A0A077ZC90_TRITR Loading...

Phospholipase B-like

Putative phospholipase.

AlphaFold DB , UniProt , Accession A0A077ZC90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 498 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
1M42.4Very low60Low222 Ų22287.5 Ų87.5100%1.09444%0.441SS*.  0-39.70-125.9164.3-148.700112.6L3 H4M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.18Å; M1-H4 PolarHBondContact O-N 3.29Å
2L47.1Very low59.9Low68 Ų6884.8 Ų84.836%0.35643%0.425SS..G310 helixtrans-62.6-25.5177.4-80.4155.1000116.2H4 T5 V39 L42 I119L2-H4 PolarHBondContact O-N 3.38Å; L2-T5 WeakPolarHBondContact CA-OG1 3.36Å; L2-T5 PolarHBondContact O-N 3.24Å; L2-T5 PolarHBondContact O-OG1 3.29Å; L2-V39 HydrophobicContact CD2-CG1 4.12Å; L2-V39 HydrophobicContact CD2-CG2 4.23Å; L2-L42 HydrophobicContact CD1-CD2 4.27Å; L2-L42 HydrophobicContact CD2-CD2 4.02Å; L2-I119 HydrophobicContact CD1-CD1 4.14Å; L2-I119 HydrophobicContact CD1-CG2 4.47Å
3L45.7Very low59.2Low159 Ų15991.9 Ų91.983%0.83244%0.444SS*.G310 helixtrans-70.5-7.2179.4-84.7158.9000114.5M1M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.18Å
4H53.7Low58Low165 Ų16596.2 Ų96.276%0.76447%0.47SS*.G310 helixtrans-106.1-5.5174.2-71.414.3000113M1 L2 N28M1-H4 PolarHBondContact O-N 3.29Å; L2-H4 PolarHBondContact O-N 3.38Å; H4-N28 PolarHBondContact O-ND2 2.77Å
5T63.9Low56.6Low30 Ų3093.7 Ų93.718%0.18447%0.466CS..THydrogen-bonded Turntrans-97.4-35.7-173.250.90000112.9L2 N28 L31L2-T5 WeakPolarHBondContact CA-OG1 3.36Å; L2-T5 PolarHBondContact O-N 3.24Å; L2-T5 PolarHBondContact O-OG1 3.29Å; T5-N28 WeakPolarHBondContact O-CB 3.28Å; T5-N28 PolarHBondContact O-N 3.18Å; T5-L31 HydrophobicContact CG2-CD1 4.08Å; T5-L31 HydrophobicContact CG2-CD2 4.2Å; T5-L31 VanDerWaalsContact O-CD1 3.26Å; T5-L31 WeakPolarHBondContact O-CD1 3.21Å
6A61.6Low55.7Low10 Ų10100.8 Ų100.88%0.08349%0.493CS..EExtended strand (participates in β ladder)trans-162.1156179.600000110.5E26 T27 V39 L43A6-E26 CarbonylContact C-O 3.58Å; A6-E26 WeakPolarHBondContact CA-O 3.32Å; A6-E26 WeakPolarHBondContact CB-O 3.21Å; A6-T27 HydrophobicContact CB-CG2 3.9Å; A6-V39 HydrophobicContact CB-CG1 3.48Å; A6-V39 VanDerWaalsContact CB-CG1 3.48Å; A6-L43 HydrophobicContact CB-CD1 3.63Å
7V69.9Low55.5Low84 Ų84101.5 Ų101.551%0.50950%0.5SS..EExtended strand (participates in β ladder)trans-119126.7172.7-177.30000107.9E26 F497V7-E26 PolarHBondContact N-O 2.83Å; V7-E26 PolarHBondContact O-N 2.81Å; V7-E26 VanDerWaalsContact O-O 3.1Å; V7-F497 HydrophobicContact CG1-CZ 3.98Å
8A63.8Low55.8Low26 Ų2697.7 Ų97.722%0.21548%0.48CS..EExtended strand (participates in β ladder)trans-124.3138170.500000109.8E24 I25 L43 L47A8-E24 CarbonylContact C-O 3.56Å; A8-E24 VanDerWaalsContact CA-O 3.26Å; A8-E24 WeakPolarHBondContact CA-O 3.47Å; A8-I25 HydrophobicContact CB-CB 4.47Å; A8-I25 HydrophobicContact CB-CG1 3.92Å; A8-I25 HydrophobicContact CB-CG2 4.49Å; A8-L43 HydrophobicContact CB-CB 3.8Å; A8-L43 HydrophobicContact CB-CD1 3.75Å; A8-L43 HydrophobicContact CB-CD2 4.44Å; A8-L43 HydrophobicContact CB-CG 4.21Å; A8-L47 HydrophobicContact CB-CD1 3.47Å; A8-L47 VanDerWaalsContact CB-CD1 3.47Å
9Q70.8Confident57.2Low72 Ų7296.7 Ų96.734%0.33647%0.47SS..EExtended strand (participates in β ladder)trans-124121.4173-171.9176.810.500109.3R11 E24 F497Q9-R11 HydrophobicContact CG-CG 4.17Å; Q9-E24 PolarHBondContact N-O 2.91Å; Q9-E24 PolarHBondContact O-N 3.04Å; Q9-F497 HydrophobicContact CB-CE1 4.43Å; Q9-F497 HydrophobicContact CB-CZ 3.85Å
10R70.3Confident59Low67 Ų6792.2 Ų92.225%0.25345%0.448SS..EExtended strand (participates in β ladder)trans-97.4125.1165.1-178.1-179.7174.3-145.9-3.4108.9Q12 L23 L47R10-Q12 VanDerWaalsContact CZ-OE1 3.3Å; R10-L23 HydrophobicContact CB-CD1 4.41Å; R10-L47 HydrophobicContact CB-CB 4.3Å; R10-L47 HydrophobicContact CB-CD1 4.46Å; R10-L47 WeakPolarHBondContact CD-O 3.26Å; R10-L47 PolarHBondContact NE-O 2.82Å; R10-L47 PolarHBondContact NH1-O 2.98Å
11R70.4Confident60.7Low59 Ų5987.9 Ų87.922%0.22343%0.427CS..EExtended strand (participates in β ladder)trans-110.7114.7168.2-71.7-176-70.6155.3-1.1108.6Q9 F22 E24 G494Q9-R11 HydrophobicContact CG-CG 4.17Å; R11-F22 HydrophobicContact CB-CB 4.34Å; R11-F22 PolarHBondContact N-O 2.66Å; R11-F22 PolarHBondContact O-N 3.13Å; R11-E24 IonicContact CZ-OE1 3.46Å; R11-E24 IonicContact NE-OE1 3.52Å; R11-E24 IonicContact NH2-OE1 2.65Å; R11-E24 PolarHBondContact NH2-OE1 2.73Å; R11-G494 PolarHBondContact NH1-O 2.65Å; R11-G494 VanDerWaalsContact NH1-O 3.13Å; R11-G494 PolarHBondContact NH2-O 2.96Å
12Q59.2Low63.2Low55 Ų5578.2 Ų78.226%0.25738%0.379SS..  trans-119.9114.4173.5-168.3-179.216.300107.3R10 L14 F18R10-Q12 VanDerWaalsContact CZ-OE1 3.3Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 HydrophobicContact CG-CD2 4.45Å; Q12-L14 HydrophobicContact CG-CG 4.46Å; Q12-L14 PolarHBondContact O-N 2.74Å; Q12-F18 HydrophobicContact CG-CE2 3.42Å; Q12-F18 VanDerWaalsContact CG-CE2 3.42Å; Q12-F18 HydrophobicContact CG-CZ 3.46Å; Q12-F18 VanDerWaalsContact CG-CZ 3.46Å
13R51.2Low65.5Low178 Ų17875 Ų7567%0.67236%0.362SS*.  trans-72.197.4166.8-79.2-170.3178.9-168.50.2107.2S15R13-S15 PolarHBondContact O-N 2.81Å
14L41.5Very low67.9Low152 Ų15267.4 Ų67.480%0.79632%0.323SS*.  trans-70.956.7175.7-75163.1000111.5Q12Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 HydrophobicContact CG-CD2 4.45Å; Q12-L14 HydrophobicContact CG-CG 4.46Å; Q12-L14 PolarHBondContact O-N 2.74Å
15S37.6Very low70Confident59 Ų5959.6 Ų59.641%0.41329%0.286SS..SBendtrans-116.9153.3168.969.90000109.3R13 N17R13-S15 PolarHBondContact O-N 2.81Å; S15-N17 CarbonylContact O-C 3.23Å; S15-N17 PolarHBondContact O-N 2.93Å
16F42.3Very low71.5Confident206 Ų20661.4 Ų61.490%0.90429%0.293SS*.SBendtrans-52.1-4.3175.1-81.4-93.1000115.3
17N51.8Low73.1Confident114 Ų11461.2 Ų61.261%0.6129%0.291SS*.  trans-101.264.2172.5-68-22.1000111.4S15 R19 F488S15-N17 CarbonylContact O-C 3.23Å; S15-N17 PolarHBondContact O-N 2.93Å; N17-R19 PolarHBondContact O-N 2.86Å; N17-R19 VanDerWaalsContact O-N 3.08Å; N17-F488 HydrophobicContact CB-CE1 4.1Å
18F61.3Low74.1Confident33 Ų3360.7 Ų60.715%0.14529%0.285CS..  trans-76.394-177.4-144.3-87.8000111.1Q12 A21 L51 L185 P483 F488Q12-F18 HydrophobicContact CG-CE2 3.42Å; Q12-F18 VanDerWaalsContact CG-CE2 3.42Å; Q12-F18 HydrophobicContact CG-CZ 3.46Å; Q12-F18 VanDerWaalsContact CG-CZ 3.46Å; F18-A21 HydrophobicContact CE1-CB 4.4Å; F18-A21 HydrophobicContact CZ-CB 4.34Å; F18-L51 HydrophobicContact CE1-CD2 4.48Å; F18-L51 HydrophobicContact CZ-CD2 4.46Å; F18-L185 HydrophobicContact CD1-CD1 4.45Å; F18-L185 HydrophobicContact CE1-CD1 4.34Å; F18-P483 WeakPolarHBondContact O-CG 3.41Å; F18-F488 WeakPolarHBondContact O-CZ 3.33Å
19R82.7Confident75.2Confident78 Ų7864.8 Ų64.829%0.29430%0.3SS..  trans-94.6-56-179.657.4-171.6171-172.22.3113.3N17 C456 F488N17-R19 PolarHBondContact O-N 2.86Å; N17-R19 VanDerWaalsContact O-N 3.08Å; R19-C456 HydrophobicContact CB-CB 4.41Å; R19-C456 WeakPolarHBondContact O-CB 3.23Å; R19-C456 PolarHBondContact O-SG 3.06Å; R19-F488 HydrophobicContact CB-CB 4.2Å; R19-F488 HydrophobicContact CB-CD1 3.83Å; R19-F488 HydrophobicContact CB-CD2 4.14Å; R19-F488 HydrophobicContact CB-CE1 4.24Å; R19-F488 HydrophobicContact CB-CG 3.77Å
20W92.5Very high76.1Confident7 Ų765.6 Ų65.63%0.02732%0.319CS..  trans-145140.7179.1-68.494000107.5F22 R186 E188 D438 K440 A454 C456 I491W20-F22 HydrophobicContact CB-CE1 4.11Å; W20-F22 HydrophobicContact CB-CZ 3.97Å; W20-R186 HydrophobicContact CD2-CB 3.93Å; W20-R186 HydrophobicContact CE3-CB 3.3Å; W20-R186 HydrophobicContact CE3-CG 4.29Å; W20-R186 HydrophobicContact CH2-CB 4.08Å; W20-R186 HydrophobicContact CH2-CG 4.28Å; W20-R186 HydrophobicContact CZ3-CB 3.41Å; W20-R186 VanDerWaalsContact CZ3-CB 3.41Å; W20-R186 HydrophobicContact CZ3-CG 4.08Å; W20-E188 HydrophobicContact CB-CG 4.5Å; W20-E188 HydrophobicContact CD2-CG 4.03Å; W20-E188 HydrophobicContact CE3-CG 3.64Å; W20-E188 HydrophobicContact CG-CG 4.41Å; W20-E188 HydrophobicContact CZ3-CG 4.19Å; W20-D438 HydrophobicContact CH2-CB 4.23Å; W20-D438 HydrophobicContact CZ2-CB 3.99Å; W20-K440 HydrophobicContact CH2-CD 4.47Å; W20-A454 HydrophobicContact CZ2-CB 4.09Å; W20-C456 HydrophobicContact CD2-CB 4.44Å; W20-C456 HydrophobicContact CG-CB 4.45Å; W20-C456 HydrophobicContact CZ2-CB 4.23Å; W20-I491 HydrophobicContact CB-CD1 4.23Å; W20-I491 HydrophobicContact CG-CD1 4.13Å
21A94.3Very high77Confident1 Ų164.4 Ų64.41%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-88159.8158.500000109.6F18 L51 R186 I187 E188F18-A21 HydrophobicContact CE1-CB 4.4Å; F18-A21 HydrophobicContact CZ-CB 4.34Å; A21-L51 HydrophobicContact CB-CD1 4.01Å; A21-R186 PolarHBondContact N-O 2.83Å; A21-I187 HydrophobicContact CB-CB 4.46Å; A21-I187 HydrophobicContact CB-CG1 4.06Å; A21-I187 HydrophobicContact CB-CG2 4.31Å; A21-I187 CarbonylContact O-C 3.41Å; A21-I187 VanDerWaalsContact O-CA 3.31Å; A21-I187 WeakPolarHBondContact O-CA 3.27Å; A21-E188 PolarHBondContact O-N 2.99Å
22F95Very high78.2Confident19 Ų1965.6 Ų65.68%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-126.2134.2177.9-49.2-83.5000109.5R11 W20 E188 I491 N493R11-F22 HydrophobicContact CB-CB 4.34Å; R11-F22 PolarHBondContact N-O 2.66Å; R11-F22 PolarHBondContact O-N 3.13Å; W20-F22 HydrophobicContact CB-CE1 4.11Å; W20-F22 HydrophobicContact CB-CZ 3.97Å; F22-E188 WeakPolarHBondContact CA-O 3.49Å; F22-E188 HydrophobicContact CD1-CB 3.92Å; F22-E188 HydrophobicContact CD1-CG 4.32Å; F22-E188 HydrophobicContact CE1-CB 4.35Å; F22-E188 HydrophobicContact CE1-CG 4.25Å; F22-E188 WeakPolarHBondContact CE1-OE2 3.47Å; F22-I491 HydrophobicContact CE1-CD1 3.94Å; F22-I491 HydrophobicContact CZ-CD1 3.63Å; F22-N493 HydrophobicContact CD1-CB 3.74Å; F22-N493 VanDerWaalsContact CD1-ND2 3.28Å; F22-N493 WeakPolarHBondContact CD1-ND2 3.48Å; F22-N493 HydrophobicContact CE1-CB 3.58Å
23L96.2Very high79.9Confident0 Ų063.7 Ų63.70%032%0.32CS..EExtended strand (participates in β ladder)trans-130.2128.6178.4177.166.3000109.4R10 I25 E44 L47 T48 I187 E188 K189 L190 Y191R10-L23 HydrophobicContact CB-CD1 4.41Å; L23-I25 HydrophobicContact CD1-CD1 4.21Å; L23-I25 HydrophobicContact CD1-CG1 4.02Å; L23-I25 HydrophobicContact CD2-CD1 4.03Å; L23-I25 HydrophobicContact CD2-CG1 4.41Å; L23-I25 HydrophobicContact CG-CD1 4.18Å; L23-I25 HydrophobicContact CG-CG1 4.03Å; L23-E44 HydrophobicContact CD2-CB 4.29Å; L23-E44 VanDerWaalsContact CD2-CD 3.47Å; L23-E44 HydrophobicContact CD2-CG 3.67Å; L23-E44 WeakPolarHBondContact CD2-OE2 3.37Å; L23-L47 HydrophobicContact CD1-CD1 4.46Å; L23-T48 HydrophobicContact CD1-CG2 4.4Å; L23-T48 HydrophobicContact CD2-CG2 4.27Å; L23-I187 HydrophobicContact CB-CG2 3.87Å; L23-E188 PolarHBondContact N-O 3.01Å; L23-K189 HydrophobicContact CB-CG 4.29Å; L23-K189 HydrophobicContact CD2-CD 4.25Å; L23-K189 HydrophobicContact CD2-CG 4.35Å; L23-K189 CarbonylContact O-C 3.56Å; L23-K189 VanDerWaalsContact O-CA 3.32Å; L23-K189 WeakPolarHBondContact O-CA 3.5Å; L23-L190 PolarHBondContact O-N 2.83Å; L23-Y191 HydrophobicContact CD2-CE1 4.47Å
24E96.9Very high82.1Confident1 Ų157.7 Ų57.71%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-123.2128.3173-58.5-179.5-123.100108.2A8 Q9 R11 L190 W495 K496 F497A8-E24 CarbonylContact C-O 3.56Å; A8-E24 VanDerWaalsContact CA-O 3.26Å; A8-E24 WeakPolarHBondContact CA-O 3.47Å; Q9-E24 PolarHBondContact N-O 2.91Å; Q9-E24 PolarHBondContact O-N 3.04Å; R11-E24 IonicContact CZ-OE1 3.46Å; R11-E24 IonicContact NE-OE1 3.52Å; R11-E24 IonicContact NH2-OE1 2.65Å; R11-E24 PolarHBondContact NH2-OE1 2.73Å; E24-L190 WeakPolarHBondContact CA-O 3.25Å; E24-L190 HydrophobicContact CG-CB 4.23Å; E24-W495 HydrophobicContact CG-CE3 3.48Å; E24-W495 VanDerWaalsContact CG-CE3 3.48Å; E24-W495 HydrophobicContact CG-CZ3 3.76Å; E24-K496 VanDerWaalsContact CD-N 3.32Å; E24-K496 PolarHBondContact OE1-N 2.89Å; E24-K496 VanDerWaalsContact OE1-N 3.11Å; E24-K496 WeakPolarHBondContact OE2-CA 3.43Å; E24-K496 PolarHBondContact OE2-N 2.93Å; E24-F497 HydrophobicContact CB-CD2 3.56Å; E24-F497 HydrophobicContact CB-CE2 3.48Å; E24-F497 VanDerWaalsContact CB-CE2 3.48Å; E24-F497 HydrophobicContact CB-CG 4.31Å; E24-F497 HydrophobicContact CB-CZ 4.16Å; E24-F497 PolarHBondContact OE2-N 2.82Å
25I96.5Very high84.7Confident0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-130.1126.1177.4-58.2-174.2000108.1A8 L23 A40 E44 L190 Y191 K192 L193A8-I25 HydrophobicContact CB-CB 4.47Å; A8-I25 HydrophobicContact CB-CG1 3.92Å; A8-I25 HydrophobicContact CB-CG2 4.49Å; L23-I25 HydrophobicContact CD1-CD1 4.21Å; L23-I25 HydrophobicContact CD1-CG1 4.02Å; L23-I25 HydrophobicContact CD2-CD1 4.03Å; L23-I25 HydrophobicContact CD2-CG1 4.41Å; L23-I25 HydrophobicContact CG-CD1 4.18Å; L23-I25 HydrophobicContact CG-CG1 4.03Å; I25-A40 WeakPolarHBondContact CD1-O 3.45Å; I25-A40 HydrophobicContact CG2-CB 3.89Å; I25-E44 HydrophobicContact CD1-CB 3.72Å; I25-L190 PolarHBondContact N-O 2.74Å; I25-Y191 HydrophobicContact CB-CD1 4.04Å; I25-Y191 HydrophobicContact CB-CE1 4.46Å; I25-Y191 HydrophobicContact CD1-CD1 4.42Å; I25-Y191 HydrophobicContact CD1-CE1 3.97Å; I25-Y191 HydrophobicContact CG1-CD1 4.36Å; I25-Y191 HydrophobicContact CG1-CE1 4.32Å; I25-Y191 CarbonylContact O-C 3.52Å; I25-Y191 WeakPolarHBondContact O-CA 3.25Å; I25-K192 PolarHBondContact O-N 2.73Å; I25-L193 HydrophobicContact CG2-CD2 4.43Å
26E96.1Very high87.6Confident68 Ų6851.3 Ų51.332%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-126.2127.9174.9179.8164.9-172.500109.6A6 V7 K192 F497A6-E26 CarbonylContact C-O 3.58Å; A6-E26 WeakPolarHBondContact CA-O 3.32Å; A6-E26 WeakPolarHBondContact CB-O 3.21Å; V7-E26 PolarHBondContact N-O 2.83Å; V7-E26 PolarHBondContact O-N 2.81Å; V7-E26 VanDerWaalsContact O-O 3.1Å; E26-K192 VanDerWaalsContact CA-O 3.31Å; E26-K192 WeakPolarHBondContact CA-O 3.03Å; E26-K192 HydrophobicContact CB-CB 4.02Å; E26-K192 HydrophobicContact CG-CB 3.95Å; E26-K192 WeakPolarHBondContact OE1-CE 3.19Å; E26-K192 IonicContact OE1-NZ 2.84Å; E26-K192 PolarHBondContact OE1-NZ 3.03Å; E26-K192 IonicContact OE2-NZ 3.73Å; E26-K192 PolarHBondContact OE2-NZ 2.87Å; E26-F497 HydrophobicContact CB-CD2 3.91Å; E26-F497 HydrophobicContact CB-CE2 4.1Å
27T95.3Very high90.2Very high6 Ų641.5 Ų41.54%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-105.1156.1176.353.50000111.3A6 Q36 A40 K192 L193A6-T27 HydrophobicContact CB-CG2 3.9Å; T27-Q36 HydrophobicContact CG2-CB 4.27Å; T27-Q36 WeakPolarHBondContact CG2-O 3.29Å; T27-Q36 PolarHBondContact OG1-OE1 3.2Å; T27-A40 HydrophobicContact CG2-CB 3.95Å; T27-K192 PolarHBondContact N-O 3.12Å; T27-L193 HydrophobicContact CG2-CD2 3.52Å; T27-L193 WeakPolarHBondContact OG1-CD2 3.44Å
28N89.5Confident92.4Very high73 Ų7336.4 Ų36.439%0.3919%0.189SC..  trans-82.6126.8178.1-170.2-20.8000110.6H4 T5 A30 L31 Q36H4-N28 PolarHBondContact O-ND2 2.77Å; T5-N28 WeakPolarHBondContact O-CB 3.28Å; T5-N28 PolarHBondContact O-N 3.18Å; N28-A30 PolarHBondContact O-N 3.11Å; N28-A30 WeakPolarHBondContact OD1-CB 3.26Å; N28-A30 PolarHBondContact OD1-N 2.79Å; N28-L31 WeakPolarHBondContact O-CB 3.35Å; N28-L31 PolarHBondContact O-N 2.74Å; N28-L31 VanDerWaalsContact O-N 3.12Å; N28-Q36 WeakPolarHBondContact O-CG 3.49Å
29E87.9Confident94Very high112 Ų11235.3 Ų35.352%0.52319%0.185SC..THydrogen-bonded Turntrans-60.7-21.4176.8-169.3-180169.600113.2L31 P194 V196 V200E29-L31 PolarHBondContact O-N 3.2Å; E29-P194 HydrophobicContact CB-CB 4.13Å; E29-P194 HydrophobicContact CB-CG 3.76Å; E29-P194 HydrophobicContact CG-CB 4.14Å; E29-P194 HydrophobicContact CG-CG 4.29Å; E29-V196 HydrophobicContact CG-CG2 4.36Å; E29-V200 VanDerWaalsContact OE1-CG2 3.25Å; E29-V200 WeakPolarHBondContact OE1-CG2 3.4Å
30A88.8Confident94.7Very high90 Ų9031.6 Ų31.674%0.74417%0.171SC*.THydrogen-bonded Turntrans-67.6-12.8175.800000114N28N28-A30 PolarHBondContact O-N 3.11Å; N28-A30 WeakPolarHBondContact OD1-CB 3.26Å; N28-A30 PolarHBondContact OD1-N 2.79Å
31L90.3Very high95Very high42 Ų4231.3 Ų31.322%0.2217%0.17CC..SBendtrans-90.5146.5175-63.4174.2000110.6T5 N28 E29 H35 Q36T5-L31 HydrophobicContact CG2-CD1 4.08Å; T5-L31 HydrophobicContact CG2-CD2 4.2Å; T5-L31 VanDerWaalsContact O-CD1 3.26Å; T5-L31 WeakPolarHBondContact O-CD1 3.21Å; N28-L31 WeakPolarHBondContact O-CB 3.35Å; N28-L31 PolarHBondContact O-N 2.74Å; N28-L31 VanDerWaalsContact O-N 3.12Å; E29-L31 PolarHBondContact O-N 3.2Å; L31-H35 HydrophobicContact CB-CB 4.27Å; L31-Q36 HydrophobicContact CB-CG 3.59Å; L31-Q36 HydrophobicContact CD1-CG 4.39Å; L31-Q36 PolarHBondContact O-NE2 3.4Å
32D94.6Very high95.1Very high84 Ų8431.6 Ų31.645%0.44917%0.171SC..  trans-63.3158.6167.966.482.4000111.7M34 H35 Q36D32-M34 PolarHBondContact O-N 3.33Å; D32-M34 PolarHBondContact OD1-N 3.16Å; D32-M34 VanDerWaalsContact OD1-N 3.13Å; D32-H35 PolarHBondContact O-N 3.36Å; D32-H35 VanDerWaalsContact O-N 3.16Å; D32-H35 IonicContact OD1-CG 2.81Å; D32-H35 PolarHBondContact OD1-N 3.03Å; D32-H35 IonicContact OD1-ND1 3.83Å; D32-H35 PolarHBondContact OD1-ND1 2.99Å; D32-H35 VanDerWaalsContact OD1-ND1 3.07Å; D32-H35 IonicContact OD2-CE1 3.87Å; D32-H35 IonicContact OD2-CG 2.93Å; D32-H35 IonicContact OD2-ND1 3.56Å; D32-H35 PolarHBondContact OD2-ND1 2.92Å; D32-Q36 WeakPolarHBondContact O-CG 3.48Å; D32-Q36 PolarHBondContact O-N 3.4Å
33N96.7Very high95.2Very high15 Ų1532.5 Ų32.58%0.0818%0.176CC..Hα-helixtrans-57.6-35.2-172.4-64.5-7000113.3A37 N99 T103 F195 V196N33-A37 VanDerWaalsContact O-CB 3.24Å; N33-A37 WeakPolarHBondContact O-CB 3.03Å; N33-A37 PolarHBondContact O-N 2.79Å; N33-N99 PolarHBondContact ND2-OD1 2.93Å; N33-T103 HydrophobicContact CB-CG2 3.76Å; N33-F195 HydrophobicContact CB-CB 4.49Å; N33-F195 HydrophobicContact CB-CD1 3.96Å; N33-F195 HydrophobicContact CB-CG 4.49Å; N33-F195 WeakPolarHBondContact O-CE1 3.39Å; N33-F195 VanDerWaalsContact OD1-CA 3.32Å; N33-F195 WeakPolarHBondContact OD1-CA 3.34Å; N33-V196 PolarHBondContact ND2-N 3.5Å; N33-V196 PolarHBondContact ND2-O 3.3Å; N33-V196 PolarHBondContact OD1-N 2.58Å
34M96.9Very high95.2Very high51 Ų5132.5 Ų32.525%0.25118%0.176SC..Hα-helixtrans-73.3-39.7-178.4-61.8-57.7136.800111.1D32 A37 Y38 N99 T103 T106 P122D32-M34 PolarHBondContact O-N 3.33Å; D32-M34 PolarHBondContact OD1-N 3.16Å; D32-M34 VanDerWaalsContact OD1-N 3.13Å; M34-A37 PolarHBondContact O-N 3.16Å; M34-Y38 VanDerWaalsContact O-CB 3.27Å; M34-Y38 WeakPolarHBondContact O-CB 3.49Å; M34-Y38 PolarHBondContact O-N 2.74Å; M34-N99 WeakPolarHBondContact CE-O 3.49Å; M34-T103 HydrophobicContact CE-CG2 3.56Å; M34-T103 HydrophobicContact SD-CG2 4.32Å; M34-T106 HydrophobicContact CB-CG2 4.39Å; M34-T106 VanDerWaalsContact O-CG2 3.32Å; M34-T106 WeakPolarHBondContact O-CG2 3.43Å; M34-T106 PolarHBondContact SD-OG1 3.43Å; M34-P122 HydrophobicContact CB-CB 4.19Å
35H96.2Very high95.2Very high78 Ų7832.4 Ų32.436%0.36118%0.176SC..Hα-helixtrans-65.8-42.9172.1-75.988.3000112.4L31 D32 A37 Y38 V39 P122L31-H35 HydrophobicContact CB-CB 4.27Å; D32-H35 PolarHBondContact O-N 3.36Å; D32-H35 VanDerWaalsContact O-N 3.16Å; D32-H35 IonicContact OD1-CG 2.81Å; D32-H35 PolarHBondContact OD1-N 3.03Å; D32-H35 IonicContact OD1-ND1 3.83Å; D32-H35 PolarHBondContact OD1-ND1 2.99Å; D32-H35 VanDerWaalsContact OD1-ND1 3.07Å; D32-H35 IonicContact OD2-CE1 3.87Å; D32-H35 IonicContact OD2-CG 2.93Å; D32-H35 IonicContact OD2-ND1 3.56Å; D32-H35 PolarHBondContact OD2-ND1 2.92Å; H35-A37 PolarHBondContact O-N 3.25Å; H35-Y38 PolarHBondContact O-N 2.86Å; H35-V39 WeakPolarHBondContact O-CB 3.45Å; H35-V39 VanDerWaalsContact O-CG2 3.28Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 2.83Å; H35-P122 HydrophobicContact CB-CG 4.38Å
36Q97Very high95.2Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-56.6-51.1173.8-71.4-168.361.700110.7T27 N28 L31 D32 Y38 V39 A40 P194 F195T27-Q36 HydrophobicContact CG2-CB 4.27Å; T27-Q36 WeakPolarHBondContact CG2-O 3.29Å; T27-Q36 PolarHBondContact OG1-OE1 3.2Å; N28-Q36 WeakPolarHBondContact O-CG 3.49Å; L31-Q36 HydrophobicContact CB-CG 3.59Å; L31-Q36 HydrophobicContact CD1-CG 4.39Å; L31-Q36 PolarHBondContact O-NE2 3.4Å; D32-Q36 WeakPolarHBondContact O-CG 3.48Å; D32-Q36 PolarHBondContact O-N 3.4Å; Q36-Y38 PolarHBondContact O-N 3.33Å; Q36-V39 PolarHBondContact O-N 3.4Å; Q36-A40 WeakPolarHBondContact O-CB 3.23Å; Q36-A40 PolarHBondContact O-N 2.94Å; Q36-P194 PolarHBondContact NE2-O 2.6Å; Q36-F195 HydrophobicContact CB-CD1 3.98Å; Q36-F195 HydrophobicContact CB-CE1 3.56Å
37A98.1Very high95.1Very high0 Ų035.3 Ų35.30%019%0.194CC..Hα-helixtrans-61-48-17900000112.3N33 M34 H35 V39 A40 G41 T103 T106 Q107 F195N33-A37 VanDerWaalsContact O-CB 3.24Å; N33-A37 WeakPolarHBondContact O-CB 3.03Å; N33-A37 PolarHBondContact O-N 2.79Å; M34-A37 PolarHBondContact O-N 3.16Å; H35-A37 PolarHBondContact O-N 3.25Å; A37-V39 PolarHBondContact O-N 2.79Å; A37-A40 PolarHBondContact O-N 3.45Å; A37-G41 PolarHBondContact O-N 3.25Å; A37-T103 HydrophobicContact CB-CG2 4.3Å; A37-T103 WeakPolarHBondContact CB-O 3.34Å; A37-T106 HydrophobicContact CB-CG2 4.29Å; A37-Q107 HydrophobicContact CB-CB 4.21Å; A37-Q107 WeakPolarHBondContact O-CA 3.25Å; A37-Q107 WeakPolarHBondContact O-CG 3.31Å; A37-F195 HydrophobicContact CB-CE1 4.04Å; A37-F195 HydrophobicContact CB-CZ 3.94Å
