..EExtended strand (participates in β ladder)trans-106.2127176178.50000108.6K16 V20 M63 M64 F65 L66 E88 L181K16-V18 HydrophobicContact CD-CG2 4.23Å; K16-V18 HydrophobicContact CG-CG2 4.25Å; V18-V20 HydrophobicContact CG1-CG2 4.14Å; V18-V20 PolarHBondContact O-N 3.26Å; V18-M63 HydrophobicContact CG2-SD 4.15Å; V18-M64 PolarHBondContact N-O 3.19Å; V18-F65 HydrophobicContact CB-CD1 4.26Å; V18-L66 PolarHBondContact O-N 3.09Å; V18-E88 WeakPolarHBondContact CA-OE1 3.37Å; V18-E88 HydrophobicContact CG1-CB 3.66Å; V18-E88 HydrophobicContact CG1-CG 4.42Å; V18-L181 HydrophobicContact CB-CD1 4.48Å; V18-L181 HydrophobicContact CG1-CD1 3.76Å; V18-L181 HydrophobicContact CG1-CD2 3.77Å; V18-L181 HydrophobicContact CG1-CG 4.37Å; V18-L181 HydrophobicContact CG2-CD1 4.47Å
19K97Very high83.8Confident70 Ų7053 Ų5330%0.30426%0.263SS..EExtended strand (participates in β ladder)trans-77.8114175.1-66.3-175.5175176.60110.4L66 F68 E86 E88 A89K19-L66 HydrophobicContact CG-CD2 4.47Å; K19-F68 HydrophobicContact CB-CE2 4.05Å; K19-F68 HydrophobicContact CD-CE2 4.25Å; K19-F68 HydrophobicContact CD-CZ 4.48Å; K19-F68 HydrophobicContact CG-CE2 3.97Å; K19-E86 HydrophobicContact CD-CB 4.06Å; K19-E86 IonicContact NZ-OE2 3.75Å; K19-E86 PolarHBondContact NZ-OE2 3.35Å; K19-E88 PolarHBondContact N-OE1 3.46Å; K19-E88 PolarHBondContact O-N 3.27Å; K19-A89 PolarHBondContact O-N 3.4Å
20V98.7Very high85.5Confident0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-112.3122.3179.7-175.40000108.9V18 V22 F65 L66 C67 F68 A89 I91 L177V18-V20 HydrophobicContact CG1-CG2 4.14Å; V18-V20 PolarHBondContact O-N 3.26Å; V20-V22 HydrophobicContact CG1-CG2 4.38Å; V20-F65 HydrophobicContact CG2-CB 3.93Å; V20-F65 HydrophobicContact CG2-CD1 4.43Å; V20-F65 HydrophobicContact CG2-CD2 3.85Å; V20-F65 HydrophobicContact CG2-CE2 4.48Å; V20-F65 HydrophobicContact CG2-CG 3.83Å; V20-L66 PolarHBondContact N-O 2.92Å; V20-C67 CarbonylContact O-C 3.52Å; V20-C67 VanDerWaalsContact O-CA 3.31Å; V20-C67 WeakPolarHBondContact O-CA 3.41Å; V20-F68 PolarHBondContact O-N 3.2Å; V20-A89 WeakPolarHBondContact CA-O 3.46Å; V20-A89 HydrophobicContact CG1-CB 4.39Å; V20-A89 HydrophobicContact CG2-CB 4.3Å; V20-I91 HydrophobicContact CG1-CD1 3.8Å; V20-I91 HydrophobicContact CG1-CG1 3.68Å; V20-L177 HydrophobicContact CG1-CD2 4.33Å
21L98.8Very high87.4Confident1 Ų141.3 Ų41.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-89.7122.7176.1-173.964.3000109.8I23 F68 M70 F83 Y84 C87 A89 I90 I91L21-I23 HydrophobicContact CD1-CG2 4.17Å; L21-I23 HydrophobicContact CD2-CD1 4.4Å; L21-I23 HydrophobicContact CD2-CG2 4.13Å; L21-I23 HydrophobicContact CG-CG2 3.79Å; L21-F68 HydrophobicContact CD1-CB 4.01Å; L21-M70 HydrophobicContact CD1-CG 3.44Å; L21-M70 VanDerWaalsContact CD1-CG 3.44Å; L21-M70 HydrophobicContact CD1-SD 3.73Å; L21-M70 HydrophobicContact CG-CG 4.36Å; L21-F83 HydrophobicContact CD1-CB 3.79Å; L21-F83 HydrophobicContact CD1-CG 4.44Å; L21-F83 HydrophobicContact CD2-CB 4.49Å; L21-Y84 HydrophobicContact CD2-CD1 3.51Å; L21-Y84 HydrophobicContact CD2-CE1 3.63Å; L21-C87 HydrophobicContact CB-CB 3.78Å; L21-A89 PolarHBondContact N-O 2.87Å; L21-I90 HydrophobicContact CB-CG1 4.39Å; L21-I90 CarbonylContact O-C 3.59Å; L21-I90 WeakPolarHBondContact O-CA 3.25Å; L21-I91 PolarHBondContact O-N 3.4Å
22V99Very high89.3Confident0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-110.3108.3-178.1-170.90000108.9V20 K30 L34 C67 F68 M70 I91 V93V20-V22 HydrophobicContact CG1-CG2 4.38Å; V22-K30 HydrophobicContact CG1-CB 4Å; V22-K30 HydrophobicContact CG1-CD 4.33Å; V22-K30 HydrophobicContact CG1-CG 4.08Å; V22-L34 HydrophobicContact CB-CD1 4.39Å; V22-L34 HydrophobicContact CG1-CD1 4.32Å; V22-L34 HydrophobicContact CG2-CD1 4.23Å; V22-L34 HydrophobicContact CG2-CD2 4.15Å; V22-C67 HydrophobicContact CG2-CB 3.93Å; V22-F68 PolarHBondContact N-O 3.44Å; V22-M70 WeakPolarHBondContact O-CB 3.44Å; V22-M70 PolarHBondContact O-N 3.44Å; V22-I91 WeakPolarHBondContact CA-O 3.28Å; V22-I91 HydrophobicContact CG1-CB 4.25Å; V22-I91 HydrophobicContact CG1-CG2 4.29Å; V22-I91 HydrophobicContact CG2-CB 4.24Å; V22-I91 HydrophobicContact CG2-CD1 4.35Å; V22-V93 HydrophobicContact CG1-CG2 4.45Å
23I98.9Very high91.1Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-136.2168.7-168.648.5164.9000112L21 K30 M70 W80 I90 I91 Y92 V93 L112L21-I23 HydrophobicContact CD1-CG2 4.17Å; L21-I23 HydrophobicContact CD2-CD1 4.4Å; L21-I23 HydrophobicContact CD2-CG2 4.13Å; L21-I23 HydrophobicContact CG-CG2 3.79Å; I23-K30 VanDerWaalsContact C-CD 3.4Å; I23-M70 HydrophobicContact CG2-CB 3.7Å; I23-M70 HydrophobicContact CG2-CG 3.5Å; I23-W80 HydrophobicContact CB-CD2 4.15Å; I23-W80 HydrophobicContact CB-CE3 4.35Å; I23-W80 HydrophobicContact CB-CZ2 4.38Å; I23-W80 HydrophobicContact CD1-CE3 4.49Å; I23-W80 HydrophobicContact CG2-CB 4.24Å; I23-W80 HydrophobicContact CG2-CD2 3.75Å; I23-W80 HydrophobicContact CG2-CE3 4.34Å; I23-W80 HydrophobicContact CG2-CG 3.7Å; I23-I90 HydrophobicContact CD1-CG2 3.9Å; I23-I90 HydrophobicContact CG1-CG2 3.87Å; I23-I91 PolarHBondContact N-O 2.97Å; I23-Y92 HydrophobicContact CD1-CD2 3.79Å; I23-Y92 HydrophobicContact CD1-CE2 4.15Å; I23-Y92 HydrophobicContact CG1-CD2 3.8Å; I23-Y92 HydrophobicContact CG1-CE2 4.38Å; I23-Y92 CarbonylContact O-C 3.51Å; I23-Y92 WeakPolarHBondContact O-CA 3.19Å; I23-V93 PolarHBondContact O-N 3.12Å; I23-L112 HydrophobicContact CD1-CD1 3.89Å; I23-L112 HydrophobicContact CD1-CD2 3.61Å; I23-L112 HydrophobicContact CD1-CG 4.31Å
24G98.9Very high93.1Very high0 Ų033.6 Ų33.60%017%0.169CC..  trans134.4164.8-17000000110.6K30 G72 W80G24-K30 WeakPolarHBondContact O-CE 3.23Å; G24-K30 PolarHBondContact O-NZ 2.76Å; G24-G72 VanDerWaalsContact O-CA 3.26Å; G24-G72 WeakPolarHBondContact O-CA 3.47Å; G24-W80 WeakPolarHBondContact O-CZ2 3.26Å
25L98.8Very high95Very high6 Ų630.7 Ų30.73%0.03115%0.154CC..  trans-61.3160.2-173.7-52.8-167.8000112.9S28 K30 R101 V104 V105 E108L25-S28 VanDerWaalsContact O-CB 3.31Å; L25-S28 WeakPolarHBondContact O-CB 3.37Å; L25-S28 PolarHBondContact O-N 3.28Å; L25-S28 PolarHBondContact O-OG 3.49Å; L25-K30 PolarHBondContact O-NZ 2.9Å; L25-R101 HydrophobicContact CD1-CB 3.9Å; L25-V104 HydrophobicContact CD1-CB 4Å; L25-V104 HydrophobicContact CD1-CG1 3.94Å; L25-V104 HydrophobicContact CD2-CG1 4.01Å; L25-V105 HydrophobicContact CD1-CG2 3.51Å; L25-V105 HydrophobicContact CG-CG2 3.84Å; L25-E108 HydrophobicContact CD2-CG 3.99Å
26D98.6Very high96.8Very high53 Ų5327 Ų2728%0.28314%0.138SC..THydrogen-bonded Turntrans-55.5149.7170.155.4-75000110.7S28 G72 R77 R101D26-S28 PolarHBondContact O-N 2.69Å; D26-S28 VanDerWaalsContact O-N 3.14Å; D26-G72 PolarHBondContact N-O 3.22Å; D26-G72 VanDerWaalsContact OD1-O 3.11Å; D26-R77 IonicContact OD1-NH2 3.46Å; D26-R101 VanDerWaalsContact CG-NH1 3.3Å; D26-R101 PolarHBondContact O-NH2 2.99Å; D26-R101 IonicContact OD1-NH1 2.75Å; D26-R101 PolarHBondContact OD1-NH1 3.33Å; D26-R101 IonicContact OD2-CZ 2.64Å; D26-R101 IonicContact OD2-NH1 3.93Å; D26-R101 PolarHBondContact OD2-NH1 3.49Å
27N98.2Very high97.9Very high114 Ų11425.7 Ų25.761%0.6113%0.133SC*.THydrogen-bonded Turntrans65.9-0.5-174.3-164.140.8000115.9G29 K131N27-G29 PolarHBondContact O-N 2.99Å; N27-G29 VanDerWaalsContact O-N 3.13Å; N27-K131 PolarHBondContact ND2-NZ 2.68Å; N27-K131 WeakPolarHBondContact O-CE 3.43Å; N27-K131 PolarHBondContact O-NZ 2.81Å; N27-K131 PolarHBondContact OD1-NZ 3.09Å
28S98.7Very high98.3Very high2 Ų222.8 Ų22.81%0.01412%0.12CC..SBendtrans-66.9-15.2178.973.40000115L25 D26 K30 V93 N130L25-S28 VanDerWaalsContact O-CB 3.31Å; L25-S28 WeakPolarHBondContact O-CB 3.37Å; L25-S28 PolarHBondContact O-N 3.28Å; L25-S28 PolarHBondContact O-OG 3.49Å; D26-S28 PolarHBondContact O-N 2.69Å; D26-S28 VanDerWaalsContact O-N 3.14Å; S28-K30 PolarHBondContact OG-NZ 3.35Å; S28-V93 VanDerWaalsContact CB-O 3.28Å; S28-V93 WeakPolarHBondContact CB-O 3.36Å; S28-V93 VanDerWaalsContact O-CG1 3.31Å; S28-V93 WeakPolarHBondContact O-CG1 3.31Å; S28-V93 PolarHBondContact OG-O 3.12Å; S28-V93 VanDerWaalsContact OG-O 3.13Å; S28-N130 PolarHBondContact O-ND2 3.43Å
29G98.8Very high98.3Very high11 Ų1125.7 Ų25.711%0.11314%0.14CC..SBendtrans98.716175.200000115.3N27 S31 T32 I33N27-G29 PolarHBondContact O-N 2.99Å; N27-G29 VanDerWaalsContact O-N 3.13Å; G29-S31 PolarHBondContact O-N 2.93Å; G29-T32 WeakPolarHBondContact O-CB 3.47Å; G29-T32 PolarHBondContact O-N 2.74Å; G29-I33 WeakPolarHBondContact O-CG1 3.5Å; G29-I33 PolarHBondContact O-N 3.35Å
30K98.9Very high98.1Very high10 Ų1031 Ų314%0.04316%0.163CC..Hα-helixtrans-50-57.8177.3-64177.6-59.9-67.20113.2V22 I23 G24 L25 S28 T32 I33 L34 D69 M70 V93V22-K30 HydrophobicContact CG1-CB 4Å; V22-K30 HydrophobicContact CG1-CD 4.33Å; V22-K30 HydrophobicContact CG1-CG 4.08Å; I23-K30 VanDerWaalsContact C-CD 3.4Å; G24-K30 WeakPolarHBondContact O-CE 3.23Å; G24-K30 PolarHBondContact O-NZ 2.76Å; L25-K30 PolarHBondContact O-NZ 2.9Å; S28-K30 PolarHBondContact OG-NZ 3.35Å; K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 2.68Å; K30-I33 WeakPolarHBondContact O-CB 3.19Å; K30-I33 PolarHBondContact O-N 3.12Å; K30-I33 VanDerWaalsContact O-N 3.14Å; K30-L34 WeakPolarHBondContact O-CG 3.47Å; K30-L34 PolarHBondContact O-N 3.1Å; K30-D69 WeakPolarHBondContact CB-OD1 3.22Å; K30-M70 WeakPolarHBondContact CE-O 3.45Å; K30-V93 HydrophobicContact CG-CB 3.76Å; K30-V93 HydrophobicContact CG-CG1 4.43Å; K30-V93 HydrophobicContact CG-CG2 3.72Å
31S98.9Very high97.8Very high23 Ų2338.7 Ų38.716%0.16120%0.199CC..Hα-helixtrans-62.8-35.4179.8-42.70000111.9G29 L34 N35 T50 D69G29-S31 PolarHBondContact O-N 2.93Å; S31-L34 PolarHBondContact O-N 2.97Å; S31-N35 WeakPolarHBondContact O-CB 3.48Å; S31-N35 PolarHBondContact O-N 3.11Å; S31-T50 PolarHBondContact OG-OG1 3.41Å; S31-T50 VanDerWaalsContact OG-OG1 3.09Å; S31-D69 VanDerWaalsContact CB-OD2 3.28Å; S31-D69 WeakPolarHBondContact CB-OD2 3.45Å; S31-D69 PolarHBondContact OG-OD1 3.12Å; S31-D69 PolarHBondContact OG-OD2 3.06Å
32T98.8Very high97.6Very high38 Ų3842.2 Ų42.223%0.23322%0.221CC..Hα-helixtrans-65-42.7174.3-48.20000111.8G29 K30 N35 K36 A164 I165G29-T32 WeakPolarHBondContact O-CB 3.47Å; G29-T32 PolarHBondContact O-N 2.74Å; K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 2.68Å; T32-N35 PolarHBondContact O-N 3.28Å; T32-K36 VanDerWaalsContact O-CB 3.26Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 PolarHBondContact O-N 3.5Å; T32-A164 HydrophobicContact CG2-CB 3.68Å; T32-I165 HydrophobicContact CG2-CD1 3.94Å
33I98.9Very high97.4Very high1 Ų145.2 Ų45.21%0.00524%0.235CC..Hα-helixtrans-59.2-51.8174.8-73.1173.6000109.8G29 K30 N35 K36 L37 V93 F128 N130 A164 L170G29-I33 WeakPolarHBondContact O-CG1 3.5Å; G29-I33 PolarHBondContact O-N 3.35Å; K30-I33 WeakPolarHBondContact O-CB 3.19Å; K30-I33 PolarHBondContact O-N 3.12Å; K30-I33 VanDerWaalsContact O-N 3.14Å; I33-N35 PolarHBondContact O-N 3.39Å; I33-K36 PolarHBondContact O-N 3.39Å; I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 WeakPolarHBondContact O-CD1 3.38Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.31Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-L37 VanDerWaalsContact O-N 3.09Å; I33-V93 HydrophobicContact CD1-CG1 3.73Å; I33-V93 HydrophobicContact CD1-CG2 3.94Å; I33-F128 HydrophobicContact CD1-CB 4.16Å; I33-F128 HydrophobicContact CD1-CD2 3.94Å; I33-F128 HydrophobicContact CD1-CG 4.19Å; I33-F128 HydrophobicContact CG2-CE2 4.33Å; I33-N130 HydrophobicContact CD1-CB 4.45Å; I33-A164 HydrophobicContact CG1-CB 3.52Å; I33-L170 HydrophobicContact CB-CD2 4.43Å; I33-L170 HydrophobicContact CD1-CD2 4.11Å; I33-L170 HydrophobicContact CG1-CD1 4.44Å; I33-L170 HydrophobicContact CG1-CD2 3.85Å; I33-L170 HydrophobicContact CG2-CD1 4.22Å; I33-L170 HydrophobicContact CG2-CD2 3.95Å
34L98.8Very high97.2Very high3 Ų349.9 Ų49.92%0.01626%0.259CS..Hα-helixtrans-62.6-44.1-178.7-63.4175.8000111.6V22 K30 S31 K36 L37 Q38 E56 I58 C67 D69V22-L34 HydrophobicContact CB-CD1 4.39Å; V22-L34 HydrophobicContact CG1-CD1 4.32Å; V22-L34 HydrophobicContact CG2-CD1 4.23Å; V22-L34 HydrophobicContact CG2-CD2 4.15Å; K30-L34 WeakPolarHBondContact O-CG 3.47Å; K30-L34 PolarHBondContact O-N 3.1Å; S31-L34 PolarHBondContact O-N 2.97Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.92Å; L34-L37 PolarHBondContact O-N 3.32Å; L34-Q38 PolarHBondContact O-N 3.01Å; L34-E56 HydrophobicContact CB-CG 4.47Å; L34-E56 HydrophobicContact CD1-CB 4.49Å; L34-E56 HydrophobicContact CD1-CG 4.46Å; L34-I58 HydrophobicContact CB-CD1 4.24Å; L34-I58 HydrophobicContact CD2-CD1 3.39Å; L34-I58 HydrophobicContact CG-CD1 4.41Å; L34-C67 HydrophobicContact CD1-CB 4.22Å; L34-C67 HydrophobicContact CD2-CB 3.81Å; L34-D69 HydrophobicContact CD1-CB 3.5Å
35N98.5Very high96.9Very high20 Ų2056.2 Ų56.211%0.10730%0.304CS..Hα-helixtrans-59.5-42.7174.7-171.468.2000111.9S31 T32 I33 L37 Q38 Q43 N44 I47S31-N35 WeakPolarHBondContact O-CB 3.48Å; S31-N35 PolarHBondContact O-N 3.11Å; T32-N35 PolarHBondContact O-N 3.28Å; I33-N35 PolarHBondContact O-N 3.39Å; N35-L37 PolarHBondContact O-N 2.75Å; N35-Q38 WeakPolarHBondContact O-CB 3.16Å; N35-Q38 PolarHBondContact O-N 3.16Å; N35-Q38 VanDerWaalsContact O-N 3.17Å; N35-Q43 VanDerWaalsContact O-CG 3.28Å; N35-Q43 WeakPolarHBondContact O-CG 3.45Å; N35-Q43 PolarHBondContact O-NE2 3.33Å; N35-Q43 WeakPolarHBondContact OD1-CA 3.35Å; N35-N44 PolarHBondContact ND2-O 2.87Å; N35-N44 PolarHBondContact OD1-N 3.5Å; N35-I47 HydrophobicContact CB-CD1 3.79Å; N35-I47 HydrophobicContact CB-CG1 4.44Å
36K98.3Very high96.7Very high67 Ų6762.1 Ų62.129%0.29134%0.335SS..Hα-helixtrans-65.4-28.5-179.9-173.263.7-178.8-162.30113.1T32 I33 L34 Q43 A164 I165 N166 L170T32-K36 VanDerWaalsContact O-CB 3.26Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 PolarHBondContact O-N 3.5Å; I33-K36 PolarHBondContact O-N 3.39Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.92Å; K36-Q43 PolarHBondContact O-NE2 3.33Å; K36-A164 WeakPolarHBondContact CB-O 3.45Å; K36-A164 WeakPolarHBondContact CG-O 3.41Å; K36-I165 WeakPolarHBondContact CE-O 3.35Å; K36-I165 PolarHBondContact NZ-O 2.69Å; K36-N166 WeakPolarHBondContact CE-O 3.46Å; K36-N166 PolarHBondContact NZ-O 3.32Å; K36-L170 HydrophobicContact CB-CD1 4.09Å; K36-L170 HydrophobicContact CG-CD1 4.01Å