38Y97.7Very high95.2Very high6 Ų635.1 Ų35.12%0.02419%0.192CC..Hα-helixtrans-60-48.2179.1-177.1-105.2000111.6M34 H35 Q36 A40 G41 L42 T106 D113 G120 P122M34-Y38 VanDerWaalsContact O-CB 3.27Å; M34-Y38 WeakPolarHBondContact O-CB 3.49Å; M34-Y38 PolarHBondContact O-N 2.74Å; H35-Y38 PolarHBondContact O-N 2.86Å; Q36-Y38 PolarHBondContact O-N 3.33Å; Y38-A40 PolarHBondContact O-N 2.85Å; Y38-G41 PolarHBondContact O-N 3.39Å; Y38-L42 HydrophobicContact CE1-CD1 4.49Å; Y38-L42 WeakPolarHBondContact O-CB 3.46Å; Y38-L42 PolarHBondContact O-N 2.94Å; Y38-T106 HydrophobicContact CD2-CG2 4.46Å; Y38-D113 HydrophobicContact CE2-CB 4.47Å; Y38-D113 VanDerWaalsContact CE2-OD2 3.29Å; Y38-D113 WeakPolarHBondContact CE2-OD2 3.17Å; Y38-D113 VanDerWaalsContact CZ-OD2 3.32Å; Y38-D113 PolarHBondContact OH-OD2 3.45Å; Y38-G120 WeakPolarHBondContact CE1-O 3.42Å; Y38-G120 WeakPolarHBondContact OH-CA 3.49Å; Y38-G120 PolarHBondContact OH-N 3.31Å; Y38-P122 HydrophobicContact CD1-CG 4.31Å; Y38-P122 HydrophobicContact CG-CB 4.24Å; Y38-P122 HydrophobicContact CG-CG 4.11Å
39V96Very high95.5Very high11 Ų1135.5 Ų35.57%0.06719%0.188CC..Hα-helixtrans-66.6-38-179.6173.90000111.5L2 A6 H35 Q36 A37 G41 L42 L43L2-V39 HydrophobicContact CD2-CG1 4.12Å; L2-V39 HydrophobicContact CD2-CG2 4.23Å; A6-V39 HydrophobicContact CB-CG1 3.48Å; A6-V39 VanDerWaalsContact CB-CG1 3.48Å; H35-V39 WeakPolarHBondContact O-CB 3.45Å; H35-V39 VanDerWaalsContact O-CG2 3.28Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 2.83Å; Q36-V39 PolarHBondContact O-N 3.4Å; A37-V39 PolarHBondContact O-N 2.79Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.21Å; V39-L42 PolarHBondContact O-N 2.84Å; V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.24Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.07Å
40A97.4Very high95.9Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-59.1-46.6174.100000111.3I25 T27 Q36 A37 Y38 E44 L193I25-A40 WeakPolarHBondContact CD1-O 3.45Å; I25-A40 HydrophobicContact CG2-CB 3.89Å; T27-A40 HydrophobicContact CG2-CB 3.95Å; Q36-A40 WeakPolarHBondContact O-CB 3.23Å; Q36-A40 PolarHBondContact O-N 2.94Å; A37-A40 PolarHBondContact O-N 3.45Å; Y38-A40 PolarHBondContact O-N 2.85Å; A40-E44 PolarHBondContact O-N 3.1Å; A40-E44 VanDerWaalsContact O-N 3.12Å; A40-L193 HydrophobicContact CB-CD1 4.44Å; A40-L193 HydrophobicContact CB-CD2 3.74Å
41G97.8Very high96.2Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-59-51.7173.200000112.2A37 Y38 V39 L43 E44 G45 Q107 G110 L111A37-G41 PolarHBondContact O-N 3.25Å; Y38-G41 PolarHBondContact O-N 3.39Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.21Å; G41-L43 VanDerWaalsContact C-N 3.3Å; G41-L43 PolarHBondContact O-N 3.38Å; G41-E44 WeakPolarHBondContact O-CB 3.47Å; G41-E44 PolarHBondContact O-N 3.27Å; G41-E44 VanDerWaalsContact O-N 3.07Å; G41-G45 PolarHBondContact O-N 3.39Å; G41-Q107 VanDerWaalsContact CA-O 3.32Å; G41-Q107 WeakPolarHBondContact CA-O 3.3Å; G41-G110 CarbonylContact C-O 3.52Å; G41-L111 VanDerWaalsContact C-N 3.33Å; G41-L111 VanDerWaalsContact O-CA 3.24Å; G41-L111 WeakPolarHBondContact O-CA 3.15Å
42L96.5Very high96.6Very high8 Ų826.7 Ų26.74%0.04214%0.137CC..Hα-helixtrans-54-46.5-179.3-169.383000112L2 Y38 V39 N46 G110 D113 G114 I119L2-L42 HydrophobicContact CD1-CD2 4.27Å; L2-L42 HydrophobicContact CD2-CD2 4.02Å; Y38-L42 HydrophobicContact CE1-CD1 4.49Å; Y38-L42 WeakPolarHBondContact O-CB 3.46Å; Y38-L42 PolarHBondContact O-N 2.94Å; V39-L42 PolarHBondContact O-N 2.84Å; L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 2.88Å; L42-G110 WeakPolarHBondContact CA-O 3.48Å; L42-G110 VanDerWaalsContact N-C 3.29Å; L42-G110 PolarHBondContact N-O 3.02Å; L42-D113 HydrophobicContact CD1-CB 3.87Å; L42-G114 WeakPolarHBondContact O-CA 3.41Å; L42-I119 HydrophobicContact CD1-CG1 4.31Å; L42-I119 HydrophobicContact CD2-CG1 4.31Å; L42-I119 HydrophobicContact CD2-CG2 4.12Å
43L95.9Very high96.7Very high37 Ų3726.3 Ų26.319%0.19413%0.132CC..Hα-helixtrans-64.8-42.8178-71.7173000111.7A6 A8 V39 G41 L47A6-L43 HydrophobicContact CB-CD1 3.63Å; A8-L43 HydrophobicContact CB-CB 3.8Å; A8-L43 HydrophobicContact CB-CD1 3.75Å; A8-L43 HydrophobicContact CB-CD2 4.44Å; A8-L43 HydrophobicContact CB-CG 4.21Å; V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.24Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.07Å; G41-L43 VanDerWaalsContact C-N 3.3Å; G41-L43 PolarHBondContact O-N 3.38Å; L43-L47 WeakPolarHBondContact O-CB 3.34Å; L43-L47 WeakPolarHBondContact O-CG 3.32Å; L43-L47 PolarHBondContact O-N 3.42Å
44E97.4Very high96.8Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-62.2-51175.9-178157.8154.200112.2L23 I25 A40 G41 N46 L47 T48 L111 K189 Y191L23-E44 HydrophobicContact CD2-CB 4.29Å; L23-E44 VanDerWaalsContact CD2-CD 3.47Å; L23-E44 HydrophobicContact CD2-CG 3.67Å; L23-E44 WeakPolarHBondContact CD2-OE2 3.37Å; I25-E44 HydrophobicContact CD1-CB 3.72Å; A40-E44 PolarHBondContact O-N 3.1Å; A40-E44 VanDerWaalsContact O-N 3.12Å; G41-E44 WeakPolarHBondContact O-CB 3.47Å; G41-E44 PolarHBondContact O-N 3.27Å; G41-E44 VanDerWaalsContact O-N 3.07Å; E44-N46 VanDerWaalsContact C-N 3.26Å; E44-N46 PolarHBondContact O-N 3.33Å; E44-L47 PolarHBondContact O-N 3.47Å; E44-T48 HydrophobicContact CG-CG2 4.48Å; E44-T48 WeakPolarHBondContact O-CB 3.31Å; E44-T48 PolarHBondContact O-N 2.54Å; E44-T48 PolarHBondContact O-OG1 3.25Å; E44-L111 HydrophobicContact CB-CD1 4.34Å; E44-L111 HydrophobicContact CG-CD1 3.96Å; E44-K189 IonicContact OE1-NZ 2.79Å; E44-K189 PolarHBondContact OE1-NZ 2.98Å; E44-Y191 WeakPolarHBondContact OE2-CE1 3.49Å; E44-Y191 VanDerWaalsContact OE2-CZ 3.28Å; E44-Y191 PolarHBondContact OE2-OH 3.34Å
45G96.8Very high96.8Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-56.6-42.7-179.200000111.7G41 R49 L111 G114G41-G45 PolarHBondContact O-N 3.39Å; G45-R49 WeakPolarHBondContact O-CA 3.29Å; G45-R49 WeakPolarHBondContact O-CB 3.39Å; G45-R49 PolarHBondContact O-N 2.72Å; G45-R49 VanDerWaalsContact O-N 3.1Å; G45-L111 WeakPolarHBondContact CA-O 3.3Å; G45-G114 VanDerWaalsContact C-C 3.44Å; G45-G114 CarbonylContact C-O 3.53Å
46N95.7Very high96.9Very high75 Ų7525 Ų2540%0.40112%0.122SC..Hα-helixtrans-71.8-53.4178.2-172.2-82000112L42 E44 T48 R49 G114 D117L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 2.88Å; E44-N46 VanDerWaalsContact C-N 3.26Å; E44-N46 PolarHBondContact O-N 3.33Å; N46-T48 VanDerWaalsContact C-N 3.26Å; N46-T48 PolarHBondContact O-N 3.02Å; N46-R49 PolarHBondContact ND2-NH2 3.44Å; N46-R49 PolarHBondContact O-N 2.67Å; N46-G114 VanDerWaalsContact CA-O 3.32Å; N46-G114 WeakPolarHBondContact CA-O 3.08Å; N46-G114 PolarHBondContact N-O 3.29Å; N46-D117 PolarHBondContact ND2-OD1 3.47Å
47L95.5Very high96.9Very high54 Ų5429.2 Ų29.228%0.28314%0.141SC..Hα-helixtrans-65.6-29.5-175.4-72173.9000112.8A8 R10 L23 L43 E44A8-L47 HydrophobicContact CB-CD1 3.47Å; A8-L47 VanDerWaalsContact CB-CD1 3.47Å; R10-L47 HydrophobicContact CB-CB 4.3Å; R10-L47 HydrophobicContact CB-CD1 4.46Å; R10-L47 WeakPolarHBondContact CD-O 3.26Å; R10-L47 PolarHBondContact NE-O 2.82Å; R10-L47 PolarHBondContact NH1-O 2.98Å; L23-L47 HydrophobicContact CD1-CD1 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.34Å; L43-L47 WeakPolarHBondContact O-CG 3.32Å; L43-L47 PolarHBondContact O-N 3.42Å; E44-L47 PolarHBondContact O-N 3.47Å
48T96.1Very high96.8Very high1 Ų129.4 Ų29.41%0.00614%0.141CC..Hα-helixtrans-1098.7-17770.20000113.8L23 E44 N46 S50 L51 I52 I187L23-T48 HydrophobicContact CD1-CG2 4.4Å; L23-T48 HydrophobicContact CD2-CG2 4.27Å; E44-T48 HydrophobicContact CG-CG2 4.48Å; E44-T48 WeakPolarHBondContact O-CB 3.31Å; E44-T48 PolarHBondContact O-N 2.54Å; E44-T48 PolarHBondContact O-OG1 3.25Å; N46-T48 VanDerWaalsContact C-N 3.26Å; N46-T48 PolarHBondContact O-N 3.02Å; T48-S50 VanDerWaalsContact C-N 3.3Å; T48-S50 PolarHBondContact O-N 3.12Å; T48-L51 WeakPolarHBondContact O-CA 3.42Å; T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 PolarHBondContact O-N 2.93Å; T48-I52 PolarHBondContact O-N 3.44Å; T48-I52 VanDerWaalsContact OG1-CD1 3.32Å; T48-I52 WeakPolarHBondContact OG1-CD1 3.36Å; T48-I187 HydrophobicContact CG2-CD1 4.17Å
49R96.3Very high96.7Very high81 Ų8130.7 Ų30.731%0.30615%0.15SC..Hα-helixtrans-40.7-51.6-178.2-171.5-178.9-66.4179.4-0.4114.2G45 N46 L51 I52 E53 G114 Y115 D117G45-R49 WeakPolarHBondContact O-CA 3.29Å; G45-R49 WeakPolarHBondContact O-CB 3.39Å; G45-R49 PolarHBondContact O-N 2.72Å; G45-R49 VanDerWaalsContact O-N 3.1Å; N46-R49 PolarHBondContact ND2-NH2 3.44Å; N46-R49 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-L51 PolarHBondContact O-N 3.33Å; R49-I52 PolarHBondContact O-N 2.92Å; R49-E53 PolarHBondContact O-N 3.27Å; R49-G114 PolarHBondContact NH2-O 2.86Å; R49-Y115 HydrophobicContact CB-CD2 4.34Å; R49-Y115 WeakPolarHBondContact CD-O 3.32Å; R49-Y115 HydrophobicContact CG-CD2 3.74Å; R49-Y115 HydrophobicContact CG-CE2 3.86Å; R49-Y115 HydrophobicContact CG-CG 4.46Å; R49-Y115 PolarHBondContact NE-O 2.88Å; R49-Y115 PolarHBondContact NH2-O 3.07Å; R49-D117 IonicContact CZ-OD1 3.55Å; R49-D117 IonicContact NH1-OD1 2.91Å; R49-D117 VanDerWaalsContact NH2-CB 3.27Å; R49-D117 IonicContact NH2-OD1 3.48Å; R49-D117 PolarHBondContact NH2-OD1 2.83Å
50S95.8Very high96.7Very high56 Ų5630.9 Ų30.939%0.39215%0.15SC..Hα-helixtrans-69.5-24.8-179.1-172.70000114.6T48 K54T48-S50 VanDerWaalsContact C-N 3.3Å; T48-S50 PolarHBondContact O-N 3.12Å; S50-K54 WeakPolarHBondContact O-CD 3.24Å; S50-K54 VanDerWaalsContact O-CG 3.27Å; S50-K54 WeakPolarHBondContact O-CG 3.49Å; S50-K54 PolarHBondContact O-NZ 3.5Å; S50-K54 PolarHBondContact OG-NZ 3.3Å
51L96.1Very high96.6Very high4 Ų433.5 Ų33.52%0.02117%0.172CC..Hα-helixtrans-81.2-39172.2-69.4175.2000110.7F18 A21 T48 R49 E53 K54 H55 L185 I187 P212F18-L51 HydrophobicContact CE1-CD2 4.48Å; F18-L51 HydrophobicContact CZ-CD2 4.46Å; A21-L51 HydrophobicContact CB-CD1 4.01Å; T48-L51 WeakPolarHBondContact O-CA 3.42Å; T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 PolarHBondContact O-N 2.93Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-L51 PolarHBondContact O-N 3.33Å; L51-E53 PolarHBondContact O-N 3.02Å; L51-K54 PolarHBondContact O-N 3.35Å; L51-H55 WeakPolarHBondContact O-CB 3.47Å; L51-H55 PolarHBondContact O-N 2.84Å; L51-L185 HydrophobicContact CB-CD2 4.46Å; L51-L185 HydrophobicContact CD2-CD1 4Å; L51-L185 HydrophobicContact CD2-CD2 3.95Å; L51-L185 HydrophobicContact CD2-CG 4.16Å; L51-I187 HydrophobicContact CD1-CD1 3.8Å; L51-I187 HydrophobicContact CD1-CG1 4.39Å; L51-P212 VanDerWaalsContact C-CB 3.46Å; L51-P212 HydrophobicContact CB-CB 3.67Å; L51-P212 HydrophobicContact CB-CG 3.72Å; L51-P212 WeakPolarHBondContact O-CB 3.42Å
52I97.8Very high96.3Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-57.1-49.8174.8-65.3172000110T48 R49 K54 H55 W56 L111 Y115 F129 P212T48-I52 PolarHBondContact O-N 3.44Å; T48-I52 VanDerWaalsContact OG1-CD1 3.32Å; T48-I52 WeakPolarHBondContact OG1-CD1 3.36Å; R49-I52 PolarHBondContact O-N 2.92Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 2.93Å; I52-H55 PolarHBondContact O-N 3.49Å; I52-W56 VanDerWaalsContact O-CB 3.25Å; I52-W56 WeakPolarHBondContact O-CB 3.27Å; I52-W56 PolarHBondContact O-N 3.49Å; I52-L111 HydrophobicContact CD1-CD2 4.4Å; I52-Y115 HydrophobicContact CB-CD2 3.9Å; I52-Y115 HydrophobicContact CB-CE2 3.97Å; I52-Y115 HydrophobicContact CD1-CD2 4.16Å; I52-Y115 HydrophobicContact CG2-CD2 3.66Å; I52-Y115 HydrophobicContact CG2-CE2 3.72Å; I52-F129 HydrophobicContact CG2-CE1 4.01Å; I52-F129 HydrophobicContact CG2-CE2 3.72Å; I52-F129 HydrophobicContact CG2-CZ 3.43Å; I52-F129 VanDerWaalsContact CG2-CZ 3.43Å; I52-P212 HydrophobicContact CG1-CB 4.25Å
53E97.8Very high96.2Very high75 Ų7536.1 Ų36.135%0.3520%0.196SC..Hα-helixtrans-57.4-44.1179.6-173.5-16817200112R49 L51 K57 Y115R49-E53 PolarHBondContact O-N 3.27Å; L51-E53 PolarHBondContact O-N 3.02Å; E53-K57 HydrophobicContact CG-CD 4.47Å; E53-K57 WeakPolarHBondContact O-CB 3.36Å; E53-K57 VanDerWaalsContact O-CG 3.3Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 3.07Å; E53-K57 VanDerWaalsContact O-N 3.07Å; E53-K57 WeakPolarHBondContact OE1-CE 3.4Å; E53-K57 IonicContact OE1-NZ 3.75Å; E53-K57 PolarHBondContact OE1-NZ 3.48Å; E53-Y115 HydrophobicContact CB-CE2 4.36Å
54K97.6Very high96.1Very high64 Ų6436.3 Ų36.328%0.27820%0.2SC..Hα-helixtrans-68-45.3179.6-69.7178.6-174107.60111.6S50 L51 I52 K57 N58 L185S50-K54 WeakPolarHBondContact O-CD 3.24Å; S50-K54 VanDerWaalsContact O-CG 3.27Å; S50-K54 WeakPolarHBondContact O-CG 3.49Å; S50-K54 PolarHBondContact O-NZ 3.5Å; S50-K54 PolarHBondContact OG-NZ 3.3Å; L51-K54 PolarHBondContact O-N 3.35Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 2.93Å; K54-K57 PolarHBondContact O-N 3.08Å; K54-N58 PolarHBondContact O-N 3.49Å; K54-N58 PolarHBondContact O-ND2 3.42Å; K54-N58 PolarHBondContact O-OD1 2.98Å; K54-L185 HydrophobicContact CB-CD2 3.8Å
55H97.4Very high95.9Very high6 Ų644.5 Ų44.53%0.02823%0.232CC..Hα-helixtrans-63.6-46178.6-169.859.6000111L51 I52 K57 N58 T59 L185 Y211 P212L51-H55 WeakPolarHBondContact O-CB 3.47Å; L51-H55 PolarHBondContact O-N 2.84Å; I52-H55 PolarHBondContact O-N 3.49Å; H55-K57 VanDerWaalsContact C-N 3.31Å; H55-K57 PolarHBondContact O-N 2.78Å; H55-N58 WeakPolarHBondContact O-CA 3.32Å; H55-N58 WeakPolarHBondContact O-CB 3.45Å; H55-N58 PolarHBondContact O-N 2.95Å; H55-T59 PolarHBondContact O-N 3.49Å; H55-T59 PolarHBondContact O-OG1 2.91Å; H55-L185 HydrophobicContact CB-CD2 4.24Å; H55-Y211 AromaticContact CE1-CD1 3.73Å; H55-P212 HydrophobicContact CB-CB 3.91Å; H55-P212 HydrophobicContact CB-CG 3.91Å; H55-P212 PolarHBondContact CD2-O 2.72Å
56W97.8Very high95.8Very high47 Ų4749.6 Ų49.618%0.17826%0.26CS..Hα-helixtrans-53.8-45.6173.9177-100.4000112.3I52 N58 T59 Y60 A61 I128 F129 L131 L132I52-W56 VanDerWaalsContact O-CB 3.25Å; I52-W56 WeakPolarHBondContact O-CB 3.27Å; I52-W56 PolarHBondContact O-N 3.49Å; W56-N58 VanDerWaalsContact C-N 3.31Å; W56-N58 PolarHBondContact O-N 2.92Å; W56-T59 PolarHBondContact O-N 3.16Å; W56-Y60 HydrophobicContact CZ3-CG 4.32Å; W56-Y60 PolarHBondContact O-N 3.02Å; W56-Y60 VanDerWaalsContact O-N 3.07Å; W56-A61 WeakPolarHBondContact O-CB 3.21Å; W56-A61 PolarHBondContact O-N 3.47Å; W56-I128 HydrophobicContact CH2-CB 4.27Å; W56-I128 HydrophobicContact CH2-CD1 4.42Å; W56-I128 HydrophobicContact CH2-CG1 3.34Å; W56-I128 HydrophobicContact CH2-CG2 4.05Å; W56-I128 HydrophobicContact CZ2-CG1 3.75Å; W56-I128 HydrophobicContact CZ2-CG2 4.17Å; W56-I128 HydrophobicContact CZ3-CG1 4.2Å; W56-I128 HydrophobicContact CZ3-CG2 4.37Å; W56-F129 HydrophobicContact CD2-CD1 4.49Å; W56-F129 HydrophobicContact CD2-CE1 4.17Å; W56-F129 AromaticContact CE3-CD1 3.91Å; W56-F129 HydrophobicContact CE3-CD1 3.91Å; W56-F129 HydrophobicContact CE3-CE1 4.02Å; W56-F129 HydrophobicContact CG-CE1 4.41Å; W56-F129 HydrophobicContact CZ3-CD1 4.26Å; W56-L131 HydrophobicContact CH2-CD1 4.21Å; W56-L131 HydrophobicContact CZ3-CB 4.38Å; W56-L132 HydrophobicContact CE3-CD1 4.12Å; W56-L132 HydrophobicContact CE3-CD2 4.11Å; W56-L132 HydrophobicContact CE3-CG 3.93Å; W56-L132 HydrophobicContact CZ3-CG 4.22Å
57K97.3Very high95.7Very high89 Ų8946.2 Ų46.239%0.38724%0.242SC..Hα-helixtrans-65.6-32176.1-74.5176.1-173.8174.30113.3E53 K54 H55 P478 Y480E53-K57 HydrophobicContact CG-CD 4.47Å; E53-K57 WeakPolarHBondContact O-CB 3.36Å; E53-K57 VanDerWaalsContact O-CG 3.3Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 3.07Å; E53-K57 VanDerWaalsContact O-N 3.07Å; E53-K57 WeakPolarHBondContact OE1-CE 3.4Å; E53-K57 IonicContact OE1-NZ 3.75Å; E53-K57 PolarHBondContact OE1-NZ 3.48Å; K54-K57 PolarHBondContact O-N 3.08Å; H55-K57 VanDerWaalsContact C-N 3.31Å; H55-K57 PolarHBondContact O-N 2.78Å; K57-P478 VanDerWaalsContact O-CG 3.3Å; K57-P478 WeakPolarHBondContact O-CG 3.4Å; K57-Y480 HydrophobicContact CB-CD2 3.67Å; K57-Y480 HydrophobicContact CB-CE2 3.9Å; K57-Y480 HydrophobicContact CD-CD2 4.3Å; K57-Y480 HydrophobicContact CD-CE2 4.3Å
58N96.6Very high95.6Very high3 Ų347.7 Ų47.72%0.01626%0.257CS..Hα-helixtrans-73.4-34.1178-65.6-10.2000112K54 H55 W56 D182 P478 H479 Y480 H482K54-N58 PolarHBondContact O-N 3.49Å; K54-N58 PolarHBondContact O-ND2 3.42Å; K54-N58 PolarHBondContact O-OD1 2.98Å; H55-N58 WeakPolarHBondContact O-CA 3.32Å; H55-N58 WeakPolarHBondContact O-CB 3.45Å; H55-N58 PolarHBondContact O-N 2.95Å; W56-N58 VanDerWaalsContact C-N 3.31Å; W56-N58 PolarHBondContact O-N 2.92Å; N58-D182 HydrophobicContact CB-CB 4.38Å; N58-D182 VanDerWaalsContact CB-O 3.3Å; N58-D182 WeakPolarHBondContact CB-O 3.33Å; N58-P478 PolarHBondContact OD1-O 2.48Å; N58-H479 WeakPolarHBondContact OD1-CA 3.5Å; N58-H479 PolarHBondContact OD1-N 2.92Å; N58-Y480 PolarHBondContact ND2-N 2.67Å; N58-Y480 PolarHBondContact ND2-O 2.86Å; N58-Y480 VanDerWaalsContact ND2-O 3.11Å; N58-Y480 WeakPolarHBondContact OD1-CB 3.4Å; N58-Y480 WeakPolarHBondContact OD1-CD2 3.39Å; N58-Y480 PolarHBondContact OD1-N 3.01Å; N58-H482 PolarHBondContact ND2-NE2 3.37Å
59T95.8Very high95.6Very high34 Ų3453.4 Ų53.421%0.20928%0.283CS..THydrogen-bonded Turntrans-113.3-67.7-167.155.80000113.5H55 W56 T183H55-T59 PolarHBondContact O-N 3.49Å; H55-T59 PolarHBondContact O-OG1 2.91Å; W56-T59 PolarHBondContact O-N 3.16Å; T59-T183 HydrophobicContact CG2-CG2 4.07Å
60Y95.4Very high95.6Very high14 Ų1449.9 Ų49.96%0.05527%0.27CS..THydrogen-bonded Turntrans-104.1-9.5-164.3-72.4-79.3000115.7W56 G62 Y63 L131 L132 S135 L138 V154W56-Y60 HydrophobicContact CZ3-CG 4.32Å; W56-Y60 PolarHBondContact O-N 3.02Å; W56-Y60 VanDerWaalsContact O-N 3.07Å; Y60-G62 PolarHBondContact O-N 2.94Å; Y60-G62 VanDerWaalsContact O-N 3.13Å; Y60-Y63 AromaticContact CD1-CD2 3.81Å; Y60-Y63 HydrophobicContact CD1-CD2 3.81Å; Y60-Y63 HydrophobicContact CD1-CE2 4.45Å; Y60-Y63 AromaticContact CD1-CG 3.87Å; Y60-Y63 HydrophobicContact CD1-CG 3.87Å; Y60-Y63 AromaticContact CE1-CD2 3.96Å; Y60-Y63 HydrophobicContact CE1-CD2 3.96Å; Y60-Y63 HydrophobicContact CE1-CE2 4.18Å; Y60-Y63 HydrophobicContact CE1-CG 4.4Å; Y60-Y63 WeakPolarHBondContact O-CB 3.36Å; Y60-Y63 PolarHBondContact O-N 3.17Å; Y60-L131 HydrophobicContact CD1-CB 4.05Å; Y60-L131 HydrophobicContact CG-CB 4.28Å; Y60-L132 HydrophobicContact CD2-CD2 3.63Å; Y60-L132 HydrophobicContact CD2-CG 4.45Å; Y60-L132 HydrophobicContact CE2-CD2 4.2Å; Y60-S135 WeakPolarHBondContact CE2-OG 3.32Å; Y60-S135 WeakPolarHBondContact OH-CA 3.36Å; Y60-S135 WeakPolarHBondContact OH-CB 3.36Å; Y60-S135 PolarHBondContact OH-OG 2.9Å; Y60-L138 HydrophobicContact CD1-CD1 4.45Å; Y60-L138 HydrophobicContact CE1-CD1 3.58Å; Y60-V154 HydrophobicContact CE1-CG2 4.39Å
61A94.6Very high95.7Very high56 Ų5647.4 Ų47.446%0.46325%0.253SS..THydrogen-bonded Turntrans-56.9-33-178.900000113.5W56W56-A61 WeakPolarHBondContact O-CB 3.21Å; W56-A61 PolarHBondContact O-N 3.47Å
62G92.4Very high95.7Very high48 Ų4851.3 Ų51.350%0.49527%0.274SS..THydrogen-bonded Turntrans-97.2617700000115Y60 C64 Y65Y60-G62 PolarHBondContact O-N 2.94Å; Y60-G62 VanDerWaalsContact O-N 3.13Å; G62-C64 VanDerWaalsContact C-N 3.35Å; G62-C64 PolarHBondContact O-N 2.88Å; G62-Y65 VanDerWaalsContact O-CB 3.29Å; G62-Y65 WeakPolarHBondContact O-CB 3.43Å; G62-Y65 PolarHBondContact O-N 2.87Å; G62-Y65 VanDerWaalsContact O-N 3.08Å
63Y93.8Very high95.7Very high14 Ų1454.3 Ų54.36%0.05529%0.29CS..THydrogen-bonded Turntrans-60.7-39.5-164.4-173.4-105.4000114.4Y60 Y70 L74 L131 L138 E142 R147 V154Y60-Y63 AromaticContact CD1-CD2 3.81Å; Y60-Y63 HydrophobicContact CD1-CD2 3.81Å; Y60-Y63 HydrophobicContact CD1-CE2 4.45Å; Y60-Y63 AromaticContact CD1-CG 3.87Å; Y60-Y63 HydrophobicContact CD1-CG 3.87Å; Y60-Y63 AromaticContact CE1-CD2 3.96Å; Y60-Y63 HydrophobicContact CE1-CD2 3.96Å; Y60-Y63 HydrophobicContact CE1-CE2 4.18Å; Y60-Y63 HydrophobicContact CE1-CG 4.4Å; Y60-Y63 WeakPolarHBondContact O-CB 3.36Å; Y60-Y63 PolarHBondContact O-N 3.17Å; Y63-Y70 AromaticContact CE1-CE1 3.78Å; Y63-Y70 HydrophobicContact CE1-CE1 3.78Å; Y63-Y70 PolarHBondContact OH-OH 2.86Å; Y63-L74 HydrophobicContact CE1-CD2 4.13Å; Y63-L131 HydrophobicContact CD1-CD1 4.27Å; Y63-L138 HydrophobicContact CE1-CD1 4.4Å; Y63-L138 HydrophobicContact CE1-CD2 4.35Å; Y63-E142 WeakPolarHBondContact OH-CG 3.39Å; Y63-E142 PolarHBondContact OH-OE1 2.87Å; Y63-R147 PolarHBondContact O-NH1 3.13Å; Y63-R147 PolarHBondContact O-NH2 2.83Å; Y63-V154 HydrophobicContact CE2-CG2 3.92Å
64C94.4Very high95.7Very high42 Ų4250.7 Ų50.728%0.28427%0.273SS..THydrogen-bonded Turntrans-94.62.1179.5-68.80000114.1G62 N66 A67 C71G62-C64 VanDerWaalsContact C-N 3.35Å; G62-C64 PolarHBondContact O-N 2.88Å; C64-N66 PolarHBondContact O-N 2.85Å; C64-A67 PolarHBondContact O-N 2.87Å; C64-A67 VanDerWaalsContact O-N 3.1Å; C64-C71 WeakPolarHBondContact CA-SG 3.24Å; C64-C71 HydrophobicContact CB-CB 3.81Å; C64-C71 WeakPolarHBondContact CB-SG 3.32Å; C64-C71 WeakPolarHBondContact SG-CB 3.4Å; C64-C71 CovalentContact SG-SG 2.04Å; C64-C71 PolarHBondContact SG-SG 3.3Å
65Y93.7Very high95.7Very high171 Ų17149.4 Ų49.467%0.67127%0.268SS*.THydrogen-bonded Turntrans-64.6127177.7-173.2-104.8000110G62 A67G62-Y65 VanDerWaalsContact O-CB 3.29Å; G62-Y65 WeakPolarHBondContact O-CB 3.43Å; G62-Y65 PolarHBondContact O-N 2.87Å; G62-Y65 VanDerWaalsContact O-N 3.08Å; Y65-A67 PolarHBondContact O-N 2.81Å
66N94.3Very high95.7Very high108 Ų10854 Ų5458%0.57829%0.292SS*.THydrogen-bonded Turntrans57.121.6-173.1-61.1-22.9000115C64 L151C64-N66 PolarHBondContact O-N 2.85Å; N66-L151 HydrophobicContact CB-CD2 4.4Å
67A94.3Very high95.6Very high4 Ų452.6 Ų52.63%0.03329%0.287CS..  trans-128.631-178.700000112.3C64 Y65 Q69 Y70 C71 L151C64-A67 PolarHBondContact O-N 2.87Å; C64-A67 VanDerWaalsContact O-N 3.1Å; Y65-A67 PolarHBondContact O-N 2.81Å; A67-Q69 PolarHBondContact O-N 2.9Å; A67-Y70 HydrophobicContact CB-CD1 4.11Å; A67-Y70 PolarHBondContact O-N 2.77Å; A67-C71 PolarHBondContact O-N 3.26Å; A67-L151 HydrophobicContact CB-CD1 3.56Å
68S92.9Very high95.6Very high85 Ų8548.4 Ų48.459%0.59427%0.269SS*.Hα-helixtrans-54.3-55.4-168.753.90000113Y70 C71 D72S68-Y70 VanDerWaalsContact C-N 3.33Å; S68-Y70 PolarHBondContact O-N 3.47Å; S68-C71 CarbonylContact O-C 3.51Å; S68-C71 PolarHBondContact O-N 2.8Å; S68-D72 VanDerWaalsContact O-CG 3.24Å; S68-D72 PolarHBondContact O-N 2.86Å
69Q95.4Very high95.7Very high120 Ų12052.1 Ų52.156%0.56129%0.289SS*.Hα-helixtrans-58.3-44-179.5-174.863.357.500112.5A67 C71 D72 D73A67-Q69 PolarHBondContact O-N 2.9Å; Q69-C71 VanDerWaalsContact C-N 3.31Å; Q69-C71 PolarHBondContact O-N 3.04Å; Q69-D72 PolarHBondContact O-N 3.21Å; Q69-D73 PolarHBondContact NE2-OD1 2.85Å; Q69-D73 VanDerWaalsContact O-CG 3.24Å; Q69-D73 PolarHBondContact O-N 2.78Å
70Y96.6Very high95.8Very high7 Ų753.4 Ų53.43%0.02730%0.299CS..Hα-helixtrans-59.8-43.2176159.1-97.3000111.4Y63 A67 S68 L74 E142 F145 R147Y63-Y70 AromaticContact CE1-CE1 3.78Å; Y63-Y70 HydrophobicContact CE1-CE1 3.78Å; Y63-Y70 PolarHBondContact OH-OH 2.86Å; A67-Y70 HydrophobicContact CB-CD1 4.11Å; A67-Y70 PolarHBondContact O-N 2.77Å; S68-Y70 VanDerWaalsContact C-N 3.33Å; S68-Y70 PolarHBondContact O-N 3.47Å; Y70-L74 HydrophobicContact CE1-CD2 4.13Å; Y70-L74 VanDerWaalsContact O-CB 3.23Å; Y70-L74 WeakPolarHBondContact O-CB 3.46Å; Y70-L74 PolarHBondContact O-N 2.92Å; Y70-E142 WeakPolarHBondContact OH-CG 3.28Å; Y70-F145 HydrophobicContact CD2-CB 3.72Å; Y70-F145 HydrophobicContact CE2-CB 3.78Å; Y70-R147 HydrophobicContact CD1-CG 4.37Å; Y70-R147 HydrophobicContact CD2-CB 3.86Å; Y70-R147 HydrophobicContact CE1-CG 4.41Å; Y70-R147 HydrophobicContact CE2-CB 3.85Å; Y70-R147 HydrophobicContact CG-CB 4.23Å; Y70-R147 HydrophobicContact CG-CG 4.42Å
71C96.9Very high95.9Very high4 Ų452.9 Ų52.93%0.02730%0.297CS..Hα-helixtrans-72.5-32.4179.9-79.50000112.8C64 A67 S68 Q69 F75C64-C71 WeakPolarHBondContact CA-SG 3.24Å; C64-C71 HydrophobicContact CB-CB 3.81Å; C64-C71 WeakPolarHBondContact CB-SG 3.32Å; C64-C71 WeakPolarHBondContact SG-CB 3.4Å; C64-C71 CovalentContact SG-SG 2.04Å; C64-C71 PolarHBondContact SG-SG 3.3Å; A67-C71 PolarHBondContact O-N 3.26Å; S68-C71 CarbonylContact O-C 3.51Å; S68-C71 PolarHBondContact O-N 2.8Å; Q69-C71 VanDerWaalsContact C-N 3.31Å; Q69-C71 PolarHBondContact O-N 3.04Å; C71-F75 HydrophobicContact CB-CD2 4.17Å; C71-F75 HydrophobicContact CB-CE2 3.99Å; C71-F75 VanDerWaalsContact O-CB 3.27Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 WeakPolarHBondContact O-CD2 3.32Å; C71-F75 VanDerWaalsContact O-CG 3.25Å; C71-F75 WeakPolarHBondContact O-CG 3.27Å; C71-F75 PolarHBondContact O-N 2.95Å
72D97.4Very high96.1Very high87 Ų8750.7 Ų50.747%0.46528%0.278SS..Hα-helixtrans-62.2-52.2172.9-64.9-23.3000109.4S68 Q69 L74 F75 D76S68-D72 VanDerWaalsContact O-CG 3.24Å; S68-D72 PolarHBondContact O-N 2.86Å; Q69-D72 PolarHBondContact O-N 3.21Å; D72-L74 VanDerWaalsContact C-N 3.35Å; D72-L74 PolarHBondContact O-N 2.84Å; D72-F75 PolarHBondContact O-N 3.39Å; D72-D76 WeakPolarHBondContact O-CB 3.39Å; D72-D76 PolarHBondContact O-N 3.23Å
73D97.6Very high96.3Very high62 Ų6250.9 Ų50.933%0.33227%0.274SS..Hα-helixtrans-59.7-43.8177.7-61.4-17.4000112Q69 Y77 F145Q69-D73 PolarHBondContact NE2-OD1 2.85Å; Q69-D73 VanDerWaalsContact O-CG 3.24Å; Q69-D73 PolarHBondContact O-N 2.78Å; D73-Y77 PolarHBondContact O-N 3.32Å; D73-Y77 VanDerWaalsContact O-N 3.13Å; D73-F145 HydrophobicContact CB-CD1 3.87Å; D73-F145 HydrophobicContact CB-CE1 4.49Å; D73-F145 HydrophobicContact CB-CG 4.38Å
74L97.3Very high96.5Very high0 Ų051.9 Ų51.90%028%0.278CS..Hα-helixtrans-61.3-50.1176.4174.767.9000110.9Y63 Y70 D72 Y77 L78 L131 L138 L141 F145Y63-L74 HydrophobicContact CE1-CD2 4.13Å; Y70-L74 HydrophobicContact CE1-CD2 4.13Å; Y70-L74 VanDerWaalsContact O-CB 3.23Å; Y70-L74 WeakPolarHBondContact O-CB 3.46Å; Y70-L74 PolarHBondContact O-N 2.92Å; D72-L74 VanDerWaalsContact C-N 3.35Å; D72-L74 PolarHBondContact O-N 2.84Å; L74-Y77 WeakPolarHBondContact O-CB 3.44Å; L74-Y77 PolarHBondContact O-N 2.75Å; L74-L78 HydrophobicContact CD1-CD1 4.07Å; L74-L78 HydrophobicContact CD1-CG 4.1Å; L74-L78 HydrophobicContact CD2-CD1 4.46Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.27Å; L74-L78 VanDerWaalsContact O-CG 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 2.88Å; L74-L131 HydrophobicContact CD2-CD2 4.36Å; L74-L138 HydrophobicContact CD1-CD2 4.1Å; L74-L138 HydrophobicContact CD2-CD2 3.79Å; L74-L141 HydrophobicContact CD1-CB 4.05Å; L74-L141 HydrophobicContact CD1-CD1 3.97Å; L74-F145 HydrophobicContact CB-CD2 4.37Å; L74-F145 HydrophobicContact CD1-CD2 4.04Å; L74-F145 HydrophobicContact CD1-CE2 4.13Å
75F96.9Very high96.7Very high37 Ų3750 Ų5016%0.16227%0.265CS..Hα-helixtrans-70.9-31.9-175.6-70.8-44.5000112.5C71 D72 L78 N79 I128 L131C71-F75 HydrophobicContact CB-CD2 4.17Å; C71-F75 HydrophobicContact CB-CE2 3.99Å; C71-F75 VanDerWaalsContact O-CB 3.27Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 WeakPolarHBondContact O-CD2 3.32Å; C71-F75 VanDerWaalsContact O-CG 3.25Å; C71-F75 WeakPolarHBondContact O-CG 3.27Å; C71-F75 PolarHBondContact O-N 2.95Å; D72-F75 PolarHBondContact O-N 3.39Å; F75-L78 HydrophobicContact CD1-CD1 4.1Å; F75-L78 HydrophobicContact CE1-CD1 4.47Å; F75-L78 PolarHBondContact O-N 2.82Å; F75-N79 WeakPolarHBondContact O-CB 3.46Å; F75-N79 PolarHBondContact O-N 2.92Å; F75-N79 PolarHBondContact O-ND2 3.23Å; F75-N79 VanDerWaalsContact O-ND2 3.08Å; F75-N79 PolarHBondContact O-OD1 3.12Å; F75-I128 HydrophobicContact CE1-CD1 4.37Å; F75-I128 HydrophobicContact CZ-CD1 3.93Å; F75-L131 HydrophobicContact CE1-CD1 4.21Å; F75-L131 HydrophobicContact CE1-CD2 4.03Å; F75-L131 HydrophobicContact CE1-CG 4.25Å; F75-L131 HydrophobicContact CZ-CD1 4.03Å
76D97.4Very high96.9Very high103 Ų10345 Ų4555%0.55125%0.245SC*.Hα-helixtrans-62.2-44.5171.5-78.4-10000111.3D72 S80D72-D76 WeakPolarHBondContact O-CB 3.39Å; D72-D76 PolarHBondContact O-N 3.23Å; D76-S80 WeakPolarHBondContact O-CB 3.38Å; D76-S80 PolarHBondContact O-N 3.38Å; D76-S80 PolarHBondContact O-OG 3.18Å
77Y97.7Very high97.1Very high17 Ų1742.5 Ų42.57%0.06724%0.236CC..Hα-helixtrans-60.9-49.9172.1167.1-94.5000112D73 L74 N79 S80 N81 L141 F145 I244 T245 E246 E248D73-Y77 PolarHBondContact O-N 3.32Å; D73-Y77 VanDerWaalsContact O-N 3.13Å; L74-Y77 WeakPolarHBondContact O-CB 3.44Å; L74-Y77 PolarHBondContact O-N 2.75Å; Y77-N79 VanDerWaalsContact C-N 3.32Å; Y77-N79 PolarHBondContact O-N 2.73Å; Y77-S80 PolarHBondContact O-N 2.79Å; Y77-N81 WeakPolarHBondContact O-CB 3.42Å; Y77-N81 PolarHBondContact O-N 2.96Å; Y77-L141 HydrophobicContact CD1-CD2 4.32Å; Y77-L141 HydrophobicContact CE1-CD1 4.16Å; Y77-L141 HydrophobicContact CE1-CD2 3.72Å; Y77-F145 AromaticContact CD1-CE2 3.9Å; Y77-F145 HydrophobicContact CD1-CE2 3.9Å; Y77-F145 HydrophobicContact CD1-CZ 4.01Å; Y77-F145 HydrophobicContact CD2-CE2 4.5Å; Y77-F145 AromaticContact CD2-CZ 3.86Å; Y77-F145 HydrophobicContact CD2-CZ 3.86Å; Y77-F145 AromaticContact CG-CE2 3.86Å; Y77-F145 HydrophobicContact CG-CE2 3.86Å; Y77-F145 AromaticContact CG-CZ 3.47Å; Y77-F145 HydrophobicContact CG-CZ 3.47Å; Y77-F145 VanDerWaalsContact CG-CZ 3.47Å; Y77-I244 HydrophobicContact CE2-CG2 4.4Å; Y77-T245 VanDerWaalsContact CE2-C 3.49Å; Y77-T245 VanDerWaalsContact CE2-O 3.29Å; Y77-T245 WeakPolarHBondContact CE2-O 3.32Å; Y77-T245 PolarHBondContact OH-O 3.05Å; Y77-E246 HydrophobicContact CD2-CB 4.43Å; Y77-E246 HydrophobicContact CE2-CB 4.42Å; Y77-E248 PolarHBondContact OH-OE1 2.81Å
78L97.1Very high97.3Very high1 Ų143.9 Ų43.91%0.00524%0.242CC..Hα-helixtrans-63.8-37-178.6-67.7-177.9000112.3L74 F75 I82 M134 L141L74-L78 HydrophobicContact CD1-CD1 4.07Å; L74-L78 HydrophobicContact CD1-CG 4.1Å; L74-L78 HydrophobicContact CD2-CD1 4.46Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.27Å; L74-L78 VanDerWaalsContact O-CG 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 2.88Å; F75-L78 HydrophobicContact CD1-CD1 4.1Å; F75-L78 HydrophobicContact CE1-CD1 4.47Å; F75-L78 PolarHBondContact O-N 2.82Å; L78-I82 WeakPolarHBondContact O-CB 3.3Å; L78-I82 WeakPolarHBondContact O-CD1 3.49Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 3.2Å; L78-M134 HydrophobicContact CD1-SD 4.12Å; L78-M134 HydrophobicContact CD2-CE 3.36Å; L78-M134 HydrophobicContact CD2-SD 3.52Å; L78-M134 VanDerWaalsContact CD2-SD 3.52Å; L78-M134 HydrophobicContact CG-SD 4.46Å; L78-L141 HydrophobicContact CD2-CD1 4.32Å
79N97.4Very high97.6Very high80 Ų8040.5 Ų40.543%0.42822%0.218SC..Hα-helixtrans-65.4-43.7176.4-70.4-20.5000110.9F75 Y77 A83 R130F75-N79 WeakPolarHBondContact O-CB 3.46Å; F75-N79 PolarHBondContact O-N 2.92Å; F75-N79 PolarHBondContact O-ND2 3.23Å; F75-N79 VanDerWaalsContact O-ND2 3.08Å; F75-N79 PolarHBondContact O-OD1 3.12Å; Y77-N79 VanDerWaalsContact C-N 3.32Å; Y77-N79 PolarHBondContact O-N 2.73Å; N79-A83 WeakPolarHBondContact O-CB 3.43Å; N79-A83 PolarHBondContact O-N 3.4Å; N79-R130 PolarHBondContact OD1-NH1 3.06Å; N79-R130 PolarHBondContact OD1-NH2 2.64Å
80S98Very high97.6Very high61 Ų6144.1 Ų44.143%0.42723%0.228SC..Hα-helixtrans-64.5-45.1176.6-56.70000111.5D76 Y77 A83 W84D76-S80 WeakPolarHBondContact O-CB 3.38Å; D76-S80 PolarHBondContact O-N 3.38Å; D76-S80 PolarHBondContact O-OG 3.18Å; Y77-S80 PolarHBondContact O-N 2.79Å; S80-A83 PolarHBondContact O-N 3.46Å; S80-W84 PolarHBondContact O-N 2.79Å
81N98.1Very high97.7Very high3 Ų349.3 Ų49.32%0.01625%0.253CS..Hα-helixtrans-62.8-46.2178.3177.6-114.5000112.6Y77 A83 W84 M85 E246 E248Y77-N81 WeakPolarHBondContact O-CB 3.42Å; Y77-N81 PolarHBondContact O-N 2.96Å; N81-A83 VanDerWaalsContact C-N 3.33Å; N81-A83 PolarHBondContact O-N 3.17Å; N81-W84 PolarHBondContact O-N 2.88Å; N81-M85 WeakPolarHBondContact O-CG 3.31Å; N81-M85 PolarHBondContact O-N 2.74Å; N81-M85 VanDerWaalsContact OD1-CE 3.23Å; N81-M85 WeakPolarHBondContact OD1-CE 3.31Å; N81-E246 WeakPolarHBondContact CA-O 3.11Å; N81-E246 HydrophobicContact CB-CB 4.31Å; N81-E246 PolarHBondContact ND2-O 3.17Å; N81-E248 PolarHBondContact ND2-O 3.12Å
82I97.9Very high97.7Very high10 Ų1052.7 Ų52.75%0.05127%0.266CS..Hα-helixtrans-64.4-39.5176.1-71.2161.9000111L78 W84 M85 R86 L126L78-I82 WeakPolarHBondContact O-CB 3.3Å; L78-I82 WeakPolarHBondContact O-CD1 3.49Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 3.2Å; I82-W84 VanDerWaalsContact C-N 3.32Å; I82-W84 PolarHBondContact O-N 3.13Å; I82-M85 HydrophobicContact CG1-CE 4.06Å; I82-M85 PolarHBondContact O-N 3.33Å; I82-R86 HydrophobicContact CG2-CG 4.37Å; I82-R86 VanDerWaalsContact CG2-CZ 3.44Å; I82-R86 WeakPolarHBondContact O-CB 3.48Å; I82-R86 VanDerWaalsContact O-CG 3.28Å; I82-R86 WeakPolarHBondContact O-CG 3.07Å; I82-R86 PolarHBondContact O-N 3.31Å; I82-L126 HydrophobicContact CD1-CB 4.38Å; I82-L126 HydrophobicContact CD1-CD1 3.75Å; I82-L126 HydrophobicContact CG1-CD1 4.1Å; I82-L126 HydrophobicContact CG2-CD1 4.23Å
83A97.9Very high97.6Very high52 Ų5251.6 Ų51.643%0.4326%0.264SS..Hα-helixtrans-61.6-42.3176.400000111.7N79 S80 N81 R86 S87N79-A83 WeakPolarHBondContact O-CB 3.43Å; N79-A83 PolarHBondContact O-N 3.4Å; S80-A83 PolarHBondContact O-N 3.46Å; N81-A83 VanDerWaalsContact C-N 3.33Å; N81-A83 PolarHBondContact O-N 3.17Å; A83-R86 PolarHBondContact O-N 3.01Å; A83-S87 PolarHBondContact O-N 2.8Å; A83-S87 VanDerWaalsContact O-N 3.12Å
84W98.4Very high97.5Very high36 Ų3654.7 Ų54.714%0.13628%0.281CS..Hα-helixtrans-63.6-50.5173.817475.3000112.1S80 N81 I82 R86 S87 Q88 W98 Y247 E248 V249 F275S80-W84 PolarHBondContact O-N 2.79Å; N81-W84 PolarHBondContact O-N 2.88Å; I82-W84 VanDerWaalsContact C-N 3.32Å; I82-W84 PolarHBondContact O-N 3.13Å; W84-R86 VanDerWaalsContact C-N 3.25Å; W84-R86 PolarHBondContact O-N 2.65Å; W84-S87 PolarHBondContact O-N 3.39Å; W84-S87 PolarHBondContact O-OG 2.97Å; W84-Q88 HydrophobicContact CD2-CG 4.01Å; W84-Q88 HydrophobicContact CG-CG 4.36Å; W84-Q88 HydrophobicContact CH2-CG 4.49Å; W84-Q88 HydrophobicContact CZ2-CG 3.81Å; W84-Q88 WeakPolarHBondContact O-CG 3.48Å; W84-Q88 PolarHBondContact O-N 3.49Å; W84-W98 AromaticContact CH2-CH2 3.52Å; W84-W98 HydrophobicContact CH2-CH2 3.52Å; W84-W98 HydrophobicContact CH2-CZ2 4.18Å; W84-W98 AromaticContact CZ2-CH2 3.97Å; W84-W98 HydrophobicContact CZ2-CH2 3.97Å; W84-W98 HydrophobicContact CZ2-CZ2 4.35Å; W84-W98 AromaticContact CZ3-CH2 3.9Å; W84-W98 HydrophobicContact CZ3-CH2 3.9Å; W84-Y247 AromaticContact CD1-CD1 3.5Å; W84-Y247 VanDerWaalsContact CD1-CD1 3.5Å; W84-Y247 HydrophobicContact CD2-CD1 4.3Å; W84-Y247 AromaticContact CG-CD1 3.87Å; W84-Y247 HydrophobicContact CG-CD1 3.87Å; W84-Y247 VanDerWaalsContact CH2-O 3.28Å; W84-Y247 WeakPolarHBondContact CH2-O 3.46Å; W84-Y247 WeakPolarHBondContact CZ2-O 3.26Å; W84-Y247 VanDerWaalsContact CZ3-C 3.47Å; W84-Y247 AromaticContact NE1-CD1 3.67Å; W84-E248 VanDerWaalsContact CZ3-C 3.43Å; W84-E248 VanDerWaalsContact CZ3-N 3.28Å; W84-E248 VanDerWaalsContact CZ3-O 3.26Å; W84-E248 WeakPolarHBondContact CZ3-O 3.38Å; W84-V249 HydrophobicContact CH2-CG2 4.37Å; W84-V249 HydrophobicContact CZ3-CG2 4.05Å; W84-F275 HydrophobicContact CH2-CD1 4.04Å; W84-F275 HydrophobicContact CZ2-CD1 4.43Å
85M98.6Very high97.5Very high2 Ų258.8 Ų58.81%0.0130%0.3CS..Hα-helixtrans-59.8-35.9178.8-71.4-170.6-69.500112.6N81 I82 S89 V101 L105 V249 P250 I253N81-M85 WeakPolarHBondContact O-CG 3.31Å; N81-M85 PolarHBondContact O-N 2.74Å; N81-M85 VanDerWaalsContact OD1-CE 3.23Å; N81-M85 WeakPolarHBondContact OD1-CE 3.31Å; I82-M85 HydrophobicContact CG1-CE 4.06Å; I82-M85 PolarHBondContact O-N 3.33Å; M85-S89 VanDerWaalsContact O-CB 3.27Å; M85-S89 WeakPolarHBondContact O-CB 3.44Å; M85-S89 PolarHBondContact O-N 3.28Å; M85-S89 PolarHBondContact O-OG 3.16Å; M85-V101 HydrophobicContact CB-CG1 4.33Å; M85-V101 HydrophobicContact SD-CG1 4.38Å; M85-L105 HydrophobicContact CB-CD1 4.11Å; M85-L105 HydrophobicContact CE-CD2 4.22Å; M85-V249 HydrophobicContact CG-CG2 4.49Å; M85-V249 HydrophobicContact SD-CB 4.48Å; M85-V249 HydrophobicContact SD-CG1 4.16Å; M85-V249 HydrophobicContact SD-CG2 4.34Å; M85-P250 HydrophobicContact CE-CG 4.31Å; M85-P250 VanDerWaalsContact SD-CD 3.56Å; M85-P250 HydrophobicContact SD-CG 4.42Å; M85-I253 HydrophobicContact CE-CD1 3.92Å; M85-I253 HydrophobicContact SD-CD1 3.65Å
86R98Very high97.6Very high66 Ų6659.4 Ų59.425%0.24931%0.308CS..Hα-helixtrans-63.4-44.3174-76.2-178.7-170.7140.314.9112I82 A83 W84 S89 Y90 L105 T124I82-R86 HydrophobicContact CG2-CG 4.37Å; I82-R86 VanDerWaalsContact CG2-CZ 3.44Å; I82-R86 WeakPolarHBondContact O-CB 3.48Å; I82-R86 VanDerWaalsContact O-CG 3.28Å; I82-R86 WeakPolarHBondContact O-CG 3.07Å; I82-R86 PolarHBondContact O-N 3.31Å; A83-R86 PolarHBondContact O-N 3.01Å; W84-R86 VanDerWaalsContact C-N 3.25Å; W84-R86 PolarHBondContact O-N 2.65Å; R86-S89 PolarHBondContact O-N 2.93Å; R86-Y90 WeakPolarHBondContact O-CB 3.32Å; R86-Y90 PolarHBondContact O-N 2.9Å; R86-L105 HydrophobicContact CG-CD1 4.08Å; R86-T124 WeakPolarHBondContact CD-OG1 3.48Å; R86-T124 WeakPolarHBondContact CG-OG1 3.46Å; R86-T124 PolarHBondContact NE-O 2.91Å; R86-T124 PolarHBondContact NE-OG1 2.82Å; R86-T124 PolarHBondContact NH2-O 3.25Å
87S98.3Very high97.6Very high56 Ų5654.9 Ų54.939%0.39228%0.284SS..Hα-helixtrans-64.8-44.6179.572.80000111A83 W84 Y90 E91A83-S87 PolarHBondContact O-N 2.8Å; A83-S87 VanDerWaalsContact O-N 3.12Å; W84-S87 PolarHBondContact O-N 3.39Å; W84-S87 PolarHBondContact O-OG 2.97Å; S87-Y90 PolarHBondContact O-N 2.99Å; S87-E91 WeakPolarHBondContact O-CB 3.28Å; S87-E91 PolarHBondContact O-N 2.96Å
88Q98.5Very high97.6Very high32 Ų3254.3 Ų54.315%0.1528%0.281CS..Hα-helixtrans-62.9-44.3176.8-62.9-56.5-76.300112.3W84 Y90 E91 Y92 W98W84-Q88 HydrophobicContact CD2-CG 4.01Å; W84-Q88 HydrophobicContact CG-CG 4.36Å; W84-Q88 HydrophobicContact CH2-CG 4.49Å; W84-Q88 HydrophobicContact CZ2-CG 3.81Å; W84-Q88 WeakPolarHBondContact O-CG 3.48Å; W84-Q88 PolarHBondContact O-N 3.49Å; Q88-Y90 PolarHBondContact O-N 3.34Å; Q88-E91 PolarHBondContact O-N 3.49Å; Q88-Y92 HydrophobicContact CB-CD2 4.48Å; Q88-Y92 WeakPolarHBondContact O-CB 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.11Å; Q88-Y92 PolarHBondContact O-N 3.01Å; Q88-W98 HydrophobicContact CB-CD2 3.76Å; Q88-W98 HydrophobicContact CB-CE3 3.49Å; Q88-W98 VanDerWaalsContact CB-CE3 3.49Å; Q88-W98 HydrophobicContact CB-CH2 3.38Å; Q88-W98 HydrophobicContact CB-CZ2 3.62Å; Q88-W98 HydrophobicContact CB-CZ3 3.31Å; Q88-W98 HydrophobicContact CG-CH2 3.62Å; Q88-W98 HydrophobicContact CG-CZ2 3.83Å; Q88-W98 HydrophobicContact CG-CZ3 4.04Å
89S97.7Very high97.7Very high14 Ų1455.5 Ų55.510%0.09829%0.287CS..Hα-helixtrans-65-28.2178.8-56.40000112.9M85 R86 S93 V101 G102M85-S89 VanDerWaalsContact O-CB 3.27Å; M85-S89 WeakPolarHBondContact O-CB 3.44Å; M85-S89 PolarHBondContact O-N 3.28Å; M85-S89 PolarHBondContact O-OG 3.16Å; R86-S89 PolarHBondContact O-N 2.93Å; S89-S93 WeakPolarHBondContact O-CA 3.38Å; S89-S93 VanDerWaalsContact O-CB 3.32Å; S89-S93 WeakPolarHBondContact O-CB 3.23Å; S89-V101 WeakPolarHBondContact OG-CG1 3.5Å; S89-G102 PolarHBondContact OG-N 3.48Å
90Y96.9Very high97.7Very high197 Ų19751.7 Ų51.777%0.77327%0.267SS*.Hα-helixtrans-77.8-50.9174.7177.7-96.2000111.5R86 S87 Q88 Y92 S93R86-Y90 WeakPolarHBondContact O-CB 3.32Å; R86-Y90 PolarHBondContact O-N 2.9Å; S87-Y90 PolarHBondContact O-N 2.99Å; Q88-Y90 PolarHBondContact O-N 3.34Å; Y90-Y92 PolarHBondContact O-N 3.21Å; Y90-S93 PolarHBondContact O-OG 3.19Å
91E98.1Very high97.7Very high116 Ų11648.8 Ų48.854%0.54225%0.247SC..Hα-helixtrans-64.5-40.6-176.3-173.8175.7-175.400112.4S87 Q88S87-E91 WeakPolarHBondContact O-CB 3.28Å; S87-E91 PolarHBondContact O-N 2.96Å; Q88-E91 PolarHBondContact O-N 3.49Å
92Y97.6Very high97.8Very high75 Ų7548.8 Ų48.829%0.29425%0.248SC..THydrogen-bonded Turntrans-11132.6-175.4-55.4-71.4000112.4Q88 Y90 D94 Q95 W98Q88-Y92 HydrophobicContact CB-CD2 4.48Å; Q88-Y92 WeakPolarHBondContact O-CB 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.11Å; Q88-Y92 PolarHBondContact O-N 3.01Å; Y90-Y92 PolarHBondContact O-N 3.21Å; Y92-D94 PolarHBondContact O-N 3.02Å; Y92-D94 VanDerWaalsContact O-N 3.1Å; Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.31Å; Y92-W98 VanDerWaalsContact CB-CD1 3.43Å; Y92-W98 VanDerWaalsContact O-CB 3.31Å; Y92-W98 WeakPolarHBondContact O-CB 3.48Å
93S95.5Very high97.8Very high63 Ų6348.3 Ų48.344%0.44125%0.246SC..THydrogen-bonded Turntrans-61.4-17.7-175.958.60000115S89 Y90 N99S89-S93 WeakPolarHBondContact O-CA 3.38Å; S89-S93 VanDerWaalsContact O-CB 3.32Å; S89-S93 WeakPolarHBondContact O-CB 3.23Å; Y90-S93 PolarHBondContact O-OG 3.19Å; S93-N99 PolarHBondContact O-ND2 3.14Å
94D95.4Very high97.8Very high127 Ų12745.9 Ų45.968%0.67923%0.225SC*.THydrogen-bonded Turntrans-80.6-21173.665.6-36.6000113Y92Y92-D94 PolarHBondContact O-N 3.02Å; Y92-D94 VanDerWaalsContact O-N 3.1Å
95Q97.2Very high97.8Very high86 Ų8644.1 Ų44.140%0.40222%0.219SC..SBendtrans-79.7130.1175.4-61.2-174.511.800110.4Y92 F97 W98 N99Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.31Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.36Å; Q95-W98 PolarHBondContact O-N 3.34Å; Q95-N99 WeakPolarHBondContact O-CB 3.34Å; Q95-N99 PolarHBondContact O-N 3.38Å
96P97.7Very high97.8Very high51 Ų5144.2 Ų44.233%0.33122%0.219SC..Hα-helixtrans-56.3-40.4-174.6-28.734.8000115.3Q100 S197 L261P96-Q100 VanDerWaalsContact O-CG 3.32Å; P96-Q100 WeakPolarHBondContact O-CG 3.3Å; P96-Q100 PolarHBondContact O-N 3.36Å; P96-Q100 VanDerWaalsContact O-N 3.12Å; P96-S197 VanDerWaalsContact CA-OG 3.25Å; P96-S197 WeakPolarHBondContact CA-OG 3.46Å; P96-L261 HydrophobicContact CB-CD1 4.19Å; P96-L261 HydrophobicContact CB-CD2 4Å
97F98Very high97.9Very high8 Ų841.1 Ų41.14%0.03521%0.207CC..Hα-helixtrans-59.7-54.7178.4-176.8-89.4000111.5Q95 N99 Q100 V101 V249 V257 Q274 F275Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.36Å; F97-N99 PolarHBondContact O-N 3.19Å; F97-Q100 PolarHBondContact O-N 2.87Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; F97-V101 HydrophobicContact CD1-CG2 4Å; F97-V101 HydrophobicContact CE1-CG2 3.66Å; F97-V101 HydrophobicContact CZ-CG2 4.2Å; F97-V101 WeakPolarHBondContact O-CG2 3.34Å; F97-V101 PolarHBondContact O-N 3.15Å; F97-V249 HydrophobicContact CE1-CG2 4.07Å; F97-V249 HydrophobicContact CZ-CG2 4.25Å; F97-V257 HydrophobicContact CD2-CG1 3.56Å; F97-V257 HydrophobicContact CE2-CG1 3.8Å; F97-V257 HydrophobicContact CG-CG1 4.29Å; F97-Q274 HydrophobicContact CD2-CB 4.06Å; F97-Q274 HydrophobicContact CE2-CB 3.64Å; F97-Q274 HydrophobicContact CZ-CB 3.97Å; F97-F275 HydrophobicContact CD1-CD2 4.01Å; F97-F275 HydrophobicContact CD1-CE2 4.01Å; F97-F275 AromaticContact CE1-CD2 3.4Å; F97-F275 HydrophobicContact CE1-CD2 3.4Å; F97-F275 VanDerWaalsContact CE1-CD2 3.4Å; F97-F275 AromaticContact CE1-CE2 3.87Å; F97-F275 HydrophobicContact CE1-CE2 3.87Å; F97-F275 HydrophobicContact CE1-CG 4.4Å; F97-F275 AromaticContact CZ-CD2 3.8Å; F97-F275 HydrophobicContact CZ-CD2 3.8Å