37L97.9Very high96.6Very high30 Ų3062.5 Ų62.516%0.15734%0.336CS..Hα-helixtrans-82.4-13.2178.3-70.5163.1000113.4I33 L34 N35 I58 L170 L174I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 WeakPolarHBondContact O-CD1 3.38Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.31Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-L37 VanDerWaalsContact O-N 3.09Å; L34-L37 PolarHBondContact O-N 3.32Å; N35-L37 PolarHBondContact O-N 2.75Å; L37-I58 HydrophobicContact CB-CD1 3.88Å; L37-I58 HydrophobicContact CB-CG2 4.25Å; L37-I58 HydrophobicContact CD1-CD1 4.06Å; L37-L170 HydrophobicContact CD2-CB 3.95Å; L37-L170 HydrophobicContact CD2-CD1 4.48Å; L37-L170 HydrophobicContact CG-CB 4.48Å; L37-L170 HydrophobicContact CG-CD1 4.28Å; L37-L174 HydrophobicContact CD1-CD1 3.67Å; L37-L174 HydrophobicContact CD1-CD2 4.48Å; L37-L174 HydrophobicContact CD1-CG 4.26Å; L37-L174 HydrophobicContact CD2-CD1 3.5Å; L37-L174 VanDerWaalsContact CD2-CD1 3.5Å; L37-L174 HydrophobicContact CD2-CG 4.37Å; L37-L174 HydrophobicContact CG-CD1 4.11Å
38Q96.7Very high96.6Very high30 Ų3061.5 Ų61.514%0.1433%0.334CS..SBendtrans-70.3159.2170.2-63.3-63.39.900111.2L34 N35 T42 Q43 E56 K57L34-Q38 PolarHBondContact O-N 3.01Å; N35-Q38 WeakPolarHBondContact O-CB 3.16Å; N35-Q38 PolarHBondContact O-N 3.16Å; N35-Q38 VanDerWaalsContact O-N 3.17Å; Q38-T42 HydrophobicContact CB-CG2 4.24Å; Q38-T42 HydrophobicContact CG-CG2 4.28Å; Q38-Q43 HydrophobicContact CB-CG 4.3Å; Q38-Q43 PolarHBondContact O-NE2 3.25Å; Q38-E56 PolarHBondContact NE2-OE2 3.2Å; Q38-K57 PolarHBondContact NE2-O 3.4Å; Q38-K57 VanDerWaalsContact NE2-O 3.1Å; Q38-K57 PolarHBondContact OE1-O 3.06Å
39S93.3Very high96.5Very high60 Ų6067.2 Ų67.242%0.4237%0.371SS..  trans-60.8152.8170.8890000110E41 T42 Q43S39-E41 VanDerWaalsContact CB-OE2 3.24Å; S39-E41 WeakPolarHBondContact CB-OE2 3.3Å; S39-E41 PolarHBondContact O-N 3.46Å; S39-E41 VanDerWaalsContact O-N 3.07Å; S39-E41 PolarHBondContact OG-OE2 3.12Å; S39-T42 PolarHBondContact O-N 3.05Å; S39-Q43 VanDerWaalsContact O-CG 3.25Å; S39-Q43 WeakPolarHBondContact O-CG 3.46Å; S39-Q43 PolarHBondContact O-N 3.35Å; S39-Q43 VanDerWaalsContact O-N 3.12Å
40K92.9Very high96.5Very high182 Ų18268.1 Ų68.179%0.79137%0.374SS*.THydrogen-bonded Turntrans-55-32.2-176.3-73.5-175.7177.2-179.20112.8T42K40-T42 VanDerWaalsContact C-N 3.31Å
41E94Very high96.4Very high162 Ų16274 Ų7476%0.75741%0.405SS*.THydrogen-bonded Turntrans-72.5-22.7179.5-55.173.7-159.500113S39S39-E41 VanDerWaalsContact CB-OE2 3.24Å; S39-E41 WeakPolarHBondContact CB-OE2 3.3Å; S39-E41 PolarHBondContact O-N 3.46Å; S39-E41 VanDerWaalsContact O-N 3.07Å; S39-E41 PolarHBondContact OG-OE2 3.12Å
42T93.4Very high96.3Very high75 Ų7573.3 Ų73.346%0.4640%0.402SS..THydrogen-bonded Turntrans-102.2-12.4-179.5-55.30000112.7Q38 S39 K40 N44Q38-T42 HydrophobicContact CB-CG2 4.24Å; Q38-T42 HydrophobicContact CG-CG2 4.28Å; S39-T42 PolarHBondContact O-N 3.05Å; K40-T42 VanDerWaalsContact C-N 3.31Å; T42-N44 PolarHBondContact O-N 2.97Å
43Q95.9Very high96.3Very high63 Ų6376.8 Ų76.829%0.29441%0.411SS..  trans-64.6130.1178.5-54.6-162.9-6.100111N35 K36 Q38 S39N35-Q43 VanDerWaalsContact O-CG 3.28Å; N35-Q43 WeakPolarHBondContact O-CG 3.45Å; N35-Q43 PolarHBondContact O-NE2 3.33Å; N35-Q43 WeakPolarHBondContact OD1-CA 3.35Å; K36-Q43 PolarHBondContact O-NE2 3.33Å; Q38-Q43 HydrophobicContact CB-CG 4.3Å; Q38-Q43 PolarHBondContact O-NE2 3.25Å; S39-Q43 VanDerWaalsContact O-CG 3.25Å; S39-Q43 WeakPolarHBondContact O-CG 3.46Å; S39-Q43 PolarHBondContact O-N 3.35Å; S39-Q43 VanDerWaalsContact O-N 3.12Å
44N94.8Very high96.3Very high97 Ų9780.2 Ų80.252%0.51943%0.43SS..  trans-78.8139.3170.6-63.7-62.3000110.2N35 T42 I47N35-N44 PolarHBondContact ND2-O 2.87Å; N35-N44 PolarHBondContact OD1-N 3.5Å; T42-N44 PolarHBondContact O-N 2.97Å; N44-I47 HydrophobicContact CB-CD1 4.04Å
45S91.6Very high96.2Very high133 Ų13382.8 Ų82.893%0.9345%0.445SS*.SBendtrans-77.2-26.1176.555.90000113.1
46L95.3Very high96.1Very high131 Ų13184 Ų8469%0.68645%0.45SS*.  trans-122121.3179.5179.464.1000109.7V48L46-V48 HydrophobicContact CD1-CG1 4.43Å; L46-V48 HydrophobicContact CD2-CG1 4.09Å; L46-V48 HydrophobicContact CG-CG1 3.95Å
47I97Very high96Very high61 Ų6185.9 Ų85.931%0.31346%0.458SS..  trans-107.9122.2172.2-56.2-59.9000108N35 N44N35-I47 HydrophobicContact CB-CD1 3.79Å; N35-I47 HydrophobicContact CB-CG1 4.44Å; N44-I47 HydrophobicContact CB-CD1 4.04Å
48V96.7Very high95.9Very high93 Ų9384.7 Ų84.756%0.56445%0.452SS*.  trans-110.4161.4179.2-61.70000110.2L46 T50L46-V48 HydrophobicContact CD1-CG1 4.43Å; L46-V48 HydrophobicContact CD2-CG1 4.09Å; L46-V48 HydrophobicContact CG-CG1 3.95Å; V48-T50 PolarHBondContact O-N 3.34Å
49P97.8Very high95.8Very high122 Ų12291.1 Ų91.179%0.79248%0.475SS*.PPolyproline II helixtrans-54.4127.5176.2-27.536000112.8
50T97.8Very high95.8Very high29 Ų2988.6 Ų88.618%0.17846%0.457CS..PPolyproline II helixtrans-68131.7178.4-51.40000111.1S31 V48 D69 S71S31-T50 PolarHBondContact OG-OG1 3.41Å; S31-T50 VanDerWaalsContact OG-OG1 3.09Å; V48-T50 PolarHBondContact O-N 3.34Å; T50-D69 PolarHBondContact OG1-OD2 3.16Å; T50-S71 WeakPolarHBondContact O-CB 3.3Å; T50-S71 PolarHBondContact O-OG 3.1Å
51I97.3Very high95.7Very high133 Ų13382.9 Ų82.968%0.68244%0.44SS*.SBendtrans-96.6118.2172-66.2175.1000108Y53 Y76I51-Y53 PolarHBondContact O-N 3.09Å; I51-Y76 HydrophobicContact CG2-CE1 4.48Å; I51-Y76 HydrophobicContact CG2-CE2 4.41Å
52G97.4Very high95.3Very high10 Ų1079.6 Ų79.610%0.10343%0.425CS..SBendtrans65.7-95.9-176.400000112S71G52-S71 WeakPolarHBondContact O-CB 3.48Å; G52-S71 PolarHBondContact O-N 3.05Å
53Y98.5Very high95.2Very high111 Ų11176.1 Ų76.144%0.43540%0.403SS..EExtended strand (participates in β ladder)trans-153.3158.9176.672.1-75.5000112.2I51 V55 F68 D69 M70 L79 F83I51-Y53 PolarHBondContact O-N 3.09Å; Y53-V55 HydrophobicContact CD2-CG2 3.94Å; Y53-V55 HydrophobicContact CE2-CG2 3.78Å; Y53-F68 HydrophobicContact CD2-CD1 4.19Å; Y53-F68 HydrophobicContact CE2-CD1 4.27Å; Y53-D69 CarbonylContact C-O 3.57Å; Y53-D69 WeakPolarHBondContact CA-O 3.38Å; Y53-D69 WeakPolarHBondContact CB-O 3.48Å; Y53-M70 VanDerWaalsContact CB-SD 3.54Å; Y53-M70 HydrophobicContact CG-CE 4.45Å; Y53-M70 HydrophobicContact CG-SD 4.3Å; Y53-L79 HydrophobicContact CD1-CD2 3.8Å; Y53-F83 HydrophobicContact CD1-CE2 4.28Å; Y53-F83 HydrophobicContact CD1-CZ 4.03Å; Y53-F83 HydrophobicContact CD2-CZ 4.17Å; Y53-F83 HydrophobicContact CE1-CE2 4.41Å; Y53-F83 AromaticContact CE1-CZ 3.8Å; Y53-F83 HydrophobicContact CE1-CZ 3.8Å; Y53-F83 HydrophobicContact CE2-CE1 4.3Å; Y53-F83 AromaticContact CE2-CZ 3.95Å; Y53-F83 HydrophobicContact CE2-CZ 3.95Å; Y53-F83 HydrophobicContact CG-CE2 4.46Å; Y53-F83 HydrophobicContact CG-CZ 4.21Å; Y53-F83 AromaticContact CZ-CZ 3.75Å
54N97.9Very high95.1Very high72 Ų7274.8 Ų74.839%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-122.8164.4166.1-176.436.3000109.8E56 F68 D69N54-E56 PolarHBondContact ND2-OE1 3.27Å; N54-F68 CarbonylContact O-C 3.53Å; N54-D69 HydrophobicContact CB-CB 4.36Å; N54-D69 PolarHBondContact N-O 2.83Å; N54-D69 PolarHBondContact O-N 2.81Å
55V97.1Very high95.2Very high57 Ų5770.1 Ų70.135%0.34537%0.373SS..EExtended strand (participates in β ladder)trans-124.1118.1177.1-175.70000110Y53 L66 C67 F68Y53-V55 HydrophobicContact CD2-CG2 3.94Å; Y53-V55 HydrophobicContact CE2-CG2 3.78Å; V55-L66 HydrophobicContact CG1-CD1 3.31Å; V55-L66 HydrophobicContact CG1-CD2 4.42Å; V55-L66 HydrophobicContact CG1-CG 3.68Å; V55-C67 WeakPolarHBondContact CA-O 3.29Å; V55-F68 HydrophobicContact CG2-CD1 3.82Å; V55-F68 HydrophobicContact CG2-CE1 3.89Å
56E96.9Very high95.5Very high45 Ų4564.9 Ų64.921%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-113.9137.7-179.2-69.6-63.3155.900110.6L34 Q38 N54 C67L34-E56 HydrophobicContact CB-CG 4.47Å; L34-E56 HydrophobicContact CD1-CB 4.49Å; L34-E56 HydrophobicContact CD1-CG 4.46Å; Q38-E56 PolarHBondContact NE2-OE2 3.2Å; N54-E56 PolarHBondContact ND2-OE1 3.27Å; E56-C67 HydrophobicContact CB-CB 4.39Å; E56-C67 PolarHBondContact N-O 2.94Å; E56-C67 WeakPolarHBondContact O-CB 3.39Å; E56-C67 PolarHBondContact O-N 3.19Å
57K96Very high95.7Very high107 Ų10758.7 Ų58.747%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-99.8121.7174-70.5-167.2-176.7-157.30109.6E17 Q38 M64 F65 L66E17-K57 IonicContact OE1-NZ 3.68Å; E17-K57 PolarHBondContact OE1-NZ 2.87Å; E17-K57 IonicContact OE2-NZ 2.83Å; Q38-K57 PolarHBondContact NE2-O 3.4Å; Q38-K57 VanDerWaalsContact NE2-O 3.1Å; Q38-K57 PolarHBondContact OE1-O 3.06Å; K57-M64 HydrophobicContact CB-SD 3.83Å; K57-F65 WeakPolarHBondContact CA-O 3.43Å; K57-L66 HydrophobicContact CD-CD1 4.37Å; K57-L66 HydrophobicContact CG-CD1 3.72Å
58I95.8Very high95.8Very high5 Ų556.8 Ų56.83%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-123.4123.4178.7-61.8175.5000108.9L34 L37 V60 F65 L174L34-I58 HydrophobicContact CB-CD1 4.24Å; L34-I58 HydrophobicContact CD2-CD1 3.39Å; L34-I58 HydrophobicContact CG-CD1 4.41Å; L37-I58 HydrophobicContact CB-CD1 3.88Å; L37-I58 HydrophobicContact CB-CG2 4.25Å; L37-I58 HydrophobicContact CD1-CD1 4.06Å; I58-V60 HydrophobicContact CG2-CG2 4.02Å; I58-V60 PolarHBondContact O-N 3.25Å; I58-F65 PolarHBondContact N-O 2.64Å; I58-F65 PolarHBondContact O-N 3.27Å; I58-L174 HydrophobicContact CG2-CD1 4.26Å
59R93.8Very high95.9Very high165 Ų16552.6 Ų52.662%0.62327%0.266SS*.EExtended strand (participates in β ladder)trans-81.6119174.1-177.6173-66.7-79.9-0.6109.9M64R59-M64 HydrophobicContact CB-CE 4.08Å
60V94.1Very high95.9Very high8 Ų846.8 Ų46.85%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-117.6101.3174.7-172.80000108.5I58 Q62 M63 F65 L174 M175 F178I58-V60 HydrophobicContact CG2-CG2 4.02Å; I58-V60 PolarHBondContact O-N 3.25Å; V60-Q62 PolarHBondContact O-N 3.25Å; V60-Q62 VanDerWaalsContact O-N 3.12Å; V60-M63 PolarHBondContact N-O 3.1Å; V60-M63 PolarHBondContact O-N 3.24Å; V60-F65 HydrophobicContact CB-CD1 4.44Å; V60-F65 HydrophobicContact CB-CD2 4.49Å; V60-F65 HydrophobicContact CB-CE1 4.18Å; V60-F65 HydrophobicContact CB-CE2 4.25Å; V60-F65 HydrophobicContact CB-CZ 4.08Å; V60-F65 HydrophobicContact CG1-CZ 4.34Å; V60-F65 HydrophobicContact CG2-CD1 4.3Å; V60-F65 HydrophobicContact CG2-CD2 3.7Å; V60-F65 HydrophobicContact CG2-CE1 4.37Å; V60-F65 HydrophobicContact CG2-CE2 3.78Å; V60-F65 HydrophobicContact CG2-CG 3.97Å; V60-F65 HydrophobicContact CG2-CZ 4.12Å; V60-L174 HydrophobicContact CG1-CB 4.1Å; V60-L174 HydrophobicContact CG2-CB 4.28Å; V60-L174 HydrophobicContact CG2-CD1 3.8Å; V60-M175 HydrophobicContact CG1-SD 4.04Å; V60-F178 HydrophobicContact CG1-CB 3.84Å; V60-F178 HydrophobicContact CG1-CD2 4.41Å; V60-F178 HydrophobicContact CG1-CG 4.34Å; V60-F178 WeakPolarHBondContact O-CD2 3.38Å
61S90.7Very high96Very high62 Ų6245.8 Ų45.843%0.43422%0.222SC..THydrogen-bonded Turntrans51.8-118-171.8-172.20000110.8
62Q86.5Confident96Very high93 Ų9339.5 Ų39.544%0.43519%0.19SC..THydrogen-bonded Turntrans-89.5-1.5-178.8-58.3-55-40.700114.4F13 L14 V60F13-Q62 HydrophobicContact CE1-CB 4.22Å; L14-Q62 HydrophobicContact CD2-CB 4.16Å; L14-Q62 HydrophobicContact CD2-CG 4.2Å; V60-Q62 PolarHBondContact O-N 3.25Å; V60-Q62 VanDerWaalsContact O-N 3.12Å
63M90.5Very high96Very high1 Ų140.5 Ų40.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-104.3150.4177.9-72.7177-164.400111.6F13 V18 V60 F65 F178 L181 K182F13-M63 HydrophobicContact CD2-CE 4.46Å; F13-M63 HydrophobicContact CE1-CE 4.47Å; F13-M63 HydrophobicContact CE2-CE 3.33Å; F13-M63 HydrophobicContact CZ-CE 3.33Å; F13-M63 HydrophobicContact CZ-CG 4.46Å; V18-M63 HydrophobicContact CG2-SD 4.15Å; V60-M63 PolarHBondContact N-O 3.1Å; V60-M63 PolarHBondContact O-N 3.24Å; M63-F65 HydrophobicContact CB-CD1 4.1Å; M63-F65 HydrophobicContact CB-CE1 3.84Å; M63-F65 HydrophobicContact SD-CE1 3.96Å; M63-F178 HydrophobicContact CB-CD2 4.04Å; M63-F178 HydrophobicContact CB-CE2 4.12Å; M63-F178 HydrophobicContact CE-CD2 3.95Å; M63-F178 HydrophobicContact CE-CE2 3.83Å; M63-F178 HydrophobicContact CG-CD2 3.83Å; M63-F178 HydrophobicContact CG-CE2 3.68Å; M63-F178 HydrophobicContact SD-CD2 3.54Å; M63-F178 VanDerWaalsContact SD-CD2 3.54Å; M63-F178 HydrophobicContact SD-CE2 3.84Å; M63-L181 HydrophobicContact CE-CB 4.14Å; M63-L181 HydrophobicContact SD-CB 4.01Å; M63-K182 HydrophobicContact CE-CB 3.85Å
64M94.5Very high96Very high35 Ų3537.9 Ų37.917%0.17220%0.202CC..EExtended strand (participates in β ladder)trans-102.2118.2165.9-174.760.363.100108.6K16 E17 V18 K57 R59K16-M64 PolarHBondContact O-N 3.4Å; E17-M64 CarbonylContact C-O 3.58Å; E17-M64 VanDerWaalsContact CA-O 3.29Å; E17-M64 WeakPolarHBondContact CA-O 3.34Å; E17-M64 HydrophobicContact CG-CB 4.07Å; E17-M64 HydrophobicContact CG-CG 4.13Å; V18-M64 PolarHBondContact N-O 3.19Å; K57-M64 HydrophobicContact CB-SD 3.83Å; R59-M64 HydrophobicContact CB-CE 4.08Å
65F97Very high95.9Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-89.3119.9172.4-71.19.8000108.1V18 V20 K57 I58 V60 M63 C67 L174 L177 F178 L181V18-F65 HydrophobicContact CB-CD1 4.26Å; V20-F65 HydrophobicContact CG2-CB 3.93Å; V20-F65 HydrophobicContact CG2-CD1 4.43Å; V20-F65 HydrophobicContact CG2-CD2 3.85Å; V20-F65 HydrophobicContact CG2-CE2 4.48Å; V20-F65 HydrophobicContact CG2-CG 3.83Å; K57-F65 WeakPolarHBondContact CA-O 3.43Å; I58-F65 PolarHBondContact N-O 2.64Å; I58-F65 PolarHBondContact O-N 3.27Å; V60-F65 HydrophobicContact CB-CD1 4.44Å; V60-F65 HydrophobicContact CB-CD2 4.49Å; V60-F65 HydrophobicContact CB-CE1 4.18Å; V60-F65 HydrophobicContact CB-CE2 4.25Å; V60-F65 HydrophobicContact CB-CZ 4.08Å; V60-F65 HydrophobicContact CG1-CZ 4.34Å; V60-F65 HydrophobicContact CG2-CD1 4.3Å; V60-F65 HydrophobicContact CG2-CD2 3.7Å; V60-F65 HydrophobicContact CG2-CE1 4.37Å; V60-F65 HydrophobicContact CG2-CE2 3.78Å; V60-F65 HydrophobicContact CG2-CG 3.97Å; V60-F65 HydrophobicContact CG2-CZ 4.12Å; M63-F65 HydrophobicContact CB-CD1 4.1Å; M63-F65 HydrophobicContact CB-CE1 3.84Å; M63-F65 HydrophobicContact SD-CE1 3.96Å; F65-C67 PolarHBondContact O-N 3.05Å; F65-L174 HydrophobicContact CD2-CD2 4.38Å; F65-L174 HydrophobicContact CE2-CD2 4.25Å; F65-L177 HydrophobicContact CE2-CB 4.47Å; F65-L177 HydrophobicContact CE2-CD2 3.97Å; F65-L177 HydrophobicContact CE2-CG 4.27Å; F65-F178 HydrophobicContact CZ-CB 4.2Å; F65-L181 HydrophobicContact CE1-CD1 3.76Å; F65-L181 HydrophobicContact CE2-CD1 4.45Å; F65-L181 HydrophobicContact CZ-CD1 3.63Å