98W98.2Very high97.9Very high4 Ų438.4 Ų38.42%0.01519%0.189CC..Hα-helixtrans-68.5-32.8-177.8-74.9119.4000113.4W84 Q88 Y92 Q95 Q100 V101 G102 V249 F275W84-W98 AromaticContact CH2-CH2 3.52Å; W84-W98 HydrophobicContact CH2-CH2 3.52Å; W84-W98 HydrophobicContact CH2-CZ2 4.18Å; W84-W98 AromaticContact CZ2-CH2 3.97Å; W84-W98 HydrophobicContact CZ2-CH2 3.97Å; W84-W98 HydrophobicContact CZ2-CZ2 4.35Å; W84-W98 AromaticContact CZ3-CH2 3.9Å; W84-W98 HydrophobicContact CZ3-CH2 3.9Å; Q88-W98 HydrophobicContact CB-CD2 3.76Å; Q88-W98 HydrophobicContact CB-CE3 3.49Å; Q88-W98 VanDerWaalsContact CB-CE3 3.49Å; Q88-W98 HydrophobicContact CB-CH2 3.38Å; Q88-W98 HydrophobicContact CB-CZ2 3.62Å; Q88-W98 HydrophobicContact CB-CZ3 3.31Å; Q88-W98 HydrophobicContact CG-CH2 3.62Å; Q88-W98 HydrophobicContact CG-CZ2 3.83Å; Q88-W98 HydrophobicContact CG-CZ3 4.04Å; Y92-W98 VanDerWaalsContact CB-CD1 3.43Å; Y92-W98 VanDerWaalsContact O-CB 3.31Å; Y92-W98 WeakPolarHBondContact O-CB 3.48Å; Q95-W98 PolarHBondContact O-N 3.34Å; W98-Q100 VanDerWaalsContact C-N 3.32Å; W98-Q100 PolarHBondContact O-N 3.3Å; W98-V101 HydrophobicContact CE3-CB 4.01Å; W98-V101 HydrophobicContact CE3-CG1 4.14Å; W98-V101 HydrophobicContact CE3-CG2 4.05Å; W98-V101 HydrophobicContact CZ3-CB 4.38Å; W98-V101 HydrophobicContact CZ3-CG1 4.09Å; W98-V101 HydrophobicContact CZ3-CG2 4.26Å; W98-V101 PolarHBondContact O-N 2.91Å; W98-G102 PolarHBondContact O-N 3.41Å; W98-V249 HydrophobicContact CH2-CG2 4.02Å; W98-V249 HydrophobicContact CZ3-CG2 4.15Å; W98-F275 AromaticContact CE2-CE2 3.99Å; W98-F275 HydrophobicContact CZ2-CD1 4.21Å; W98-F275 HydrophobicContact CZ2-CD2 4.07Å; W98-F275 AromaticContact CZ2-CE1 3.85Å; W98-F275 HydrophobicContact CZ2-CE1 3.85Å; W98-F275 AromaticContact CZ2-CE2 3.71Å; W98-F275 HydrophobicContact CZ2-CE2 3.71Å; W98-F275 HydrophobicContact CZ2-CG 4.31Å; W98-F275 AromaticContact CZ2-CZ 3.59Å; W98-F275 HydrophobicContact CZ2-CZ 3.59Å; W98-F275 AromaticContact NE1-CZ 3.93Å
99N97.9Very high97.8Very high26 Ų2636.9 Ų36.914%0.13918%0.182CC..Hα-helixtrans-57-47.2169.3-168.3-84.5000111.1N33 M34 S93 Q95 F97 G102 T103N33-N99 PolarHBondContact ND2-OD1 2.93Å; M34-N99 WeakPolarHBondContact CE-O 3.49Å; S93-N99 PolarHBondContact O-ND2 3.14Å; Q95-N99 WeakPolarHBondContact O-CB 3.34Å; Q95-N99 PolarHBondContact O-N 3.38Å; F97-N99 PolarHBondContact O-N 3.19Å; N99-G102 PolarHBondContact O-N 2.95Å; N99-T103 PolarHBondContact O-N 3.12Å
100Q98.4Very high97.9Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-73-29179.6-62.8-50.2-53.600113.7P96 F97 W98 G102 T103 M104 F195 V257 L261P96-Q100 VanDerWaalsContact O-CG 3.32Å; P96-Q100 WeakPolarHBondContact O-CG 3.3Å; P96-Q100 PolarHBondContact O-N 3.36Å; P96-Q100 VanDerWaalsContact O-N 3.12Å; F97-Q100 PolarHBondContact O-N 2.87Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; W98-Q100 VanDerWaalsContact C-N 3.32Å; W98-Q100 PolarHBondContact O-N 3.3Å; Q100-G102 VanDerWaalsContact C-N 3.34Å; Q100-T103 WeakPolarHBondContact CA-OG1 3.44Å; Q100-T103 PolarHBondContact O-N 3.42Å; Q100-T103 PolarHBondContact O-OG1 3.4Å; Q100-T103 PolarHBondContact OE1-OG1 2.83Å; Q100-M104 PolarHBondContact O-N 3.44Å; Q100-M104 VanDerWaalsContact O-N 3.13Å; Q100-F195 VanDerWaalsContact OE1-CD2 3.31Å; Q100-V257 HydrophobicContact CB-CB 4.36Å; Q100-V257 HydrophobicContact CB-CG1 4.05Å; Q100-V257 HydrophobicContact CB-CG2 3.84Å; Q100-L261 HydrophobicContact CG-CD1 4.13Å; Q100-L261 HydrophobicContact CG-CD2 3.69Å; Q100-L261 HydrophobicContact CG-CG 3.91Å
101V98.6Very high97.9Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-61.8-45.9167.6174.40000109.8M85 S89 F97 W98 T103 M104 L105 V249 I253 V257M85-V101 HydrophobicContact CB-CG1 4.33Å; M85-V101 HydrophobicContact SD-CG1 4.38Å; S89-V101 WeakPolarHBondContact OG-CG1 3.5Å; F97-V101 HydrophobicContact CD1-CG2 4Å; F97-V101 HydrophobicContact CE1-CG2 3.66Å; F97-V101 HydrophobicContact CZ-CG2 4.2Å; F97-V101 WeakPolarHBondContact O-CG2 3.34Å; F97-V101 PolarHBondContact O-N 3.15Å; W98-V101 HydrophobicContact CE3-CB 4.01Å; W98-V101 HydrophobicContact CE3-CG1 4.14Å; W98-V101 HydrophobicContact CE3-CG2 4.05Å; W98-V101 HydrophobicContact CZ3-CB 4.38Å; W98-V101 HydrophobicContact CZ3-CG1 4.09Å; W98-V101 HydrophobicContact CZ3-CG2 4.26Å; W98-V101 PolarHBondContact O-N 2.91Å; V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 PolarHBondContact O-N 3.12Å; V101-M104 PolarHBondContact O-N 3.36Å; V101-M104 VanDerWaalsContact O-N 3.17Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.24Å; V101-L105 PolarHBondContact O-N 2.99Å; V101-L105 VanDerWaalsContact O-N 3.1Å; V101-V249 HydrophobicContact CG2-CG1 4.32Å; V101-V249 HydrophobicContact CG2-CG2 4.5Å; V101-I253 HydrophobicContact CB-CG2 4.33Å; V101-I253 HydrophobicContact CG1-CG2 4.23Å; V101-I253 HydrophobicContact CG2-CG2 3.95Å; V101-V257 HydrophobicContact CG2-CG2 4.14Å
102G98.4Very high97.9Very high4 Ų421.5 Ų21.54%0.04112%0.115CC..Hα-helixtrans-57.6-41.5175.500000113.3S89 W98 N99 Q100 L105 T106S89-G102 PolarHBondContact OG-N 3.48Å; W98-G102 PolarHBondContact O-N 3.41Å; N99-G102 PolarHBondContact O-N 2.95Å; Q100-G102 VanDerWaalsContact C-N 3.34Å; G102-L105 PolarHBondContact O-N 3.47Å; G102-T106 VanDerWaalsContact O-CB 3.31Å; G102-T106 WeakPolarHBondContact O-CB 3.37Å; G102-T106 PolarHBondContact O-N 2.78Å; G102-T106 PolarHBondContact O-OG1 3.28Å
103T98.6Very high97.9Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-66.2-37.7176.762.90000112N33 M34 A37 N99 Q100 V101 T106 Q107 F195 R260N33-T103 HydrophobicContact CB-CG2 3.76Å; M34-T103 HydrophobicContact CE-CG2 3.56Å; M34-T103 HydrophobicContact SD-CG2 4.32Å; A37-T103 HydrophobicContact CB-CG2 4.3Å; A37-T103 WeakPolarHBondContact CB-O 3.34Å; N99-T103 PolarHBondContact O-N 3.12Å; Q100-T103 WeakPolarHBondContact CA-OG1 3.44Å; Q100-T103 PolarHBondContact O-N 3.42Å; Q100-T103 PolarHBondContact O-OG1 3.4Å; Q100-T103 PolarHBondContact OE1-OG1 2.83Å; V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 PolarHBondContact O-N 3.12Å; T103-T106 PolarHBondContact O-N 3.43Å; T103-Q107 VanDerWaalsContact O-CB 3.28Å; T103-Q107 WeakPolarHBondContact O-CB 3.4Å; T103-Q107 PolarHBondContact O-N 2.83Å; T103-F195 HydrophobicContact CG2-CD1 4.37Å; T103-F195 HydrophobicContact CG2-CD2 4.5Å; T103-F195 HydrophobicContact CG2-CE1 4.29Å; T103-F195 HydrophobicContact CG2-CE2 4.44Å; T103-F195 HydrophobicContact CG2-CG 4.46Å; T103-F195 HydrophobicContact CG2-CZ 4.33Å; T103-R260 PolarHBondContact OG1-NH1 3.11Å
104M98.6Very high97.9Very high0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-63.4-46.1175.7-74.4-57.9-63.400112.6Q100 V101 T106 Q107 L108 L215 W252 I253 M256 R260Q100-M104 PolarHBondContact O-N 3.44Å; Q100-M104 VanDerWaalsContact O-N 3.13Å; V101-M104 PolarHBondContact O-N 3.36Å; V101-M104 VanDerWaalsContact O-N 3.17Å; M104-T106 VanDerWaalsContact C-N 3.3Å; M104-T106 PolarHBondContact O-N 2.95Å; M104-Q107 PolarHBondContact O-N 2.59Å; M104-L108 PolarHBondContact O-N 3.03Å; M104-L108 VanDerWaalsContact O-N 3.12Å; M104-L215 HydrophobicContact CE-CB 4.32Å; M104-W252 HydrophobicContact CE-CE3 3.75Å; M104-W252 HydrophobicContact CE-CZ3 3.49Å; M104-W252 VanDerWaalsContact CE-CZ3 3.49Å; M104-I253 HydrophobicContact CB-CG1 4.29Å; M104-I253 HydrophobicContact CB-CG2 4.12Å; M104-I253 HydrophobicContact CG-CG2 4.13Å; M104-M256 HydrophobicContact CE-CB 3.83Å; M104-M256 HydrophobicContact CE-CG 3.74Å; M104-M256 HydrophobicContact CG-CB 4.28Å; M104-M256 HydrophobicContact SD-CB 3.55Å; M104-M256 VanDerWaalsContact SD-CB 3.55Å; M104-M256 HydrophobicContact SD-CG 4.01Å; M104-R260 PolarHBondContact SD-NH1 2.73Å; M104-R260 PolarHBondContact SD-NH2 3.11Å
105L98.6Very high98Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-61.6-41.8176.2-62.4177.1000111.1M85 R86 V101 G102 L108 A109 T124 L126 I253M85-L105 HydrophobicContact CB-CD1 4.11Å; M85-L105 HydrophobicContact CE-CD2 4.22Å; R86-L105 HydrophobicContact CG-CD1 4.08Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.24Å; V101-L105 PolarHBondContact O-N 2.99Å; V101-L105 VanDerWaalsContact O-N 3.1Å; G102-L105 PolarHBondContact O-N 3.47Å; L105-L108 PolarHBondContact O-N 2.7Å; L105-A109 PolarHBondContact O-N 3.17Å; L105-A109 VanDerWaalsContact O-N 3.12Å; L105-T124 HydrophobicContact CB-CG2 3.84Å; L105-L126 HydrophobicContact CD2-CD1 3.84Å; L105-L126 WeakPolarHBondContact O-CD2 3.04Å; L105-I253 HydrophobicContact CD2-CD1 3.99Å
106T98.4Very high98Very high4 Ų412.7 Ų12.73%0.0256%0.061CC..Hα-helixtrans-69.8-36.9-179.4-57.50000112.6M34 A37 Y38 G102 T103 M104 A109 G110 P122 H123 T124M34-T106 HydrophobicContact CB-CG2 4.39Å; M34-T106 VanDerWaalsContact O-CG2 3.32Å; M34-T106 WeakPolarHBondContact O-CG2 3.43Å; M34-T106 PolarHBondContact SD-OG1 3.43Å; A37-T106 HydrophobicContact CB-CG2 4.29Å; Y38-T106 HydrophobicContact CD2-CG2 4.46Å; G102-T106 VanDerWaalsContact O-CB 3.31Å; G102-T106 WeakPolarHBondContact O-CB 3.37Å; G102-T106 PolarHBondContact O-N 2.78Å; G102-T106 PolarHBondContact O-OG1 3.28Å; T103-T106 PolarHBondContact O-N 3.43Å; M104-T106 VanDerWaalsContact C-N 3.3Å; M104-T106 PolarHBondContact O-N 2.95Å; T106-A109 PolarHBondContact O-N 3.13Å; T106-G110 PolarHBondContact O-N 3.42Å; T106-P122 HydrophobicContact CG2-CB 3.88Å; T106-H123 WeakPolarHBondContact CA-O 3.25Å; T106-T124 WeakPolarHBondContact OG1-CG2 3.39Å
107Q98.6Very high97.8Very high0 Ų014.7 Ų14.70%07%0.069CC..Hα-helixtrans-66.4-37.7175.7-170.6175.70.300111.6A37 G41 T103 M104 G110 L111 L215A37-Q107 HydrophobicContact CB-CB 4.21Å; A37-Q107 WeakPolarHBondContact O-CA 3.25Å; A37-Q107 WeakPolarHBondContact O-CG 3.31Å; G41-Q107 VanDerWaalsContact CA-O 3.32Å; G41-Q107 WeakPolarHBondContact CA-O 3.3Å; T103-Q107 VanDerWaalsContact O-CB 3.28Å; T103-Q107 WeakPolarHBondContact O-CB 3.4Å; T103-Q107 PolarHBondContact O-N 2.83Å; M104-Q107 PolarHBondContact O-N 2.59Å; Q107-G110 PolarHBondContact O-N 3.16Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3.46Å; Q107-L215 HydrophobicContact CB-CD1 3.95Å; Q107-L215 HydrophobicContact CG-CD1 3.75Å; Q107-L215 HydrophobicContact CG-CD2 3.96Å; Q107-L215 HydrophobicContact CG-CG 4.48Å
108L98.5Very high97.5Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-68.2-42.5176.2-177.759.5000112.1M104 L105 G110 L111 E112 L126 F129 R130 Q133 L215 W252M104-L108 PolarHBondContact O-N 3.03Å; M104-L108 VanDerWaalsContact O-N 3.12Å; L105-L108 PolarHBondContact O-N 2.7Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.17Å; L108-L111 HydrophobicContact CD1-CD2 4.48Å; L108-L111 WeakPolarHBondContact O-CB 3.41Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-L111 VanDerWaalsContact O-N 3.15Å; L108-E112 PolarHBondContact O-N 3.17Å; L108-L126 HydrophobicContact CB-CD2 3.83Å; L108-L126 HydrophobicContact CD2-CD1 3.83Å; L108-L126 HydrophobicContact CD2-CD2 3.81Å; L108-L126 HydrophobicContact CD2-CG 4.28Å; L108-L126 HydrophobicContact CG-CD2 3.81Å; L108-F129 HydrophobicContact CD1-CB 4.31Å; L108-R130 HydrophobicContact CD2-CB 4.24Å; L108-Q133 HydrophobicContact CD1-CG 3.87Å; L108-Q133 HydrophobicContact CD2-CG 3.84Å; L108-Q133 HydrophobicContact CG-CG 4.49Å; L108-L215 HydrophobicContact CB-CD1 3.83Å; L108-L215 HydrophobicContact CD1-CD1 4.29Å; L108-W252 HydrophobicContact CB-CH2 4.41Å; L108-W252 HydrophobicContact CD2-CH2 3.85Å; L108-W252 HydrophobicContact CD2-CZ2 4.27Å
109A98.1Very high97Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-56-48.4171.300000111.7L105 T106 L111 E112 D113 H123 L126L105-A109 PolarHBondContact O-N 3.17Å; L105-A109 VanDerWaalsContact O-N 3.12Å; T106-A109 PolarHBondContact O-N 3.13Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.38Å; A109-E112 PolarHBondContact O-N 2.63Å; A109-D113 PolarHBondContact O-N 3.35Å; A109-H123 VanDerWaalsContact CB-CE1 3.41Å; A109-H123 WeakPolarHBondContact CB-CE1 3.31Å; A109-H123 WeakPolarHBondContact CB-ND1 3.15Å; A109-H123 WeakPolarHBondContact CB-O 3.36Å; A109-L126 HydrophobicContact CB-CD2 4.27Å
110G97.9Very high96.6Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-58.1-40.9174.600000112.6G41 L42 T106 Q107 L108 E112 D113 G114G41-G110 CarbonylContact C-O 3.52Å; L42-G110 WeakPolarHBondContact CA-O 3.48Å; L42-G110 VanDerWaalsContact N-C 3.29Å; L42-G110 PolarHBondContact N-O 3.02Å; T106-G110 PolarHBondContact O-N 3.42Å; Q107-G110 PolarHBondContact O-N 3.16Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.17Å; G110-E112 PolarHBondContact O-N 2.83Å; G110-D113 PolarHBondContact O-N 2.88Å; G110-G114 PolarHBondContact O-N 3.12Å
111L98.2Very high96.3Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-61.8-42.7176.9-176.7146.6000112.5G41 E44 G45 I52 Q107 L108 A109 G114 Y115 F129 L215G41-L111 VanDerWaalsContact C-N 3.33Å; G41-L111 VanDerWaalsContact O-CA 3.24Å; G41-L111 WeakPolarHBondContact O-CA 3.15Å; E44-L111 HydrophobicContact CB-CD1 4.34Å; E44-L111 HydrophobicContact CG-CD1 3.96Å; G45-L111 WeakPolarHBondContact CA-O 3.3Å; I52-L111 HydrophobicContact CD1-CD2 4.4Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3.46Å; L108-L111 HydrophobicContact CD1-CD2 4.48Å; L108-L111 WeakPolarHBondContact O-CB 3.41Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-L111 VanDerWaalsContact O-N 3.15Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.38Å; L111-G114 PolarHBondContact O-N 3Å; L111-Y115 WeakPolarHBondContact O-CB 3.39Å; L111-Y115 PolarHBondContact O-N 2.93Å; L111-F129 HydrophobicContact CD2-CD2 3.62Å; L111-F129 HydrophobicContact CD2-CE2 4.26Å; L111-F129 HydrophobicContact CD2-CG 4.47Å; L111-L215 HydrophobicContact CB-CD2 4.48Å; L111-L215 HydrophobicContact CD1-CD2 3.44Å; L111-L215 VanDerWaalsContact CD1-CD2 3.44Å; L111-L215 HydrophobicContact CD1-CG 4.08Å
112E97.7Very high96.2Very high3 Ų330.4 Ų30.41%0.01417%0.171CC..Hα-helixtrans-63.9-46.4175.6-71.1178.1149.500111L108 A109 G110 G114 Y115 Y116 L126 M127 I128 F129L108-E112 PolarHBondContact O-N 3.17Å; A109-E112 PolarHBondContact O-N 2.63Å; G110-E112 PolarHBondContact O-N 2.83Å; E112-G114 VanDerWaalsContact C-N 3.35Å; E112-G114 PolarHBondContact O-N 3.1Å; E112-Y115 WeakPolarHBondContact O-CB 3.39Å; E112-Y115 PolarHBondContact O-N 2.89Å; E112-Y115 VanDerWaalsContact O-N 3.16Å; E112-Y116 WeakPolarHBondContact O-CD2 3.49Å; E112-Y116 PolarHBondContact O-N 2.55Å; E112-L126 WeakPolarHBondContact OE2-CA 3.12Å; E112-M127 VanDerWaalsContact OE1-CA 3.25Å; E112-M127 WeakPolarHBondContact OE1-CA 3.41Å; E112-M127 VanDerWaalsContact OE1-CB 3.3Å; E112-M127 WeakPolarHBondContact OE1-CB 3.4Å; E112-M127 PolarHBondContact OE1-N 2.84Å; E112-M127 PolarHBondContact OE2-N 3.02Å; E112-I128 PolarHBondContact OE1-N 3.21Å; E112-F129 HydrophobicContact CG-CB 4Å; E112-F129 HydrophobicContact CG-CD2 3.71Å; E112-F129 HydrophobicContact CG-CG 4.21Å; E112-F129 PolarHBondContact OE1-N 3.19Å; E112-F129 VanDerWaalsContact OE1-N 3.08Å
113D97.4Very high96.1Very high21 Ų2132.8 Ų32.811%0.11218%0.181CC..Hα-helixtrans-61-42.5176.2-83.2-15.4000112.9Y38 L42 A109 G110 Y115 Y116 D117 T118 H123Y38-D113 HydrophobicContact CE2-CB 4.47Å; Y38-D113 VanDerWaalsContact CE2-OD2 3.29Å; Y38-D113 WeakPolarHBondContact CE2-OD2 3.17Å; Y38-D113 VanDerWaalsContact CZ-OD2 3.32Å; Y38-D113 PolarHBondContact OH-OD2 3.45Å; L42-D113 HydrophobicContact CD1-CB 3.87Å; A109-D113 PolarHBondContact O-N 3.35Å; G110-D113 PolarHBondContact O-N 2.88Å; D113-Y115 VanDerWaalsContact C-N 3.27Å; D113-Y115 PolarHBondContact O-N 3.12Å; D113-Y116 CarbonylContact O-C 3.57Å; D113-Y116 PolarHBondContact O-N 3.46Å; D113-D117 WeakPolarHBondContact O-CA 3.45Å; D113-D117 PolarHBondContact O-N 2.77Å; D113-T118 WeakPolarHBondContact CA-OG1 3.42Å; D113-T118 VanDerWaalsContact CB-O 3.3Å; D113-T118 WeakPolarHBondContact CB-O 3.48Å; D113-T118 PolarHBondContact O-N 3.03Å; D113-T118 PolarHBondContact OD1-OG1 3.22Å; D113-H123 IonicContact OD1-NE2 2.71Å; D113-H123 IonicContact OD2-CD2 3.54Å; D113-H123 IonicContact OD2-NE2 2.66Å; D113-H123 PolarHBondContact OD2-NE2 3.27Å
114G96.6Very high95.9Very high1 Ų134.6 Ų34.61%0.0119%0.192CC..Hα-helixtrans-63.5-36.817700000111.8L42 G45 N46 R49 G110 L111 E112L42-G114 WeakPolarHBondContact O-CA 3.41Å; G45-G114 VanDerWaalsContact C-C 3.44Å; G45-G114 CarbonylContact C-O 3.53Å; N46-G114 VanDerWaalsContact CA-O 3.32Å; N46-G114 WeakPolarHBondContact CA-O 3.08Å; N46-G114 PolarHBondContact N-O 3.29Å; R49-G114 PolarHBondContact NH2-O 2.86Å; G110-G114 PolarHBondContact O-N 3.12Å; L111-G114 PolarHBondContact O-N 3Å; E112-G114 VanDerWaalsContact C-N 3.35Å; E112-G114 PolarHBondContact O-N 3.1Å
115Y97.1Very high95.7Very high40 Ų4040.6 Ų40.616%0.15722%0.22CC..Hα-helixtrans-67.7-42.8174.5177.2-92.2000112.2R49 I52 E53 L111 E112 D113 D117 F129R49-Y115 HydrophobicContact CB-CD2 4.34Å; R49-Y115 WeakPolarHBondContact CD-O 3.32Å; R49-Y115 HydrophobicContact CG-CD2 3.74Å; R49-Y115 HydrophobicContact CG-CE2 3.86Å; R49-Y115 HydrophobicContact CG-CG 4.46Å; R49-Y115 PolarHBondContact NE-O 2.88Å; R49-Y115 PolarHBondContact NH2-O 3.07Å; I52-Y115 HydrophobicContact CB-CD2 3.9Å; I52-Y115 HydrophobicContact CB-CE2 3.97Å; I52-Y115 HydrophobicContact CD1-CD2 4.16Å; I52-Y115 HydrophobicContact CG2-CD2 3.66Å; I52-Y115 HydrophobicContact CG2-CE2 3.72Å; E53-Y115 HydrophobicContact CB-CE2 4.36Å; L111-Y115 WeakPolarHBondContact O-CB 3.39Å; L111-Y115 PolarHBondContact O-N 2.93Å; E112-Y115 WeakPolarHBondContact O-CB 3.39Å; E112-Y115 PolarHBondContact O-N 2.89Å; E112-Y115 VanDerWaalsContact O-N 3.16Å; D113-Y115 VanDerWaalsContact C-N 3.27Å; D113-Y115 PolarHBondContact O-N 3.12Å; Y115-D117 VanDerWaalsContact C-N 3.35Å; Y115-F129 AromaticContact CD1-CE2 3.7Å; Y115-F129 HydrophobicContact CD1-CE2 3.7Å; Y115-F129 AromaticContact CD1-CZ 3.72Å; Y115-F129 HydrophobicContact CD1-CZ 3.72Å; Y115-F129 AromaticContact CD2-CE2 3.92Å; Y115-F129 HydrophobicContact CD2-CE2 3.92Å; Y115-F129 AromaticContact CD2-CZ 3.93Å; Y115-F129 HydrophobicContact CD2-CZ 3.93Å; Y115-F129 HydrophobicContact CE1-CE2 4.26Å; Y115-F129 AromaticContact CE1-CZ 3.79Å; Y115-F129 HydrophobicContact CE1-CZ 3.79Å; Y115-F129 HydrophobicContact CE2-CE2 4.46Å; Y115-F129 HydrophobicContact CE2-CZ 4Å; Y115-F129 AromaticContact CG-CE2 3.51Å; Y115-F129 HydrophobicContact CG-CE2 3.51Å; Y115-F129 AromaticContact CG-CZ 3.8Å; Y115-F129 HydrophobicContact CG-CZ 3.8Å; Y115-F129 AromaticContact CZ-CZ 3.93Å
116Y96.4Very high95.4Very high104 Ų10441.7 Ų41.741%0.40823%0.226SC..Hα-helixtrans-85.2-4-179.6-69.1-65.2000114.8E112 D113 T118 M127E112-Y116 WeakPolarHBondContact O-CD2 3.49Å; E112-Y116 PolarHBondContact O-N 2.55Å; D113-Y116 CarbonylContact O-C 3.57Å; D113-Y116 PolarHBondContact O-N 3.46Å; Y116-T118 VanDerWaalsContact C-N 3.26Å; Y116-M127 HydrophobicContact CD2-SD 4.2Å; Y116-M127 HydrophobicContact CE2-CE 4Å; Y116-M127 HydrophobicContact CE2-SD 3.78Å
117D94.1Very high95.1Very high94 Ų9446.3 Ų46.350%0.50325%0.248SC..THydrogen-bonded Turntrans65.926.7-174.8-137.141.3000113.8N46 R49 D113 Y115 I119N46-D117 PolarHBondContact ND2-OD1 3.47Å; R49-D117 IonicContact CZ-OD1 3.55Å; R49-D117 IonicContact NH1-OD1 2.91Å; R49-D117 VanDerWaalsContact NH2-CB 3.27Å; R49-D117 IonicContact NH2-OD1 3.48Å; R49-D117 PolarHBondContact NH2-OD1 2.83Å; D113-D117 WeakPolarHBondContact O-CA 3.45Å; D113-D117 PolarHBondContact O-N 2.77Å; Y115-D117 VanDerWaalsContact C-N 3.35Å; D117-I119 PolarHBondContact O-N 2.94Å
118T92.1Very high94.7Very high71 Ų7149 Ų4944%0.43626%0.262SS..  trans-100.571.4-178.147.70000110.5D113 Y116 G120D113-T118 WeakPolarHBondContact CA-OG1 3.42Å; D113-T118 VanDerWaalsContact CB-O 3.3Å; D113-T118 WeakPolarHBondContact CB-O 3.48Å; D113-T118 PolarHBondContact O-N 3.03Å; D113-T118 PolarHBondContact OD1-OG1 3.22Å; Y116-T118 VanDerWaalsContact C-N 3.26Å; T118-G120 PolarHBondContact O-N 3.49Å
119I86.7Confident94.6Very high110 Ų11049.1 Ų49.156%0.56426%0.263SS*.  trans-65.9119.7-179.5-54.3177000110L2 L42 D117L2-I119 HydrophobicContact CD1-CD1 4.14Å; L2-I119 HydrophobicContact CD1-CG2 4.47Å; L42-I119 HydrophobicContact CD1-CG1 4.31Å; L42-I119 HydrophobicContact CD2-CG1 4.31Å; L42-I119 HydrophobicContact CD2-CG2 4.12Å; D117-I119 PolarHBondContact O-N 2.94Å
120G89.3Confident94.5Very high43 Ų4350.1 Ų50.144%0.44327%0.266SS..  trans-134.4-149.5-179.600000113.5Y38 T118Y38-G120 WeakPolarHBondContact CE1-O 3.42Å; Y38-G120 WeakPolarHBondContact OH-CA 3.49Å; Y38-G120 PolarHBondContact OH-N 3.31Å; T118-G120 PolarHBondContact O-N 3.49Å
121V93Very high94.4Very high110 Ų11050.2 Ų50.267%0.66727%0.267SS*.  trans-106.2158174.7-65.50000109.7H123V121-H123 PolarHBondContact O-CD2 2.86Å; V121-H123 PolarHBondContact O-N 2.9Å
122P96.1Very high94.3Very high33 Ų3350.2 Ų50.221%0.21427%0.267CS..  trans-50.8128.1176.6-27.635.4000112.6M34 H35 Y38 T106M34-P122 HydrophobicContact CB-CB 4.19Å; H35-P122 HydrophobicContact CB-CG 4.38Å; Y38-P122 HydrophobicContact CD1-CG 4.31Å; Y38-P122 HydrophobicContact CG-CB 4.24Å; Y38-P122 HydrophobicContact CG-CG 4.11Å; T106-P122 HydrophobicContact CG2-CB 3.88Å
123H96.1Very high94.3Very high55 Ų5550.1 Ų50.126%0.25527%0.266SS..  trans-145.8173.1173.567.179.9000110.1T106 A109 D113 V121 H125T106-H123 WeakPolarHBondContact CA-O 3.25Å; A109-H123 VanDerWaalsContact CB-CE1 3.41Å; A109-H123 WeakPolarHBondContact CB-CE1 3.31Å; A109-H123 WeakPolarHBondContact CB-ND1 3.15Å; A109-H123 WeakPolarHBondContact CB-O 3.36Å; D113-H123 IonicContact OD1-NE2 2.71Å; D113-H123 IonicContact OD2-CD2 3.54Å; D113-H123 IonicContact OD2-NE2 2.66Å; D113-H123 PolarHBondContact OD2-NE2 3.27Å; V121-H123 PolarHBondContact O-CD2 2.86Å; V121-H123 PolarHBondContact O-N 2.9Å; H123-H125 PolarHBondContact CE1-O 3.02Å; H123-H125 VanDerWaalsContact CE1-O 3.31Å; H123-H125 PolarHBondContact ND1-N 2.83Å; H123-H125 VanDerWaalsContact ND1-N 3.19Å; H123-H125 PolarHBondContact ND1-O 3.08Å
124T95.1Very high94.3Very high37 Ų3749.4 Ų49.423%0.22726%0.262CS..  trans-119.36.7179.954.10000113.1R86 L105 T106 L126R86-T124 WeakPolarHBondContact CD-OG1 3.48Å; R86-T124 WeakPolarHBondContact CG-OG1 3.46Å; R86-T124 PolarHBondContact NE-O 2.91Å; R86-T124 PolarHBondContact NE-OG1 2.82Å; R86-T124 PolarHBondContact NH2-O 3.25Å; L105-T124 HydrophobicContact CB-CG2 3.84Å; T106-T124 WeakPolarHBondContact OG1-CG2 3.39Å; T124-L126 WeakPolarHBondContact O-CG 3.31Å; T124-L126 PolarHBondContact O-N 3.12Å
125H93.5Very high94.2Very high127 Ų12749.7 Ų49.759%0.58826%0.264SS*.  trans-59.8123.6170-62.5-63.3000111.2H123H123-H125 PolarHBondContact CE1-O 3.02Å; H123-H125 VanDerWaalsContact CE1-O 3.31Å; H123-H125 PolarHBondContact ND1-N 2.83Å; H123-H125 VanDerWaalsContact ND1-N 3.19Å; H123-H125 PolarHBondContact ND1-O 3.08Å
126L93.3Very high94.1Very high23 Ų2347.8 Ų47.812%0.1226%0.257CS..  trans-118138.6-175.4-55.8-176.5000109.7I82 L105 L108 A109 E112 T124I82-L126 HydrophobicContact CD1-CB 4.38Å; I82-L126 HydrophobicContact CD1-CD1 3.75Å; I82-L126 HydrophobicContact CG1-CD1 4.1Å; I82-L126 HydrophobicContact CG2-CD1 4.23Å; L105-L126 HydrophobicContact CD2-CD1 3.84Å; L105-L126 WeakPolarHBondContact O-CD2 3.04Å; L108-L126 HydrophobicContact CB-CD2 3.83Å; L108-L126 HydrophobicContact CD2-CD1 3.83Å; L108-L126 HydrophobicContact CD2-CD2 3.81Å; L108-L126 HydrophobicContact CD2-CG 4.28Å; L108-L126 HydrophobicContact CG-CD2 3.81Å; A109-L126 HydrophobicContact CB-CD2 4.27Å; E112-L126 WeakPolarHBondContact OE2-CA 3.12Å; T124-L126 WeakPolarHBondContact O-CG 3.31Å; T124-L126 PolarHBondContact O-N 3.12Å
127M91.5Very high94.1Very high101 Ų10142.8 Ų42.850%0.49824%0.237SC..  trans-105.3-139177.1-52.5177.466.300110.1E112 Y116 R130E112-M127 VanDerWaalsContact OE1-CA 3.25Å; E112-M127 WeakPolarHBondContact OE1-CA 3.41Å; E112-M127 VanDerWaalsContact OE1-CB 3.3Å; E112-M127 WeakPolarHBondContact OE1-CB 3.4Å; E112-M127 PolarHBondContact OE1-N 2.84Å; E112-M127 PolarHBondContact OE2-N 3.02Å; Y116-M127 HydrophobicContact CD2-SD 4.2Å; Y116-M127 HydrophobicContact CE2-CE 4Å; Y116-M127 HydrophobicContact CE2-SD 3.78Å; M127-R130 WeakPolarHBondContact O-CD 3.28Å; M127-R130 VanDerWaalsContact O-CG 3.28Å; M127-R130 WeakPolarHBondContact O-CG 3.22Å
128I91.2Very high94.2Very high56 Ų5638.3 Ų38.329%0.28721%0.213SC..THydrogen-bonded Turntrans-81-20.2-168.4-15868.6000113.3W56 F75 E112 R130 L131W56-I128 HydrophobicContact CH2-CB 4.27Å; W56-I128 HydrophobicContact CH2-CD1 4.42Å; W56-I128 HydrophobicContact CH2-CG1 3.34Å; W56-I128 HydrophobicContact CH2-CG2 4.05Å; W56-I128 HydrophobicContact CZ2-CG1 3.75Å; W56-I128 HydrophobicContact CZ2-CG2 4.17Å; W56-I128 HydrophobicContact CZ3-CG1 4.2Å; W56-I128 HydrophobicContact CZ3-CG2 4.37Å; F75-I128 HydrophobicContact CE1-CD1 4.37Å; F75-I128 HydrophobicContact CZ-CD1 3.93Å; E112-I128 PolarHBondContact OE1-N 3.21Å; I128-R130 PolarHBondContact O-N 3.2Å; I128-R130 VanDerWaalsContact O-N 3.11Å; I128-L131 HydrophobicContact CD1-CD1 3.95Å; I128-L131 HydrophobicContact CG1-CD1 4.3Å; I128-L131 PolarHBondContact O-N 2.98Å
129F95.5Very high94.4Very high3 Ų336 Ų361%0.01320%0.198CC..THydrogen-bonded Turntrans-72.3-5.4-178.4-68.6-20.3000113.4I52 W56 L108 L111 E112 Y115 L131 L132 Q133I52-F129 HydrophobicContact CG2-CE1 4.01Å; I52-F129 HydrophobicContact CG2-CE2 3.72Å; I52-F129 HydrophobicContact CG2-CZ 3.43Å; I52-F129 VanDerWaalsContact CG2-CZ 3.43Å; W56-F129 HydrophobicContact CD2-CD1 4.49Å; W56-F129 HydrophobicContact CD2-CE1 4.17Å; W56-F129 AromaticContact CE3-CD1 3.91Å; W56-F129 HydrophobicContact CE3-CD1 3.91Å; W56-F129 HydrophobicContact CE3-CE1 4.02Å; W56-F129 HydrophobicContact CG-CE1 4.41Å; W56-F129 HydrophobicContact CZ3-CD1 4.26Å; L108-F129 HydrophobicContact CD1-CB 4.31Å; L111-F129 HydrophobicContact CD2-CD2 3.62Å; L111-F129 HydrophobicContact CD2-CE2 4.26Å; L111-F129 HydrophobicContact CD2-CG 4.47Å; E112-F129 HydrophobicContact CG-CB 4Å; E112-F129 HydrophobicContact CG-CD2 3.71Å; E112-F129 HydrophobicContact CG-CG 4.21Å; E112-F129 PolarHBondContact OE1-N 3.19Å; E112-F129 VanDerWaalsContact OE1-N 3.08Å; Y115-F129 AromaticContact CD1-CE2 3.7Å; Y115-F129 HydrophobicContact CD1-CE2 3.7Å; Y115-F129 AromaticContact CD1-CZ 3.72Å; Y115-F129 HydrophobicContact CD1-CZ 3.72Å; Y115-F129 AromaticContact CD2-CE2 3.92Å; Y115-F129 HydrophobicContact CD2-CE2 3.92Å; Y115-F129 AromaticContact CD2-CZ 3.93Å; Y115-F129 HydrophobicContact CD2-CZ 3.93Å; Y115-F129 HydrophobicContact CE1-CE2 4.26Å; Y115-F129 AromaticContact CE1-CZ 3.79Å; Y115-F129 HydrophobicContact CE1-CZ 3.79Å; Y115-F129 HydrophobicContact CE2-CE2 4.46Å; Y115-F129 HydrophobicContact CE2-CZ 4Å; Y115-F129 AromaticContact CG-CE2 3.51Å; Y115-F129 HydrophobicContact CG-CE2 3.51Å; Y115-F129 AromaticContact CG-CZ 3.8Å; Y115-F129 HydrophobicContact CG-CZ 3.8Å; Y115-F129 AromaticContact CZ-CZ 3.93Å; F129-L131 PolarHBondContact O-N 2.88Å; F129-L132 HydrophobicContact CB-CD1 4.17Å; F129-L132 HydrophobicContact CD1-CD1 3.64Å; F129-L132 HydrophobicContact CD1-CG 4.47Å; F129-L132 HydrophobicContact CE1-CD1 4.22Å; F129-L132 HydrophobicContact CG-CD1 3.98Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 3.4Å; F129-L132 VanDerWaalsContact O-N 3.08Å; F129-Q133 PolarHBondContact O-N 3.36Å; F129-Q133 PolarHBondContact O-NE2 2.99Å
130R95.3Very high94.8Very high20 Ų2031 Ų318%0.07517%0.172CC..Hα-helixtrans-54-34.3162.770.9-171.8176.2178.6-3.9112.7N79 L108 M127 I128 L132 Q133 M134N79-R130 PolarHBondContact OD1-NH1 3.06Å; N79-R130 PolarHBondContact OD1-NH2 2.64Å; L108-R130 HydrophobicContact CD2-CB 4.24Å; M127-R130 WeakPolarHBondContact O-CD 3.28Å; M127-R130 VanDerWaalsContact O-CG 3.28Å; M127-R130 WeakPolarHBondContact O-CG 3.22Å; I128-R130 PolarHBondContact O-N 3.2Å; I128-R130 VanDerWaalsContact O-N 3.11Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 2.67Å; R130-Q133 PolarHBondContact O-N 2.99Å; R130-M134 WeakPolarHBondContact O-CB 3.5Å; R130-M134 VanDerWaalsContact O-CG 3.26Å; R130-M134 WeakPolarHBondContact O-CG 3.32Å; R130-M134 PolarHBondContact O-N 2.89Å; R130-M134 VanDerWaalsContact O-N 3.1Å
131L96Very high95.2Very high2 Ų229 Ų291%0.0115%0.152CC..Hα-helixtrans-64.4-33.5176.9-68.5-179.8000112.7W56 Y60 Y63 L74 F75 I128 F129 Q133 M134 L138W56-L131 HydrophobicContact CH2-CD1 4.21Å; W56-L131 HydrophobicContact CZ3-CB 4.38Å; Y60-L131 HydrophobicContact CD1-CB 4.05Å; Y60-L131 HydrophobicContact CG-CB 4.28Å; Y63-L131 HydrophobicContact CD1-CD1 4.27Å; L74-L131 HydrophobicContact CD2-CD2 4.36Å; F75-L131 HydrophobicContact CE1-CD1 4.21Å; F75-L131 HydrophobicContact CE1-CD2 4.03Å; F75-L131 HydrophobicContact CE1-CG 4.25Å; F75-L131 HydrophobicContact CZ-CD1 4.03Å; I128-L131 HydrophobicContact CD1-CD1 3.95Å; I128-L131 HydrophobicContact CG1-CD1 4.3Å; I128-L131 PolarHBondContact O-N 2.98Å; F129-L131 PolarHBondContact O-N 2.88Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.26Å; L131-M134 PolarHBondContact O-N 2.73Å; L131-L138 HydrophobicContact CD2-CD1 4.08Å; L131-L138 HydrophobicContact CD2-CD2 4.26Å
132L97.2Very high95.4Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-64.2-39.8175.4-69.2170.9000111.1W56 Y60 F129 R130 S135 V214 I218W56-L132 HydrophobicContact CE3-CD1 4.12Å; W56-L132 HydrophobicContact CE3-CD2 4.11Å; W56-L132 HydrophobicContact CE3-CG 3.93Å; W56-L132 HydrophobicContact CZ3-CG 4.22Å; Y60-L132 HydrophobicContact CD2-CD2 3.63Å; Y60-L132 HydrophobicContact CD2-CG 4.45Å; Y60-L132 HydrophobicContact CE2-CD2 4.2Å; F129-L132 HydrophobicContact CB-CD1 4.17Å; F129-L132 HydrophobicContact CD1-CD1 3.64Å; F129-L132 HydrophobicContact CD1-CG 4.47Å; F129-L132 HydrophobicContact CE1-CD1 4.22Å; F129-L132 HydrophobicContact CG-CD1 3.98Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 3.4Å; F129-L132 VanDerWaalsContact O-N 3.08Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 2.67Å; L132-S135 PolarHBondContact O-OG 2.97Å; L132-V214 HydrophobicContact CB-CG2 4.05Å; L132-I218 WeakPolarHBondContact O-CD1 3.4Å
133Q98Very high95.3Very high1 Ų126.3 Ų26.31%0.00513%0.125CC..Hα-helixtrans-70.4-37.2-179-41.1-43.4-57.600111.6L108 F129 R130 L131 S135 G213 L216 W252L108-Q133 HydrophobicContact CD1-CG 3.87Å; L108-Q133 HydrophobicContact CD2-CG 3.84Å; L108-Q133 HydrophobicContact CG-CG 4.49Å; F129-Q133 PolarHBondContact O-N 3.36Å; F129-Q133 PolarHBondContact O-NE2 2.99Å; R130-Q133 PolarHBondContact O-N 2.99Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.26Å; Q133-S135 PolarHBondContact O-N 2.98Å; Q133-G213 PolarHBondContact NE2-O 2.98Å; Q133-L216 HydrophobicContact CB-CD2 4.23Å; Q133-W252 HydrophobicContact CB-CB 4.43Å; Q133-W252 HydrophobicContact CB-CD2 3.54Å; Q133-W252 HydrophobicContact CB-CE3 3.6Å; Q133-W252 HydrophobicContact CB-CG 3.92Å; Q133-W252 HydrophobicContact CB-CH2 4.45Å; Q133-W252 HydrophobicContact CB-CZ2 4.4Å; Q133-W252 HydrophobicContact CB-CZ3 4.04Å; Q133-W252 HydrophobicContact CG-CD2 4.33Å; Q133-W252 HydrophobicContact CG-CE3 4.02Å; Q133-W252 HydrophobicContact CG-CH2 4.23Å; Q133-W252 HydrophobicContact CG-CZ3 3.94Å; Q133-W252 WeakPolarHBondContact O-CB 3.41Å
134M95.9Very high95.3Very high6 Ų625.9 Ų25.93%0.0312%0.123CC..THydrogen-bonded Turntrans-87.218.3-171.7-65-172.475.700113.2L78 R130 L131 G136 D137 L138 L141 P250 W252L78-M134 HydrophobicContact CD1-SD 4.12Å; L78-M134 HydrophobicContact CD2-CE 3.36Å; L78-M134 HydrophobicContact CD2-SD 3.52Å; L78-M134 VanDerWaalsContact CD2-SD 3.52Å; L78-M134 HydrophobicContact CG-SD 4.46Å; R130-M134 WeakPolarHBondContact O-CB 3.5Å; R130-M134 VanDerWaalsContact O-CG 3.26Å; R130-M134 WeakPolarHBondContact O-CG 3.32Å; R130-M134 PolarHBondContact O-N 2.89Å; R130-M134 VanDerWaalsContact O-N 3.1Å; L131-M134 PolarHBondContact O-N 2.73Å; M134-G136 VanDerWaalsContact C-N 3.28Å; M134-G136 PolarHBondContact O-N 2.94Å; M134-D137 HydrophobicContact CB-CB 4.17Å; M134-D137 HydrophobicContact CE-CB 3.99Å; M134-D137 PolarHBondContact O-N 3Å; M134-D137 VanDerWaalsContact O-N 3.08Å; M134-L138 HydrophobicContact CB-CG 4.18Å; M134-L138 WeakPolarHBondContact O-CB 3.44Å; M134-L138 WeakPolarHBondContact O-CG 3.32Å; M134-L138 PolarHBondContact O-N 2.87Å; M134-L141 HydrophobicContact CE-CD1 3.76Å; M134-P250 HydrophobicContact CE-CB 4.21Å; M134-W252 HydrophobicContact CG-CG 4.48Å
135S94.1Very high95.4Very high7 Ų725.9 Ų25.95%0.04912%0.12CC..THydrogen-bonded Turntrans-54.1-45.5-172.8-56.10000112.3Y60 L132 Q133 V154Y60-S135 WeakPolarHBondContact CE2-OG 3.32Å; Y60-S135 WeakPolarHBondContact OH-CA 3.36Å; Y60-S135 WeakPolarHBondContact OH-CB 3.36Å; Y60-S135 PolarHBondContact OH-OG 2.9Å; L132-S135 PolarHBondContact O-OG 2.97Å; Q133-S135 PolarHBondContact O-N 2.98Å; S135-V154 WeakPolarHBondContact O-CG1 3.25Å
136G95Very high95.4Very high0 Ų028.2 Ų28.20%013%0.128CC..THydrogen-bonded Turntrans-71.7-42.717500000113.4M134 L138 M139 Y280M134-G136 VanDerWaalsContact C-N 3.28Å; M134-G136 PolarHBondContact O-N 2.94Å; G136-L138 PolarHBondContact O-N 3.19Å; G136-M139 VanDerWaalsContact O-CB 3.31Å; G136-M139 WeakPolarHBondContact O-CB 3.3Å; G136-M139 WeakPolarHBondContact O-CG 3.17Å; G136-M139 PolarHBondContact O-N 2.93Å; G136-Y280 VanDerWaalsContact C-CG 3.46Å; G136-Y280 VanDerWaalsContact CA-CD2 3.5Å; G136-Y280 VanDerWaalsContact CA-CG 3.45Å
137D97.5Very high95.6Very high0 Ų028.2 Ų28.20%013%0.126CC..Hα-helixtrans-59.2-35.3177.6-65.3-81.8000112.1M134 M139 D140 L141 S251 W252 T279M134-D137 HydrophobicContact CB-CB 4.17Å; M134-D137 HydrophobicContact CE-CB 3.99Å; M134-D137 PolarHBondContact O-N 3Å; M134-D137 VanDerWaalsContact O-N 3.08Å; D137-M139 PolarHBondContact O-N 3.26Å; D137-D140 PolarHBondContact O-N 3.44Å; D137-L141 WeakPolarHBondContact O-CG 3.19Å; D137-L141 PolarHBondContact O-N 3.34Å; D137-L141 VanDerWaalsContact O-N 3.11Å; D137-S251 WeakPolarHBondContact OD1-CB 3.14Å; D137-S251 PolarHBondContact OD1-N 3.49Å; D137-W252 PolarHBondContact OD2-N 2.54Å; D137-T279 VanDerWaalsContact OD1-CB 3.28Å; D137-T279 WeakPolarHBondContact OD1-CB 3.43Å; D137-T279 PolarHBondContact OD1-OG1 3.33Å
138L96.6Very high95.7Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-61.3-25.1177.8-73.5170.4000112.4Y60 Y63 L74 L131 M134 G136 D140 L141 E142Y60-L138 HydrophobicContact CD1-CD1 4.45Å; Y60-L138 HydrophobicContact CE1-CD1 3.58Å; Y63-L138 HydrophobicContact CE1-CD1 4.4Å; Y63-L138 HydrophobicContact CE1-CD2 4.35Å; L74-L138 HydrophobicContact CD1-CD2 4.1Å; L74-L138 HydrophobicContact CD2-CD2 3.79Å; L131-L138 HydrophobicContact CD2-CD1 4.08Å; L131-L138 HydrophobicContact CD2-CD2 4.26Å; M134-L138 HydrophobicContact CB-CG 4.18Å; M134-L138 WeakPolarHBondContact O-CB 3.44Å; M134-L138 WeakPolarHBondContact O-CG 3.32Å; M134-L138 PolarHBondContact O-N 2.87Å; G136-L138 PolarHBondContact O-N 3.19Å; L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 2.8Å; L138-L141 HydrophobicContact CD2-CD1 4.48Å; L138-L141 PolarHBondContact O-N 3.42Å; L138-E142 WeakPolarHBondContact O-CB 3.47Å; L138-E142 WeakPolarHBondContact O-CG 3.41Å; L138-E142 PolarHBondContact O-N 2.75Å
139M94.8Very high95.7Very high23 Ų2332.8 Ų32.811%0.11315%0.145CC..Hα-helixtrans-58.7-41.6176.3-66.5-176.752.400112.3G136 D137 V154 F156 T232G136-M139 VanDerWaalsContact O-CB 3.31Å; G136-M139 WeakPolarHBondContact O-CB 3.3Å; G136-M139 WeakPolarHBondContact O-CG 3.17Å; G136-M139 PolarHBondContact O-N 2.93Å; D137-M139 PolarHBondContact O-N 3.26Å; M139-V154 HydrophobicContact CG-CB 4.35Å; M139-V154 HydrophobicContact CG-CG1 4.11Å; M139-F156 HydrophobicContact CG-CD2 4.36Å; M139-F156 HydrophobicContact SD-CB 3.8Å; M139-F156 HydrophobicContact SD-CD2 3.6Å; M139-F156 VanDerWaalsContact SD-CD2 3.6Å; M139-F156 HydrophobicContact SD-CG 4.17Å; M139-F156 PolarHBondContact SD-N 3Å; M139-T232 HydrophobicContact CE-CG2 3.92Å; M139-T232 HydrophobicContact SD-CG2 4.26Å
140D96.4Very high95.3Very high5 Ų539.9 Ų39.93%0.02718%0.178CC..Hα-helixtrans-83.6-38.7178.8-65.9-64.4000111.4D137 L138 E142 R143 K144 Y241 I244 T279 Y280 T281D137-D140 PolarHBondContact O-N 3.44Å; L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 2.8Å; D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.35Å; D140-R143 PolarHBondContact O-N 3.07Å; D140-K144 PolarHBondContact O-N 3.28Å; D140-Y241 HydrophobicContact CB-CE1 4.02Å; D140-I244 HydrophobicContact CB-CD1 4.33Å; D140-T279 HydrophobicContact CB-CG2 4.21Å; D140-Y280 WeakPolarHBondContact OD2-CA 3.09Å; D140-Y280 PolarHBondContact OD2-N 2.93Å; D140-T281 PolarHBondContact OD2-N 3.11Å
141L97.1Very high95Very high1 Ų140.4 Ų40.41%0.00518%0.182CC..Hα-helixtrans-66.1-32.7177.6-62.3175.1000112.5L74 Y77 L78 M134 D137 L138 R143 K144 F145 I244 T279L74-L141 HydrophobicContact CD1-CB 4.05Å; L74-L141 HydrophobicContact CD1-CD1 3.97Å; Y77-L141 HydrophobicContact CD1-CD2 4.32Å; Y77-L141 HydrophobicContact CE1-CD1 4.16Å; Y77-L141 HydrophobicContact CE1-CD2 3.72Å; L78-L141 HydrophobicContact CD2-CD1 4.32Å; M134-L141 HydrophobicContact CE-CD1 3.76Å; D137-L141 WeakPolarHBondContact O-CG 3.19Å; D137-L141 PolarHBondContact O-N 3.34Å; D137-L141 VanDerWaalsContact O-N 3.11Å; L138-L141 HydrophobicContact CD2-CD1 4.48Å; L138-L141 PolarHBondContact O-N 3.42Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.33Å; L141-K144 HydrophobicContact CD2-CD 4.36Å; L141-K144 PolarHBondContact O-N 3.32Å; L141-F145 HydrophobicContact CB-CD2 4.28Å; L141-F145 HydrophobicContact CB-CE2 4.44Å; L141-F145 HydrophobicContact CD2-CE2 4.02Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 3.26Å; L141-I244 HydrophobicContact CD2-CG2 4Å; L141-T279 HydrophobicContact CD2-CG2 3.79Å; L141-T279 HydrophobicContact CG-CG2 3.97Å
142E96.5Very high94.5Very high4 Ų446.4 Ų46.42%0.01921%0.21CC..Hα-helixtrans-56.9-39.7169.5-80.8-174.9175.900111.9Y63 Y70 L138 D140 K146 R147 S153 V154 R155Y63-E142 WeakPolarHBondContact OH-CG 3.39Å; Y63-E142 PolarHBondContact OH-OE1 2.87Å; Y70-E142 WeakPolarHBondContact OH-CG 3.28Å; L138-E142 WeakPolarHBondContact O-CB 3.47Å; L138-E142 WeakPolarHBondContact O-CG 3.41Å; L138-E142 PolarHBondContact O-N 2.75Å; D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.35Å; E142-K146 WeakPolarHBondContact O-CA 3.08Å; E142-K146 PolarHBondContact O-N 3.27Å; E142-K146 VanDerWaalsContact O-N 3.11Å; E142-R147 HydrophobicContact CB-CB 4.01Å; E142-R147 VanDerWaalsContact CD-CD 3.4Å; E142-R147 HydrophobicContact CG-CB 4.12Å; E142-R147 HydrophobicContact CG-CG 4.46Å; E142-R147 PolarHBondContact O-N 2.99Å; E142-R147 WeakPolarHBondContact OE1-CD 3.25Å; E142-R147 IonicContact OE1-NE 2.79Å; E142-S153 VanDerWaalsContact OE2-CA 3.27Å; E142-S153 WeakPolarHBondContact OE2-CA 3.19Å; E142-S153 WeakPolarHBondContact OE2-CB 3.3Å; E142-S153 PolarHBondContact OE2-OG 3.31Å; E142-V154 PolarHBondContact OE1-N 3.32Å; E142-V154 PolarHBondContact OE2-N 3.08Å; E142-R155 IonicContact OE2-NH1 2.76Å; E142-R155 PolarHBondContact OE2-NH1 3.11Å
143R95Very high94Very high82 Ų8247.6 Ų47.631%0.30922%0.219SC..Hα-helixtrans-76.2-43.3178.6-66.6-171.267.9169.314.8111.4D140 L141 F145 K146 N235 D236 Y241D140-R143 PolarHBondContact O-N 3.07Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.33Å; R143-F145 PolarHBondContact O-N 2.82Å; R143-K146 PolarHBondContact O-N 2.75Å; R143-N235 PolarHBondContact NH1-O 2.99Å; R143-D236 IonicContact CZ-OD1 2.98Å; R143-D236 IonicContact NH1-OD1 2.73Å; R143-D236 PolarHBondContact NH1-OD1 3.23Å; R143-D236 IonicContact NH2-OD1 2.73Å; R143-D236 PolarHBondContact NH2-OD1 3.49Å; R143-Y241 HydrophobicContact CB-CD2 4.16Å; R143-Y241 HydrophobicContact CB-CE1 4.38Å; R143-Y241 HydrophobicContact CB-CE2 3.5Å; R143-Y241 WeakPolarHBondContact CD-OH 3.38Å; R143-Y241 HydrophobicContact CG-CE2 4.4Å
144K95.9Very high93.3Very high46 Ų4648.3 Ų48.320%0.222%0.223CC..Hα-helixtrans-55.8-52.6175.8176.2175.1176.7174.80112.5D140 L141 K146 I244D140-K144 PolarHBondContact O-N 3.28Å; L141-K144 HydrophobicContact CD2-CD 4.36Å; L141-K144 PolarHBondContact O-N 3.32Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.36Å; K144-I244 HydrophobicContact CD-CB 3.89Å; K144-I244 HydrophobicContact CD-CD1 4.43Å; K144-I244 HydrophobicContact CD-CG2 3.73Å; K144-I244 VanDerWaalsContact NZ-C 3.33Å; K144-I244 PolarHBondContact NZ-O 3.47Å
145F96.6Very high92.8Very high37 Ų3753 Ų5316%0.16224%0.24CC..THydrogen-bonded Turntrans-89.311.6-178.9-60-65.4000113.2Y70 D73 L74 Y77 L141 R143 R147Y70-F145 HydrophobicContact CD2-CB 3.72Å; Y70-F145 HydrophobicContact CE2-CB 3.78Å; D73-F145 HydrophobicContact CB-CD1 3.87Å; D73-F145 HydrophobicContact CB-CE1 4.49Å; D73-F145 HydrophobicContact CB-CG 4.38Å; L74-F145 HydrophobicContact CB-CD2 4.37Å; L74-F145 HydrophobicContact CD1-CD2 4.04Å; L74-F145 HydrophobicContact CD1-CE2 4.13Å; Y77-F145 AromaticContact CD1-CE2 3.9Å; Y77-F145 HydrophobicContact CD1-CE2 3.9Å; Y77-F145 HydrophobicContact CD1-CZ 4.01Å; Y77-F145 HydrophobicContact CD2-CE2 4.5Å; Y77-F145 AromaticContact CD2-CZ 3.86Å; Y77-F145 HydrophobicContact CD2-CZ 3.86Å; Y77-F145 AromaticContact CG-CE2 3.86Å; Y77-F145 HydrophobicContact CG-CE2 3.86Å; Y77-F145 AromaticContact CG-CZ 3.47Å; Y77-F145 HydrophobicContact CG-CZ 3.47Å; Y77-F145 VanDerWaalsContact CG-CZ 3.47Å; L141-F145 HydrophobicContact CB-CD2 4.28Å; L141-F145 HydrophobicContact CB-CE2 4.44Å; L141-F145 HydrophobicContact CD2-CE2 4.02Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 3.26Å; R143-F145 PolarHBondContact O-N 2.82Å; F145-R147 PolarHBondContact O-N 3.08Å
146K94.9Very high92.3Very high175 Ų17553.7 Ų53.776%0.76124%0.242SC*.THydrogen-bonded Turntrans54.553.2171-56.1176.6-178.2174.20113.2E142 R143 K144E142-K146 WeakPolarHBondContact O-CA 3.08Å; E142-K146 PolarHBondContact O-N 3.27Å; E142-K146 VanDerWaalsContact O-N 3.11Å; R143-K146 PolarHBondContact O-N 2.75Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.36Å