66L97.7Very high96Very high23 Ų2340.7 Ų40.712%0.1221%0.214CC..EExtended strand (participates in β ladder)trans-91.491.5169-170.468.6000107.3V18 K19 V20 V55 K57 F68V18-L66 PolarHBondContact O-N 3.09Å; K19-L66 HydrophobicContact CG-CD2 4.47Å; V20-L66 PolarHBondContact N-O 2.92Å; V55-L66 HydrophobicContact CG1-CD1 3.31Å; V55-L66 HydrophobicContact CG1-CD2 4.42Å; V55-L66 HydrophobicContact CG1-CG 3.68Å; K57-L66 HydrophobicContact CD-CD1 4.37Å; K57-L66 HydrophobicContact CG-CD1 3.72Å; L66-F68 HydrophobicContact CD2-CE2 3.94Å; L66-F68 HydrophobicContact CD2-CZ 3.98Å; L66-F68 HydrophobicContact CG-CE2 3.99Å; L66-F68 HydrophobicContact CG-CZ 4.37Å; L66-F68 WeakPolarHBondContact O-CD2 3.47Å
67C98.7Very high96Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-84.6115.2-174.7-68.10000110.5V20 V22 L34 V55 E56 F65 D69V20-C67 CarbonylContact O-C 3.52Å; V20-C67 VanDerWaalsContact O-CA 3.31Å; V20-C67 WeakPolarHBondContact O-CA 3.41Å; V22-C67 HydrophobicContact CG2-CB 3.93Å; L34-C67 HydrophobicContact CD1-CB 4.22Å; L34-C67 HydrophobicContact CD2-CB 3.81Å; V55-C67 WeakPolarHBondContact CA-O 3.29Å; E56-C67 HydrophobicContact CB-CB 4.39Å; E56-C67 PolarHBondContact N-O 2.94Å; E56-C67 WeakPolarHBondContact O-CB 3.39Å; E56-C67 PolarHBondContact O-N 3.19Å; F65-C67 PolarHBondContact O-N 3.05Å; C67-D69 PolarHBondContact O-N 3.22Å
68F98.6Very high96.1Very high22 Ų2240.4 Ų40.410%0.09622%0.216CC..EExtended strand (participates in β ladder)trans-85.698.3170.8-66.6-101.3000108.1K19 V20 L21 V22 Y53 N54 V55 L66 M70 F83K19-F68 HydrophobicContact CB-CE2 4.05Å; K19-F68 HydrophobicContact CD-CE2 4.25Å; K19-F68 HydrophobicContact CD-CZ 4.48Å; K19-F68 HydrophobicContact CG-CE2 3.97Å; V20-F68 PolarHBondContact O-N 3.2Å; L21-F68 HydrophobicContact CD1-CB 4.01Å; V22-F68 PolarHBondContact N-O 3.44Å; Y53-F68 HydrophobicContact CD2-CD1 4.19Å; Y53-F68 HydrophobicContact CE2-CD1 4.27Å; N54-F68 CarbonylContact O-C 3.53Å; V55-F68 HydrophobicContact CG2-CD1 3.82Å; V55-F68 HydrophobicContact CG2-CE1 3.89Å; L66-F68 HydrophobicContact CD2-CE2 3.94Å; L66-F68 HydrophobicContact CD2-CZ 3.98Å; L66-F68 HydrophobicContact CG-CE2 3.99Å; L66-F68 HydrophobicContact CG-CZ 4.37Å; L66-F68 WeakPolarHBondContact O-CD2 3.47Å; F68-M70 HydrophobicContact CB-SD 4.1Å; F68-M70 PolarHBondContact O-N 3.37Å; F68-F83 AromaticContact CD1-CD1 3.72Å; F68-F83 HydrophobicContact CD1-CD1 3.72Å; F68-F83 AromaticContact CD1-CE1 3.68Å; F68-F83 HydrophobicContact CD1-CE1 3.68Å; F68-F83 HydrophobicContact CD1-CZ 4.48Å; F68-F83 AromaticContact CE1-CD1 3.92Å; F68-F83 HydrophobicContact CE1-CD1 3.92Å; F68-F83 AromaticContact CE1-CE1 3.77Å; F68-F83 HydrophobicContact CE1-CE1 3.77Å; F68-F83 HydrophobicContact CG-CD1 4.38Å
69D98.8Very high96.2Very high5 Ų541.5 Ų41.53%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-76.999.7177.1-175.525.9000109.9K30 S31 L34 T50 Y53 N54 C67K30-D69 WeakPolarHBondContact CB-OD1 3.22Å; S31-D69 VanDerWaalsContact CB-OD2 3.28Å; S31-D69 WeakPolarHBondContact CB-OD2 3.45Å; S31-D69 PolarHBondContact OG-OD1 3.12Å; S31-D69 PolarHBondContact OG-OD2 3.06Å; L34-D69 HydrophobicContact CD1-CB 3.5Å; T50-D69 PolarHBondContact OG1-OD2 3.16Å; Y53-D69 CarbonylContact C-O 3.57Å; Y53-D69 WeakPolarHBondContact CA-O 3.38Å; Y53-D69 WeakPolarHBondContact CB-O 3.48Å; N54-D69 HydrophobicContact CB-CB 4.36Å; N54-D69 PolarHBondContact N-O 2.83Å; N54-D69 PolarHBondContact O-N 2.81Å; C67-D69 PolarHBondContact O-N 3.22Å
70M98.8Very high96.4Very high0 Ų033.7 Ų33.70%019%0.193CC..EExtended strand (participates in β ladder)trans-87.6139.8-175.4-54.7-53.9-64.900111.3L21 V22 I23 K30 Y53 F68 G72 L79 W80 F83L21-M70 HydrophobicContact CD1-CG 3.44Å; L21-M70 VanDerWaalsContact CD1-CG 3.44Å; L21-M70 HydrophobicContact CD1-SD 3.73Å; L21-M70 HydrophobicContact CG-CG 4.36Å; V22-M70 WeakPolarHBondContact O-CB 3.44Å; V22-M70 PolarHBondContact O-N 3.44Å; I23-M70 HydrophobicContact CG2-CB 3.7Å; I23-M70 HydrophobicContact CG2-CG 3.5Å; K30-M70 WeakPolarHBondContact CE-O 3.45Å; Y53-M70 VanDerWaalsContact CB-SD 3.54Å; Y53-M70 HydrophobicContact CG-CE 4.45Å; Y53-M70 HydrophobicContact CG-SD 4.3Å; F68-M70 HydrophobicContact CB-SD 4.1Å; F68-M70 PolarHBondContact O-N 3.37Å; M70-G72 PolarHBondContact O-N 2.83Å; M70-L79 HydrophobicContact CE-CB 4.13Å; M70-L79 HydrophobicContact CE-CD2 4.07Å; M70-L79 HydrophobicContact CE-CG 3.71Å; M70-W80 HydrophobicContact CB-CG 4.5Å; M70-F83 HydrophobicContact CE-CD2 3.53Å; M70-F83 HydrophobicContact CE-CE2 3.56Å; M70-F83 HydrophobicContact SD-CD2 3.97Å; M70-F83 HydrophobicContact SD-CE2 4.18Å
71S98.7Very high96.6Very high7 Ų738 Ų385%0.04921%0.212CC..  trans-61.7135.7167.8-171.10000110.5T50 G52 S73 Y76 W80T50-S71 WeakPolarHBondContact O-CB 3.3Å; T50-S71 PolarHBondContact O-OG 3.1Å; G52-S71 WeakPolarHBondContact O-CB 3.48Å; G52-S71 PolarHBondContact O-N 3.05Å; S71-S73 PolarHBondContact OG-OG 3.02Å; S71-Y76 WeakPolarHBondContact OG-CD2 3.43Å; S71-W80 PolarHBondContact O-NE1 2.84Å
72G98.4Very high96.9Very high2 Ų242 Ų422%0.02122%0.221CC..  trans-100.42.817900000114.8G24 D26 M70 R77G24-G72 VanDerWaalsContact O-CA 3.26Å; G24-G72 WeakPolarHBondContact O-CA 3.47Å; D26-G72 PolarHBondContact N-O 3.22Å; D26-G72 VanDerWaalsContact OD1-O 3.11Å; M70-G72 PolarHBondContact O-N 2.83Å; G72-R77 PolarHBondContact O-NE 3.14Å; G72-R77 PolarHBondContact O-NH2 2.74Å
73S97.8Very high97.5Very high31 Ų3138.9 Ų38.922%0.21721%0.207CC..SBendtrans-74.7147.9179.372.10000110.1S71 T75 Y76 R77S71-S73 PolarHBondContact OG-OG 3.02Å; S73-T75 PolarHBondContact O-N 3.02Å; S73-Y76 PolarHBondContact O-N 3.13Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.33Å; S73-R77 WeakPolarHBondContact O-CG 3.48Å; S73-R77 PolarHBondContact O-N 3.07Å
74G96.8Very high97.8Very high55 Ų5539.5 Ų39.557%0.56721%0.209SC*.G310 helixtrans-51.3-35-175.800000113.8Y76G74-Y76 PolarHBondContact O-N 3.29Å
75T97.5Very high97.9Very high109 Ų10944.9 Ų44.967%0.66923%0.232SC*.G310 helixtrans-58-29.4176.9-50.60000114.1S73S73-T75 PolarHBondContact O-N 3.02Å
76Y98Very high97.7Very high79 Ų7949.9 Ų49.931%0.3126%0.255SS..G310 helixtrans-118.7-2.2-170.6-62.9-64.8000114.8I51 S71 S73 G74 N78 L79I51-Y76 HydrophobicContact CG2-CE1 4.48Å; I51-Y76 HydrophobicContact CG2-CE2 4.41Å; S71-Y76 WeakPolarHBondContact OG-CD2 3.43Å; S73-Y76 PolarHBondContact O-N 3.13Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.33Å; G74-Y76 PolarHBondContact O-N 3.29Å; Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 2.85Å; Y76-L79 WeakPolarHBondContact O-CB 3.33Å; Y76-L79 PolarHBondContact O-N 3.19Å
77R98.3Very high97.7Very high39 Ų3949 Ų4915%0.14725%0.251CS..G310 helixtrans-63.5-30.8-175.8-64.6-174.3-162.1151.15.2113.7D26 G72 S73 L79 W80 E108D26-R77 IonicContact OD1-NH2 3.46Å; G72-R77 PolarHBondContact O-NE 3.14Å; G72-R77 PolarHBondContact O-NH2 2.74Å; S73-R77 WeakPolarHBondContact O-CG 3.48Å; S73-R77 PolarHBondContact O-N 3.07Å; R77-L79 PolarHBondContact O-N 3.36Å; R77-W80 HydrophobicContact CB-CD2 4.37Å; R77-W80 HydrophobicContact CB-CZ2 4.32Å; R77-W80 HydrophobicContact CG-CH2 4.12Å; R77-W80 HydrophobicContact CG-CZ2 3.79Å; R77-W80 VanDerWaalsContact O-CB 3.3Å; R77-W80 WeakPolarHBondContact O-CB 3.39Å; R77-W80 PolarHBondContact O-N 2.99Å; R77-E108 VanDerWaalsContact CD-CD 3.45Å; R77-E108 WeakPolarHBondContact CD-OE1 3.09Å; R77-E108 IonicContact CZ-OE1 3.08Å; R77-E108 IonicContact NE-OE1 2.69Å; R77-E108 IonicContact NH1-OE1 2.66Å; R77-E108 PolarHBondContact NH1-OE1 3.01Å
78N97.2Very high97.6Very high107 Ų10751.7 Ų51.757%0.57226%0.263SS*.G310 helixtrans-60.7-14.2171.469.5-28.1000113.5Y76 W80 E81Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 2.85Å; N78-W80 VanDerWaalsContact C-N 3.31Å; N78-E81 WeakPolarHBondContact O-CG 3.22Å
79L97.8Very high97.6Very high29 Ų2950.7 Ų50.715%0.15226%0.259CS..G310 helixtrans-75-22.9175-170.655.5000112.3Y53 M70 Y76 R77 E81 K82 F83Y53-L79 HydrophobicContact CD1-CD2 3.8Å; M70-L79 HydrophobicContact CE-CB 4.13Å; M70-L79 HydrophobicContact CE-CD2 4.07Å; M70-L79 HydrophobicContact CE-CG 3.71Å; Y76-L79 WeakPolarHBondContact O-CB 3.33Å; Y76-L79 PolarHBondContact O-N 3.19Å; R77-L79 PolarHBondContact O-N 3.36Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 3.13Å; L79-K82 HydrophobicContact CD1-CB 4.39Å; L79-K82 HydrophobicContact CD1-CD 3.64Å; L79-K82 HydrophobicContact CD1-CG 4.11Å; L79-K82 WeakPolarHBondContact O-CB 3.4Å; L79-K82 PolarHBondContact O-N 3.45Å; L79-F83 HydrophobicContact CD1-CE2 4.12Å; L79-F83 HydrophobicContact CG-CE2 4.05Å; L79-F83 WeakPolarHBondContact O-CD2 3.48Å
80W98.6Very high97.6Very high1 Ų150.4 Ų50.40%0.00426%0.257CS..G310 helixtrans-57.3-44.1-178-61.1-3000111.8I23 G24 M70 S71 R77 N78 K82 F83 Y84 E108I23-W80 HydrophobicContact CB-CD2 4.15Å; I23-W80 HydrophobicContact CB-CE3 4.35Å; I23-W80 HydrophobicContact CB-CZ2 4.38Å; I23-W80 HydrophobicContact CD1-CE3 4.49Å; I23-W80 HydrophobicContact CG2-CB 4.24Å; I23-W80 HydrophobicContact CG2-CD2 3.75Å; I23-W80 HydrophobicContact CG2-CE3 4.34Å; I23-W80 HydrophobicContact CG2-CG 3.7Å; G24-W80 WeakPolarHBondContact O-CZ2 3.26Å; M70-W80 HydrophobicContact CB-CG 4.5Å; S71-W80 PolarHBondContact O-NE1 2.84Å; R77-W80 HydrophobicContact CB-CD2 4.37Å; R77-W80 HydrophobicContact CB-CZ2 4.32Å; R77-W80 HydrophobicContact CG-CH2 4.12Å; R77-W80 HydrophobicContact CG-CZ2 3.79Å; R77-W80 VanDerWaalsContact O-CB 3.3Å; R77-W80 WeakPolarHBondContact O-CB 3.39Å; R77-W80 PolarHBondContact O-N 2.99Å; N78-W80 VanDerWaalsContact C-N 3.31Å; W80-K82 PolarHBondContact O-N 3.24Å; W80-F83 PolarHBondContact O-N 3.41Å; W80-Y84 VanDerWaalsContact C-CE1 3.45Å; W80-Y84 HydrophobicContact CB-CE1 3.83Å; W80-Y84 WeakPolarHBondContact O-CD1 3.48Å; W80-Y84 VanDerWaalsContact O-CE1 3.26Å; W80-Y84 WeakPolarHBondContact O-CE1 3.38Å; W80-E108 HydrophobicContact CH2-CB 4.46Å; W80-E108 HydrophobicContact CZ3-CB 4.04Å; W80-E108 HydrophobicContact CZ3-CG 4.44Å
81E98.2Very high97.6Very high98 Ų9850.5 Ų50.546%0.45826%0.258SS..G310 helixtrans-63.8-26.3-174.973.9-172.7-167.400113.6N78 L79 F83 Y84N78-E81 WeakPolarHBondContact O-CG 3.22Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 3.13Å; E81-F83 PolarHBondContact O-N 3.41Å; E81-F83 VanDerWaalsContact O-N 3.09Å; E81-Y84 VanDerWaalsContact CA-CD2 3.42Å; E81-Y84 VanDerWaalsContact CA-CE2 3.43Å; E81-Y84 HydrophobicContact CB-CD2 3.72Å; E81-Y84 HydrophobicContact CB-CE2 3.54Å; E81-Y84 HydrophobicContact CB-CG 4.41Å; E81-Y84 WeakPolarHBondContact O-CB 3.4Å; E81-Y84 PolarHBondContact O-N 3.12Å; E81-Y84 VanDerWaalsContact O-N 3.16Å
82K97.2Very high97.6Very high145 Ų14550.2 Ų50.263%0.6326%0.256SS*.G310 helixtrans-62.5-19.9176.8-56.6-160-169.4171.70113L79 W80L79-K82 HydrophobicContact CD1-CB 4.39Å; L79-K82 HydrophobicContact CD1-CD 3.64Å; L79-K82 HydrophobicContact CD1-CG 4.11Å; L79-K82 WeakPolarHBondContact O-CB 3.4Å; L79-K82 PolarHBondContact O-N 3.45Å; W80-K82 PolarHBondContact O-N 3.24Å
83F97.8Very high97.7Very high28 Ų2850.1 Ų50.112%0.12326%0.255CS..G310 helixtrans-106.9-4.3-178.8-61.9-85.5000113.6L21 Y53 F68 M70 L79 W80 E81 K85 E86 C87L21-F83 HydrophobicContact CD1-CB 3.79Å; L21-F83 HydrophobicContact CD1-CG 4.44Å; L21-F83 HydrophobicContact CD2-CB 4.49Å; Y53-F83 HydrophobicContact CD1-CE2 4.28Å; Y53-F83 HydrophobicContact CD1-CZ 4.03Å; Y53-F83 HydrophobicContact CD2-CZ 4.17Å; Y53-F83 HydrophobicContact CE1-CE2 4.41Å; Y53-F83 AromaticContact CE1-CZ 3.8Å; Y53-F83 HydrophobicContact CE1-CZ 3.8Å; Y53-F83 HydrophobicContact CE2-CE1 4.3Å; Y53-F83 AromaticContact CE2-CZ 3.95Å; Y53-F83 HydrophobicContact CE2-CZ 3.95Å; Y53-F83 HydrophobicContact CG-CE2 4.46Å; Y53-F83 HydrophobicContact CG-CZ 4.21Å; Y53-F83 AromaticContact CZ-CZ 3.75Å; F68-F83 AromaticContact CD1-CD1 3.72Å; F68-F83 HydrophobicContact CD1-CD1 3.72Å; F68-F83 AromaticContact CD1-CE1 3.68Å; F68-F83 HydrophobicContact CD1-CE1 3.68Å; F68-F83 HydrophobicContact CD1-CZ 4.48Å; F68-F83 AromaticContact CE1-CD1 3.92Å; F68-F83 HydrophobicContact CE1-CD1 3.92Å; F68-F83 AromaticContact CE1-CE1 3.77Å; F68-F83 HydrophobicContact CE1-CE1 3.77Å; F68-F83 HydrophobicContact CG-CD1 4.38Å; M70-F83 HydrophobicContact CE-CD2 3.53Å; M70-F83 HydrophobicContact CE-CE2 3.56Å; M70-F83 HydrophobicContact SD-CD2 3.97Å; M70-F83 HydrophobicContact SD-CE2 4.18Å; L79-F83 HydrophobicContact CD1-CE2 4.12Å; L79-F83 HydrophobicContact CG-CE2 4.05Å; L79-F83 WeakPolarHBondContact O-CD2 3.48Å; W80-F83 PolarHBondContact O-N 3.41Å; E81-F83 PolarHBondContact O-N 3.41Å; E81-F83 VanDerWaalsContact O-N 3.09Å; F83-K85 PolarHBondContact O-N 2.98Å; F83-E86 PolarHBondContact O-N 3.05Å; F83-C87 PolarHBondContact O-N 3.07Å; F83-C87 VanDerWaalsContact O-N 3.1Å
84Y98.4Very high97.7Very high14 Ų1448.7 Ų48.76%0.05525%0.245CC..THydrogen-bonded Turntrans-60.7-44.1-176.7-72-6.7000112.9L21 W80 E81 E86 C87 L112 H115 I118 R121L21-Y84 HydrophobicContact CD2-CD1 3.51Å; L21-Y84 HydrophobicContact CD2-CE1 3.63Å; W80-Y84 VanDerWaalsContact C-CE1 3.45Å; W80-Y84 HydrophobicContact CB-CE1 3.83Å; W80-Y84 WeakPolarHBondContact O-CD1 3.48Å; W80-Y84 VanDerWaalsContact O-CE1 3.26Å; W80-Y84 WeakPolarHBondContact O-CE1 3.38Å; E81-Y84 VanDerWaalsContact CA-CD2 3.42Å; E81-Y84 VanDerWaalsContact CA-CE2 3.43Å; E81-Y84 HydrophobicContact CB-CD2 3.72Å; E81-Y84 HydrophobicContact CB-CE2 3.54Å; E81-Y84 HydrophobicContact CB-CG 4.41Å; E81-Y84 WeakPolarHBondContact O-CB 3.4Å; E81-Y84 PolarHBondContact O-N 3.12Å; E81-Y84 VanDerWaalsContact O-N 3.16Å; Y84-E86 PolarHBondContact O-N 3.41Å; Y84-C87 PolarHBondContact O-SG 3.19Å; Y84-L112 HydrophobicContact CD1-CD1 4.02Å; Y84-L112 HydrophobicContact CE1-CD1 3.37Å; Y84-L112 HydrophobicContact CE2-CD1 4Å; Y84-H115 HydrophobicContact CD2-CB 3.88Å; Y84-H115 AromaticContact CD2-CD2 4Å; Y84-H115 AromaticContact CD2-CG 3.53Å; Y84-H115 AromaticContact CD2-ND1 3.55Å; Y84-H115 HydrophobicContact CE2-CB 3.94Å; Y84-H115 AromaticContact CE2-CG 3.86Å; Y84-I118 HydrophobicContact CD1-CD1 3.97Å; Y84-I118 HydrophobicContact CD1-CG1 4.19Å; Y84-I118 HydrophobicContact CD2-CD1 4.29Å; Y84-I118 HydrophobicContact CD2-CG1 3.71Å; Y84-I118 HydrophobicContact CE2-CG1 4.35Å; Y84-I118 HydrophobicContact CG-CD1 3.67Å; Y84-I118 HydrophobicContact CG-CG1 3.63Å; Y84-R121 PolarHBondContact O-NH1 2.87Å
85K96.2Very high97.8Very high149 Ų14946.6 Ų46.665%0.64822%0.22SC*.THydrogen-bonded Turntrans-60.2-33.6-178.8-171.7174-179.6177.70112.8F83 D117 R121F83-K85 PolarHBondContact O-N 2.98Å; K85-D117 HydrophobicContact CB-CB 4.27Å; K85-R121 PolarHBondContact O-NH1 2.94Å; K85-R121 PolarHBondContact O-NH2 2.78Å
86E93.1Very high97.9Very high105 Ų10541.4 Ų41.449%0.49119%0.189SC..THydrogen-bonded Turntrans-96.4-21.7-172.2-60.2-172.4-165.800114K19 F83 Y84K19-E86 HydrophobicContact CD-CB 4.06Å; K19-E86 IonicContact NZ-OE2 3.75Å; K19-E86 PolarHBondContact NZ-OE2 3.35Å; F83-E86 PolarHBondContact O-N 3.05Å; Y84-E86 PolarHBondContact O-N 3.41Å
87C97.4Very high97.9Very high4 Ų439.8 Ų39.83%0.02719%0.189CC..  trans-69136.8-177.571.80000111.5L21 F83 Y84 R121L21-C87 HydrophobicContact CB-CB 3.78Å; F83-C87 PolarHBondContact O-N 3.07Å; F83-C87 VanDerWaalsContact O-N 3.1Å; Y84-C87 PolarHBondContact O-SG 3.19Å; C87-R121 PolarHBondContact O-NH2 2.9Å
88E96.6Very high97.9Very high57 Ų5739.3 Ų39.327%0.26619%0.189SC..SBendtrans-94.9-18.7174.8-71.6173.4-94.300112K16 V18 K19 P124 L181K16-E88 WeakPolarHBondContact CE-OE2 3.13Å; K16-E88 IonicContact NZ-OE2 3.7Å; K16-E88 PolarHBondContact NZ-OE2 2.92Å; V18-E88 WeakPolarHBondContact CA-OE1 3.37Å; V18-E88 HydrophobicContact CG1-CB 3.66Å; V18-E88 HydrophobicContact CG1-CG 4.42Å; K19-E88 PolarHBondContact N-OE1 3.46Å; K19-E88 PolarHBondContact O-N 3.27Å; E88-P124 WeakPolarHBondContact O-CD 3.25Å; E88-L181 HydrophobicContact CB-CD2 4.27Å
89A98.5Very high97.8Very high0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-150.4158.9177.100000110.8K19 V20 L21 P124 L177 L181K19-A89 PolarHBondContact O-N 3.4Å; V20-A89 WeakPolarHBondContact CA-O 3.46Å; V20-A89 HydrophobicContact CG1-CB 4.39Å; V20-A89 HydrophobicContact CG2-CB 4.3Å; L21-A89 PolarHBondContact N-O 2.87Å; A89-P124 HydrophobicContact CB-CG 4.08Å; A89-L177 HydrophobicContact CB-CD1 3.87Å; A89-L177 HydrophobicContact CB-CD2 4.11Å; A89-L177 HydrophobicContact CB-CG 4.26Å; A89-L181 HydrophobicContact CB-CD1 4.27Å; A89-L181 HydrophobicContact CB-CD2 4.14Å
90I98.9Very high97.8Very high0 Ų047.5 Ų47.50%023%0.228CC..EExtended strand (participates in β ladder)trans-122.1136.5174.3-63.2178.8000109.6L21 I23 L112 I118 I123 P124 I125 L126L21-I90 HydrophobicContact CB-CG1 4.39Å; L21-I90 CarbonylContact O-C 3.59Å; L21-I90 WeakPolarHBondContact O-CA 3.25Å; I23-I90 HydrophobicContact CD1-CG2 3.9Å; I23-I90 HydrophobicContact CG1-CG2 3.87Å; I90-L112 HydrophobicContact CD1-CD1 3.83Å; I90-L112 HydrophobicContact CD1-CD2 4.07Å; I90-L112 HydrophobicContact CD1-CG 4.33Å; I90-L112 HydrophobicContact CG2-CD2 4.48Å; I90-I118 HydrophobicContact CD1-CD1 4.01Å; I90-I123 HydrophobicContact CD1-CD1 3.57Å; I90-I123 HydrophobicContact CG1-CD1 3.9Å; I90-P124 PolarHBondContact N-O 3.11Å; I90-I125 HydrophobicContact CB-CG1 4.33Å; I90-I125 HydrophobicContact CB-CG2 4.42Å; I90-I125 HydrophobicContact CG2-CG2 4.3Å; I90-I125 WeakPolarHBondContact O-CA 3.48Å; I90-L126 PolarHBondContact O-N 3.24Å
91I99Very high97.8Very high2 Ų250.2 Ų50.21%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-108.2116.3161.2-59.6178.8000107.2V20 L21 V22 I23 V93 L126 F128 L174 L177V20-I91 HydrophobicContact CG1-CD1 3.8Å; V20-I91 HydrophobicContact CG1-CG1 3.68Å; L21-I91 PolarHBondContact O-N 3.4Å; V22-I91 WeakPolarHBondContact CA-O 3.28Å; V22-I91 HydrophobicContact CG1-CB 4.25Å; V22-I91 HydrophobicContact CG1-CG2 4.29Å; V22-I91 HydrophobicContact CG2-CB 4.24Å; V22-I91 HydrophobicContact CG2-CD1 4.35Å; I23-I91 PolarHBondContact N-O 2.97Å; I91-V93 HydrophobicContact CG2-CG2 3.98Å; I91-L126 CarbonylContact C-O 3.54Å; I91-L126 VanDerWaalsContact CA-O 3.28Å; I91-L126 WeakPolarHBondContact CA-O 3.4Å; I91-L126 HydrophobicContact CD1-CD2 4.29Å; I91-L126 HydrophobicContact CG1-CB 4.28Å; I91-L126 HydrophobicContact CG1-CD2 4.12Å; I91-F128 HydrophobicContact CG2-CD2 3.67Å; I91-F128 HydrophobicContact CG2-CE2 3.86Å; I91-L174 HydrophobicContact CD1-CD2 3.96Å; I91-L177 HydrophobicContact CD1-CD2 4.17Å; I91-L177 HydrophobicContact CG1-CD2 3.88Å
92Y98.9Very high97.7Very high0 Ų046.5 Ų46.50%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7117.1178-161.8-91.3000110I23 V94 V105 F109 L112 L126 L127 F128I23-Y92 HydrophobicContact CD1-CD2 3.79Å; I23-Y92 HydrophobicContact CD1-CE2 4.15Å; I23-Y92 HydrophobicContact CG1-CD2 3.8Å; I23-Y92 HydrophobicContact CG1-CE2 4.38Å; I23-Y92 CarbonylContact O-C 3.51Å; I23-Y92 WeakPolarHBondContact O-CA 3.19Å; Y92-V94 HydrophobicContact CD1-CG2 3.92Å; Y92-V94 HydrophobicContact CE1-CG2 4Å; Y92-V105 HydrophobicContact CE1-CG1 3.83Å; Y92-V105 PolarHBondContact OH-O 2.8Å; Y92-F109 AromaticContact CD1-CD2 3.95Å; Y92-F109 HydrophobicContact CD1-CD2 3.95Å; Y92-F109 HydrophobicContact CD1-CE2 4.46Å; Y92-F109 AromaticContact CD2-CD2 3.83Å; Y92-F109 HydrophobicContact CD2-CD2 3.83Å; Y92-F109 HydrophobicContact CD2-CE2 4.4Å; Y92-F109 HydrophobicContact CE1-CB 4.2Å; Y92-F109 AromaticContact CE1-CD2 3.94Å; Y92-F109 HydrophobicContact CE1-CD2 3.94Å; Y92-F109 HydrophobicContact CE1-CG 4.43Å; Y92-F109 HydrophobicContact CE2-CB 4.33Å; Y92-F109 AromaticContact CE2-CD2 3.86Å; Y92-F109 HydrophobicContact CE2-CD2 3.86Å; Y92-F109 AromaticContact CG-CD2 3.89Å; Y92-F109 HydrophobicContact CG-CD2 3.89Å; Y92-F109 HydrophobicContact CG-CE2 4.22Å; Y92-F109 AromaticContact CZ-CD2 3.91Å; Y92-F109 PolarHBondContact OH-N 3.3Å; Y92-L112 HydrophobicContact CD2-CD2 4.13Å; Y92-L112 HydrophobicContact CE2-CD2 4.39Å; Y92-L126 PolarHBondContact N-O 3.43Å; Y92-L127 HydrophobicContact CD1-CD2 4.35Å; Y92-L127 VanDerWaalsContact O-CA 3.25Å; Y92-L127 WeakPolarHBondContact O-CA 3.26Å; Y92-F128 PolarHBondContact O-N 2.9Å
93V99Very high97.8Very high1 Ų144.5 Ų44.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-107.6117.4-173.2-172.80000110.2V22 I23 S28 K30 I33 I91 F128 N130V22-V93 HydrophobicContact CG1-CG2 4.45Å; I23-V93 PolarHBondContact O-N 3.12Å; S28-V93 VanDerWaalsContact CB-O 3.28Å; S28-V93 WeakPolarHBondContact CB-O 3.36Å; S28-V93 VanDerWaalsContact O-CG1 3.31Å; S28-V93 WeakPolarHBondContact O-CG1 3.31Å; S28-V93 PolarHBondContact OG-O 3.12Å; S28-V93 VanDerWaalsContact OG-O 3.13Å; K30-V93 HydrophobicContact CG-CB 3.76Å; K30-V93 HydrophobicContact CG-CG1 4.43Å; K30-V93 HydrophobicContact CG-CG2 3.72Å; I33-V93 HydrophobicContact CD1-CG1 3.73Å; I33-V93 HydrophobicContact CD1-CG2 3.94Å; I91-V93 HydrophobicContact CG2-CG2 3.98Å; V93-F128 HydrophobicContact CG1-CB 4.39Å; V93-F128 HydrophobicContact CG2-CB 4.48Å; V93-F128 HydrophobicContact CG2-CD2 4.44Å; V93-N130 HydrophobicContact CG1-CB 3.88Å
94V98.9Very high97.8Very high1 Ų145.4 Ų45.41%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-101.3132.2176.6-177.80000108.7Y92 S96 L102 V105 F128 N130 I143 L147Y92-V94 HydrophobicContact CD1-CG2 3.92Å; Y92-V94 HydrophobicContact CE1-CG2 4Å; V94-S96 PolarHBondContact O-N 3.46Å; V94-L102 HydrophobicContact CG1-CD2 4.47Å; V94-V105 HydrophobicContact CG1-CG1 4.15Å; V94-V105 HydrophobicContact CG2-CG1 3.85Å; V94-F128 PolarHBondContact N-O 3.03Å; V94-N130 PolarHBondContact O-N 3.35Å; V94-I143 HydrophobicContact CB-CD1 4.37Å; V94-I143 HydrophobicContact CG1-CD1 3.94Å; V94-I143 HydrophobicContact CG1-CG1 4.3Å; V94-I143 HydrophobicContact CG1-CG2 4.46Å; V94-I143 HydrophobicContact CG2-CG2 4.2Å; V94-L147 HydrophobicContact CG2-CD1 4.31Å
95D98.7Very high97.8Very high10 Ų1045.2 Ų45.25%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-77.5109.5166.9-168.6-23.6000108.7S97 D98 K131D95-S97 PolarHBondContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CB 3.28Å; D95-S97 PolarHBondContact OD1-N 2.81Å; D95-S97 PolarHBondContact OD1-OG 2.85Å; D95-D98 HydrophobicContact CB-CB 3.88Å; D95-D98 PolarHBondContact O-N 3.43Å; D95-K131 WeakPolarHBondContact OD1-CD 3.39Å; D95-K131 IonicContact OD1-NZ 3.96Å; D95-K131 VanDerWaalsContact OD2-CE 3.25Å; D95-K131 WeakPolarHBondContact OD2-CE 3.31Å; D95-K131 IonicContact OD2-NZ 2.67Å; D95-K131 PolarHBondContact OD2-NZ 2.97Å
96S98.8Very high97.9Very high0 Ų041.8 Ų41.80%022%0.216CC..THydrogen-bonded Turntrans-74.3-14.1-179.2-43.10000111.9V94 A129 N130 M132 S137 I138V94-S96 PolarHBondContact O-N 3.46Å; S96-A129 WeakPolarHBondContact OG-CA 3.5Å; S96-A129 WeakPolarHBondContact OG-CB 3.33Å; S96-N130 WeakPolarHBondContact CB-O 3.29Å; S96-N130 PolarHBondContact N-O 2.81Å; S96-N130 PolarHBondContact OG-N 3.42Å; S96-N130 PolarHBondContact OG-O 3.04Å; S96-M132 VanDerWaalsContact CB-SD 3.59Å; S96-M132 PolarHBondContact OG-SD 2.81Å; S96-M132 VanDerWaalsContact OG-SD 3.36Å; S96-S137 CarbonylContact O-C 3.47Å; S96-S137 VanDerWaalsContact O-CA 3.26Å; S96-S137 WeakPolarHBondContact O-CA 3.37Å; S96-I138 VanDerWaalsContact O-CD1 3.32Å; S96-I138 WeakPolarHBondContact O-CD1 3.19Å; S96-I138 VanDerWaalsContact O-CG1 3.29Å; S96-I138 WeakPolarHBondContact O-CG1 3.26Å; S96-I138 PolarHBondContact O-N 3Å
97S98.2Very high98.2Very high46 Ų4640.9 Ų40.932%0.32221%0.214SC..THydrogen-bonded Turntrans-89.4-3.8177.269.50000114D95 L134D95-S97 PolarHBondContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CB 3.28Å; D95-S97 PolarHBondContact OD1-N 2.81Å; D95-S97 PolarHBondContact OD1-OG 2.85Å; S97-L134 WeakPolarHBondContact OG-CD1 3.37Å
98D97.8Very high98.3Very high28 Ų2842 Ų4215%0.1522%0.219CC..  trans-112.472.6-171-166.2-15.3000112.2D95 L100 R101D95-D98 HydrophobicContact CB-CB 3.88Å; D95-D98 PolarHBondContact O-N 3.43Å; D98-L100 PolarHBondContact O-N 2.81Å; D98-R101 PolarHBondContact O-N 2.75Å; D98-R101 PolarHBondContact OD1-N 3.15Å; D98-R101 IonicContact OD1-NE 3.21Å; D98-R101 IonicContact OD2-CZ 3.79Å; D98-R101 IonicContact OD2-NE 2.88Å; D98-R101 PolarHBondContact OD2-NE 2.83Å; D98-R101 IonicContact OD2-NH2 3.92Å; D98-R101 PolarHBondContact OD2-NH2 2.83Å
99E96.4Very high98.4Very high147 Ų14739.3 Ų39.369%0.68721%0.206SC*.G310 helixtrans-60.5-33.4177.9-169-177.9175.200112.5R101 L102 I138E99-R101 PolarHBondContact O-N 2.9Å; E99-R101 VanDerWaalsContact O-N 3.16Å; E99-L102 HydrophobicContact CG-CD1 4.24Å; E99-L102 PolarHBondContact O-N 3.36Å; E99-I138 HydrophobicContact CB-CD1 4.27Å
100L97.7Very high98.4Very high162 Ų16241.6 Ų41.685%0.84822%0.217SC*.G310 helixtrans-62.8-26.4-175.3-63.4178000113.3D98D98-L100 PolarHBondContact O-N 2.81Å
101R98.1Very high98.3Very high57 Ų5746.3 Ų46.322%0.21524%0.239CC..G310 helixtrans-107.78.6-177.4-63.4-167.6-66.2165.94.4114L25 D26 D98 E99 T103 V104 V105L25-R101 HydrophobicContact CD1-CB 3.9Å; D26-R101 VanDerWaalsContact CG-NH1 3.3Å; D26-R101 PolarHBondContact O-NH2 2.99Å; D26-R101 IonicContact OD1-NH1 2.75Å; D26-R101 PolarHBondContact OD1-NH1 3.33Å; D26-R101 IonicContact OD2-CZ 2.64Å; D26-R101 IonicContact OD2-NH1 3.93Å; D26-R101 PolarHBondContact OD2-NH1 3.49Å; D98-R101 PolarHBondContact O-N 2.75Å; D98-R101 PolarHBondContact OD1-N 3.15Å; D98-R101 IonicContact OD1-NE 3.21Å; D98-R101 IonicContact OD2-CZ 3.79Å; D98-R101 IonicContact OD2-NE 2.88Å; D98-R101 PolarHBondContact OD2-NE 2.83Å; D98-R101 IonicContact OD2-NH2 3.92Å; D98-R101 PolarHBondContact OD2-NH2 2.83Å; E99-R101 PolarHBondContact O-N 2.9Å; E99-R101 VanDerWaalsContact O-N 3.16Å; R101-T103 VanDerWaalsContact C-N 3.28Å; R101-T103 PolarHBondContact O-N 3.46Å; R101-V104 WeakPolarHBondContact O-CA 3.45Å; R101-V104 WeakPolarHBondContact O-CB 3.46Å; R101-V104 PolarHBondContact O-N 3.46Å; R101-V105 WeakPolarHBondContact O-CG2 3.3Å; R101-V105 PolarHBondContact O-N 2.98Å
102L97.1Very high98.3Very high21 Ų2146.2 Ų46.211%0.1124%0.239CC..Hα-helixtrans-58.2-36.3-178.6-84176.7000114.1V94 E99 V104 V105 E106 I138 I146V94-L102 HydrophobicContact CG1-CD2 4.47Å; E99-L102 HydrophobicContact CG-CD1 4.24Å; E99-L102 PolarHBondContact O-N 3.36Å; L102-V104 VanDerWaalsContact C-N 3.28Å; L102-V104 PolarHBondContact O-N 2.87Å; L102-V105 WeakPolarHBondContact O-CB 3Å; L102-V105 PolarHBondContact O-N 3.34Å; L102-E106 PolarHBondContact O-N 2.92Å; L102-I138 HydrophobicContact CD1-CD1 3.4Å; L102-I138 VanDerWaalsContact CD1-CD1 3.4Å; L102-I138 HydrophobicContact CD1-CG1 4.09Å; L102-I138 HydrophobicContact CD1-CG2 4.37Å; L102-I138 HydrophobicContact CD2-CD1 3.88Å; L102-I138 HydrophobicContact CG-CD1 3.71Å; L102-I146 HydrophobicContact CD1-CD1 3.45Å; L102-I146 VanDerWaalsContact CD1-CD1 3.45Å; L102-I146 HydrophobicContact CD2-CD1 4.16Å; L102-I146 HydrophobicContact CG-CD1 4.28Å
103T97.9Very high98.2Very high102 Ų10247.3 Ų47.363%0.62624%0.244SC*.Hα-helixtrans-64-35.4175.353.60000112.1R101 D107R101-T103 VanDerWaalsContact C-N 3.28Å; R101-T103 PolarHBondContact O-N 3.46Å; T103-D107 WeakPolarHBondContact O-CB 3.43Å; T103-D107 PolarHBondContact O-N 3.3Å
104V98.7Very high98.1Very high48 Ų4854.5 Ų54.529%0.29128%0.275SS..Hα-helixtrans-70.5-41.2173.8-173.50000110.2L25 R101 L102 E106 D107 E108L25-V104 HydrophobicContact CD1-CB 4Å; L25-V104 HydrophobicContact CD1-CG1 3.94Å; L25-V104 HydrophobicContact CD2-CG1 4.01Å; R101-V104 WeakPolarHBondContact O-CA 3.45Å; R101-V104 WeakPolarHBondContact O-CB 3.46Å; R101-V104 PolarHBondContact O-N 3.46Å; L102-V104 VanDerWaalsContact C-N 3.28Å; L102-V104 PolarHBondContact O-N 2.87Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 3.5Å; V104-D107 PolarHBondContact O-N 3Å; V104-E108 HydrophobicContact CG1-CG 4.27Å; V104-E108 WeakPolarHBondContact O-CB 3.16Å; V104-E108 WeakPolarHBondContact O-CG 3.43Å; V104-E108 PolarHBondContact O-N 2.9Å
105V98.8Very high98.1Very high9 Ų956.7 Ų56.76%0.05529%0.285CS..Hα-helixtrans-58.7-44.2174.9179.90000110.8L25 Y92 V94 R101 L102 F109 L147L25-V105 HydrophobicContact CD1-CG2 3.51Å; L25-V105 HydrophobicContact CG-CG2 3.84Å; Y92-V105 HydrophobicContact CE1-CG1 3.83Å; Y92-V105 PolarHBondContact OH-O 2.8Å; V94-V105 HydrophobicContact CG1-CG1 4.15Å; V94-V105 HydrophobicContact CG2-CG1 3.85Å; R101-V105 WeakPolarHBondContact O-CG2 3.3Å; R101-V105 PolarHBondContact O-N 2.98Å; L102-V105 WeakPolarHBondContact O-CB 3Å; L102-V105 PolarHBondContact O-N 3.34Å; V105-F109 WeakPolarHBondContact O-CB 3.28Å; V105-F109 PolarHBondContact O-N 2.88Å; V105-F109 VanDerWaalsContact O-N 3.12Å; V105-L147 HydrophobicContact CG1-CD2 4.16Å
106E98.6Very high98Very high78 Ų7860 Ų6036%0.36431%0.308SS..Hα-helixtrans-63.5-51.6177.4-175.6-175.7-177.200111.3L102 V104 E108 F109 Q110 I146 L147L102-E106 PolarHBondContact O-N 2.92Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 3.5Å; E106-E108 PolarHBondContact O-N 3.12Å; E106-F109 PolarHBondContact O-N 2.98Å; E106-F109 VanDerWaalsContact O-N 3.13Å; E106-Q110 HydrophobicContact CG-CG 4.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.46Å; E106-Q110 PolarHBondContact O-N 3.42Å; E106-I146 HydrophobicContact CB-CG2 4.09Å; E106-I146 VanDerWaalsContact CD-O 3.29Å; E106-I146 HydrophobicContact CG-CG2 4.49Å; E106-I146 WeakPolarHBondContact CG-O 3.42Å; E106-L147 HydrophobicContact CB-CD2 4.38Å