147R95.7Very high92.1Very high24 Ų2454 Ų549%0.09125%0.246CC..  trans-47.5132.5173.3-176.9173.417985.8-5.4110Y63 Y70 E142 F145 K149 H152Y63-R147 PolarHBondContact O-NH1 3.13Å; Y63-R147 PolarHBondContact O-NH2 2.83Å; Y70-R147 HydrophobicContact CD1-CG 4.37Å; Y70-R147 HydrophobicContact CD2-CB 3.86Å; Y70-R147 HydrophobicContact CE1-CG 4.41Å; Y70-R147 HydrophobicContact CE2-CB 3.85Å; Y70-R147 HydrophobicContact CG-CB 4.23Å; Y70-R147 HydrophobicContact CG-CG 4.42Å; E142-R147 HydrophobicContact CB-CB 4.01Å; E142-R147 VanDerWaalsContact CD-CD 3.4Å; E142-R147 HydrophobicContact CG-CB 4.12Å; E142-R147 HydrophobicContact CG-CG 4.46Å; E142-R147 PolarHBondContact O-N 2.99Å; E142-R147 WeakPolarHBondContact OE1-CD 3.25Å; E142-R147 IonicContact OE1-NE 2.79Å; F145-R147 PolarHBondContact O-N 3.08Å; R147-K149 PolarHBondContact O-N 3.4Å; R147-H152 PolarHBondContact NE-O 2.76Å; R147-H152 PolarHBondContact NH2-O 2.78Å
148P94.8Very high92.1Very high40 Ų4054 Ų5426%0.2625%0.246SC..  trans-55.9124.8-178.4-26.532.7000112.5H150 L151P148-H150 VanDerWaalsContact CB-CE1 3.41Å; P148-H150 WeakPolarHBondContact CB-CE1 3.41Å; P148-H150 PolarHBondContact O-N 3.22Å; P148-L151 HydrophobicContact CB-CD1 4.02Å; P148-L151 HydrophobicContact CB-CG 4.14Å; P148-L151 HydrophobicContact CG-CD1 4.01Å; P148-L151 WeakPolarHBondContact O-CB 3.46Å; P148-L151 PolarHBondContact O-N 2.79Å
149K90.3Very high92.2Very high213 Ų21354 Ų5493%0.92625%0.246SC*.THydrogen-bonded Turntrans-60.1-19.9-172.4-64.1-174.7178.7-1770115.5R147 L151R147-K149 PolarHBondContact O-N 3.4Å; K149-L151 VanDerWaalsContact C-N 3.31Å
150H88.3Confident92.4Very high151 Ų15153 Ų5370%0.69924%0.241SC*.THydrogen-bonded Turntrans-81.5-13.7178.668-87.1000112.7P148P148-H150 VanDerWaalsContact CB-CE1 3.41Å; P148-H150 WeakPolarHBondContact CB-CE1 3.41Å; P148-H150 PolarHBondContact O-N 3.22Å
151L89Confident92.5Very high31 Ų3152.7 Ų52.716%0.16224%0.239CC..SBendtrans-85.9154176.9-60.3178.8000110.3N66 A67 P148 K149 S153N66-L151 HydrophobicContact CB-CD2 4.4Å; A67-L151 HydrophobicContact CB-CD1 3.56Å; P148-L151 HydrophobicContact CB-CD1 4.02Å; P148-L151 HydrophobicContact CB-CG 4.14Å; P148-L151 HydrophobicContact CG-CD1 4.01Å; P148-L151 WeakPolarHBondContact O-CB 3.46Å; P148-L151 PolarHBondContact O-N 2.79Å; K149-L151 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 2.99Å
152H83.8Confident92.6Very high129 Ų12952.7 Ų52.760%0.59724%0.239SC*.  trans-61137.9169.4-176.5-91.2000109.9R147R147-H152 PolarHBondContact NE-O 2.76Å; R147-H152 PolarHBondContact NH2-O 2.78Å
153S87Confident92.7Very high25 Ų2552.7 Ų52.718%0.17524%0.239CC..  trans-117.1139.4-176.7-116.10000108.6E142 L151 R155E142-S153 VanDerWaalsContact OE2-CA 3.27Å; E142-S153 WeakPolarHBondContact OE2-CA 3.19Å; E142-S153 WeakPolarHBondContact OE2-CB 3.3Å; E142-S153 PolarHBondContact OE2-OG 3.31Å; L151-S153 PolarHBondContact O-N 2.99Å; S153-R155 VanDerWaalsContact CB-NH1 3.27Å; S153-R155 VanDerWaalsContact CB-NH2 3.28Å; S153-R155 PolarHBondContact O-N 3.43Å; S153-R155 PolarHBondContact OG-NH1 3.28Å; S153-R155 PolarHBondContact OG-NH2 3.46Å; S153-R155 VanDerWaalsContact OG-NH2 3.16Å
154V83.2Confident92.7Very high16 Ų1649.4 Ų49.410%0.09723%0.228CC..  trans-64.9131.7174.6-176.50000109.3Y60 Y63 S135 M139 E142 F156Y60-V154 HydrophobicContact CE1-CG2 4.39Å; Y63-V154 HydrophobicContact CE2-CG2 3.92Å; S135-V154 WeakPolarHBondContact O-CG1 3.25Å; M139-V154 HydrophobicContact CG-CB 4.35Å; M139-V154 HydrophobicContact CG-CG1 4.11Å; E142-V154 PolarHBondContact OE1-N 3.32Å; E142-V154 PolarHBondContact OE2-N 3.08Å; V154-F156 HydrophobicContact CG1-CD2 4.03Å; V154-F156 HydrophobicContact CG1-CE2 3.54Å; V154-F156 HydrophobicContact CG1-CZ 4.3Å
155R85.3Confident92.5Very high104 Ų10448.4 Ų48.439%0.39223%0.225SC..  trans-140.9126.5178.1-64.1-66.4179.1-95-3.5108.7E142 S153E142-R155 IonicContact OE2-NH1 2.76Å; E142-R155 PolarHBondContact OE2-NH1 3.11Å; S153-R155 VanDerWaalsContact CB-NH1 3.27Å; S153-R155 VanDerWaalsContact CB-NH2 3.28Å; S153-R155 PolarHBondContact O-N 3.43Å; S153-R155 PolarHBondContact OG-NH1 3.28Å; S153-R155 PolarHBondContact OG-NH2 3.46Å; S153-R155 VanDerWaalsContact OG-NH2 3.16Å
156F83.7Confident91.9Very high22 Ų2250.8 Ų50.810%0.09624%0.239CC..  trans-114.8148.9166.1-67-75.3000109M139 V154 S179 I218M139-F156 HydrophobicContact CG-CD2 4.36Å; M139-F156 HydrophobicContact SD-CB 3.8Å; M139-F156 HydrophobicContact SD-CD2 3.6Å; M139-F156 VanDerWaalsContact SD-CD2 3.6Å; M139-F156 HydrophobicContact SD-CG 4.17Å; M139-F156 PolarHBondContact SD-N 3Å; V154-F156 HydrophobicContact CG1-CD2 4.03Å; V154-F156 HydrophobicContact CG1-CE2 3.54Å; V154-F156 HydrophobicContact CG1-CZ 4.3Å; F156-S179 WeakPolarHBondContact CE1-OG 3.33Å; F156-I218 HydrophobicContact CE1-CG2 4.16Å; F156-I218 HydrophobicContact CE2-CG2 4.16Å; F156-I218 HydrophobicContact CZ-CG2 3.74Å
157G91Very high91.3Very high7 Ų751.3 Ų51.37%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-141.5163.7164.600000107.1W178 N334G157-W178 PolarHBondContact N-O 2.8Å; G157-W178 CarbonylContact O-C 3.58Å; G157-W178 WeakPolarHBondContact O-CA 3.34Å; G157-W178 WeakPolarHBondContact O-CB 3.17Å; G157-W178 PolarHBondContact O-N 2.76Å; G157-N334 WeakPolarHBondContact CA-ND2 3.29Å
158C98Very high90.6Very high0 Ų055 Ų550%027%0.265CS..EExtended strand (participates in β ladder)trans-155.3160.9-175.6-71.90000110.4H175 V176 D219 T231 N334 R365C158-H175 VanDerWaalsContact CB-NE2 3.28Å; C158-H175 WeakPolarHBondContact CB-NE2 3.46Å; C158-H175 PolarHBondContact SG-NE2 3.45Å; C158-V176 WeakPolarHBondContact CA-O 3.42Å; C158-D219 PolarHBondContact SG-O 2.97Å; C158-T231 HydrophobicContact CB-CG2 3.54Å; C158-N334 PolarHBondContact N-ND2 2.89Å; C158-N334 PolarHBondContact N-OD1 3.37Å; C158-N334 PolarHBondContact O-OD1 3.11Å; C158-R365 PolarHBondContact O-NH1 3.1Å
159S98.9Very high90.1Very high0 Ų060.1 Ų60.10%028%0.28CS..EExtended strand (participates in β ladder)trans-133.7130.6166.8-63.90000109.7H175 V176 S332 R365 M386 I411S159-H175 CarbonylContact O-C 3.45Å; S159-H175 WeakPolarHBondContact O-CA 3.41Å; S159-H175 PolarHBondContact O-CD2 2.74Å; S159-V176 PolarHBondContact N-O 3.31Å; S159-V176 PolarHBondContact O-N 2.78Å; S159-S332 WeakPolarHBondContact CA-O 3.34Å; S159-R365 VanDerWaalsContact OG-CD 3.31Å; S159-R365 WeakPolarHBondContact OG-CD 3.48Å; S159-R365 PolarHBondContact OG-NH1 3.19Å; S159-M386 VanDerWaalsContact O-CE 3.31Å; S159-M386 WeakPolarHBondContact O-CE 3.2Å; S159-I411 PolarHBondContact OG-O 2.94Å
160A98.9Very high90.2Very high0 Ų050.7 Ų50.70%024%0.239CC..EExtended strand (participates in β ladder)trans-125.6150.417700000110.6S174 T229 T231 M285 A331 S332A160-S174 VanDerWaalsContact CA-O 3.29Å; A160-S174 WeakPolarHBondContact CA-O 3.41Å; A160-T229 HydrophobicContact CB-CG2 4.09Å; A160-T231 HydrophobicContact CB-CG2 4Å; A160-M285 HydrophobicContact CB-CE 3.68Å; A160-M285 HydrophobicContact CB-SD 3.86Å; A160-A331 WeakPolarHBondContact O-CA 3.29Å; A160-S332 PolarHBondContact N-O 2.96Å; A160-S332 PolarHBondContact O-N 3.18Å
161F98.8Very high90.5Very high0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-145125.3179.1-176.4-106.8000109.9L163 S174 Y329 W330 A331 F369 W373 V376 L382 L385 M386F161-L163 HydrophobicContact CD1-CB 4.35Å; F161-L163 HydrophobicContact CE1-CB 3.68Å; F161-L163 HydrophobicContact CE1-CD1 4.5Å; F161-L163 HydrophobicContact CE1-CD2 4.05Å; F161-L163 HydrophobicContact CE1-CG 4.3Å; F161-L163 HydrophobicContact CZ-CB 4.11Å; F161-L163 HydrophobicContact CZ-CD1 4.21Å; F161-L163 HydrophobicContact CZ-CD2 4.43Å; F161-S174 PolarHBondContact N-O 3.39Å; F161-S174 PolarHBondContact O-N 2.84Å; F161-S174 PolarHBondContact O-OG 2.89Å; F161-Y329 HydrophobicContact CD2-CD2 4.01Å; F161-Y329 AromaticContact CE2-CD2 3.44Å; F161-Y329 HydrophobicContact CE2-CD2 3.44Å; F161-Y329 VanDerWaalsContact CE2-CD2 3.44Å; F161-Y329 HydrophobicContact CE2-CE2 4.32Å; F161-Y329 AromaticContact CE2-CG 3.81Å; F161-Y329 HydrophobicContact CE2-CG 3.81Å; F161-Y329 HydrophobicContact CZ-CD2 4.45Å; F161-Y329 HydrophobicContact CZ-CG 4.43Å; F161-W330 WeakPolarHBondContact CA-O 3.44Å; F161-W330 WeakPolarHBondContact CD2-O 3.45Å; F161-A331 HydrophobicContact CD2-CB 4.25Å; F161-F369 HydrophobicContact CB-CE1 3.86Å; F161-F369 HydrophobicContact CB-CZ 4.38Å; F161-F369 AromaticContact CD2-CD1 3.64Å; F161-F369 HydrophobicContact CD2-CD1 3.64Å; F161-F369 AromaticContact CD2-CE1 3.8Å; F161-F369 HydrophobicContact CD2-CE1 3.8Å; F161-F369 HydrophobicContact CE2-CD1 4.14Å; F161-F369 HydrophobicContact CG-CD1 4.31Å; F161-F369 HydrophobicContact CG-CE1 4.04Å; F161-W373 HydrophobicContact CE2-CB 3.84Å; F161-W373 HydrophobicContact CZ-CB 3.73Å; F161-V376 HydrophobicContact CE1-CG2 4.28Å; F161-L382 HydrophobicContact CD1-CD1 3.64Å; F161-L382 HydrophobicContact CE1-CD1 4.12Å; F161-L385 HydrophobicContact CD1-CD2 4.19Å; F161-L385 HydrophobicContact CE1-CD2 3.98Å; F161-L385 HydrophobicContact CE2-CD2 4.33Å; F161-L385 HydrophobicContact CG-CD2 4.45Å; F161-L385 HydrophobicContact CZ-CD2 4.07Å; F161-M386 HydrophobicContact CB-CE 4.06Å; F161-M386 HydrophobicContact CB-SD 3.43Å; F161-M386 WeakPolarHBondContact CB-SD 3.28Å; F161-M386 HydrophobicContact CG-SD 4.31Å
162I98.8Very high90.9Very high1 Ų142.6 Ų42.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-119.9127.5177.8-54.992.7000108V171 F172 F173 M285 V287 F305 I324 Y329 W330I162-V171 HydrophobicContact CG2-CG1 3.66Å; I162-F172 CarbonylContact C-O 3.57Å; I162-F172 VanDerWaalsContact CA-O 3.28Å; I162-F172 WeakPolarHBondContact CA-O 3.25Å; I162-F173 HydrophobicContact CD1-CE2 4.44Å; I162-F173 HydrophobicContact CG1-CD2 3.5Å; I162-F173 VanDerWaalsContact CG1-CD2 3.5Å; I162-F173 HydrophobicContact CG1-CE2 3.83Å; I162-F173 HydrophobicContact CG1-CG 4.45Å; I162-F173 HydrophobicContact CG2-CD2 4.32Å; I162-M285 HydrophobicContact CD1-CB 4.12Å; I162-M285 HydrophobicContact CD1-CG 4.13Å; I162-M285 HydrophobicContact CD1-SD 3.55Å; I162-M285 VanDerWaalsContact CD1-SD 3.55Å; I162-V287 HydrophobicContact CG2-CG2 3.79Å; I162-F305 HydrophobicContact CD1-CE2 4.17Å; I162-F305 HydrophobicContact CD1-CZ 4.33Å; I162-F305 HydrophobicContact CG1-CE2 4.33Å; I162-I324 HydrophobicContact CB-CD1 3.87Å; I162-I324 HydrophobicContact CG2-CD1 3.57Å; I162-Y329 WeakPolarHBondContact O-CA 3.25Å; I162-W330 HydrophobicContact CB-CB 4.22Å; I162-W330 HydrophobicContact CD1-CB 4.23Å; I162-W330 HydrophobicContact CD1-CG 4.23Å; I162-W330 PolarHBondContact N-O 2.87Å; I162-W330 PolarHBondContact O-N 3.46Å
163L98Very high91.7Very high4 Ų436.5 Ų36.52%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-132.5107.7-174178.967.2000110.8F161 M165 V171 F172 G328 W373 V376F161-L163 HydrophobicContact CD1-CB 4.35Å; F161-L163 HydrophobicContact CE1-CB 3.68Å; F161-L163 HydrophobicContact CE1-CD1 4.5Å; F161-L163 HydrophobicContact CE1-CD2 4.05Å; F161-L163 HydrophobicContact CE1-CG 4.3Å; F161-L163 HydrophobicContact CZ-CB 4.11Å; F161-L163 HydrophobicContact CZ-CD1 4.21Å; F161-L163 HydrophobicContact CZ-CD2 4.43Å; L163-M165 HydrophobicContact CD2-CG 4.48Å; L163-M165 HydrophobicContact CD2-SD 3.65Å; L163-M165 HydrophobicContact CG-CG 4.43Å; L163-M165 HydrophobicContact CG-SD 4.04Å; L163-M165 PolarHBondContact O-N 3.34Å; L163-V171 WeakPolarHBondContact O-CA 3.23Å; L163-F172 HydrophobicContact CB-CB 4.27Å; L163-F172 HydrophobicContact CD2-CD2 4.22Å; L163-F172 PolarHBondContact N-O 2.92Å; L163-F172 PolarHBondContact O-N 2.93Å; L163-G328 WeakPolarHBondContact CD1-O 3.21Å; L163-W373 HydrophobicContact CD1-CE3 3.87Å; L163-W373 HydrophobicContact CD1-CZ3 4.14Å; L163-V376 HydrophobicContact CD2-CB 3.73Å; L163-V376 HydrophobicContact CD2-CG1 3.54Å
164P95.9Very high92.2Very high12 Ų1235.3 Ų35.38%0.07816%0.164CC..EExtended strand (participates in β ladder)trans-66118.2166.5-1831.8000110.8L166 I324 Y325P164-L166 HydrophobicContact CB-CD2 4.43Å; P164-L166 PolarHBondContact O-N 3.31Å; P164-I324 HydrophobicContact CG-CD1 3.92Å; P164-I324 HydrophobicContact CG-CG1 3.79Å; P164-I324 HydrophobicContact CG-CG2 4.21Å; P164-Y325 HydrophobicContact CB-CD1 4.44Å; P164-Y325 HydrophobicContact CB-CE1 4.13Å; P164-Y325 HydrophobicContact CB-CE2 4.37Å; P164-Y325 HydrophobicContact CG-CD2 4.39Å; P164-Y325 HydrophobicContact CG-CE2 4.33Å
165M91.7Very high93Very high25 Ų2534.5 Ų34.512%0.12316%0.16CC..EExtended strand (participates in β ladder)trans-9883.9177.5-69-69.3-64.200109.1L163 E167 N168 R169 D170 F172 N377L163-M165 HydrophobicContact CD2-CG 4.48Å; L163-M165 HydrophobicContact CD2-SD 3.65Å; L163-M165 HydrophobicContact CG-CG 4.43Å; L163-M165 HydrophobicContact CG-SD 4.04Å; L163-M165 PolarHBondContact O-N 3.34Å; M165-E167 VanDerWaalsContact C-N 3.31Å; M165-E167 PolarHBondContact O-N 2.8Å; M165-N168 HydrophobicContact CB-CB 4.29Å; M165-N168 PolarHBondContact O-N 3.1Å; M165-N168 VanDerWaalsContact O-N 3.11Å; M165-R169 PolarHBondContact O-N 3.23Å; M165-D170 HydrophobicContact CB-CB 4.16Å; M165-D170 PolarHBondContact N-O 3.5Å; M165-D170 PolarHBondContact O-N 3.27Å; M165-F172 HydrophobicContact CE-CE2 4.45Å; M165-F172 HydrophobicContact CG-CD2 4.08Å; M165-F172 HydrophobicContact CG-CE2 4.05Å; M165-F172 HydrophobicContact CG-CG 4.46Å; M165-F172 HydrophobicContact CG-CZ 4.42Å; M165-F172 HydrophobicContact SD-CD2 4.34Å; M165-F172 HydrophobicContact SD-CE2 4.12Å; M165-N377 WeakPolarHBondContact CE-O 3.2Å
166L85Confident93.6Very high88 Ų8829.6 Ų29.646%0.46114%0.141SC..THydrogen-bonded Turntrans-56.2-41.6-171.2-57.4-178.9000113.4P164 N168 L296 Y325P164-L166 HydrophobicContact CB-CD2 4.43Å; P164-L166 PolarHBondContact O-N 3.31Å; L166-N168 VanDerWaalsContact C-N 3.33Å; L166-N168 PolarHBondContact O-N 2.95Å; L166-L296 HydrophobicContact CB-CD1 4.01Å; L166-L296 HydrophobicContact CD2-CD1 3.88Å; L166-L296 HydrophobicContact CD2-CD2 4.48Å; L166-L296 HydrophobicContact CG-CD1 4.41Å; L166-Y325 HydrophobicContact CD2-CD1 3.5Å; L166-Y325 VanDerWaalsContact CD2-CD1 3.5Å; L166-Y325 HydrophobicContact CD2-CE1 3.46Å; L166-Y325 VanDerWaalsContact CD2-CE1 3.46Å
167E81Confident94.3Very high185 Ų18528.5 Ų28.586%0.86414%0.136SC*.THydrogen-bonded Turntrans-65.6-36.6-179.4-63.5-175.3174.900112.4M165M165-E167 VanDerWaalsContact C-N 3.31Å; M165-E167 PolarHBondContact O-N 2.8Å
168N80.5Confident94.7Very high101 Ų10128.3 Ų28.354%0.5413%0.133SC..THydrogen-bonded Turntrans-96-4.8-175.3-65.4-24.9000113.4M165 L166 D170M165-N168 HydrophobicContact CB-CB 4.29Å; M165-N168 PolarHBondContact O-N 3.1Å; M165-N168 VanDerWaalsContact O-N 3.11Å; L166-N168 VanDerWaalsContact C-N 3.33Å; L166-N168 PolarHBondContact O-N 2.95Å; N168-D170 HydrophobicContact CB-CB 4.27Å; N168-D170 PolarHBondContact O-N 2.7Å
169R86Confident94.6Very high149 Ų14928.4 Ų28.456%0.56213%0.134SC*.THydrogen-bonded Turntrans53.242.9-174.5-53.2173-175.5-1740.3111.6M165 T294M165-R169 PolarHBondContact O-N 3.23Å; R169-T294 VanDerWaalsContact CD-O 3.25Å; R169-T294 WeakPolarHBondContact CD-O 3.25Å; R169-T294 PolarHBondContact NE-O 3.47Å; R169-T294 PolarHBondContact NH1-O 3.31Å
170D90.9Very high94.5Very high15 Ų1529 Ų298%0.0814%0.138CC..EExtended strand (participates in β ladder)trans-124.8162.9-176.8-159.9-5.2000109.3M165 N168 N443 I444M165-D170 HydrophobicContact CB-CB 4.16Å; M165-D170 PolarHBondContact N-O 3.5Å; M165-D170 PolarHBondContact O-N 3.27Å; N168-D170 HydrophobicContact CB-CB 4.27Å; N168-D170 PolarHBondContact O-N 2.7Å; D170-N443 WeakPolarHBondContact OD1-CB 3.33Å; D170-N443 WeakPolarHBondContact OD2-CB 3.33Å; D170-N443 PolarHBondContact OD2-ND2 3.32Å; D170-I444 HydrophobicContact CB-CG2 4.32Å; D170-I444 WeakPolarHBondContact OD1-CB 3.37Å; D170-I444 VanDerWaalsContact OD1-CG2 3.3Å; D170-I444 WeakPolarHBondContact OD1-CG2 3.3Å; D170-I444 PolarHBondContact OD1-N 2.87Å
171V95.8Very high94.4Very high3 Ų329 Ų292%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-132.5115.9170.5179.80000107I162 L163 V287 Y289 V292I162-V171 HydrophobicContact CG2-CG1 3.66Å; L163-V171 WeakPolarHBondContact O-CA 3.23Å; V171-V287 HydrophobicContact CB-CG1 4.49Å; V171-V287 HydrophobicContact CG1-CG1 4.11Å; V171-V287 HydrophobicContact CG1-CG2 4.42Å; V171-Y289 HydrophobicContact CB-CE1 4.1Å; V171-Y289 WeakPolarHBondContact O-CE1 3.23Å; V171-Y289 PolarHBondContact O-OH 2.91Å; V171-V292 HydrophobicContact CG2-CG1 4.01Å; V171-V292 HydrophobicContact CG2-CG2 3.71Å
172F97.9Very high94.3Very high9 Ų929.8 Ų29.84%0.03914%0.142CC..EExtended strand (participates in β ladder)trans-77.3136.3168.7-68.8-25.2000110I162 L163 M165 V376 M379 L382 N443I162-F172 CarbonylContact C-O 3.57Å; I162-F172 VanDerWaalsContact CA-O 3.28Å; I162-F172 WeakPolarHBondContact CA-O 3.25Å; L163-F172 HydrophobicContact CB-CB 4.27Å; L163-F172 HydrophobicContact CD2-CD2 4.22Å; L163-F172 PolarHBondContact N-O 2.92Å; L163-F172 PolarHBondContact O-N 2.93Å; M165-F172 HydrophobicContact CE-CE2 4.45Å; M165-F172 HydrophobicContact CG-CD2 4.08Å; M165-F172 HydrophobicContact CG-CE2 4.05Å; M165-F172 HydrophobicContact CG-CG 4.46Å; M165-F172 HydrophobicContact CG-CZ 4.42Å; M165-F172 HydrophobicContact SD-CD2 4.34Å; M165-F172 HydrophobicContact SD-CE2 4.12Å; F172-V376 HydrophobicContact CD2-CG1 4.05Å; F172-V376 HydrophobicContact CE2-CG1 4.27Å; F172-M379 HydrophobicContact CD1-CE 4.36Å; F172-M379 HydrophobicContact CE1-CE 4.37Å; F172-L382 HydrophobicContact CB-CD2 3.76Å; F172-L382 HydrophobicContact CD2-CB 4.44Å; F172-L382 HydrophobicContact CD2-CD2 4.09Å; F172-L382 HydrophobicContact CG-CD2 3.89Å; F172-N443 HydrophobicContact CD1-CB 3.64Å; F172-N443 HydrophobicContact CE1-CB 3.84Å
173F98.6Very high94.1Very high0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-135.4113.8-178.7-175.2-90.1000109.3I162 Y221 A227 T229 V287 Y289 A441 T442I162-F173 HydrophobicContact CD1-CE2 4.44Å; I162-F173 HydrophobicContact CG1-CD2 3.5Å; I162-F173 VanDerWaalsContact CG1-CD2 3.5Å; I162-F173 HydrophobicContact CG1-CE2 3.83Å; I162-F173 HydrophobicContact CG1-CG 4.45Å; I162-F173 HydrophobicContact CG2-CD2 4.32Å; F173-Y221 HydrophobicContact CD1-CD2 4.29Å; F173-Y221 AromaticContact CD1-CE2 3.48Å; F173-Y221 HydrophobicContact CD1-CE2 3.48Å; F173-Y221 VanDerWaalsContact CD1-CE2 3.48Å; F173-Y221 AromaticContact CD1-CZ 3.96Å; F173-Y221 AromaticContact CE1-CD2 3.96Å; F173-Y221 HydrophobicContact CE1-CD2 3.96Å; F173-Y221 AromaticContact CE1-CE2 3.61Å; F173-Y221 HydrophobicContact CE1-CE2 3.61Å; F173-Y221 PolarHBondContact O-OH 3.26Å; F173-Y221 VanDerWaalsContact O-OH 3.08Å; F173-A227 HydrophobicContact CD1-CB 3.62Å; F173-A227 HydrophobicContact CD2-CB 4.2Å; F173-A227 HydrophobicContact CE1-CB 3.67Å; F173-A227 HydrophobicContact CE2-CB 4.24Å; F173-A227 HydrophobicContact CG-CB 3.88Å; F173-A227 HydrophobicContact CZ-CB 3.96Å; F173-T229 HydrophobicContact CE1-CG2 3.69Å; F173-T229 HydrophobicContact CE2-CG2 3.91Å; F173-T229 HydrophobicContact CZ-CG2 3.21Å; F173-V287 HydrophobicContact CD2-CB 4.14Å; F173-V287 HydrophobicContact CD2-CG2 3.6Å; F173-V287 HydrophobicContact CE2-CB 4.37Å; F173-V287 HydrophobicContact CE2-CG2 3.87Å; F173-Y289 WeakPolarHBondContact CB-OH 3.39Å; F173-A441 CarbonylContact O-C 3.47Å; F173-A441 WeakPolarHBondContact O-CA 3.17Å; F173-T442 HydrophobicContact CB-CG2 4.05Å; F173-T442 HydrophobicContact CD1-CG2 4.43Å; F173-T442 PolarHBondContact N-O 2.77Å; F173-T442 PolarHBondContact O-N 3.11Å
174S98.9Very high94.1Very high0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-139.6152.1-169.266.60000113.7A160 F161 M386 K440A160-S174 VanDerWaalsContact CA-O 3.29Å; A160-S174 WeakPolarHBondContact CA-O 3.41Å; F161-S174 PolarHBondContact N-O 3.39Å; F161-S174 PolarHBondContact O-N 2.84Å; F161-S174 PolarHBondContact O-OG 2.89Å; S174-M386 WeakPolarHBondContact OG-CG 3.46Å; S174-K440 CarbonylContact C-O 3.54Å; S174-K440 VanDerWaalsContact CA-O 3.23Å; S174-K440 WeakPolarHBondContact CA-O 3.33Å
175H98.9Very high94.1Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-149142.1-174.3-178.7-119.7000111.5C158 S159 T177 D219 D220 Y221 T229 E230 L439 K440C158-H175 VanDerWaalsContact CB-NE2 3.28Å; C158-H175 WeakPolarHBondContact CB-NE2 3.46Å; C158-H175 PolarHBondContact SG-NE2 3.45Å; S159-H175 CarbonylContact O-C 3.45Å; S159-H175 WeakPolarHBondContact O-CA 3.41Å; S159-H175 PolarHBondContact O-CD2 2.74Å; H175-T177 PolarHBondContact CE1-OG1 2.67Å; H175-D219 VanDerWaalsContact CE1-C 3.48Å; H175-D219 PolarHBondContact CE1-O 2.89Å; H175-D219 VanDerWaalsContact CE1-O 3.22Å; H175-D220 PolarHBondContact ND1-O 3.29Å; H175-Y221 HydrophobicContact CB-CD2 3.56Å; H175-Y221 HydrophobicContact CB-CE2 4.11Å; H175-T229 WeakPolarHBondContact CB-OG1 3.47Å; H175-T229 PolarHBondContact CD2-OG1 3.13Å; H175-E230 PolarHBondContact NE2-O 3.2Å; H175-L439 CarbonylContact O-C 3.59Å; H175-L439 WeakPolarHBondContact O-CA 3.48Å; H175-K440 PolarHBondContact N-O 2.72Å; H175-K440 WeakPolarHBondContact ND1-CE 3.5Å; H175-K440 PolarHBondContact ND1-NZ 2.91Å; H175-K440 VanDerWaalsContact ND1-NZ 3.11Å; H175-K440 PolarHBondContact O-N 2.74Å