107D98.6Very high98Very high86 Ų8662.6 Ų62.646%0.4632%0.321SS..Hα-helixtrans-58.4-48.1-177.6-175.655.6000111.8T103 V104 F109 Q110 Q111T103-D107 WeakPolarHBondContact O-CB 3.43Å; T103-D107 PolarHBondContact O-N 3.3Å; V104-D107 PolarHBondContact O-N 3Å; D107-F109 VanDerWaalsContact C-N 3.32Å; D107-F109 PolarHBondContact O-N 2.83Å; D107-Q110 PolarHBondContact O-N 3.05Å; D107-Q111 WeakPolarHBondContact O-CB 3.45Å; D107-Q111 VanDerWaalsContact O-CG 3.3Å; D107-Q111 WeakPolarHBondContact O-CG 3.31Å; D107-Q111 PolarHBondContact O-N 2.95Å; D107-Q111 PolarHBondContact OD2-NE2 3.36Å
108E98.7Very high97.9Very high27 Ų2760.4 Ų60.413%0.12631%0.306CS..Hα-helixtrans-60.7-39.3176.5-67.2-69.7175.900112.3L25 R77 W80 V104 E106 L112L25-E108 HydrophobicContact CD2-CG 3.99Å; R77-E108 VanDerWaalsContact CD-CD 3.45Å; R77-E108 WeakPolarHBondContact CD-OE1 3.09Å; R77-E108 IonicContact CZ-OE1 3.08Å; R77-E108 IonicContact NE-OE1 2.69Å; R77-E108 IonicContact NH1-OE1 2.66Å; R77-E108 PolarHBondContact NH1-OE1 3.01Å; W80-E108 HydrophobicContact CH2-CB 4.46Å; W80-E108 HydrophobicContact CZ3-CB 4.04Å; W80-E108 HydrophobicContact CZ3-CG 4.44Å; V104-E108 HydrophobicContact CG1-CG 4.27Å; V104-E108 WeakPolarHBondContact O-CB 3.16Å; V104-E108 WeakPolarHBondContact O-CG 3.43Å; V104-E108 PolarHBondContact O-N 2.9Å; E106-E108 PolarHBondContact O-N 3.12Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 3.27Å
109F98.7Very high97.8Very high0 Ų060.7 Ų60.70%031%0.31CS..Hα-helixtrans-68.6-39.9176.6-172.2-106.3000111.9Y92 V105 E106 D107 L112 L113 I125 L127 L147 L149Y92-F109 AromaticContact CD1-CD2 3.95Å; Y92-F109 HydrophobicContact CD1-CD2 3.95Å; Y92-F109 HydrophobicContact CD1-CE2 4.46Å; Y92-F109 AromaticContact CD2-CD2 3.83Å; Y92-F109 HydrophobicContact CD2-CD2 3.83Å; Y92-F109 HydrophobicContact CD2-CE2 4.4Å; Y92-F109 HydrophobicContact CE1-CB 4.2Å; Y92-F109 AromaticContact CE1-CD2 3.94Å; Y92-F109 HydrophobicContact CE1-CD2 3.94Å; Y92-F109 HydrophobicContact CE1-CG 4.43Å; Y92-F109 HydrophobicContact CE2-CB 4.33Å; Y92-F109 AromaticContact CE2-CD2 3.86Å; Y92-F109 HydrophobicContact CE2-CD2 3.86Å; Y92-F109 AromaticContact CG-CD2 3.89Å; Y92-F109 HydrophobicContact CG-CD2 3.89Å; Y92-F109 HydrophobicContact CG-CE2 4.22Å; Y92-F109 AromaticContact CZ-CD2 3.91Å; Y92-F109 PolarHBondContact OH-N 3.3Å; V105-F109 WeakPolarHBondContact O-CB 3.28Å; V105-F109 PolarHBondContact O-N 2.88Å; V105-F109 VanDerWaalsContact O-N 3.12Å; E106-F109 PolarHBondContact O-N 2.98Å; E106-F109 VanDerWaalsContact O-N 3.13Å; D107-F109 VanDerWaalsContact C-N 3.32Å; D107-F109 PolarHBondContact O-N 2.83Å; F109-L112 HydrophobicContact CD2-CD2 4.18Å; F109-L112 HydrophobicContact CE2-CD2 4.39Å; F109-L112 WeakPolarHBondContact O-CB 3.28Å; F109-L112 PolarHBondContact O-N 3.43Å; F109-L113 HydrophobicContact CD1-CD1 3.82Å; F109-L113 HydrophobicContact CD1-CG 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE1-CG 3.97Å; F109-L113 HydrophobicContact CZ-CD1 3.95Å; F109-L113 HydrophobicContact CZ-CD2 4.27Å; F109-L113 HydrophobicContact CZ-CG 4.17Å; F109-L113 WeakPolarHBondContact O-CG 3.39Å; F109-L113 PolarHBondContact O-N 3.13Å; F109-I125 HydrophobicContact CE2-CG2 4.27Å; F109-L127 HydrophobicContact CE2-CD2 4.27Å; F109-L127 HydrophobicContact CZ-CD2 4.44Å; F109-L147 HydrophobicContact CB-CD2 3.91Å; F109-L147 HydrophobicContact CD1-CB 3.98Å; F109-L147 HydrophobicContact CD1-CD1 4.4Å; F109-L147 HydrophobicContact CD1-CD2 4.05Å; F109-L147 HydrophobicContact CD1-CG 4.37Å; F109-L147 HydrophobicContact CE1-CB 4.1Å; F109-L147 HydrophobicContact CG-CD1 4.43Å; F109-L147 HydrophobicContact CG-CD2 4.08Å; F109-L149 HydrophobicContact CE1-CD2 3.51Å; F109-L149 HydrophobicContact CZ-CD2 3.49Å; F109-L149 VanDerWaalsContact CZ-CD2 3.49Å
110Q98.2Very high97.8Very high49 Ų4959.9 Ų59.923%0.22931%0.31CS..Hα-helixtrans-68.2-38.8176-65.3-52.4-39.400111.9E106 D107 L113 K114 L147E106-Q110 HydrophobicContact CG-CG 4.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.46Å; E106-Q110 PolarHBondContact O-N 3.42Å; D107-Q110 PolarHBondContact O-N 3.05Å; Q110-L113 PolarHBondContact O-N 2.87Å; Q110-K114 WeakPolarHBondContact O-CB 3.39Å; Q110-K114 WeakPolarHBondContact O-CD 3.38Å; Q110-K114 VanDerWaalsContact O-CG 3.23Å; Q110-K114 WeakPolarHBondContact O-CG 3.39Å; Q110-K114 PolarHBondContact O-N 2.92Å; Q110-L147 PolarHBondContact NE2-O 3.21Å; Q110-L147 VanDerWaalsContact NE2-O 3.12Å
111Q98.3Very high97.6Very high99 Ų9955.7 Ų55.746%0.46328%0.283SS..Hα-helixtrans-60.3-48173.5-72.9-174.257.500111D107 L113 K114 H115D107-Q111 WeakPolarHBondContact O-CB 3.45Å; D107-Q111 VanDerWaalsContact O-CG 3.3Å; D107-Q111 WeakPolarHBondContact O-CG 3.31Å; D107-Q111 PolarHBondContact O-N 2.95Å; D107-Q111 PolarHBondContact OD2-NE2 3.36Å; Q111-L113 PolarHBondContact O-N 3.25Å; Q111-K114 PolarHBondContact O-N 2.91Å; Q111-H115 PolarHBondContact O-N 2.81Å; Q111-H115 VanDerWaalsContact O-N 3.16Å
112L98.3Very high97.4Very high0 Ų063.7 Ų63.70%031%0.313CS..Hα-helixtrans-53.1-50.9172.8169.872.8000111.8I23 Y84 I90 Y92 E108 F109 K114 H115 I118I23-L112 HydrophobicContact CD1-CD1 3.89Å; I23-L112 HydrophobicContact CD1-CD2 3.61Å; I23-L112 HydrophobicContact CD1-CG 4.31Å; Y84-L112 HydrophobicContact CD1-CD1 4.02Å; Y84-L112 HydrophobicContact CE1-CD1 3.37Å; Y84-L112 HydrophobicContact CE2-CD1 4Å; I90-L112 HydrophobicContact CD1-CD1 3.83Å; I90-L112 HydrophobicContact CD1-CD2 4.07Å; I90-L112 HydrophobicContact CD1-CG 4.33Å; I90-L112 HydrophobicContact CG2-CD2 4.48Å; Y92-L112 HydrophobicContact CD2-CD2 4.13Å; Y92-L112 HydrophobicContact CE2-CD2 4.39Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 3.27Å; F109-L112 HydrophobicContact CD2-CD2 4.18Å; F109-L112 HydrophobicContact CE2-CD2 4.39Å; F109-L112 WeakPolarHBondContact O-CB 3.28Å; F109-L112 PolarHBondContact O-N 3.43Å; L112-K114 VanDerWaalsContact C-N 3.28Å; L112-K114 PolarHBondContact O-N 3.02Å; L112-H115 PolarHBondContact O-N 3.26Å; L112-I118 HydrophobicContact CD1-CD1 4.31Å; L112-I118 HydrophobicContact CD1-CG1 3.93Å; L112-I118 VanDerWaalsContact O-CB 3.31Å; L112-I118 WeakPolarHBondContact O-CB 3.47Å; L112-I118 WeakPolarHBondContact O-CG2 3.36Å
113L97.7Very high97.3Very high22 Ų2263 Ų6312%0.11531%0.31CS..Hα-helixtrans-66.1-28.9-176.2-74.7-176.4000113.6F109 Q110 Q111 C119 I125 L152 K155F109-L113 HydrophobicContact CD1-CD1 3.82Å; F109-L113 HydrophobicContact CD1-CG 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE1-CG 3.97Å; F109-L113 HydrophobicContact CZ-CD1 3.95Å; F109-L113 HydrophobicContact CZ-CD2 4.27Å; F109-L113 HydrophobicContact CZ-CG 4.17Å; F109-L113 WeakPolarHBondContact O-CG 3.39Å; F109-L113 PolarHBondContact O-N 3.13Å; Q110-L113 PolarHBondContact O-N 2.87Å; Q111-L113 PolarHBondContact O-N 3.25Å; L113-C119 WeakPolarHBondContact O-CB 3.45Å; L113-I125 HydrophobicContact CD2-CD1 3.71Å; L113-L152 HydrophobicContact CD1-CD1 4.08Å; L113-L152 HydrophobicContact CD1-CD2 4.4Å; L113-L152 HydrophobicContact CD2-CD1 4.12Å; L113-L152 HydrophobicContact CD2-CD2 4.19Å; L113-K155 HydrophobicContact CD2-CD 3.82Å
114K97Very high97.3Very high152 Ų15258.5 Ų58.566%0.66128%0.282SS*.Hα-helixtrans-83.1-21179.8-70.9168.6-172.2171.70113.1Q110 Q111 L112Q110-K114 WeakPolarHBondContact O-CB 3.39Å; Q110-K114 WeakPolarHBondContact O-CD 3.38Å; Q110-K114 VanDerWaalsContact O-CG 3.23Å; Q110-K114 WeakPolarHBondContact O-CG 3.39Å; Q110-K114 PolarHBondContact O-N 2.92Å; Q111-K114 PolarHBondContact O-N 2.91Å; L112-K114 VanDerWaalsContact C-N 3.28Å; L112-K114 PolarHBondContact O-N 3.02Å
115H98.2Very high97.3Very high47 Ų4756.2 Ų56.222%0.21827%0.268CS..SBendtrans-61.1134.6-174.8-168.7-82.5000112.1Y84 Q111 L112 D117 I118 C119Y84-H115 HydrophobicContact CD2-CB 3.88Å; Y84-H115 AromaticContact CD2-CD2 4Å; Y84-H115 AromaticContact CD2-CG 3.53Å; Y84-H115 AromaticContact CD2-ND1 3.55Å; Y84-H115 HydrophobicContact CE2-CB 3.94Å; Y84-H115 AromaticContact CE2-CG 3.86Å; Q111-H115 PolarHBondContact O-N 2.81Å; Q111-H115 VanDerWaalsContact O-N 3.16Å; L112-H115 PolarHBondContact O-N 3.26Å; H115-D117 VanDerWaalsContact C-N 3.31Å; H115-D117 IonicContact CE1-OD2 2.76Å; H115-D117 PolarHBondContact CE1-OD2 2.69Å; H115-D117 PolarHBondContact ND1-N 3.02Å; H115-D117 VanDerWaalsContact ND1-N 3.2Å; H115-D117 PolarHBondContact O-N 3.24Å; H115-I118 HydrophobicContact CB-CG1 4.38Å; H115-I118 CarbonylContact O-C 3.54Å; H115-I118 WeakPolarHBondContact O-CA 3.46Å; H115-I118 PolarHBondContact O-N 3.06Å; H115-C119 PolarHBondContact O-N 2.89Å; H115-C119 PolarHBondContact O-SG 2.86Å; H115-C119 VanDerWaalsContact O-SG 3.4Å
116P96.8Very high97.3Very high80 Ų8055.8 Ų55.852%0.51927%0.266SS..Hα-helixtrans-54.1-39-175.6-29.336.2000115.4I118 N120P116-I118 PolarHBondContact O-N 3.16Å; P116-N120 PolarHBondContact O-ND2 2.97Å; P116-N120 VanDerWaalsContact O-ND2 3.11Å
117D97.3Very high97.3Very high54 Ų5452 Ų5229%0.28925%0.248SC..Hα-helixtrans-71.7-7.9177.5-70.3-33.6000114.1K85 H115 R121K85-D117 HydrophobicContact CB-CB 4.27Å; H115-D117 VanDerWaalsContact C-N 3.31Å; H115-D117 IonicContact CE1-OD2 2.76Å; H115-D117 PolarHBondContact CE1-OD2 2.69Å; H115-D117 PolarHBondContact ND1-N 3.02Å; H115-D117 VanDerWaalsContact ND1-N 3.2Å; H115-D117 PolarHBondContact O-N 3.24Å; D117-R121 WeakPolarHBondContact O-CD 3.42Å; D117-R121 PolarHBondContact O-NH1 3.48Å
118I97.8Very high97.4Very high0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-113.3-55.3176.9-58.4-59.9000110.1Y84 I90 L112 H115 P116 N120 R121 I123 K155Y84-I118 HydrophobicContact CD1-CD1 3.97Å; Y84-I118 HydrophobicContact CD1-CG1 4.19Å; Y84-I118 HydrophobicContact CD2-CD1 4.29Å; Y84-I118 HydrophobicContact CD2-CG1 3.71Å; Y84-I118 HydrophobicContact CE2-CG1 4.35Å; Y84-I118 HydrophobicContact CG-CD1 3.67Å; Y84-I118 HydrophobicContact CG-CG1 3.63Å; I90-I118 HydrophobicContact CD1-CD1 4.01Å; L112-I118 HydrophobicContact CD1-CD1 4.31Å; L112-I118 HydrophobicContact CD1-CG1 3.93Å; L112-I118 VanDerWaalsContact O-CB 3.31Å; L112-I118 WeakPolarHBondContact O-CB 3.47Å; L112-I118 WeakPolarHBondContact O-CG2 3.36Å; H115-I118 HydrophobicContact CB-CG1 4.38Å; H115-I118 CarbonylContact O-C 3.54Å; H115-I118 WeakPolarHBondContact O-CA 3.46Å; H115-I118 PolarHBondContact O-N 3.06Å; P116-I118 PolarHBondContact O-N 3.16Å; I118-N120 VanDerWaalsContact C-N 3.25Å; I118-N120 PolarHBondContact O-N 3.31Å; I118-R121 PolarHBondContact O-N 2.89Å; I118-R121 VanDerWaalsContact O-O 3.09Å; I118-I123 HydrophobicContact CD1-CD1 3.57Å; I118-I123 HydrophobicContact CG2-CD1 4.12Å; I118-K155 PolarHBondContact O-NZ 3.42Å
119C95.7Very high97.4Very high34 Ų3446.7 Ų46.723%0.2322%0.22CC..Hα-helixtrans-59-34.8-170.171.70000113.1L113 H115 R121 N154L113-C119 WeakPolarHBondContact O-CB 3.45Å; H115-C119 PolarHBondContact O-N 2.89Å; H115-C119 PolarHBondContact O-SG 2.86Å; H115-C119 VanDerWaalsContact O-SG 3.4Å; C119-R121 VanDerWaalsContact C-N 3.3Å; C119-R121 PolarHBondContact O-N 3.36Å; C119-N154 PolarHBondContact O-ND2 3.48Å
120N94.8Very high97.4Very high130 Ų13046.8 Ų46.870%0.69522%0.221SC*.THydrogen-bonded Turntrans-83.7-2.5-179.1-63.8-44.4000113.7P116 I118P116-N120 PolarHBondContact O-ND2 2.97Å; P116-N120 VanDerWaalsContact O-ND2 3.11Å; I118-N120 VanDerWaalsContact C-N 3.25Å; I118-N120 PolarHBondContact O-N 3.31Å
121R94.4Very high97.4Very high75 Ų7546 Ų4628%0.28322%0.217SC..SBendtrans-118.3139.3-175.6-70171.658.4-135.18.3111.6Y84 K85 C87 D117 I118 C119 I123 K155Y84-R121 PolarHBondContact O-NH1 2.87Å; K85-R121 PolarHBondContact O-NH1 2.94Å; K85-R121 PolarHBondContact O-NH2 2.78Å; C87-R121 PolarHBondContact O-NH2 2.9Å; D117-R121 WeakPolarHBondContact O-CD 3.42Å; D117-R121 PolarHBondContact O-NH1 3.48Å; I118-R121 PolarHBondContact O-N 2.89Å; I118-R121 VanDerWaalsContact O-O 3.09Å; C119-R121 VanDerWaalsContact C-N 3.3Å; C119-R121 PolarHBondContact O-N 3.36Å; R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 HydrophobicContact CB-CG2 4.19Å; R121-I123 PolarHBondContact O-N 2.84Å; R121-I123 VanDerWaalsContact O-N 3.09Å; R121-K155 PolarHBondContact O-NZ 3.27Å
122R93.7Very high97.4Very high224 Ų22444 Ų4485%0.84521%0.208SC*.  trans-85.861.9175.3-66.2-174.6176.6146.11.1111.1
123I95.1Very high97.3Very high8 Ų848.3 Ų48.34%0.04123%0.231CC..  trans-86.1136.6173.662.1178.4000110.2I90 I118 R121I90-I123 HydrophobicContact CD1-CD1 3.57Å; I90-I123 HydrophobicContact CG1-CD1 3.9Å; I118-I123 HydrophobicContact CD1-CD1 3.57Å; I118-I123 HydrophobicContact CG2-CD1 4.12Å; R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 HydrophobicContact CB-CG2 4.19Å; R121-I123 PolarHBondContact O-N 2.84Å; R121-I123 VanDerWaalsContact O-N 3.09Å
124P98.1Very high97.3Very high6 Ų650.4 Ų50.44%0.03924%0.242CC..  trans-71.3143.1173.829.3-34.6000111.6E88 A89 I90 S156 W176 L177 Q180 L181E88-P124 WeakPolarHBondContact O-CD 3.25Å; A89-P124 HydrophobicContact CB-CG 4.08Å; I90-P124 PolarHBondContact N-O 3.11Å; P124-S156 VanDerWaalsContact CA-O 3.3Å; P124-S156 WeakPolarHBondContact CA-O 3.37Å; P124-W176 HydrophobicContact CB-CH2 4.32Å; P124-L177 HydrophobicContact CB-CD1 3.86Å; P124-L177 HydrophobicContact CG-CD1 3.78Å; P124-Q180 HydrophobicContact CB-CB 3.72Å; P124-Q180 HydrophobicContact CB-CG 4.01Å; P124-Q180 HydrophobicContact CG-CB 3.95Å; P124-L181 HydrophobicContact CG-CD2 4.33Å; P124-L181 HydrophobicContact CG-CG 4.46Å
125I98.8Very high97.2Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-118.6109.5176.8-54.3-177.7000109.2I90 F109 L113 L127 K155 S156 W157 R158 W176I90-I125 HydrophobicContact CB-CG1 4.33Å; I90-I125 HydrophobicContact CB-CG2 4.42Å; I90-I125 HydrophobicContact CG2-CG2 4.3Å; I90-I125 WeakPolarHBondContact O-CA 3.48Å; F109-I125 HydrophobicContact CE2-CG2 4.27Å; L113-I125 HydrophobicContact CD2-CD1 3.71Å; I125-L127 HydrophobicContact CG2-CD1 3.9Å; I125-L127 HydrophobicContact CG2-CG 4.21Å; I125-K155 HydrophobicContact CD1-CD 3.56Å; I125-K155 HydrophobicContact CG1-CD 4.22Å; I125-S156 PolarHBondContact N-O 3.21Å; I125-W157 HydrophobicContact CB-CB 4.32Å; I125-W157 WeakPolarHBondContact O-CA 3.32Å; I125-W157 WeakPolarHBondContact O-CB 3.4Å; I125-R158 PolarHBondContact O-N 3.41Å; I125-W176 WeakPolarHBondContact O-CH2 3.36Å