176V98.9Very high94.3Very high0 Ų029 Ų290%014%0.138CC..EExtended strand (participates in β ladder)trans-129.4111.5175.6172.10000107.3C158 S159 M386 D438 L439C158-V176 WeakPolarHBondContact CA-O 3.42Å; S159-V176 PolarHBondContact N-O 3.31Å; S159-V176 PolarHBondContact O-N 2.78Å; V176-M386 HydrophobicContact CB-CE 4.39Å; V176-M386 HydrophobicContact CG2-CB 3.88Å; V176-M386 HydrophobicContact CG2-CE 3.81Å; V176-M386 WeakPolarHBondContact CG2-O 3.3Å; V176-D438 WeakPolarHBondContact CG1-O 3.43Å; V176-L439 HydrophobicContact CG2-CB 4.2Å; V176-L439 HydrophobicContact CG2-CD1 4.5Å; V176-L439 HydrophobicContact CG2-CG 4.47Å
177T98.8Very high94.9Very high0 Ų024.8 Ų24.80%012%0.116CC..EExtended strand (participates in β ladder)trans-75.7133.6175.9-64.30000109.3H175 D219 G436 T437 D438 K440H175-T177 PolarHBondContact CE1-OG1 2.67Å; T177-D219 WeakPolarHBondContact OG1-CA 3.23Å; T177-D219 WeakPolarHBondContact OG1-CB 3.24Å; T177-D219 PolarHBondContact OG1-O 2.79Å; T177-D219 PolarHBondContact OG1-OD1 2.92Å; T177-G436 CarbonylContact O-C 3.51Å; T177-G436 VanDerWaalsContact O-CA 3.28Å; T177-G436 WeakPolarHBondContact O-CA 3.45Å; T177-T437 PolarHBondContact O-N 3.15Å; T177-T437 PolarHBondContact O-OG1 3.27Å; T177-D438 PolarHBondContact N-OD1 3.1Å; T177-K440 PolarHBondContact OG1-NZ 3.43Å
178W98.3Very high95.6Very high2 Ų216.1 Ų16.11%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-106.6123.5164.9-51.75.6000109.7G157 E408 A410 I411 A413 G435G157-W178 PolarHBondContact N-O 2.8Å; G157-W178 CarbonylContact O-C 3.58Å; G157-W178 WeakPolarHBondContact O-CA 3.34Å; G157-W178 WeakPolarHBondContact O-CB 3.17Å; G157-W178 PolarHBondContact O-N 2.76Å; W178-E408 VanDerWaalsContact CH2-O 3.25Å; W178-E408 WeakPolarHBondContact CH2-O 3.49Å; W178-E408 HydrophobicContact CZ3-CG 4.31Å; W178-A410 WeakPolarHBondContact CH2-O 3.44Å; W178-A410 WeakPolarHBondContact CZ2-O 3.46Å; W178-I411 VanDerWaalsContact CZ2-O 3.22Å; W178-I411 WeakPolarHBondContact CZ2-O 3.48Å; W178-I411 PolarHBondContact NE1-O 3.31Å; W178-A413 HydrophobicContact CD2-CB 3.78Å; W178-A413 HydrophobicContact CE3-CB 3.62Å; W178-A413 HydrophobicContact CH2-CB 3.54Å; W178-A413 HydrophobicContact CZ2-CB 3.69Å; W178-A413 HydrophobicContact CZ3-CB 3.51Å; W178-G435 WeakPolarHBondContact CA-O 3.33Å
179S97.2Very high96.4Very high2 Ų211.3 Ų11.31%0.0145%0.05CC..EExtended strand (participates in β ladder)trans-150.4173.8-178.8-168.30000110.1F156 T183 H434 G435F156-S179 WeakPolarHBondContact CE1-OG 3.33Å; S179-T183 WeakPolarHBondContact OG-CG2 3.43Å; S179-T183 PolarHBondContact OG-OG1 3.35Å; S179-H434 WeakPolarHBondContact O-CA 3.3Å; S179-H434 PolarHBondContact O-CD2 2.82Å; S179-G435 PolarHBondContact N-O 2.7Å; S179-G435 VanDerWaalsContact N-O 3.11Å; S179-G435 PolarHBondContact O-N 2.97Å
180S96.1Very high97Very high12 Ų124.2 Ų4.28%0.0842%0.023CC..EExtended strand (participates in β ladder)trans-65.5143.7169-177.10000110.6D182 T183 P433S180-D182 VanDerWaalsContact C-N 3.25Å; S180-D182 WeakPolarHBondContact CB-OD1 3.45Å; S180-D182 PolarHBondContact O-N 3.26Å; S180-D182 PolarHBondContact OG-OD1 2.94Å; S180-T183 WeakPolarHBondContact O-CB 3.35Å; S180-T183 WeakPolarHBondContact O-CG2 3.31Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 VanDerWaalsContact O-N 3.09Å; S180-T183 PolarHBondContact O-OG1 2.99Å; S180-P433 CarbonylContact C-O 3.48Å; S180-P433 VanDerWaalsContact CA-O 3.25Å; S180-P433 WeakPolarHBondContact CA-O 3.32Å; S180-P433 PolarHBondContact OG-O 2.94Å
181Y96.9Very high97.3Very high0 Ų03.6 Ų3.60%02%0.02CC..G310 helixtrans-69.7-20.9-171.7-74.3-0.8000113.6T183 M184 D416 P433 H434 T437 P458 F466 W468 H482Y181-T183 PolarHBondContact O-N 2.79Å; Y181-M184 HydrophobicContact CD1-CE 4.37Å; Y181-M184 HydrophobicContact CD1-SD 4.34Å; Y181-M184 HydrophobicContact CG-CE 4Å; Y181-M184 WeakPolarHBondContact O-CB 3.32Å; Y181-M184 VanDerWaalsContact O-CE 3.27Å; Y181-M184 WeakPolarHBondContact O-CE 3.36Å; Y181-M184 WeakPolarHBondContact O-CG 3.4Å; Y181-M184 PolarHBondContact O-N 3.45Å; Y181-D416 HydrophobicContact CE2-CB 3.72Å; Y181-D416 PolarHBondContact OH-OD1 2.89Å; Y181-P433 PolarHBondContact N-O 3.42Å; Y181-H434 VanDerWaalsContact CE1-C 3.42Å; Y181-H434 PolarHBondContact OH-O 2.93Å; Y181-T437 HydrophobicContact CD1-CG2 3.83Å; Y181-T437 HydrophobicContact CE1-CG2 4.12Å; Y181-P458 HydrophobicContact CD1-CG 4.39Å; Y181-P458 HydrophobicContact CE1-CB 4.5Å; Y181-P458 HydrophobicContact CE1-CG 3.87Å; Y181-P458 HydrophobicContact CE2-CG 4.08Å; Y181-F466 HydrophobicContact CD2-CD1 4.44Å; Y181-F466 AromaticContact CD2-CD2 3.87Å; Y181-F466 HydrophobicContact CD2-CD2 3.87Å; Y181-F466 HydrophobicContact CD2-CE1 4.15Å; Y181-F466 AromaticContact CD2-CE2 3.53Å; Y181-F466 HydrophobicContact CD2-CE2 3.53Å; Y181-F466 HydrophobicContact CD2-CG 4.31Å; Y181-F466 AromaticContact CD2-CZ 3.69Å; Y181-F466 HydrophobicContact CD2-CZ 3.69Å; Y181-F466 AromaticContact CE2-CD2 3.71Å; Y181-F466 HydrophobicContact CE2-CD2 3.71Å; Y181-F466 AromaticContact CE2-CE2 3.8Å; Y181-F466 HydrophobicContact CE2-CE2 3.8Å; Y181-F466 HydrophobicContact CE2-CG 4.22Å; Y181-F466 HydrophobicContact CE2-CZ 4.38Å; Y181-W468 WeakPolarHBondContact O-CZ2 3.38Å; Y181-H482 PolarHBondContact O-CE1 3.33Å; Y181-H482 VanDerWaalsContact O-CE1 3.31Å
182D95.5Very high97.4Very high17 Ų175.2 Ų5.29%0.0913%0.027CC..G310 helixtrans-67.5-11.6171.155.6-7.7000113.6N58 S180 P478 H482N58-D182 HydrophobicContact CB-CB 4.38Å; N58-D182 VanDerWaalsContact CB-O 3.3Å; N58-D182 WeakPolarHBondContact CB-O 3.33Å; S180-D182 VanDerWaalsContact C-N 3.25Å; S180-D182 WeakPolarHBondContact CB-OD1 3.45Å; S180-D182 PolarHBondContact O-N 3.26Å; S180-D182 PolarHBondContact OG-OD1 2.94Å; D182-P478 WeakPolarHBondContact CB-O 3.44Å; D182-H482 PolarHBondContact O-CE1 3.08Å; D182-H482 VanDerWaalsContact O-CE1 3.27Å
183T96.2Very high97.4Very high15 Ų155 Ų59%0.0923%0.026CC..G310 helixtrans-84-9.1174.672.70000114T59 S179 S180 Y181 L185 Y211T59-T183 HydrophobicContact CG2-CG2 4.07Å; S179-T183 WeakPolarHBondContact OG-CG2 3.43Å; S179-T183 PolarHBondContact OG-OG1 3.35Å; S180-T183 WeakPolarHBondContact O-CB 3.35Å; S180-T183 WeakPolarHBondContact O-CG2 3.31Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 VanDerWaalsContact O-N 3.09Å; S180-T183 PolarHBondContact O-OG1 2.99Å; Y181-T183 PolarHBondContact O-N 2.79Å; T183-L185 PolarHBondContact O-N 2.94Å; T183-Y211 VanDerWaalsContact O-CD1 3.24Å; T183-Y211 WeakPolarHBondContact O-CD1 3.15Å; T183-Y211 WeakPolarHBondContact O-CE1 3.42Å
184M96.5Very high97.3Very high4 Ų45.8 Ų5.82%0.023%0.031CC..  trans-69.919.1-169-64.4-169.2-63.900116.9Y181 R186 T437 P458 F466 W468 F486Y181-M184 HydrophobicContact CD1-CE 4.37Å; Y181-M184 HydrophobicContact CD1-SD 4.34Å; Y181-M184 HydrophobicContact CG-CE 4Å; Y181-M184 WeakPolarHBondContact O-CB 3.32Å; Y181-M184 VanDerWaalsContact O-CE 3.27Å; Y181-M184 WeakPolarHBondContact O-CE 3.36Å; Y181-M184 WeakPolarHBondContact O-CG 3.4Å; Y181-M184 PolarHBondContact O-N 3.45Å; M184-R186 PolarHBondContact O-N 3.22Å; M184-T437 HydrophobicContact CG-CG2 3.77Å; M184-T437 HydrophobicContact SD-CG2 3.94Å; M184-P458 HydrophobicContact CE-CG 4.38Å; M184-P458 HydrophobicContact SD-CG 3.97Å; M184-F466 HydrophobicContact CE-CD1 4.1Å; M184-F466 HydrophobicContact CE-CE1 4.02Å; M184-W468 HydrophobicContact CE-CZ2 4.38Å; M184-F486 HydrophobicContact CB-CE1 3.94Å; M184-F486 HydrophobicContact CB-CZ 4.02Å; M184-F486 HydrophobicContact CE-CD1 4.32Å; M184-F486 HydrophobicContact CE-CD2 4.18Å; M184-F486 HydrophobicContact CE-CE1 3.9Å; M184-F486 HydrophobicContact CE-CE2 3.76Å; M184-F486 HydrophobicContact CE-CG 4.43Å; M184-F486 HydrophobicContact CE-CZ 3.59Å; M184-F486 HydrophobicContact SD-CD1 4.26Å; M184-F486 HydrophobicContact SD-CE1 3.98Å; M184-F486 HydrophobicContact SD-CZ 4.27Å
185L95.9Very high97.2Very high3 Ų35.9 Ų5.92%0.0163%0.031CC..  trans-86.8101.7166.3-165.760.8000108F18 L51 K54 H55 T183 P212 H482F18-L185 HydrophobicContact CD1-CD1 4.45Å; F18-L185 HydrophobicContact CE1-CD1 4.34Å; L51-L185 HydrophobicContact CB-CD2 4.46Å; L51-L185 HydrophobicContact CD2-CD1 4Å; L51-L185 HydrophobicContact CD2-CD2 3.95Å; L51-L185 HydrophobicContact CD2-CG 4.16Å; K54-L185 HydrophobicContact CB-CD2 3.8Å; H55-L185 HydrophobicContact CB-CD2 4.24Å; T183-L185 PolarHBondContact O-N 2.94Å; L185-P212 HydrophobicContact CB-CG 4.44Å; L185-P212 HydrophobicContact CD2-CG 4.01Å; L185-P212 HydrophobicContact CG-CG 3.96Å; L185-P212 WeakPolarHBondContact O-CD 3.39Å; L185-H482 PolarHBondContact N-NE2 3.48Å
186R96.7Very high97Very high3 Ų38.6 Ų8.61%0.0115%0.048CC..  trans-110.7145.2-164.7-50-55.5-64.3-75.30.8114.4W20 A21 M184 Y211 D219 D438W20-R186 HydrophobicContact CD2-CB 3.93Å; W20-R186 HydrophobicContact CE3-CB 3.3Å; W20-R186 HydrophobicContact CE3-CG 4.29Å; W20-R186 HydrophobicContact CH2-CB 4.08Å; W20-R186 HydrophobicContact CH2-CG 4.28Å; W20-R186 HydrophobicContact CZ3-CB 3.41Å; W20-R186 VanDerWaalsContact CZ3-CB 3.41Å; W20-R186 HydrophobicContact CZ3-CG 4.08Å; A21-R186 PolarHBondContact N-O 2.83Å; M184-R186 PolarHBondContact O-N 3.22Å; R186-Y211 VanDerWaalsContact CD-CE1 3.41Å; R186-Y211 PolarHBondContact NH2-OH 3.35Å; R186-D219 IonicContact CZ-OD1 2.86Å; R186-D219 IonicContact NH2-OD1 3.2Å; R186-D219 PolarHBondContact NH2-OD1 2.93Å; R186-D219 IonicContact NH2-OD2 3.07Å; R186-D219 PolarHBondContact NH2-OD2 3.47Å; R186-D438 IonicContact CZ-OD2 3.85Å; R186-D438 IonicContact NH1-OD2 2.73Å; R186-D438 PolarHBondContact NH1-OD2 3.19Å; R186-D438 IonicContact NH2-OD2 3.95Å; R186-D438 PolarHBondContact NH2-OD2 2.94Å
187I96.6Very high96.5Very high1 Ų19.3 Ų9.31%0.0055%0.053CC..EExtended strand (participates in β ladder)trans-132.5124.2174.2-48.5-164.7000109.4A21 L23 T48 L51 K189 S210 P212A21-I187 HydrophobicContact CB-CB 4.46Å; A21-I187 HydrophobicContact CB-CG1 4.06Å; A21-I187 HydrophobicContact CB-CG2 4.31Å; A21-I187 CarbonylContact O-C 3.41Å; A21-I187 VanDerWaalsContact O-CA 3.31Å; A21-I187 WeakPolarHBondContact O-CA 3.27Å; L23-I187 HydrophobicContact CB-CG2 3.87Å; T48-I187 HydrophobicContact CG2-CD1 4.17Å; L51-I187 HydrophobicContact CD1-CD1 3.8Å; L51-I187 HydrophobicContact CD1-CG1 4.39Å; I187-K189 HydrophobicContact CB-CG 4.45Å; I187-K189 HydrophobicContact CG2-CG 3.86Å; I187-S210 PolarHBondContact N-O 2.96Å; I187-S210 CarbonylContact O-C 3.47Å; I187-S210 VanDerWaalsContact O-C 3.26Å; I187-S210 VanDerWaalsContact O-CA 3.3Å; I187-S210 WeakPolarHBondContact O-CA 3.42Å; I187-S210 WeakPolarHBondContact O-CB 3.27Å; I187-S210 PolarHBondContact O-N 3.16Å; I187-S210 VanDerWaalsContact O-O 3.07Å; I187-P212 HydrophobicContact CD1-CB 3.95Å; I187-P212 HydrophobicContact CD1-CG 3.8Å; I187-P212 HydrophobicContact CG1-CG 3.91Å
188E97Very high95.9Very high2 Ų215 Ų151%0.0099%0.09CC..EExtended strand (participates in β ladder)trans-81.7133.9162-63.6177.9-152.900109.1W20 A21 F22 L23 M208 F452 A454 N493 W495W20-E188 HydrophobicContact CB-CG 4.5Å; W20-E188 HydrophobicContact CD2-CG 4.03Å; W20-E188 HydrophobicContact CE3-CG 3.64Å; W20-E188 HydrophobicContact CG-CG 4.41Å; W20-E188 HydrophobicContact CZ3-CG 4.19Å; A21-E188 PolarHBondContact O-N 2.99Å; F22-E188 WeakPolarHBondContact CA-O 3.49Å; F22-E188 HydrophobicContact CD1-CB 3.92Å; F22-E188 HydrophobicContact CD1-CG 4.32Å; F22-E188 HydrophobicContact CE1-CB 4.35Å; F22-E188 HydrophobicContact CE1-CG 4.25Å; F22-E188 WeakPolarHBondContact CE1-OE2 3.47Å; L23-E188 PolarHBondContact N-O 3.01Å; E188-M208 WeakPolarHBondContact CA-O 3.2Å; E188-F452 HydrophobicContact CB-CZ 4.32Å; E188-F452 HydrophobicContact CG-CE2 4.07Å; E188-F452 HydrophobicContact CG-CZ 3.86Å; E188-A454 VanDerWaalsContact OE1-CB 3.32Å; E188-A454 WeakPolarHBondContact OE1-CB 3.3Å; E188-N493 VanDerWaalsContact OE2-CB 3.29Å; E188-N493 WeakPolarHBondContact OE2-CB 3.47Å; E188-W495 HydrophobicContact CB-CH2 3.84Å; E188-W495 HydrophobicContact CB-CZ2 4.4Å
189K97.8Very high95.7Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-123.8138.4-174.4-58.3-173.6-176.8178.30111.1L23 E44 I187 Y191 S207 M208 S210 Y211 V214L23-K189 HydrophobicContact CB-CG 4.29Å; L23-K189 HydrophobicContact CD2-CD 4.25Å; L23-K189 HydrophobicContact CD2-CG 4.35Å; L23-K189 CarbonylContact O-C 3.56Å; L23-K189 VanDerWaalsContact O-CA 3.32Å; L23-K189 WeakPolarHBondContact O-CA 3.5Å; E44-K189 IonicContact OE1-NZ 2.79Å; E44-K189 PolarHBondContact OE1-NZ 2.98Å; I187-K189 HydrophobicContact CB-CG 4.45Å; I187-K189 HydrophobicContact CG2-CG 3.86Å; K189-Y191 HydrophobicContact CB-CE1 4.4Å; K189-Y191 HydrophobicContact CD-CE1 4.32Å; K189-S207 CarbonylContact O-C 3.58Å; K189-S207 VanDerWaalsContact O-CA 3.27Å; K189-S207 WeakPolarHBondContact O-CA 3.25Å; K189-M208 HydrophobicContact CB-CE 4.01Å; K189-M208 HydrophobicContact CB-CG 4.06Å; K189-M208 HydrophobicContact CD-CE 4.26Å; K189-M208 PolarHBondContact N-O 2.77Å; K189-M208 PolarHBondContact O-N 3.27Å; K189-S210 VanDerWaalsContact CE-OG 3.22Å; K189-S210 WeakPolarHBondContact CE-OG 3.3Å; K189-S210 PolarHBondContact NZ-OG 2.73Å; K189-Y211 WeakPolarHBondContact CE-O 3.26Å; K189-Y211 PolarHBondContact NZ-O 3.11Å; K189-V214 PolarHBondContact NZ-O 3.21Å
190L97.8Very high95.7Very high0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-120.1119.2163.717568.3000108.5L23 E24 I25 K192 I206 L450 W495 F497 I498L23-L190 PolarHBondContact O-N 2.83Å; E24-L190 WeakPolarHBondContact CA-O 3.25Å; E24-L190 HydrophobicContact CG-CB 4.23Å; I25-L190 PolarHBondContact N-O 2.74Å; L190-K192 HydrophobicContact CD2-CD 4.49Å; L190-K192 HydrophobicContact CG-CG 4.43Å; L190-I206 WeakPolarHBondContact CA-O 3.41Å; L190-L450 HydrophobicContact CD1-CD1 4.09Å; L190-W495 HydrophobicContact CB-CD2 3.89Å; L190-W495 HydrophobicContact CB-CE3 3.72Å; L190-W495 HydrophobicContact CB-CH2 4.07Å; L190-W495 HydrophobicContact CB-CZ2 4.22Å; L190-W495 HydrophobicContact CB-CZ3 3.8Å; L190-W495 HydrophobicContact CD2-CB 3.9Å; L190-W495 HydrophobicContact CD2-CD2 4Å; L190-W495 HydrophobicContact CD2-CE3 4.23Å; L190-W495 HydrophobicContact CD2-CG 3.85Å; L190-W495 HydrophobicContact CG-CD2 4.49Å; L190-F497 HydrophobicContact CD2-CB 4.33Å; L190-I498 HydrophobicContact CD1-CD1 3.97Å; L190-I498 HydrophobicContact CD2-CD1 3.78Å; L190-I498 HydrophobicContact CD2-CG1 3.79Å
191Y98Very high95.7Very high2 Ų223.4 Ų23.41%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-107127.7170.9-67.8-19.5000109.6L23 I25 E44 K189 L193 A205 I206 M208L23-Y191 HydrophobicContact CD2-CE1 4.47Å; I25-Y191 HydrophobicContact CB-CD1 4.04Å; I25-Y191 HydrophobicContact CB-CE1 4.46Å; I25-Y191 HydrophobicContact CD1-CD1 4.42Å; I25-Y191 HydrophobicContact CD1-CE1 3.97Å; I25-Y191 HydrophobicContact CG1-CD1 4.36Å; I25-Y191 HydrophobicContact CG1-CE1 4.32Å; I25-Y191 CarbonylContact O-C 3.52Å; I25-Y191 WeakPolarHBondContact O-CA 3.25Å; E44-Y191 WeakPolarHBondContact OE2-CE1 3.49Å; E44-Y191 VanDerWaalsContact OE2-CZ 3.28Å; E44-Y191 PolarHBondContact OE2-OH 3.34Å; K189-Y191 HydrophobicContact CB-CE1 4.4Å; K189-Y191 HydrophobicContact CD-CE1 4.32Å; Y191-L193 HydrophobicContact CD2-CD1 4.39Å; Y191-L193 HydrophobicContact CG-CD1 4.37Å; Y191-A205 CarbonylContact O-C 3.58Å; Y191-A205 VanDerWaalsContact O-CA 3.24Å; Y191-A205 WeakPolarHBondContact O-CA 3.44Å; Y191-I206 PolarHBondContact N-O 3.11Å; Y191-I206 PolarHBondContact O-N 3.36Å; Y191-M208 HydrophobicContact CD2-CE 3.52Å; Y191-M208 HydrophobicContact CE2-CE 3.24Å; Y191-M208 HydrophobicContact CG-CE 4.3Å
192K97.3Very high95.7Very high37 Ų3725.2 Ų25.216%0.16114%0.143CC..EExtended strand (participates in β ladder)trans-116.887.9170.5-71.7176.766.5-1670108.5I25 E26 T27 L190 P194 F204 A205 F497I25-K192 PolarHBondContact O-N 2.73Å; E26-K192 VanDerWaalsContact CA-O 3.31Å; E26-K192 WeakPolarHBondContact CA-O 3.03Å; E26-K192 HydrophobicContact CB-CB 4.02Å; E26-K192 HydrophobicContact CG-CB 3.95Å; E26-K192 WeakPolarHBondContact OE1-CE 3.19Å; E26-K192 IonicContact OE1-NZ 2.84Å; E26-K192 PolarHBondContact OE1-NZ 3.03Å; E26-K192 IonicContact OE2-NZ 3.73Å; E26-K192 PolarHBondContact OE2-NZ 2.87Å; T27-K192 PolarHBondContact N-O 3.12Å; L190-K192 HydrophobicContact CD2-CD 4.49Å; L190-K192 HydrophobicContact CG-CG 4.43Å; K192-P194 WeakPolarHBondContact O-CD 3.34Å; K192-F204 CarbonylContact C-O 3.49Å; K192-F204 VanDerWaalsContact CA-O 3.25Å; K192-F204 WeakPolarHBondContact CA-O 3.2Å; K192-A205 HydrophobicContact CG-CB 4.18Å; K192-F497 HydrophobicContact CD-CB 3.65Å; K192-F497 WeakPolarHBondContact CD-O 3.36Å; K192-F497 PolarHBondContact NZ-O 3Å
193L97Very high95.8Very high6 Ų624.5 Ų24.53%0.03114%0.14CC..  trans-118.390.1-173.9-51.4177.3000108.6I25 T27 A40 Y191 F195 F204I25-L193 HydrophobicContact CG2-CD2 4.43Å; T27-L193 HydrophobicContact CG2-CD2 3.52Å; T27-L193 WeakPolarHBondContact OG1-CD2 3.44Å; A40-L193 HydrophobicContact CB-CD1 4.44Å; A40-L193 HydrophobicContact CB-CD2 3.74Å; Y191-L193 HydrophobicContact CD2-CD1 4.39Å; Y191-L193 HydrophobicContact CG-CD1 4.37Å; L193-F195 HydrophobicContact CB-CD1 4.49Å; L193-F195 HydrophobicContact CB-CD2 4.15Å; L193-F195 HydrophobicContact CB-CE1 4.13Å; L193-F195 HydrophobicContact CB-CE2 3.74Å; L193-F195 HydrophobicContact CB-CZ 3.75Å; L193-F195 HydrophobicContact CD1-CE2 3.92Å; L193-F195 HydrophobicContact CD1-CZ 3.78Å; L193-F195 HydrophobicContact CG-CE2 4.48Å; L193-F195 HydrophobicContact CG-CZ 4.29Å; L193-F195 PolarHBondContact O-N 2.9Å; L193-F204 PolarHBondContact N-O 2.97Å
194P96.6Very high95.8Very high16 Ų1628.4 Ų28.410%0.10416%0.156CC..  trans-74.564.3179.233.3-37.1000111.2E29 Q36 K192 V200E29-P194 HydrophobicContact CB-CB 4.13Å; E29-P194 HydrophobicContact CB-CG 3.76Å; E29-P194 HydrophobicContact CG-CB 4.14Å; E29-P194 HydrophobicContact CG-CG 4.29Å; Q36-P194 PolarHBondContact NE2-O 2.6Å; K192-P194 WeakPolarHBondContact O-CD 3.34Å; P194-V200 HydrophobicContact CB-CG1 4.07Å
195F97Very high95.9Very high1 Ų128.8 Ų28.80%0.00416%0.16CC..  trans-65.1138.6171.5-59.4-44.2000109.9N33 Q36 A37 Q100 T103 L193 V200 V201N33-F195 HydrophobicContact CB-CB 4.49Å; N33-F195 HydrophobicContact CB-CD1 3.96Å; N33-F195 HydrophobicContact CB-CG 4.49Å; N33-F195 WeakPolarHBondContact O-CE1 3.39Å; N33-F195 VanDerWaalsContact OD1-CA 3.32Å; N33-F195 WeakPolarHBondContact OD1-CA 3.34Å; Q36-F195 HydrophobicContact CB-CD1 3.98Å; Q36-F195 HydrophobicContact CB-CE1 3.56Å; A37-F195 HydrophobicContact CB-CE1 4.04Å; A37-F195 HydrophobicContact CB-CZ 3.94Å; Q100-F195 VanDerWaalsContact OE1-CD2 3.31Å; T103-F195 HydrophobicContact CG2-CD1 4.37Å; T103-F195 HydrophobicContact CG2-CD2 4.5Å; T103-F195 HydrophobicContact CG2-CE1 4.29Å; T103-F195 HydrophobicContact CG2-CE2 4.44Å; T103-F195 HydrophobicContact CG2-CG 4.46Å; T103-F195 HydrophobicContact CG2-CZ 4.33Å; L193-F195 HydrophobicContact CB-CD1 4.49Å; L193-F195 HydrophobicContact CB-CD2 4.15Å; L193-F195 HydrophobicContact CB-CE1 4.13Å; L193-F195 HydrophobicContact CB-CE2 3.74Å; L193-F195 HydrophobicContact CB-CZ 3.75Å; L193-F195 HydrophobicContact CD1-CE2 3.92Å; L193-F195 HydrophobicContact CD1-CZ 3.78Å; L193-F195 HydrophobicContact CG-CE2 4.48Å; L193-F195 HydrophobicContact CG-CZ 4.29Å; L193-F195 PolarHBondContact O-N 2.9Å; F195-V200 CarbonylContact O-C 3.48Å; F195-V200 VanDerWaalsContact O-CA 3.3Å; F195-V200 WeakPolarHBondContact O-CA 3.38Å; F195-V201 HydrophobicContact CB-CG1 4.25Å; F195-V201 HydrophobicContact CB-CG2 4.11Å; F195-V201 WeakPolarHBondContact O-CG1 3.41Å; F195-V201 PolarHBondContact O-N 2.9Å
196V95.7Very high96Very high57 Ų5728.9 Ų28.935%0.34516%0.16SC..BIsolated β-bridgetrans-108.5119.4-177.4178.90000110E29 N33 P198 E199 V200E29-V196 HydrophobicContact CG-CG2 4.36Å; N33-V196 PolarHBondContact ND2-N 3.5Å; N33-V196 PolarHBondContact ND2-O 3.3Å; N33-V196 PolarHBondContact OD1-N 2.58Å; V196-P198 WeakPolarHBondContact CG1-O 3.41Å; V196-E199 CarbonylContact C-O 3.58Å; V196-E199 WeakPolarHBondContact CA-O 3.5Å; V196-V200 HydrophobicContact CG2-CG2 4Å
197S88.2Confident96.1Very high15 Ų1528.7 Ų28.711%0.10516%0.159CC..SBendtrans-165.581.5-177-176.30000114.7P96 E199P96-S197 VanDerWaalsContact CA-OG 3.25Å; P96-S197 WeakPolarHBondContact CA-OG 3.46Å; S197-E199 PolarHBondContact N-O 3.45Å
198P86.8Confident96.2Very high120 Ų12028.7 Ų28.778%0.77916%0.159SC*.SBendcis-81.8-15.3-11.833.6-35.7000113.5V196V196-P198 WeakPolarHBondContact CG1-O 3.41Å
199E93.8Very high96.2Very high137 Ų13728.6 Ų28.664%0.6416%0.159SC*.SBendtrans-104.9171.4168.6-63177168.400109V196 S197 V201V196-E199 CarbonylContact C-O 3.58Å; V196-E199 WeakPolarHBondContact CA-O 3.5Å; S197-E199 PolarHBondContact N-O 3.45Å; E199-V201 PolarHBondContact O-N 3.47Å
200V96.1Very high96.3Very high52 Ų5228.6 Ų28.632%0.31516%0.159SC..BIsolated β-bridgetrans-53.4128.9172.1176.50000109.9E29 P194 F195 V196 F204E29-V200 VanDerWaalsContact OE1-CG2 3.25Å; E29-V200 WeakPolarHBondContact OE1-CG2 3.4Å; P194-V200 HydrophobicContact CB-CG1 4.07Å; F195-V200 CarbonylContact O-C 3.48Å; F195-V200 VanDerWaalsContact O-CA 3.3Å; F195-V200 WeakPolarHBondContact O-CA 3.38Å; V196-V200 HydrophobicContact CG2-CG2 4Å; V200-F204 HydrophobicContact CG1-CB 3.81Å; V200-F204 HydrophobicContact CG1-CD1 4.37Å; V200-F204 HydrophobicContact CG1-CG 4.22Å