126L98.9Very high96.8Very high0 Ų053.5 Ų53.50%027%0.273CS..EExtended strand (participates in β ladder)trans-85.5129.6167.3172.660.7000108.4I90 I91 Y92 F128 F160 G173 L174 W176 L177I90-L126 PolarHBondContact O-N 3.24Å; I91-L126 CarbonylContact C-O 3.54Å; I91-L126 VanDerWaalsContact CA-O 3.28Å; I91-L126 WeakPolarHBondContact CA-O 3.4Å; I91-L126 HydrophobicContact CD1-CD2 4.29Å; I91-L126 HydrophobicContact CG1-CB 4.28Å; I91-L126 HydrophobicContact CG1-CD2 4.12Å; Y92-L126 PolarHBondContact N-O 3.43Å; L126-F128 HydrophobicContact CD1-CZ 4.5Å; L126-F128 HydrophobicContact CD2-CE1 4.49Å; L126-F128 HydrophobicContact CD2-CE2 3.67Å; L126-F128 HydrophobicContact CD2-CZ 3.67Å; L126-F128 HydrophobicContact CG-CE2 4.16Å; L126-F128 HydrophobicContact CG-CZ 4.25Å; L126-F160 HydrophobicContact CD1-CD2 3.51Å; L126-F160 HydrophobicContact CD1-CE2 3.79Å; L126-G173 VanDerWaalsContact CD2-C 3.45Å; L126-G173 WeakPolarHBondContact CD2-O 3.44Å; L126-L174 HydrophobicContact CD2-CD2 4.39Å; L126-W176 HydrophobicContact CB-CE3 4.14Å; L126-W176 HydrophobicContact CB-CZ3 3.81Å; L126-W176 HydrophobicContact CD1-CE3 3.95Å; L126-W176 HydrophobicContact CD1-CZ3 4.32Å; L126-L177 HydrophobicContact CB-CB 4.46Å; L126-L177 HydrophobicContact CB-CD1 4.3Å; L126-L177 HydrophobicContact CB-CD2 4.19Å; L126-L177 HydrophobicContact CD2-CB 4.25Å; L126-L177 HydrophobicContact CD2-CD2 4.25Å
127L98.9Very high96.8Very high0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-109.9138.6171.4-6094.5000110.5Y92 F109 I125 L147 L149 W157 R158 I159 F160Y92-L127 HydrophobicContact CD1-CD2 4.35Å; Y92-L127 VanDerWaalsContact O-CA 3.25Å; Y92-L127 WeakPolarHBondContact O-CA 3.26Å; F109-L127 HydrophobicContact CE2-CD2 4.27Å; F109-L127 HydrophobicContact CZ-CD2 4.44Å; I125-L127 HydrophobicContact CG2-CD1 3.9Å; I125-L127 HydrophobicContact CG2-CG 4.21Å; L127-L147 HydrophobicContact CD2-CD1 3.48Å; L127-L147 VanDerWaalsContact CD2-CD1 3.48Å; L127-L149 HydrophobicContact CD1-CD1 4.04Å; L127-L149 HydrophobicContact CD1-CD2 4.32Å; L127-L149 HydrophobicContact CD2-CD1 3.95Å; L127-L149 HydrophobicContact CD2-CD2 4.28Å; L127-W157 HydrophobicContact CD1-CB 4.24Å; L127-R158 PolarHBondContact N-O 3.21Å; L127-I159 HydrophobicContact CB-CB 3.91Å; L127-I159 HydrophobicContact CB-CD1 4.13Å; L127-I159 HydrophobicContact CB-CG1 3.84Å; L127-I159 CarbonylContact O-C 3.59Å; L127-I159 VanDerWaalsContact O-CA 3.31Å; L127-I159 WeakPolarHBondContact O-CA 3.43Å; L127-F160 PolarHBondContact O-N 3.18Å
128F98.9Very high96.8Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-111118.2165.8-73.6-60.3000109.1I33 I91 Y92 V93 V94 L126 N130 F160 L170I33-F128 HydrophobicContact CD1-CB 4.16Å; I33-F128 HydrophobicContact CD1-CD2 3.94Å; I33-F128 HydrophobicContact CD1-CG 4.19Å; I33-F128 HydrophobicContact CG2-CE2 4.33Å; I91-F128 HydrophobicContact CG2-CD2 3.67Å; I91-F128 HydrophobicContact CG2-CE2 3.86Å; Y92-F128 PolarHBondContact O-N 2.9Å; V93-F128 HydrophobicContact CG1-CB 4.39Å; V93-F128 HydrophobicContact CG2-CB 4.48Å; V93-F128 HydrophobicContact CG2-CD2 4.44Å; V94-F128 PolarHBondContact N-O 3.03Å; L126-F128 HydrophobicContact CD1-CZ 4.5Å; L126-F128 HydrophobicContact CD2-CE1 4.49Å; L126-F128 HydrophobicContact CD2-CE2 3.67Å; L126-F128 HydrophobicContact CD2-CZ 3.67Å; L126-F128 HydrophobicContact CG-CE2 4.16Å; L126-F128 HydrophobicContact CG-CZ 4.25Å; F128-N130 PolarHBondContact O-N 3.25Å; F128-F160 WeakPolarHBondContact CA-O 3.24Å; F128-F160 HydrophobicContact CD1-CB 4.08Å; F128-F160 HydrophobicContact CE1-CB 4.12Å; F128-L170 HydrophobicContact CD1-CD2 4.19Å; F128-L170 HydrophobicContact CE1-CD2 3.95Å; F128-L170 HydrophobicContact CE2-CD2 4.37Å; F128-L170 HydrophobicContact CZ-CD2 4.03Å
129A98.9Very high96.8Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-80.891.8159.800000106.3S96 M132 V140 I143 I159 F160 A161 S162S96-A129 WeakPolarHBondContact OG-CA 3.5Å; S96-A129 WeakPolarHBondContact OG-CB 3.33Å; A129-M132 HydrophobicContact CB-SD 4.11Å; A129-M132 WeakPolarHBondContact O-CG 3.31Å; A129-V140 HydrophobicContact CB-CG2 3.89Å; A129-I143 HydrophobicContact CB-CD1 3.51Å; A129-I159 HydrophobicContact CB-CD1 4.17Å; A129-I159 HydrophobicContact CB-CG1 4.32Å; A129-F160 PolarHBondContact N-O 3.16Å; A129-A161 CarbonylContact O-C 3.6Å; A129-S162 PolarHBondContact O-N 3.09Å
130N98.9Very high96.9Very high2 Ų252.2 Ų52.21%0.01127%0.266CS..EExtended strand (participates in β ladder)trans-91.9162.2-170.7-170.641.2000112S28 I33 V93 V94 S96 F128 S162 A164S28-N130 PolarHBondContact O-ND2 3.43Å; I33-N130 HydrophobicContact CD1-CB 4.45Å; V93-N130 HydrophobicContact CG1-CB 3.88Å; V94-N130 PolarHBondContact O-N 3.35Å; S96-N130 WeakPolarHBondContact CB-O 3.29Å; S96-N130 PolarHBondContact N-O 2.81Å; S96-N130 PolarHBondContact OG-N 3.42Å; S96-N130 PolarHBondContact OG-O 3.04Å; F128-N130 PolarHBondContact O-N 3.25Å; N130-S162 CarbonylContact C-O 3.49Å; N130-S162 WeakPolarHBondContact CA-O 3.13Å; N130-S162 VanDerWaalsContact CA-OG 3.31Å; N130-S162 WeakPolarHBondContact CA-OG 3.21Å; N130-S162 WeakPolarHBondContact CB-OG 3.32Å; N130-S162 PolarHBondContact OD1-O 2.85Å; N130-S162 PolarHBondContact OD1-OG 3.35Å; N130-S162 VanDerWaalsContact OD1-OG 3.09Å; N130-A164 PolarHBondContact OD1-N 3.48Å
131K98.6Very high97.1Very high33 Ų3351.3 Ų51.314%0.14326%0.26CS..  trans65.436.9-177.7-45.6-168.6-168169.60113.7N27 D95 D133 L134 S162N27-K131 PolarHBondContact ND2-NZ 2.68Å; N27-K131 WeakPolarHBondContact O-CE 3.43Å; N27-K131 PolarHBondContact O-NZ 2.81Å; N27-K131 PolarHBondContact OD1-NZ 3.09Å; D95-K131 WeakPolarHBondContact OD1-CD 3.39Å; D95-K131 IonicContact OD1-NZ 3.96Å; D95-K131 VanDerWaalsContact OD2-CE 3.25Å; D95-K131 WeakPolarHBondContact OD2-CE 3.31Å; D95-K131 IonicContact OD2-NZ 2.67Å; D95-K131 PolarHBondContact OD2-NZ 2.97Å; K131-D133 VanDerWaalsContact C-OD1 3.3Å; K131-D133 WeakPolarHBondContact CA-OD1 2.89Å; K131-D133 PolarHBondContact O-N 2.7Å; K131-L134 HydrophobicContact CB-CD1 3.85Å; K131-L134 HydrophobicContact CB-CG 4.13Å; K131-L134 HydrophobicContact CD-CD1 3.88Å; K131-L134 HydrophobicContact CG-CD1 4.48Å; K131-L134 WeakPolarHBondContact O-CB 3.16Å; K131-L134 PolarHBondContact O-N 3.41Å; K131-L134 VanDerWaalsContact O-N 3.12Å; K131-S162 PolarHBondContact N-O 3.1Å
132M98Very high97.3Very high56 Ų5652 Ų5228%0.27627%0.266SS..THydrogen-bonded Turntrans-67.8-13.1179.7-65.3-65-56.300113.5S96 A129 L134 S137 A161 S162S96-M132 VanDerWaalsContact CB-SD 3.59Å; S96-M132 PolarHBondContact OG-SD 2.81Å; S96-M132 VanDerWaalsContact OG-SD 3.36Å; A129-M132 HydrophobicContact CB-SD 4.11Å; A129-M132 WeakPolarHBondContact O-CG 3.31Å; M132-L134 VanDerWaalsContact C-N 3.28Å; M132-S137 PolarHBondContact O-OG 2.77Å; M132-A161 HydrophobicContact CE-CB 4.38Å; M132-A161 HydrophobicContact CG-CB 3.85Å; M132-S162 PolarHBondContact N-O 2.98Å
133D97.3Very high97.5Very high91 Ų9141.4 Ų41.449%0.48723%0.226SC..THydrogen-bonded Turntrans-73-17.9172.358.3-57.8000113.6K131 N163K131-D133 VanDerWaalsContact C-OD1 3.3Å; K131-D133 WeakPolarHBondContact CA-OD1 2.89Å; K131-D133 PolarHBondContact O-N 2.7Å; D133-N163 VanDerWaalsContact CB-ND2 3.32Å; D133-N163 WeakPolarHBondContact CB-ND2 3.38Å; D133-N163 PolarHBondContact OD1-ND2 2.83Å; D133-N163 PolarHBondContact OD2-ND2 2.92Å
134L98Very high97.7Very high66 Ų6641.7 Ų41.735%0.34623%0.228SC..SBendtrans-80.9146.6-179.1-62.1-175.7000111.8S97 K131 M132 S137S97-L134 WeakPolarHBondContact OG-CD1 3.37Å; K131-L134 HydrophobicContact CB-CD1 3.85Å; K131-L134 HydrophobicContact CB-CG 4.13Å; K131-L134 HydrophobicContact CD-CD1 3.88Å; K131-L134 HydrophobicContact CG-CD1 4.48Å; K131-L134 WeakPolarHBondContact O-CB 3.16Å; K131-L134 PolarHBondContact O-N 3.41Å; K131-L134 VanDerWaalsContact O-N 3.12Å; M132-L134 VanDerWaalsContact C-N 3.28Å; L134-S137 WeakPolarHBondContact O-CB 3.44Å; L134-S137 PolarHBondContact O-N 3.36Å; L134-S137 PolarHBondContact O-OG 2.8Å
135P93.7Very high97.7Very high107 Ų10748 Ų4870%0.69526%0.255SS*.THydrogen-bonded Turntrans-63.2148.9177.927.7-35.2000111.1S137P135-S137 PolarHBondContact O-N 3.42Å
136N91Very high97.6Very high157 Ų15750.2 Ų50.284%0.8427%0.267SS*.THydrogen-bonded Turntrans57.328.9-178.3-50.4-39.1000113.6I138N136-I138 PolarHBondContact O-N 3.26Å
137S96.4Very high97.6Very high30 Ų3050.3 Ų50.321%0.2127%0.267CS..PPolyproline II helixtrans-63.3130.5173.5520000111.1S96 M132 L134 P135 T139S96-S137 CarbonylContact O-C 3.47Å; S96-S137 VanDerWaalsContact O-CA 3.26Å; S96-S137 WeakPolarHBondContact O-CA 3.37Å; M132-S137 PolarHBondContact O-OG 2.77Å; L134-S137 WeakPolarHBondContact O-CB 3.44Å; L134-S137 PolarHBondContact O-N 3.36Å; L134-S137 PolarHBondContact O-OG 2.8Å; P135-S137 PolarHBondContact O-N 3.42Å; S137-T139 PolarHBondContact O-N 2.93Å
138I97.2Very high97.5Very high12 Ų1251.3 Ų51.36%0.06228%0.277CS..PPolyproline II helixtrans-61130.5175-56.3148.6000108.1S96 E99 L102 N136 E142 I143S96-I138 VanDerWaalsContact O-CD1 3.32Å; S96-I138 WeakPolarHBondContact O-CD1 3.19Å; S96-I138 VanDerWaalsContact O-CG1 3.29Å; S96-I138 WeakPolarHBondContact O-CG1 3.26Å; S96-I138 PolarHBondContact O-N 3Å; E99-I138 HydrophobicContact CB-CD1 4.27Å; L102-I138 HydrophobicContact CD1-CD1 3.4Å; L102-I138 VanDerWaalsContact CD1-CD1 3.4Å; L102-I138 HydrophobicContact CD1-CG1 4.09Å; L102-I138 HydrophobicContact CD1-CG2 4.37Å; L102-I138 HydrophobicContact CD2-CD1 3.88Å; L102-I138 HydrophobicContact CG-CD1 3.71Å; N136-I138 PolarHBondContact O-N 3.26Å; I138-E142 HydrophobicContact CG2-CB 3.61Å; I138-I143 HydrophobicContact CB-CG1 4.44Å; I138-I143 HydrophobicContact CG2-CD1 4.44Å; I138-I143 HydrophobicContact CG2-CG1 3.81Å
139T97.7Very high97.4Very high61 Ų6151.4 Ų51.437%0.37428%0.278SS..PPolyproline II helixtrans-70.9154.5-176.366.80000111.3S137 I141 E142 I143S137-T139 PolarHBondContact O-N 2.93Å; T139-I141 PolarHBondContact O-N 2.72Å; T139-I141 VanDerWaalsContact O-N 3.16Å; T139-E142 WeakPolarHBondContact CB-OE2 3.47Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.41Å; T139-E142 PolarHBondContact N-OE2 3.27Å; T139-E142 PolarHBondContact O-N 3.4Å; T139-E142 VanDerWaalsContact OG1-CD 3.29Å; T139-E142 VanDerWaalsContact OG1-CG 3.31Å; T139-E142 WeakPolarHBondContact OG1-CG 3.31Å; T139-E142 PolarHBondContact OG1-N 2.82Å; T139-E142 PolarHBondContact OG1-OE2 2.82Å; T139-I143 PolarHBondContact O-N 2.84Å
140V98.4Very high97.3Very high38 Ų3857.3 Ų57.323%0.2331%0.305CS..Hα-helixtrans-52.8-37.4172.3171.20000111.7A129 I143 V144 I159 A161A129-V140 HydrophobicContact CB-CG2 3.89Å; V140-I143 PolarHBondContact O-N 3.44Å; V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CB 3.41Å; V140-V144 WeakPolarHBondContact O-CG2 3.35Å; V140-V144 PolarHBondContact O-N 3.36Å; V140-I159 HydrophobicContact CG1-CB 4.23Å; V140-I159 HydrophobicContact CG1-CD1 4.1Å; V140-I159 HydrophobicContact CG1-CG1 3.96Å; V140-I159 HydrophobicContact CG1-CG2 3.34Å; V140-A161 HydrophobicContact CG2-CB 3.93Å
141I98.1Very high97Very high111 Ų11165.5 Ų65.557%0.56934%0.341SS*.Hα-helixtrans-66.9-41.2179.8-63.7170.3000110.9T139 V144 K145T139-I141 PolarHBondContact O-N 2.72Å; T139-I141 VanDerWaalsContact O-N 3.16Å; I141-V144 PolarHBondContact O-N 3.38Å; I141-K145 WeakPolarHBondContact O-CG 3.46Å; I141-K145 PolarHBondContact O-N 2.84Å; I141-K145 VanDerWaalsContact O-N 3.13Å
142E98.2Very high96.8Very high90 Ų9065.1 Ų65.142%0.42134%0.34SS..Hα-helixtrans-66.2-44.3176.3-72.8161141.200111.2I138 T139 V144 K145 I146I138-E142 HydrophobicContact CG2-CB 3.61Å; T139-E142 WeakPolarHBondContact CB-OE2 3.47Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.41Å; T139-E142 PolarHBondContact N-OE2 3.27Å; T139-E142 PolarHBondContact O-N 3.4Å; T139-E142 VanDerWaalsContact OG1-CD 3.29Å; T139-E142 VanDerWaalsContact OG1-CG 3.31Å; T139-E142 WeakPolarHBondContact OG1-CG 3.31Å; T139-E142 PolarHBondContact OG1-N 2.82Å; T139-E142 PolarHBondContact OG1-OE2 2.82Å; E142-V144 VanDerWaalsContact C-N 3.3Å; E142-V144 PolarHBondContact O-N 2.86Å; E142-K145 WeakPolarHBondContact O-CB 3.28Å; E142-K145 PolarHBondContact O-N 2.83Å; E142-K145 VanDerWaalsContact O-N 3.12Å; E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.12Å; E142-I146 PolarHBondContact O-N 3.48Å
143I98.7Very high96.3Very high1 Ų172.3 Ų72.31%0.00536%0.364CS..Hα-helixtrans-59.7-41.6175.6-65.6167.2000111V94 A129 I138 T139 V140 K145 I146 L147 I159V94-I143 HydrophobicContact CB-CD1 4.37Å; V94-I143 HydrophobicContact CG1-CD1 3.94Å; V94-I143 HydrophobicContact CG1-CG1 4.3Å; V94-I143 HydrophobicContact CG1-CG2 4.46Å; V94-I143 HydrophobicContact CG2-CG2 4.2Å; A129-I143 HydrophobicContact CB-CD1 3.51Å; I138-I143 HydrophobicContact CB-CG1 4.44Å; I138-I143 HydrophobicContact CG2-CD1 4.44Å; I138-I143 HydrophobicContact CG2-CG1 3.81Å; T139-I143 PolarHBondContact O-N 2.84Å; V140-I143 PolarHBondContact O-N 3.44Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 3.18Å; I143-I146 PolarHBondContact O-N 2.58Å; I143-L147 HydrophobicContact CG2-CD1 3.77Å; I143-L147 HydrophobicContact CG2-CG 4.16Å; I143-L147 WeakPolarHBondContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 3.34Å; I143-I159 HydrophobicContact CB-CD1 4.01Å; I143-I159 HydrophobicContact CG2-CD1 3.58Å
144V98.6Very high95.9Very high15 Ų1571.3 Ų71.39%0.09136%0.359CS..Hα-helixtrans-58.4-42.6175.8164.20000111.9V140 I141 E142 G148 L149 E150 W157 I159V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CB 3.41Å; V140-V144 WeakPolarHBondContact O-CG2 3.35Å; V140-V144 PolarHBondContact O-N 3.36Å; I141-V144 PolarHBondContact O-N 3.38Å; E142-V144 VanDerWaalsContact C-N 3.3Å; E142-V144 PolarHBondContact O-N 2.86Å; V144-G148 PolarHBondContact O-N 3.14Å; V144-L149 HydrophobicContact CB-CD1 4.45Å; V144-L149 HydrophobicContact CG1-CB 4.3Å; V144-L149 HydrophobicContact CG2-CD1 4Å; V144-L149 PolarHBondContact O-N 3.03Å; V144-E150 HydrophobicContact CG1-CG 3.76Å; V144-W157 HydrophobicContact CG1-CH2 4.23Å; V144-W157 HydrophobicContact CG2-CH2 4.44Å; V144-W157 HydrophobicContact CG2-CZ3 4.25Å; V144-I159 HydrophobicContact CG2-CG2 3.66Å
145K98.3Very high95.7Very high137 Ų13768.8 Ų68.860%0.59635%0.345SS*.Hα-helixtrans-68.4-49.1177.7-71.7173.5-178.1177.30111.7I141 E142 I143 L147 G148I141-K145 WeakPolarHBondContact O-CG 3.46Å; I141-K145 PolarHBondContact O-N 2.84Å; I141-K145 VanDerWaalsContact O-N 3.13Å; E142-K145 WeakPolarHBondContact O-CB 3.28Å; E142-K145 PolarHBondContact O-N 2.83Å; E142-K145 VanDerWaalsContact O-N 3.12Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 3.18Å; K145-L147 PolarHBondContact O-N 3Å; K145-G148 PolarHBondContact O-N 2.73Å
146I97.5Very high95.8Very high48 Ų4866.5 Ų66.525%0.24633%0.332CS..Hα-helixtrans-58.9-47.2-179.4-69.1163.2000110.5L102 E106 E142 I143 G148L102-I146 HydrophobicContact CD1-CD1 3.45Å; L102-I146 VanDerWaalsContact CD1-CD1 3.45Å; L102-I146 HydrophobicContact CD2-CD1 4.16Å; L102-I146 HydrophobicContact CG-CD1 4.28Å; E106-I146 HydrophobicContact CB-CG2 4.09Å; E106-I146 VanDerWaalsContact CD-O 3.29Å; E106-I146 HydrophobicContact CG-CG2 4.49Å; E106-I146 WeakPolarHBondContact CG-O 3.42Å; E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.12Å; E142-I146 PolarHBondContact O-N 3.48Å; I143-I146 PolarHBondContact O-N 2.58Å; I146-G148 PolarHBondContact O-N 3.49Å
147L98.4Very high96.2Very high2 Ų262.5 Ų62.51%0.0131%0.305CS..THydrogen-bonded Turntrans-77-3.8179.9-63.6-174.1000113.7V94 V105 E106 F109 Q110 L127 I143 K145 L149V94-L147 HydrophobicContact CG2-CD1 4.31Å; V105-L147 HydrophobicContact CG1-CD2 4.16Å; E106-L147 HydrophobicContact CB-CD2 4.38Å; F109-L147 HydrophobicContact CB-CD2 3.91Å; F109-L147 HydrophobicContact CD1-CB 3.98Å; F109-L147 HydrophobicContact CD1-CD1 4.4Å; F109-L147 HydrophobicContact CD1-CD2 4.05Å; F109-L147 HydrophobicContact CD1-CG 4.37Å; F109-L147 HydrophobicContact CE1-CB 4.1Å; F109-L147 HydrophobicContact CG-CD1 4.43Å; F109-L147 HydrophobicContact CG-CD2 4.08Å; Q110-L147 PolarHBondContact NE2-O 3.21Å; Q110-L147 VanDerWaalsContact NE2-O 3.12Å; L127-L147 HydrophobicContact CD2-CD1 3.48Å; L127-L147 VanDerWaalsContact CD2-CD1 3.48Å; I143-L147 HydrophobicContact CG2-CD1 3.77Å; I143-L147 HydrophobicContact CG2-CG 4.16Å; I143-L147 WeakPolarHBondContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 3.34Å; K145-L147 PolarHBondContact O-N 3Å; L147-L149 HydrophobicContact CB-CD1 4.49Å; L147-L149 HydrophobicContact CB-CD2 4.09Å; L147-L149 HydrophobicContact CB-CG 3.86Å; L147-L149 PolarHBondContact O-N 3.35Å
148G97.2Very high96.3Very high21 Ų2167.1 Ų67.122%0.21632%0.318CS..THydrogen-bonded Turntrans61.727.9-178.800000113.7V144 K145 I146 E150 K151V144-G148 PolarHBondContact O-N 3.14Å; K145-G148 PolarHBondContact O-N 2.73Å; I146-G148 PolarHBondContact O-N 3.49Å; G148-E150 PolarHBondContact O-N 3.2Å; G148-K151 WeakPolarHBondContact O-CB 3.33Å; G148-K151 PolarHBondContact O-N 2.83Å
149L97.5Very high96.3Very high1 Ų167.6 Ų67.61%0.00532%0.32CS..G310 helixtrans-60.6-32.3-173-63.5178.2000112.5F109 L127 V144 L147 K151 L152 W157F109-L149 HydrophobicContact CE1-CD2 3.51Å; F109-L149 HydrophobicContact CZ-CD2 3.49Å; F109-L149 VanDerWaalsContact CZ-CD2 3.49Å; L127-L149 HydrophobicContact CD1-CD1 4.04Å; L127-L149 HydrophobicContact CD1-CD2 4.32Å; L127-L149 HydrophobicContact CD2-CD1 3.95Å; L127-L149 HydrophobicContact CD2-CD2 4.28Å; V144-L149 HydrophobicContact CB-CD1 4.45Å; V144-L149 HydrophobicContact CG1-CB 4.3Å; V144-L149 HydrophobicContact CG2-CD1 4Å; V144-L149 PolarHBondContact O-N 3.03Å; L147-L149 HydrophobicContact CB-CD1 4.49Å; L147-L149 HydrophobicContact CB-CD2 4.09Å; L147-L149 HydrophobicContact CB-CG 3.86Å; L147-L149 PolarHBondContact O-N 3.35Å; L149-K151 PolarHBondContact O-N 3.15Å; L149-K151 VanDerWaalsContact O-N 3.12Å; L149-L152 VanDerWaalsContact O-CB 3.28Å; L149-L152 WeakPolarHBondContact O-CB 3.23Å; L149-L152 PolarHBondContact O-N 3.09Å; L149-W157 HydrophobicContact CB-CD2 3.97Å; L149-W157 HydrophobicContact CB-CE3 4.06Å; L149-W157 HydrophobicContact CB-CH2 3.67Å; L149-W157 HydrophobicContact CB-CZ2 3.56Å; L149-W157 HydrophobicContact CB-CZ3 3.91Å; L149-W157 HydrophobicContact CD1-CD2 4.32Å; L149-W157 HydrophobicContact CD1-CE3 3.73Å; L149-W157 HydrophobicContact CD1-CH2 4.32Å; L149-W157 HydrophobicContact CD1-CZ3 3.74Å; L149-W157 HydrophobicContact CD2-CD2 4.48Å; L149-W157 HydrophobicContact CG-CD2 4.49Å; L149-W157 HydrophobicContact CG-CE3 4.37Å; L149-W157 HydrophobicContact CG-CZ3 4.44Å; L149-W157 WeakPolarHBondContact O-CZ2 3.33Å; L149-W157 PolarHBondContact O-NE1 3.46Å; L149-W157 VanDerWaalsContact O-NE1 3.09Å
150E95.2Very high96.4Very high124 Ų12466.1 Ų66.158%0.57931%0.309SS*.G310 helixtrans-61.3-20.7176.4-61.3-175.1149.700113.5V144 G148 R153V144-E150 HydrophobicContact CG1-CG 3.76Å; G148-E150 PolarHBondContact O-N 3.2Å; E150-R153 PolarHBondContact O-NH1 3.46Å; E150-R153 PolarHBondContact O-NH2 2.87Å
151K93.9Very high96.4Very high175 Ų17566.6 Ų66.676%0.76132%0.317SS*.G310 helixtrans-92.2-10.7177.5-58.9175.9-175.4170.70112.3G148 L149 R153G148-K151 WeakPolarHBondContact O-CB 3.33Å; G148-K151 PolarHBondContact O-N 2.83Å; L149-K151 PolarHBondContact O-N 3.15Å; L149-K151 VanDerWaalsContact O-N 3.12Å; K151-R153 PolarHBondContact O-N 3.06Å
152L94.2Very high96.5Very high24 Ų2461.4 Ų61.413%0.12629%0.29CS..  trans-75.2111.6-178.9-170.359.1000110.1L113 L149 N154 K155 W157L113-L152 HydrophobicContact CD1-CD1 4.08Å; L113-L152 HydrophobicContact CD1-CD2 4.4Å; L113-L152 HydrophobicContact CD2-CD1 4.12Å; L113-L152 HydrophobicContact CD2-CD2 4.19Å; L149-L152 VanDerWaalsContact O-CB 3.28Å; L149-L152 WeakPolarHBondContact O-CB 3.23Å; L149-L152 PolarHBondContact O-N 3.09Å; L152-N154 WeakPolarHBondContact CD1-OD1 3.26Å; L152-K155 HydrophobicContact CD1-CB 4.47Å; L152-K155 HydrophobicContact CD1-CD 4.29Å; L152-K155 HydrophobicContact CD1-CG 4.36Å; L152-K155 HydrophobicContact CD2-CB 4.03Å; L152-K155 HydrophobicContact CD2-CD 4.31Å; L152-K155 HydrophobicContact CG-CB 4.12Å; L152-W157 HydrophobicContact CD2-CG 4.31Å
153R88Confident96.5Very high207 Ų20757.7 Ų57.778%0.78127%0.273SS*.  trans-106.3-26-174.6-65.8-73.1178.3-97.9-4114.4E150 K151E150-R153 PolarHBondContact O-NH1 3.46Å; E150-R153 PolarHBondContact O-NH2 2.87Å; K151-R153 PolarHBondContact O-N 3.06Å
154N87.5Confident96.5Very high71 Ų7157.8 Ų57.838%0.3828%0.275SS..SBendtrans-96.76.8-172.364.4-24.7000114.2C119 L152C119-N154 PolarHBondContact O-ND2 3.48Å; L152-N154 WeakPolarHBondContact CD1-OD1 3.26Å
155K93.7Very high96.4Very high12 Ų1262.9 Ų62.95%0.05230%0.3CS..SBendtrans-140.5138.7-177.8-58.6-175.3-176.3-66.90110.8L113 I118 R121 I125 L152L113-K155 HydrophobicContact CD2-CD 3.82Å; I118-K155 PolarHBondContact O-NZ 3.42Å; R121-K155 PolarHBondContact O-NZ 3.27Å; I125-K155 HydrophobicContact CD1-CD 3.56Å; I125-K155 HydrophobicContact CG1-CD 4.22Å; L152-K155 HydrophobicContact CD1-CB 4.47Å; L152-K155 HydrophobicContact CD1-CD 4.29Å; L152-K155 HydrophobicContact CD1-CG 4.36Å; L152-K155 HydrophobicContact CD2-CB 4.03Å; L152-K155 HydrophobicContact CD2-CD 4.31Å; L152-K155 HydrophobicContact CG-CB 4.12Å
156S96.8Very high96.3Very high60 Ų6059.8 Ų59.842%0.4229%0.29SS..  trans-72.9129.6163.7-580000108.8P124 I125 Q180P124-S156 VanDerWaalsContact CA-O 3.3Å; P124-S156 WeakPolarHBondContact CA-O 3.37Å; I125-S156 PolarHBondContact N-O 3.21Å; S156-Q180 PolarHBondContact OG-OE1 3.22Å; S156-Q180 VanDerWaalsContact OG-OE1 3.12Å
157W98.2Very high96.4Very high72 Ų7258.3 Ų58.327%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-139.1155.2174.962.2-92.4000110.7I125 L127 V144 L149 L152 I159 W176I125-W157 HydrophobicContact CB-CB 4.32Å; I125-W157 WeakPolarHBondContact O-CA 3.32Å; I125-W157 WeakPolarHBondContact O-CB 3.4Å; L127-W157 HydrophobicContact CD1-CB 4.24Å; V144-W157 HydrophobicContact CG1-CH2 4.23Å; V144-W157 HydrophobicContact CG2-CH2 4.44Å; V144-W157 HydrophobicContact CG2-CZ3 4.25Å; L149-W157 HydrophobicContact CB-CD2 3.97Å; L149-W157 HydrophobicContact CB-CE3 4.06Å; L149-W157 HydrophobicContact CB-CH2 3.67Å; L149-W157 HydrophobicContact CB-CZ2 3.56Å; L149-W157 HydrophobicContact CB-CZ3 3.91Å; L149-W157 HydrophobicContact CD1-CD2 4.32Å; L149-W157 HydrophobicContact CD1-CE3 3.73Å; L149-W157 HydrophobicContact CD1-CH2 4.32Å; L149-W157 HydrophobicContact CD1-CZ3 3.74Å; L149-W157 HydrophobicContact CD2-CD2 4.48Å; L149-W157 HydrophobicContact CG-CD2 4.49Å; L149-W157 HydrophobicContact CG-CE3 4.37Å; L149-W157 HydrophobicContact CG-CZ3 4.44Å; L149-W157 WeakPolarHBondContact O-CZ2 3.33Å; L149-W157 PolarHBondContact O-NE1 3.46Å; L149-W157 VanDerWaalsContact O-NE1 3.09Å; L152-W157 HydrophobicContact CD2-CG 4.31Å; W157-I159 HydrophobicContact CZ3-CG2 4.26Å; W157-W176 VanDerWaalsContact C-CH2 3.5Å; W157-W176 VanDerWaalsContact C-CZ2 3.42Å
158R98.6Very high96.4Very high128 Ų12864.1 Ų64.148%0.48331%0.314SS..EExtended strand (participates in β ladder)trans-153.1142.9168.4-167.2167.1-178166.12.5109.4I125 L127 F160 W176I125-R158 PolarHBondContact O-N 3.41Å; L127-R158 PolarHBondContact N-O 3.21Å; R158-F160 HydrophobicContact CB-CE2 3.98Å; R158-F160 VanDerWaalsContact CD-CZ 3.48Å; R158-F160 HydrophobicContact CG-CD2 4.16Å; R158-F160 HydrophobicContact CG-CE2 3.5Å; R158-F160 VanDerWaalsContact CG-CE2 3.5Å; R158-F160 HydrophobicContact CG-CZ 3.95Å; R158-W176 HydrophobicContact CB-CD2 3.6Å; R158-W176 HydrophobicContact CB-CE3 3.99Å; R158-W176 HydrophobicContact CB-CG 4.18Å; R158-W176 HydrophobicContact CB-CH2 3.95Å; R158-W176 HydrophobicContact CB-CZ2 3.54Å; R158-W176 HydrophobicContact CB-CZ3 4.15Å; R158-W176 VanDerWaalsContact CD-CD1 3.44Å; R158-W176 HydrophobicContact CG-CD2 4.44Å
159I98.8Very high96.5Very high21 Ų2163.9 Ų63.911%0.10831%0.311CS..EExtended strand (participates in β ladder)trans-111.4140177.1-174.4163.2000109.9L127 A129 V140 I143 V144 W157L127-I159 HydrophobicContact CB-CB 3.91Å; L127-I159 HydrophobicContact CB-CD1 4.13Å; L127-I159 HydrophobicContact CB-CG1 3.84Å; L127-I159 CarbonylContact O-C 3.59Å; L127-I159 VanDerWaalsContact O-CA 3.31Å; L127-I159 WeakPolarHBondContact O-CA 3.43Å; A129-I159 HydrophobicContact CB-CD1 4.17Å; A129-I159 HydrophobicContact CB-CG1 4.32Å; V140-I159 HydrophobicContact CG1-CB 4.23Å; V140-I159 HydrophobicContact CG1-CD1 4.1Å; V140-I159 HydrophobicContact CG1-CG1 3.96Å; V140-I159 HydrophobicContact CG1-CG2 3.34Å; I143-I159 HydrophobicContact CB-CD1 4.01Å; I143-I159 HydrophobicContact CG2-CD1 3.58Å; V144-I159 HydrophobicContact CG2-CG2 3.66Å; W157-I159 HydrophobicContact CZ3-CG2 4.26Å
160F98.8Very high96.5Very high31 Ų3163.9 Ų63.914%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-126.1135.7174.7-68.5-98.3000109.4L126 L127 F128 A129 R158 E172 W176L126-F160 HydrophobicContact CD1-CD2 3.51Å; L126-F160 HydrophobicContact CD1-CE2 3.79Å; L127-F160 PolarHBondContact O-N 3.18Å; F128-F160 WeakPolarHBondContact CA-O 3.24Å; F128-F160 HydrophobicContact CD1-CB 4.08Å; F128-F160 HydrophobicContact CE1-CB 4.12Å; A129-F160 PolarHBondContact N-O 3.16Å; R158-F160 HydrophobicContact CB-CE2 3.98Å; R158-F160 VanDerWaalsContact CD-CZ 3.48Å; R158-F160 HydrophobicContact CG-CD2 4.16Å; R158-F160 HydrophobicContact CG-CE2 3.5Å; R158-F160 VanDerWaalsContact CG-CE2 3.5Å; R158-F160 HydrophobicContact CG-CZ 3.95Å; F160-E172 HydrophobicContact CD1-CB 3.97Å; F160-E172 HydrophobicContact CE1-CB 3.7Å; F160-W176 HydrophobicContact CE2-CB 3.99Å; F160-W176 HydrophobicContact CE2-CG 4.23Å; F160-W176 HydrophobicContact CZ-CB 3.88Å; F160-W176 HydrophobicContact CZ-CG 4.34Å
161A98.7Very high96.7Very high48 Ų4862.9 Ų62.940%0.39731%0.31SS..EExtended strand (participates in β ladder)trans-63.5135.1162.300000108.5A129 M132 V140A129-A161 CarbonylContact O-C 3.6Å; M132-A161 HydrophobicContact CE-CB 4.38Å; M132-A161 HydrophobicContact CG-CB 3.85Å; V140-A161 HydrophobicContact CG2-CB 3.93Å
162S98.9Very high96.9Very high2 Ų259.9 Ų59.91%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-143.6156.5-179.970.80000114.2A129 N130 K131 M132 E168A129-S162 PolarHBondContact O-N 3.09Å; N130-S162 CarbonylContact C-O 3.49Å; N130-S162 WeakPolarHBondContact CA-O 3.13Å; N130-S162 VanDerWaalsContact CA-OG 3.31Å; N130-S162 WeakPolarHBondContact CA-OG 3.21Å; N130-S162 WeakPolarHBondContact CB-OG 3.32Å; N130-S162 PolarHBondContact OD1-O 2.85Å; N130-S162 PolarHBondContact OD1-OG 3.35Å; N130-S162 VanDerWaalsContact OD1-OG 3.09Å; K131-S162 PolarHBondContact N-O 3.1Å; M132-S162 PolarHBondContact N-O 2.98Å; S162-E168 VanDerWaalsContact CA-O 3.23Å; S162-E168 WeakPolarHBondContact CA-O 3.25Å; S162-E168 WeakPolarHBondContact CB-O 3.11Å
163N98.6Very high97.1Very high11 Ų1158.7 Ų58.76%0.05929%0.292CS..BIsolated β-bridgetrans-128.2109.5163.9175.2-13.6000108.7D133 I165 N166 G167 E168D133-N163 VanDerWaalsContact CB-ND2 3.32Å; D133-N163 WeakPolarHBondContact CB-ND2 3.38Å; D133-N163 PolarHBondContact OD1-ND2 2.83Å; D133-N163 PolarHBondContact OD2-ND2 2.92Å; N163-I165 VanDerWaalsContact C-N 3.25Å; N163-I165 PolarHBondContact O-N 2.97Å; N163-I165 WeakPolarHBondContact OD1-CA 3.44Å; N163-I165 VanDerWaalsContact OD1-CB 3.3Å; N163-I165 WeakPolarHBondContact OD1-CB 3.5Å; N163-I165 PolarHBondContact OD1-N 3.32Å; N163-N166 VanDerWaalsContact CB-OD1 3.28Å; N163-N166 WeakPolarHBondContact CB-OD1 3.32Å; N163-N166 PolarHBondContact ND2-ND2 3.17Å; N163-N166 PolarHBondContact O-OD1 3Å; N163-N166 PolarHBondContact OD1-N 3.31Å; N163-G167 CarbonylContact O-C 3.6Å; N163-G167 WeakPolarHBondContact O-CA 3.3Å; N163-G167 PolarHBondContact O-N 2.88Å; N163-E168 HydrophobicContact CB-CB 4.37Å; N163-E168 PolarHBondContact N-O 2.89Å; N163-E168 VanDerWaalsContact N-O 3.15Å; N163-E168 PolarHBondContact O-N 3.21Å
164A98.6Very high97.6Very high4 Ų449.1 Ų49.13%0.03326%0.256CS..THydrogen-bonded Turntrans-66.2-23.3-17900000114.3T32 I33 K36 N130T32-A164 HydrophobicContact CG2-CB 3.68Å; I33-A164 HydrophobicContact CG1-CB 3.52Å; K36-A164 WeakPolarHBondContact CB-O 3.45Å; K36-A164 WeakPolarHBondContact CG-O 3.41Å; N130-A164 PolarHBondContact OD1-N 3.48Å
165I97.3Very high98.1Very high122 Ų12250.2 Ų50.263%0.62626%0.26SS*.THydrogen-bonded Turntrans-73.9-46.8-179.2-58.4-62.5000110.4T32 K36 N163T32-I165 HydrophobicContact CG2-CD1 3.94Å; K36-I165 WeakPolarHBondContact CE-O 3.35Å; K36-I165 PolarHBondContact NZ-O 2.69Å; N163-I165 VanDerWaalsContact C-N 3.25Å; N163-I165 PolarHBondContact O-N 2.97Å; N163-I165 WeakPolarHBondContact OD1-CA 3.44Å; N163-I165 VanDerWaalsContact OD1-CB 3.3Å; N163-I165 WeakPolarHBondContact OD1-CB 3.5Å; N163-I165 PolarHBondContact OD1-N 3.32Å
166N96.9Very high98.3Very high72 Ų7251.4 Ų51.439%0.38526%0.264SS..THydrogen-bonded Turntrans-95.6-20.6-177.673.97.2000113.5K36 N163 E168K36-N166 WeakPolarHBondContact CE-O 3.46Å; K36-N166 PolarHBondContact NZ-O 3.32Å; N163-N166 VanDerWaalsContact CB-OD1 3.28Å; N163-N166 WeakPolarHBondContact CB-OD1 3.32Å; N163-N166 PolarHBondContact ND2-ND2 3.17Å; N163-N166 PolarHBondContact O-OD1 3Å; N163-N166 PolarHBondContact OD1-N 3.31Å; N166-E168 PolarHBondContact ND2-OE1 2.66Å; N166-E168 WeakPolarHBondContact OD1-CB 3.46Å; N166-E168 VanDerWaalsContact OD1-CG 3.32Å; N166-E168 WeakPolarHBondContact OD1-CG 3.33Å; N166-E168 PolarHBondContact OD1-N 2.67Å
167G98.3Very high98.4Very high17 Ų1748.5 Ų48.518%0.17524%0.244CC..THydrogen-bonded Turntrans98.14.2176.100000114.9N163 L170N163-G167 CarbonylContact O-C 3.6Å; N163-G167 WeakPolarHBondContact O-CA 3.3Å; N163-G167 PolarHBondContact O-N 2.88Å; G167-L170 PolarHBondContact O-N 3.14Å
168E98.7Very high98.3Very high124 Ų12446 Ų4658%0.57924%0.236SC*.BIsolated β-bridgetrans-57.7136.5178.4-76.7171.3-15900112.1S162 N163 N166 L170S162-E168 VanDerWaalsContact CA-O 3.23Å; S162-E168 WeakPolarHBondContact CA-O 3.25Å; S162-E168 WeakPolarHBondContact CB-O 3.11Å; N163-E168 HydrophobicContact CB-CB 4.37Å; N163-E168 PolarHBondContact N-O 2.89Å; N163-E168 VanDerWaalsContact N-O 3.15Å; N163-E168 PolarHBondContact O-N 3.21Å; N166-E168 PolarHBondContact ND2-OE1 2.66Å; N166-E168 WeakPolarHBondContact OD1-CB 3.46Å; N166-E168 VanDerWaalsContact OD1-CG 3.32Å; N166-E168 WeakPolarHBondContact OD1-CG 3.33Å; N166-E168 PolarHBondContact OD1-N 2.67Å; E168-L170 PolarHBondContact O-N 3.25Å; E168-L170 VanDerWaalsContact O-N 3.11Å
169G98.6Very high98.1Very high15 Ų1541 Ų4116%0.15522%0.224CC..THydrogen-bonded Turntrans75.2-14.8176.800000115.7E172 G173G169-E172 VanDerWaalsContact C-OE2 3.22Å; G169-E172 VanDerWaalsContact CA-OE2 3.25Å; G169-E172 WeakPolarHBondContact CA-OE2 3.37Å; G169-G173 PolarHBondContact O-N 3.09Å; G169-G173 VanDerWaalsContact O-N 3.15Å
170L98.8Very high98Very high1 Ų141.8 Ų41.81%0.00523%0.227CC..Hα-helixtrans-68.3-46.3-172.9-57.7-173.5000112.3I33 K36 L37 F128 G167 E168 G173 L174I33-L170 HydrophobicContact CB-CD2 4.43Å; I33-L170 HydrophobicContact CD1-CD2 4.11Å; I33-L170 HydrophobicContact CG1-CD1 4.44Å; I33-L170 HydrophobicContact CG1-CD2 3.85Å; I33-L170 HydrophobicContact CG2-CD1 4.22Å; I33-L170 HydrophobicContact CG2-CD2 3.95Å; K36-L170 HydrophobicContact CB-CD1 4.09Å; K36-L170 HydrophobicContact CG-CD1 4.01Å; L37-L170 HydrophobicContact CD2-CB 3.95Å; L37-L170 HydrophobicContact CD2-CD1 4.48Å; L37-L170 HydrophobicContact CG-CB 4.48Å; L37-L170 HydrophobicContact CG-CD1 4.28Å; F128-L170 HydrophobicContact CD1-CD2 4.19Å; F128-L170 HydrophobicContact CE1-CD2 3.95Å; F128-L170 HydrophobicContact CE2-CD2 4.37Å; F128-L170 HydrophobicContact CZ-CD2 4.03Å; G167-L170 PolarHBondContact O-N 3.14Å; E168-L170 PolarHBondContact O-N 3.25Å; E168-L170 VanDerWaalsContact O-N 3.11Å; L170-G173 PolarHBondContact O-N 3.43Å; L170-L174 WeakPolarHBondContact O-CG 3.26Å; L170-L174 PolarHBondContact O-N 3.26Å
171N98.3Very high97.7Very high104 Ų10440.6 Ų40.656%0.55622%0.222SC*.Hα-helixtrans-67.1-40-177.4-75.2-42.4000111.6G173 L174 M175N171-G173 VanDerWaalsContact C-N 3.33Å; N171-G173 PolarHBondContact O-N 3.28Å; N171-L174 PolarHBondContact O-N 3.45Å; N171-M175 WeakPolarHBondContact O-CB 3.19Å; N171-M175 VanDerWaalsContact O-CG 3.28Å; N171-M175 WeakPolarHBondContact O-CG 3.47Å; N171-M175 PolarHBondContact O-N 2.61Å
172E98.6Very high97.2Very high111 Ų11143.3 Ų43.352%0.51923%0.225SC..Hα-helixtrans-61.3-43.8175.9-64.279.8-179.700110.9F160 G169 M175 W176F160-E172 HydrophobicContact CD1-CB 3.97Å; F160-E172 HydrophobicContact CE1-CB 3.7Å; G169-E172 VanDerWaalsContact C-OE2 3.22Å; G169-E172 VanDerWaalsContact CA-OE2 3.25Å; G169-E172 WeakPolarHBondContact CA-OE2 3.37Å; E172-M175 PolarHBondContact O-N 2.75Å; E172-W176 PolarHBondContact O-N 3.13Å
173G98.8Very high96.3Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-59.1-50.6173.900000112.6L126 G169 L170 N171 M175 W176 L177L126-G173 VanDerWaalsContact CD2-C 3.45Å; L126-G173 WeakPolarHBondContact CD2-O 3.44Å; G169-G173 PolarHBondContact O-N 3.09Å; G169-G173 VanDerWaalsContact O-N 3.15Å; L170-G173 PolarHBondContact O-N 3.43Å; N171-G173 VanDerWaalsContact C-N 3.33Å; N171-G173 PolarHBondContact O-N 3.28Å; G173-M175 PolarHBondContact O-N 2.88Å; G173-W176 PolarHBondContact O-N 3.26Å; G173-L177 PolarHBondContact O-N 3.39Å
174L98.6Very high94.8Very high6 Ų652.8 Ų52.83%0.03128%0.278CS..Hα-helixtrans-63.8-39.4178.8-70.5-169.9000113L37 I58 V60 F65 I91 L126 L170 N171 W176 L177 F178L37-L174 HydrophobicContact CD1-CD1 3.67Å; L37-L174 HydrophobicContact CD1-CD2 4.48Å; L37-L174 HydrophobicContact CD1-CG 4.26Å; L37-L174 HydrophobicContact CD2-CD1 3.5Å; L37-L174 VanDerWaalsContact CD2-CD1 3.5Å; L37-L174 HydrophobicContact CD2-CG 4.37Å; L37-L174 HydrophobicContact CG-CD1 4.11Å; I58-L174 HydrophobicContact CG2-CD1 4.26Å; V60-L174 HydrophobicContact CG1-CB 4.1Å; V60-L174 HydrophobicContact CG2-CB 4.28Å; V60-L174 HydrophobicContact CG2-CD1 3.8Å; F65-L174 HydrophobicContact CD2-CD2 4.38Å; F65-L174 HydrophobicContact CE2-CD2 4.25Å; I91-L174 HydrophobicContact CD1-CD2 3.96Å; L126-L174 HydrophobicContact CD2-CD2 4.39Å; L170-L174 WeakPolarHBondContact O-CG 3.26Å; L170-L174 PolarHBondContact O-N 3.26Å; N171-L174 PolarHBondContact O-N 3.45Å; L174-W176 VanDerWaalsContact C-N 3.34Å; L174-L177 PolarHBondContact O-N 3.12Å; L174-F178 WeakPolarHBondContact O-CB 3.28Å; L174-F178 PolarHBondContact O-N 3.28Å
175M98Very high92.7Very high94 Ų9455.5 Ų55.546%0.46329%0.294SS..Hα-helixtrans-67.2-36.1177.7-73.9-55.2-57.700112V60 N171 E172 G173 F178 G179V60-M175 HydrophobicContact CG1-SD 4.04Å; N171-M175 WeakPolarHBondContact O-CB 3.19Å; N171-M175 VanDerWaalsContact O-CG 3.28Å; N171-M175 WeakPolarHBondContact O-CG 3.47Å; N171-M175 PolarHBondContact O-N 2.61Å; E172-M175 PolarHBondContact O-N 2.75Å; G173-M175 PolarHBondContact O-N 2.88Å; M175-F178 HydrophobicContact CE-CD1 4.11Å; M175-G179 PolarHBondContact O-N 3.21Å
176W98.5Very high90Very high36 Ų3659 Ų5914%0.13631%0.314CS..Hα-helixtrans-61.3-46.8169.9172.981.5000111.3P124 I125 L126 W157 R158 F160 E172 G173 L174 G179 Q180P124-W176 HydrophobicContact CB-CH2 4.32Å; I125-W176 WeakPolarHBondContact O-CH2 3.36Å; L126-W176 HydrophobicContact CB-CE3 4.14Å; L126-W176 HydrophobicContact CB-CZ3 3.81Å; L126-W176 HydrophobicContact CD1-CE3 3.95Å; L126-W176 HydrophobicContact CD1-CZ3 4.32Å; W157-W176 VanDerWaalsContact C-CH2 3.5Å; W157-W176 VanDerWaalsContact C-CZ2 3.42Å; R158-W176 HydrophobicContact CB-CD2 3.6Å; R158-W176 HydrophobicContact CB-CE3 3.99Å; R158-W176 HydrophobicContact CB-CG 4.18Å; R158-W176 HydrophobicContact CB-CH2 3.95Å; R158-W176 HydrophobicContact CB-CZ2 3.54Å; R158-W176 HydrophobicContact CB-CZ3 4.15Å; R158-W176 VanDerWaalsContact CD-CD1 3.44Å; R158-W176 HydrophobicContact CG-CD2 4.44Å; F160-W176 HydrophobicContact CE2-CB 3.99Å; F160-W176 HydrophobicContact CE2-CG 4.23Å; F160-W176 HydrophobicContact CZ-CB 3.88Å; F160-W176 HydrophobicContact CZ-CG 4.34Å; E172-W176 PolarHBondContact O-N 3.13Å; G173-W176 PolarHBondContact O-N 3.26Å; L174-W176 VanDerWaalsContact C-N 3.34Å; W176-G179 WeakPolarHBondContact O-CA 3.14Å; W176-G179 PolarHBondContact O-N 2.82Å; W176-G179 VanDerWaalsContact O-N 3.1Å; W176-Q180 HydrophobicContact CD2-CG 4.16Å; W176-Q180 HydrophobicContact CE3-CG 4.41Å; W176-Q180 HydrophobicContact CH2-CG 3.91Å; W176-Q180 HydrophobicContact CZ2-CG 3.62Å; W176-Q180 HydrophobicContact CZ3-CG 4.29Å; W176-Q180 PolarHBondContact O-N 2.87Å
177L98.2Very high89.7Confident0 Ų058.3 Ų58.30%031%0.31CS..Hα-helixtrans-64-43.1-179.3-171.259.8000112V20 F65 A89 I91 P124 L126 G173 L174 G179 Q180 L181V20-L177 HydrophobicContact CG1-CD2 4.33Å; F65-L177 HydrophobicContact CE2-CB 4.47Å; F65-L177 HydrophobicContact CE2-CD2 3.97Å; F65-L177 HydrophobicContact CE2-CG 4.27Å; A89-L177 HydrophobicContact CB-CD1 3.87Å; A89-L177 HydrophobicContact CB-CD2 4.11Å; A89-L177 HydrophobicContact CB-CG 4.26Å; I91-L177 HydrophobicContact CD1-CD2 4.17Å; I91-L177 HydrophobicContact CG1-CD2 3.88Å; P124-L177 HydrophobicContact CB-CD1 3.86Å; P124-L177 HydrophobicContact CG-CD1 3.78Å; L126-L177 HydrophobicContact CB-CB 4.46Å; L126-L177 HydrophobicContact CB-CD1 4.3Å; L126-L177 HydrophobicContact CB-CD2 4.19Å; L126-L177 HydrophobicContact CD2-CB 4.25Å; L126-L177 HydrophobicContact CD2-CD2 4.25Å; G173-L177 PolarHBondContact O-N 3.39Å; L174-L177 PolarHBondContact O-N 3.12Å; L177-G179 VanDerWaalsContact C-N 3.27Å; L177-G179 PolarHBondContact O-N 3.32Å; L177-Q180 PolarHBondContact O-N 3.01Å; L177-Q180 VanDerWaalsContact O-N 3.12Å; L177-L181 HydrophobicContact CG-CD1 4.11Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.84Å
178F95.9Very high89.2Confident20 Ų2060.5 Ų60.59%0.08832%0.318CS..Hα-helixtrans-53.9-44.6170.7169.4-93.2000111.5V60 M63 F65 L174 M175 Q180 L181 K182V60-F178 HydrophobicContact CG1-CB 3.84Å; V60-F178 HydrophobicContact CG1-CD2 4.41Å; V60-F178 HydrophobicContact CG1-CG 4.34Å; V60-F178 WeakPolarHBondContact O-CD2 3.38Å; M63-F178 HydrophobicContact CB-CD2 4.04Å; M63-F178 HydrophobicContact CB-CE2 4.12Å; M63-F178 HydrophobicContact CE-CD2 3.95Å; M63-F178 HydrophobicContact CE-CE2 3.83Å; M63-F178 HydrophobicContact CG-CD2 3.83Å; M63-F178 HydrophobicContact CG-CE2 3.68Å; M63-F178 HydrophobicContact SD-CD2 3.54Å; M63-F178 VanDerWaalsContact SD-CD2 3.54Å; M63-F178 HydrophobicContact SD-CE2 3.84Å; F65-F178 HydrophobicContact CZ-CB 4.2Å; L174-F178 WeakPolarHBondContact O-CB 3.28Å; L174-F178 PolarHBondContact O-N 3.28Å; M175-F178 HydrophobicContact CE-CD1 4.11Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; F178-Q180 PolarHBondContact O-N 2.77Å; F178-L181 PolarHBondContact O-N 2.82Å; F178-K182 HydrophobicContact CE1-CD 4.22Å; F178-K182 HydrophobicContact CZ-CD 4.35Å; F178-K182 WeakPolarHBondContact O-CB 3.25Å; F178-K182 PolarHBondContact O-N 3.37Å
179G95.3Very high88.7Confident23 Ų2356.9 Ų56.924%0.23730%0.303CS..Hα-helixtrans-60.5-39.8176.400000113.4M175 W176 L177 Q183M175-G179 PolarHBondContact O-N 3.21Å; W176-G179 WeakPolarHBondContact O-CA 3.14Å; W176-G179 PolarHBondContact O-N 2.82Å; W176-G179 VanDerWaalsContact O-N 3.1Å; L177-G179 VanDerWaalsContact C-N 3.27Å; L177-G179 PolarHBondContact O-N 3.32Å; G179-Q183 WeakPolarHBondContact O-CG 3.48Å; G179-Q183 PolarHBondContact O-N 3.35Å; G179-Q183 PolarHBondContact O-NE2 2.89Å
180Q95.2Very high88.1Confident37 Ų3759.4 Ų59.417%0.17331%0.312CS..Hα-helixtrans-66.9-43.5176-61.4-55.3-6500111.9P124 S156 W176 L177 F178 K182 Q183 S184P124-Q180 HydrophobicContact CB-CB 3.72Å; P124-Q180 HydrophobicContact CB-CG 4.01Å; P124-Q180 HydrophobicContact CG-CB 3.95Å; S156-Q180 PolarHBondContact OG-OE1 3.22Å; S156-Q180 VanDerWaalsContact OG-OE1 3.12Å; W176-Q180 HydrophobicContact CD2-CG 4.16Å; W176-Q180 HydrophobicContact CE3-CG 4.41Å; W176-Q180 HydrophobicContact CH2-CG 3.91Å; W176-Q180 HydrophobicContact CZ2-CG 3.62Å; W176-Q180 HydrophobicContact CZ3-CG 4.29Å; W176-Q180 PolarHBondContact O-N 2.87Å; L177-Q180 PolarHBondContact O-N 3.01Å; L177-Q180 VanDerWaalsContact O-N 3.12Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; F178-Q180 PolarHBondContact O-N 2.77Å; Q180-K182 PolarHBondContact O-N 3.4Å; Q180-Q183 PolarHBondContact O-N 2.83Å; Q180-S184 PolarHBondContact O-N 3.07Å; Q180-S184 PolarHBondContact O-OG 3.49Å; Q180-S184 VanDerWaalsContact O-OG 3.1Å
181L92.9Very high87.4Confident6 Ų663.1 Ų63.13%0.03133%0.331CS..Hα-helixtrans-68.1-35-179.3-71.4162.9000112.4V18 M63 F65 E88 A89 P124 L177 F178 Q183 S184V18-L181 HydrophobicContact CB-CD1 4.48Å; V18-L181 HydrophobicContact CG1-CD1 3.76Å; V18-L181 HydrophobicContact CG1-CD2 3.77Å; V18-L181 HydrophobicContact CG1-CG 4.37Å; V18-L181 HydrophobicContact CG2-CD1 4.47Å; M63-L181 HydrophobicContact CE-CB 4.14Å; M63-L181 HydrophobicContact SD-CB 4.01Å; F65-L181 HydrophobicContact CE1-CD1 3.76Å; F65-L181 HydrophobicContact CE2-CD1 4.45Å; F65-L181 HydrophobicContact CZ-CD1 3.63Å; E88-L181 HydrophobicContact CB-CD2 4.27Å; A89-L181 HydrophobicContact CB-CD1 4.27Å; A89-L181 HydrophobicContact CB-CD2 4.14Å; P124-L181 HydrophobicContact CG-CD2 4.33Å; P124-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 HydrophobicContact CG-CD1 4.11Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.84Å; F178-L181 PolarHBondContact O-N 2.82Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 3.12Å; L181-S184 PolarHBondContact O-N 2.7Å
182K88.4Confident86.7Confident104 Ų10460.3 Ų60.345%0.45232%0.316SS..Hα-helixtrans-66.3-34.8176.5-176178178.4-175.20112.3F13 M63 F178 Q180 T185F13-K182 HydrophobicContact CE2-CB 4.46Å; F13-K182 HydrophobicContact CE2-CG 4.11Å; F13-K182 HydrophobicContact CZ-CB 4.32Å; F13-K182 HydrophobicContact CZ-CD 4.24Å; F13-K182 HydrophobicContact CZ-CG 3.85Å; M63-K182 HydrophobicContact CE-CB 3.85Å; F178-K182 HydrophobicContact CE1-CD 4.22Å; F178-K182 HydrophobicContact CZ-CD 4.35Å; F178-K182 WeakPolarHBondContact O-CB 3.25Å; F178-K182 PolarHBondContact O-N 3.37Å; Q180-K182 PolarHBondContact O-N 3.4Å; K182-T185 PolarHBondContact O-OG1 3.48Å
183Q79.8Confident85.9Confident127 Ų12756.7 Ų56.759%0.59330%0.301SS*.Hα-helixtrans-73.4-29.3178.5-73.8169.878.100112.5G179 Q180 L181 T185 N186G179-Q183 WeakPolarHBondContact O-CG 3.48Å; G179-Q183 PolarHBondContact O-N 3.35Å; G179-Q183 PolarHBondContact O-NE2 2.89Å; Q180-Q183 PolarHBondContact O-N 2.83Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 3.12Å; Q183-T185 PolarHBondContact O-N 3.39Å; Q183-N186 PolarHBondContact O-N 3.35Å
184S68.2Low84.9Confident86 Ų8661.1 Ų61.160%0.60133%0.325SS*.THydrogen-bonded Turntrans-74.5-7.7-178.4-56.50000113.9Q180 L181Q180-S184 PolarHBondContact O-N 3.07Å; Q180-S184 PolarHBondContact O-OG 3.49Å; Q180-S184 VanDerWaalsContact O-OG 3.1Å; L181-S184 PolarHBondContact O-N 2.7Å
185T54.2Low83.7Confident61 Ų6165.7 Ų65.737%0.37435%0.349SS..THydrogen-bonded Turntrans-103.3-0.7179.850.50000114.5K16 K182 Q183K16-T185 HydrophobicContact CD-CG2 4.41Å; K182-T185 PolarHBondContact O-OG1 3.48Å; Q183-T185 PolarHBondContact O-N 3.39Å
186N40Very low82.4Confident194 Ų19463.1 Ų63.1100%1.03734%0.339SS*.  trans-102.30173.7-71.1-26.9000110.2Q183Q183-N186 PolarHBondContact O-N 3.35Å

Retrieved 186 of 186 residues in 187.6 ms (Link to these results)

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