201V97Very high96.3Very high3 Ų328.8 Ų28.82%0.01816%0.16CC..  trans-59.1137.1-178.9-64.50000110.5F195 E199 G203 F204 R260 L261F195-V201 HydrophobicContact CB-CG1 4.25Å; F195-V201 HydrophobicContact CB-CG2 4.11Å; F195-V201 WeakPolarHBondContact O-CG1 3.41Å; F195-V201 PolarHBondContact O-N 2.9Å; E199-V201 PolarHBondContact O-N 3.47Å; V201-G203 VanDerWaalsContact C-N 3.25Å; V201-G203 PolarHBondContact O-N 2.88Å; V201-F204 HydrophobicContact CG2-CB 4.36Å; V201-F204 WeakPolarHBondContact O-CB 3.41Å; V201-F204 PolarHBondContact O-N 3.36Å; V201-R260 HydrophobicContact CB-CB 4.41Å; V201-R260 WeakPolarHBondContact CB-O 3.4Å; V201-R260 HydrophobicContact CG2-CB 4.24Å; V201-L261 HydrophobicContact CG1-CD2 3.86Å
202P96.6Very high96.2Very high38 Ų3828.7 Ų28.725%0.24716%0.159CC..THydrogen-bonded Turntrans-55.6-38.4-177.1-28.735.2000114.3F204 R260 K263P202-F204 VanDerWaalsContact C-N 3.25Å; P202-F204 PolarHBondContact O-N 2.84Å; P202-R260 VanDerWaalsContact CD-O 3.29Å; P202-R260 WeakPolarHBondContact CD-O 3.15Å; P202-K263 HydrophobicContact CB-CG 3.73Å; P202-K263 HydrophobicContact CG-CD 4.12Å; P202-K263 HydrophobicContact CG-CG 3.32Å
203G97Very high96.3Very high2 Ų227 Ų272%0.02115%0.152CC..THydrogen-bonded Turntrans-88.741.417500000113.1V201 A205 I206 N259 R260V201-G203 VanDerWaalsContact C-N 3.25Å; V201-G203 PolarHBondContact O-N 2.88Å; G203-A205 PolarHBondContact O-N 2.62Å; G203-I206 VanDerWaalsContact O-CG1 3.3Å; G203-I206 WeakPolarHBondContact O-CG1 3.13Å; G203-N259 WeakPolarHBondContact CA-O 3.22Å; G203-R260 PolarHBondContact N-O 3.2Å
204F96.8Very high96.3Very high97 Ų9726.7 Ų26.743%0.42515%0.15SC..SBendtrans-60.7-26.717572.3-85.4000112.1K192 L193 V200 V201 P202K192-F204 CarbonylContact C-O 3.49Å; K192-F204 VanDerWaalsContact CA-O 3.25Å; K192-F204 WeakPolarHBondContact CA-O 3.2Å; L193-F204 PolarHBondContact N-O 2.97Å; V200-F204 HydrophobicContact CG1-CB 3.81Å; V200-F204 HydrophobicContact CG1-CD1 4.37Å; V200-F204 HydrophobicContact CG1-CG 4.22Å; V201-F204 HydrophobicContact CG2-CB 4.36Å; V201-F204 WeakPolarHBondContact O-CB 3.41Å; V201-F204 PolarHBondContact O-N 3.36Å; P202-F204 VanDerWaalsContact C-N 3.25Å; P202-F204 PolarHBondContact O-N 2.84Å
205A97.4Very high96.4Very high13 Ų1326 Ų2611%0.10715%0.145CC..EExtended strand (participates in β ladder)trans-113.7122.8173.600000110.7Y191 K192 G203 L450Y191-A205 CarbonylContact O-C 3.58Å; Y191-A205 VanDerWaalsContact O-CA 3.24Å; Y191-A205 WeakPolarHBondContact O-CA 3.44Å; K192-A205 HydrophobicContact CG-CB 4.18Å; G203-A205 PolarHBondContact O-N 2.62Å; A205-L450 HydrophobicContact CB-CD1 3.65Å
206I98.4Very high96.5Very high4 Ų426 Ų262%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-133.1122.3-179.1-51.6178.9000109L190 Y191 G203 Y222 L223 T224 M256 N259 R260L190-I206 WeakPolarHBondContact CA-O 3.41Å; Y191-I206 PolarHBondContact N-O 3.11Å; Y191-I206 PolarHBondContact O-N 3.36Å; G203-I206 VanDerWaalsContact O-CG1 3.3Å; G203-I206 WeakPolarHBondContact O-CG1 3.13Å; I206-Y222 HydrophobicContact CG2-CD1 4.07Å; I206-L223 WeakPolarHBondContact CA-O 3.22Å; I206-T224 HydrophobicContact CB-CG2 4.33Å; I206-T224 HydrophobicContact CG1-CG2 3.88Å; I206-T224 HydrophobicContact CG2-CG2 4.07Å; I206-M256 HydrophobicContact CD1-CE 3.91Å; I206-N259 HydrophobicContact CD1-CB 3.94Å; I206-R260 HydrophobicContact CD1-CG 3.92Å
207S98.5Very high96.6Very high0 Ų023.2 Ų23.20%013%0.129CC..EExtended strand (participates in β ladder)trans-107.1137.6171.2177.50000110.1K189 Y222 L223 L450 F452 W495K189-S207 CarbonylContact O-C 3.58Å; K189-S207 VanDerWaalsContact O-CA 3.27Å; K189-S207 WeakPolarHBondContact O-CA 3.25Å; S207-Y222 CarbonylContact O-C 3.55Å; S207-Y222 WeakPolarHBondContact O-CA 3.46Å; S207-L223 PolarHBondContact N-O 2.87Å; S207-L223 PolarHBondContact O-N 2.8Å; S207-L450 WeakPolarHBondContact CB-O 3.27Å; S207-L450 PolarHBondContact OG-O 3.48Å; S207-F452 WeakPolarHBondContact OG-CE1 3.3Å; S207-W495 WeakPolarHBondContact OG-CZ2 3.48Å; S207-W495 PolarHBondContact OG-NE1 3.1Å
208M98.6Very high97Very high0 Ų022.6 Ų22.60%013%0.125CC..EExtended strand (participates in β ladder)trans-155.8154.6-174.857.3-171.5162.200113E188 K189 Y191 Y221 Y222 M256E188-M208 WeakPolarHBondContact CA-O 3.2Å; K189-M208 HydrophobicContact CB-CE 4.01Å; K189-M208 HydrophobicContact CB-CG 4.06Å; K189-M208 HydrophobicContact CD-CE 4.26Å; K189-M208 PolarHBondContact N-O 2.77Å; K189-M208 PolarHBondContact O-N 3.27Å; Y191-M208 HydrophobicContact CD2-CE 3.52Å; Y191-M208 HydrophobicContact CE2-CE 3.24Å; Y191-M208 HydrophobicContact CG-CE 4.3Å; M208-Y221 VanDerWaalsContact CA-O 3.29Å; M208-Y221 WeakPolarHBondContact CA-O 3.38Å; M208-Y221 VanDerWaalsContact CB-O 3.25Å; M208-Y221 WeakPolarHBondContact CB-O 3.04Å; M208-Y222 HydrophobicContact CB-CD1 3.76Å; M208-Y222 HydrophobicContact CB-CE1 4.24Å; M208-Y222 HydrophobicContact CB-CG 4.5Å; M208-Y222 HydrophobicContact CG-CD1 4.39Å; M208-Y222 HydrophobicContact SD-CD1 3.77Å; M208-Y222 HydrophobicContact SD-CE1 3.55Å; M208-Y222 VanDerWaalsContact SD-CE1 3.55Å; M208-M256 HydrophobicContact CE-CE 4.48Å
209S98.5Very high97.5Very high0 Ų016.9 Ų16.90%09%0.087CC..EExtended strand (participates in β ladder)trans-77.3145.5158.750.90000109.3S217 D219 K440S209-S217 WeakPolarHBondContact O-CA 3.2Å; S209-S217 WeakPolarHBondContact O-CB 3.44Å; S209-S217 PolarHBondContact O-OG 3.09Å; S209-D219 WeakPolarHBondContact CB-OD2 3.24Å; S209-D219 PolarHBondContact OG-OD2 2.82Å; S209-K440 WeakPolarHBondContact OG-CD 3.5Å; S209-K440 WeakPolarHBondContact OG-CE 3.42Å
210S98.3Very high97.8Very high0 Ų010.4 Ų10.40%06%0.057CC..EExtended strand (participates in β ladder)trans-163.6-169.8-173.6-175.10000111.4I187 K189 V214 L216I187-S210 PolarHBondContact N-O 2.96Å; I187-S210 CarbonylContact O-C 3.47Å; I187-S210 VanDerWaalsContact O-C 3.26Å; I187-S210 VanDerWaalsContact O-CA 3.3Å; I187-S210 WeakPolarHBondContact O-CA 3.42Å; I187-S210 WeakPolarHBondContact O-CB 3.27Å; I187-S210 PolarHBondContact O-N 3.16Å; I187-S210 VanDerWaalsContact O-O 3.07Å; K189-S210 VanDerWaalsContact CE-OG 3.22Å; K189-S210 WeakPolarHBondContact CE-OG 3.3Å; K189-S210 PolarHBondContact NZ-OG 2.73Å; S210-V214 PolarHBondContact OG-O 3.23Å; S210-L216 WeakPolarHBondContact CB-O 3.5Å; S210-L216 PolarHBondContact OG-O 3.14Å
211Y97.8Very high97.9Very high5 Ų57.9 Ų7.92%0.024%0.042CC..  trans-132.4159.3-176.4-55.7-93.5000110.9H55 T183 R186 K189 G213 V214 S217 I218 D219H55-Y211 AromaticContact CE1-CD1 3.73Å; T183-Y211 VanDerWaalsContact O-CD1 3.24Å; T183-Y211 WeakPolarHBondContact O-CD1 3.15Å; T183-Y211 WeakPolarHBondContact O-CE1 3.42Å; R186-Y211 VanDerWaalsContact CD-CE1 3.41Å; R186-Y211 PolarHBondContact NH2-OH 3.35Å; K189-Y211 WeakPolarHBondContact CE-O 3.26Å; K189-Y211 PolarHBondContact NZ-O 3.11Å; Y211-G213 PolarHBondContact O-N 3.45Å; Y211-V214 PolarHBondContact O-N 2.86Å; Y211-S217 WeakPolarHBondContact CD2-O 3.36Å; Y211-S217 WeakPolarHBondContact CE2-O 3.46Å; Y211-I218 HydrophobicContact CD2-CB 4.42Å; Y211-I218 HydrophobicContact CE2-CB 4.25Å; Y211-D219 WeakPolarHBondContact CE2-OD1 3.41Å; Y211-D219 VanDerWaalsContact CZ-OD1 3.26Å; Y211-D219 PolarHBondContact OH-OD1 3.49Å
212P97.5Very high98Very high0 Ų07.8 Ų7.80%04%0.041CC..THydrogen-bonded Turntrans-60126.1175.5-2130.7000111.8L51 I52 H55 L185 I187 V214L51-P212 VanDerWaalsContact C-CB 3.46Å; L51-P212 HydrophobicContact CB-CB 3.67Å; L51-P212 HydrophobicContact CB-CG 3.72Å; L51-P212 WeakPolarHBondContact O-CB 3.42Å; I52-P212 HydrophobicContact CG1-CB 4.25Å; H55-P212 HydrophobicContact CB-CB 3.91Å; H55-P212 HydrophobicContact CB-CG 3.91Å; H55-P212 PolarHBondContact CD2-O 2.72Å; L185-P212 HydrophobicContact CB-CG 4.44Å; L185-P212 HydrophobicContact CD2-CG 4.01Å; L185-P212 HydrophobicContact CG-CG 3.96Å; L185-P212 WeakPolarHBondContact O-CD 3.39Å; I187-P212 HydrophobicContact CD1-CB 3.95Å; I187-P212 HydrophobicContact CD1-CG 3.8Å; I187-P212 HydrophobicContact CG1-CG 3.91Å; P212-V214 VanDerWaalsContact C-N 3.27Å; P212-V214 PolarHBondContact O-N 2.91Å
213G97.8Very high98.1Very high0 Ų06 Ų60%03%0.029CC..THydrogen-bonded Turntrans83.3-0.817700000114.6Q133 Y211Q133-G213 PolarHBondContact NE2-O 2.98Å; Y211-G213 PolarHBondContact O-N 3.45Å
214V98.5Very high98Very high1 Ų16.3 Ų6.31%0.0063%0.031CC..  trans-102.6112.1-177.61760000110.3L132 K189 S210 Y211 P212 L216 I218L132-V214 HydrophobicContact CB-CG2 4.05Å; K189-V214 PolarHBondContact NZ-O 3.21Å; S210-V214 PolarHBondContact OG-O 3.23Å; Y211-V214 PolarHBondContact O-N 2.86Å; P212-V214 VanDerWaalsContact C-N 3.27Å; P212-V214 PolarHBondContact O-N 2.91Å; V214-L216 HydrophobicContact CG1-CD2 3.55Å; V214-L216 HydrophobicContact CG1-CG 4.14Å; V214-L216 WeakPolarHBondContact CG1-O 3.47Å; V214-L216 PolarHBondContact O-N 3.34Å; V214-L216 VanDerWaalsContact O-N 3.16Å; V214-I218 HydrophobicContact CB-CD1 4.4Å; V214-I218 HydrophobicContact CG1-CB 4.49Å; V214-I218 HydrophobicContact CG1-CD1 3.3Å; V214-I218 HydrophobicContact CG1-CG1 3.58Å; V214-I218 HydrophobicContact CG2-CD1 4.15Å
215L98.7Very high97.5Very high0 Ų03.6 Ų3.60%02%0.024CC..SBendtrans-74.5-2.3-173.6-65-178.5000115.4M104 Q107 L108 L111M104-L215 HydrophobicContact CE-CB 4.32Å; Q107-L215 HydrophobicContact CB-CD1 3.95Å; Q107-L215 HydrophobicContact CG-CD1 3.75Å; Q107-L215 HydrophobicContact CG-CD2 3.96Å; Q107-L215 HydrophobicContact CG-CG 4.48Å; L108-L215 HydrophobicContact CB-CD1 3.83Å; L108-L215 HydrophobicContact CD1-CD1 4.29Å; L111-L215 HydrophobicContact CB-CD2 4.48Å; L111-L215 HydrophobicContact CD1-CD2 3.44Å; L111-L215 VanDerWaalsContact CD1-CD2 3.44Å; L111-L215 HydrophobicContact CD1-CG 4.08Å
216L98.3Very high97.5Very high1 Ų13.3 Ų3.31%0.0052%0.022CC..SBendtrans-127.9-168.917974.2160.5000109.9Q133 S210 V214 I218 Y222 W252 V255 M256Q133-L216 HydrophobicContact CB-CD2 4.23Å; S210-L216 WeakPolarHBondContact CB-O 3.5Å; S210-L216 PolarHBondContact OG-O 3.14Å; V214-L216 HydrophobicContact CG1-CD2 3.55Å; V214-L216 HydrophobicContact CG1-CG 4.14Å; V214-L216 WeakPolarHBondContact CG1-O 3.47Å; V214-L216 PolarHBondContact O-N 3.34Å; V214-L216 VanDerWaalsContact O-N 3.16Å; L216-I218 HydrophobicContact CD1-CG1 3.99Å; L216-I218 HydrophobicContact CD2-CD1 4.03Å; L216-I218 HydrophobicContact CD2-CG1 3.8Å; L216-I218 HydrophobicContact CG-CD1 4.46Å; L216-I218 HydrophobicContact CG-CG1 3.69Å; L216-Y222 WeakPolarHBondContact CB-OH 3.49Å; L216-W252 HydrophobicContact CD1-CB 3.55Å; L216-W252 HydrophobicContact CD2-CB 4.05Å; L216-W252 HydrophobicContact CD2-CE3 4.42Å; L216-W252 HydrophobicContact CG-CB 4.46Å; L216-V255 HydrophobicContact CD1-CG1 3.83Å; L216-M256 HydrophobicContact CB-CG 3.88Å; L216-M256 HydrophobicContact CB-SD 4.05Å
217S98.5Very high97.5Very high0 Ų03.1 Ų3.10%02%0.021CC..  trans-82-54.9178.4179.60000112.9S209 Y211 D219 D220 Y221 Y222S209-S217 WeakPolarHBondContact O-CA 3.2Å; S209-S217 WeakPolarHBondContact O-CB 3.44Å; S209-S217 PolarHBondContact O-OG 3.09Å; Y211-S217 WeakPolarHBondContact CD2-O 3.36Å; Y211-S217 WeakPolarHBondContact CE2-O 3.46Å; S217-D219 PolarHBondContact O-N 2.87Å; S217-D219 WeakPolarHBondContact OG-CB 3.5Å; S217-D219 PolarHBondContact OG-N 2.98Å; S217-D220 VanDerWaalsContact CB-OD1 3.31Å; S217-D220 WeakPolarHBondContact CB-OD1 3.31Å; S217-D220 WeakPolarHBondContact OG-CA 3.27Å; S217-Y221 PolarHBondContact OG-N 3.01Å; S217-Y222 VanDerWaalsContact CB-OH 3.31Å; S217-Y222 WeakPolarHBondContact CB-OH 3.37Å; S217-Y222 PolarHBondContact N-OH 3.36Å
218I96.2Very high97.5Very high2 Ų23.1 Ų3.11%0.012%0.021CC..SBendtrans65.3-15-168.7-56.6-172.1000113.5L132 F156 Y211 V214 L216 D220 Y280L132-I218 WeakPolarHBondContact O-CD1 3.4Å; F156-I218 HydrophobicContact CE1-CG2 4.16Å; F156-I218 HydrophobicContact CE2-CG2 4.16Å; F156-I218 HydrophobicContact CZ-CG2 3.74Å; Y211-I218 HydrophobicContact CD2-CB 4.42Å; Y211-I218 HydrophobicContact CE2-CB 4.25Å; V214-I218 HydrophobicContact CB-CD1 4.4Å; V214-I218 HydrophobicContact CG1-CB 4.49Å; V214-I218 HydrophobicContact CG1-CD1 3.3Å; V214-I218 HydrophobicContact CG1-CG1 3.58Å; V214-I218 HydrophobicContact CG2-CD1 4.15Å; L216-I218 HydrophobicContact CD1-CG1 3.99Å; L216-I218 HydrophobicContact CD2-CD1 4.03Å; L216-I218 HydrophobicContact CD2-CG1 3.8Å; L216-I218 HydrophobicContact CG-CD1 4.46Å; L216-I218 HydrophobicContact CG-CG1 3.69Å; I218-D220 WeakPolarHBondContact CA-OD1 3.31Å; I218-D220 PolarHBondContact N-OD1 3.34Å; I218-Y280 PolarHBondContact O-OH 2.95Å
219D98Very high97.5Very high0 Ų03.1 Ų3.10%02%0.021CC..SBendtrans-58.3-59.4171.9-76.94.9000113.8C158 H175 T177 R186 S209 Y211 S217 K440C158-D219 PolarHBondContact SG-O 2.97Å; H175-D219 VanDerWaalsContact CE1-C 3.48Å; H175-D219 PolarHBondContact CE1-O 2.89Å; H175-D219 VanDerWaalsContact CE1-O 3.22Å; T177-D219 WeakPolarHBondContact OG1-CA 3.23Å; T177-D219 WeakPolarHBondContact OG1-CB 3.24Å; T177-D219 PolarHBondContact OG1-O 2.79Å; T177-D219 PolarHBondContact OG1-OD1 2.92Å; R186-D219 IonicContact CZ-OD1 2.86Å; R186-D219 IonicContact NH2-OD1 3.2Å; R186-D219 PolarHBondContact NH2-OD1 2.93Å; R186-D219 IonicContact NH2-OD2 3.07Å; R186-D219 PolarHBondContact NH2-OD2 3.47Å; S209-D219 WeakPolarHBondContact CB-OD2 3.24Å; S209-D219 PolarHBondContact OG-OD2 2.82Å; Y211-D219 WeakPolarHBondContact CE2-OD1 3.41Å; Y211-D219 VanDerWaalsContact CZ-OD1 3.26Å; Y211-D219 PolarHBondContact OH-OD1 3.49Å; S217-D219 PolarHBondContact O-N 2.87Å; S217-D219 WeakPolarHBondContact OG-CB 3.5Å; S217-D219 PolarHBondContact OG-N 2.98Å; D219-K440 VanDerWaalsContact OD2-CE 3.27Å; D219-K440 WeakPolarHBondContact OD2-CE 3.17Å; D219-K440 IonicContact OD2-NZ 3.02Å; D219-K440 PolarHBondContact OD2-NZ 3.42Å
220D98.4Very high97.5Very high0 Ų03.1 Ų3.10%02%0.021CC..  cis-102.8143.1-1.7-80.7-69.2000114H175 S217 I218 Y222 T229 E230 W284H175-D220 PolarHBondContact ND1-O 3.29Å; S217-D220 VanDerWaalsContact CB-OD1 3.31Å; S217-D220 WeakPolarHBondContact CB-OD1 3.31Å; S217-D220 WeakPolarHBondContact OG-CA 3.27Å; I218-D220 WeakPolarHBondContact CA-OD1 3.31Å; I218-D220 PolarHBondContact N-OD1 3.34Å; D220-Y222 HydrophobicContact CB-CD2 4.39Å; D220-Y222 HydrophobicContact CB-CE2 3.64Å; D220-Y222 WeakPolarHBondContact OD1-CE2 3.48Å; D220-Y222 VanDerWaalsContact OD1-CZ 3.28Å; D220-Y222 PolarHBondContact OD1-OH 3.15Å; D220-T229 VanDerWaalsContact O-CA 3.31Å; D220-T229 WeakPolarHBondContact O-CA 3.49Å; D220-T229 WeakPolarHBondContact O-CB 3.36Å; D220-T229 PolarHBondContact O-OG1 3.2Å; D220-E230 HydrophobicContact CB-CG 3.91Å; D220-E230 PolarHBondContact N-OE1 3Å; D220-W284 HydrophobicContact CB-CH2 3.89Å; D220-W284 HydrophobicContact CB-CZ3 3.97Å; D220-W284 WeakPolarHBondContact OD2-CH2 3.35Å
221Y98.8Very high97.6Very high0 Ų03.1 Ų3.10%02%0.021CC..EExtended strand (participates in β ladder)trans-152.4115174.8-169.9-90.6000111.8F173 H175 M208 S217 L223 V228 K440 A441 T442 F452F173-Y221 HydrophobicContact CD1-CD2 4.29Å; F173-Y221 AromaticContact CD1-CE2 3.48Å; F173-Y221 HydrophobicContact CD1-CE2 3.48Å; F173-Y221 VanDerWaalsContact CD1-CE2 3.48Å; F173-Y221 AromaticContact CD1-CZ 3.96Å; F173-Y221 AromaticContact CE1-CD2 3.96Å; F173-Y221 HydrophobicContact CE1-CD2 3.96Å; F173-Y221 AromaticContact CE1-CE2 3.61Å; F173-Y221 HydrophobicContact CE1-CE2 3.61Å; F173-Y221 PolarHBondContact O-OH 3.26Å; F173-Y221 VanDerWaalsContact O-OH 3.08Å; H175-Y221 HydrophobicContact CB-CD2 3.56Å; H175-Y221 HydrophobicContact CB-CE2 4.11Å; M208-Y221 VanDerWaalsContact CA-O 3.29Å; M208-Y221 WeakPolarHBondContact CA-O 3.38Å; M208-Y221 VanDerWaalsContact CB-O 3.25Å; M208-Y221 WeakPolarHBondContact CB-O 3.04Å; S217-Y221 PolarHBondContact OG-N 3.01Å; Y221-L223 HydrophobicContact CD1-CD2 4.24Å; Y221-L223 HydrophobicContact CE1-CD1 4.48Å; Y221-L223 HydrophobicContact CE1-CD2 3.52Å; Y221-L223 HydrophobicContact CE1-CG 4.07Å; Y221-V228 WeakPolarHBondContact CA-O 3.39Å; Y221-K440 HydrophobicContact CD1-CB 3.81Å; Y221-K440 HydrophobicContact CD1-CG 4.2Å; Y221-K440 HydrophobicContact CD2-CB 3.99Å; Y221-K440 HydrophobicContact CE1-CB 3.85Å; Y221-K440 HydrophobicContact CE2-CB 4Å; Y221-K440 HydrophobicContact CG-CB 3.87Å; Y221-K440 HydrophobicContact CG-CG 4.32Å; Y221-A441 VanDerWaalsContact OH-C 3.24Å; Y221-T442 VanDerWaalsContact OH-CB 3.25Å; Y221-T442 WeakPolarHBondContact OH-CB 3.35Å; Y221-T442 VanDerWaalsContact OH-CG2 3.23Å; Y221-T442 WeakPolarHBondContact OH-CG2 3.31Å; Y221-T442 PolarHBondContact OH-N 3.18Å; Y221-F452 HydrophobicContact CD1-CD1 4.48Å; Y221-F452 HydrophobicContact CD1-CG 4.48Å; Y221-F452 HydrophobicContact CE1-CB 3.86Å; Y221-F452 HydrophobicContact CE1-CD1 4.04Å; Y221-F452 HydrophobicContact CE1-CD2 4.34Å; Y221-F452 AromaticContact CE1-CG 3.84Å; Y221-F452 HydrophobicContact CE1-CG 3.84Å
222Y98.9Very high97.6Very high0 Ų03.1 Ų3.10%02%0.021CC..EExtended strand (participates in β ladder)trans-129.5140.1-176.5-51.5-92.3000111.7I206 S207 M208 L216 S217 D220 A227 V228 V255 M256 N259 W284I206-Y222 HydrophobicContact CG2-CD1 4.07Å; S207-Y222 CarbonylContact O-C 3.55Å; S207-Y222 WeakPolarHBondContact O-CA 3.46Å; M208-Y222 HydrophobicContact CB-CD1 3.76Å; M208-Y222 HydrophobicContact CB-CE1 4.24Å; M208-Y222 HydrophobicContact CB-CG 4.5Å; M208-Y222 HydrophobicContact CG-CD1 4.39Å; M208-Y222 HydrophobicContact SD-CD1 3.77Å; M208-Y222 HydrophobicContact SD-CE1 3.55Å; M208-Y222 VanDerWaalsContact SD-CE1 3.55Å; L216-Y222 WeakPolarHBondContact CB-OH 3.49Å; S217-Y222 VanDerWaalsContact CB-OH 3.31Å; S217-Y222 WeakPolarHBondContact CB-OH 3.37Å; S217-Y222 PolarHBondContact N-OH 3.36Å; D220-Y222 HydrophobicContact CB-CD2 4.39Å; D220-Y222 HydrophobicContact CB-CE2 3.64Å; D220-Y222 WeakPolarHBondContact OD1-CE2 3.48Å; D220-Y222 VanDerWaalsContact OD1-CZ 3.28Å; D220-Y222 PolarHBondContact OD1-OH 3.15Å; Y222-A227 WeakPolarHBondContact O-CA 3.35Å; Y222-V228 HydrophobicContact CD2-CB 4.37Å; Y222-V228 HydrophobicContact CD2-CG1 4.37Å; Y222-V228 PolarHBondContact N-O 3.09Å; Y222-V228 PolarHBondContact O-N 2.82Å; Y222-V255 HydrophobicContact CD2-CG2 4.33Å; Y222-V255 HydrophobicContact CE2-CG2 3.54Å; Y222-M256 HydrophobicContact CD1-SD 4.39Å; Y222-M256 HydrophobicContact CE1-SD 3.71Å; Y222-N259 VanDerWaalsContact CD1-ND2 3.3Å; Y222-N259 WeakPolarHBondContact CD1-ND2 3.31Å; Y222-W284 HydrophobicContact CE2-CH2 4.36Å; Y222-W284 HydrophobicContact CE2-CZ3 4.19Å
223L98.6Very high97.5Very high0 Ų03.4 Ų3.40%02%0.023CC..EExtended strand (participates in β ladder)trans-117.4120.5169.5-47.2-171.8000109I206 S207 Y221 A227 T442 M447 L450 R451 F452I206-L223 WeakPolarHBondContact CA-O 3.22Å; S207-L223 PolarHBondContact N-O 2.87Å; S207-L223 PolarHBondContact O-N 2.8Å; Y221-L223 HydrophobicContact CD1-CD2 4.24Å; Y221-L223 HydrophobicContact CE1-CD1 4.48Å; Y221-L223 HydrophobicContact CE1-CD2 3.52Å; Y221-L223 HydrophobicContact CE1-CG 4.07Å; L223-A227 HydrophobicContact CD2-CB 3.98Å; L223-T442 HydrophobicContact CD2-CG2 3.89Å; L223-M447 HydrophobicContact CB-CE 4.05Å; L223-M447 HydrophobicContact CB-SD 3.73Å; L223-M447 HydrophobicContact CD1-SD 3.6Å; L223-M447 VanDerWaalsContact CD1-SD 3.6Å; L223-M447 HydrophobicContact CD2-CE 4.32Å; L223-M447 HydrophobicContact CD2-SD 3.41Å; L223-M447 WeakPolarHBondContact CD2-SD 3.23Å; L223-M447 HydrophobicContact CG-SD 3.73Å; L223-L450 HydrophobicContact CB-CB 4.5Å; L223-L450 HydrophobicContact CB-CD2 4.21Å; L223-R451 WeakPolarHBondContact CD1-O 3.4Å; L223-F452 HydrophobicContact CD1-CB 4.13Å; L223-F452 HydrophobicContact CD1-CD1 3.71Å; L223-F452 HydrophobicContact CD1-CG 4.4Å; L223-F452 HydrophobicContact CG-CD1 4.22Å
224T96.4Very high97Very high9 Ų94.4 Ų4.46%0.0553%0.033CC..SBendtrans-125.7-138.5171.270.60000107.6I206 A226 N259 M447 L450I206-T224 HydrophobicContact CB-CG2 4.33Å; I206-T224 HydrophobicContact CG1-CG2 3.88Å; I206-T224 HydrophobicContact CG2-CG2 4.07Å; T224-A226 CarbonylContact C-O 3.49Å; T224-A226 PolarHBondContact N-O 3.42Å; T224-A226 PolarHBondContact O-N 3.21Å; T224-A226 PolarHBondContact OG1-N 2.92Å; T224-A226 VanDerWaalsContact OG1-N 3.12Å; T224-A226 PolarHBondContact OG1-O 2.91Å; T224-N259 HydrophobicContact CG2-CB 4.32Å; T224-M447 WeakPolarHBondContact O-CE 3.19Å; T224-L450 WeakPolarHBondContact O-CD2 3.36Å
225S86.4Confident96.8Very high41 Ų414.5 Ų4.529%0.2873%0.034SC..SBendtrans-70.7-8.9160.978.50000113.5K290S225-K290 PolarHBondContact O-NZ 2.84Å; S225-K290 PolarHBondContact OG-NZ 3.14Å
226A96.5Very high96.6Very high6 Ų66.7 Ų6.75%0.055%0.045CC..SBendtrans-128.1164.4171.200000109.3T224 I286 V287 M447T224-A226 CarbonylContact C-O 3.49Å; T224-A226 PolarHBondContact N-O 3.42Å; T224-A226 PolarHBondContact O-N 3.21Å; T224-A226 PolarHBondContact OG1-N 2.92Å; T224-A226 VanDerWaalsContact OG1-N 3.12Å; T224-A226 PolarHBondContact OG1-O 2.91Å; A226-I286 HydrophobicContact CB-CG2 4.19Å; A226-V287 CarbonylContact C-O 3.56Å; A226-V287 VanDerWaalsContact CA-O 3.31Å; A226-V287 WeakPolarHBondContact CA-O 3.17Å; A226-V287 WeakPolarHBondContact CB-O 3.24Å; A226-M447 WeakPolarHBondContact O-CE 3.3Å
227A98.5Very high96.5Very high0 Ų08.6 Ų8.60%06%0.056CC..EExtended strand (participates in β ladder)trans-102.6134.7166.400000109.9F173 Y222 L223 I286 V287 Y289 M447F173-A227 HydrophobicContact CD1-CB 3.62Å; F173-A227 HydrophobicContact CD2-CB 4.2Å; F173-A227 HydrophobicContact CE1-CB 3.67Å; F173-A227 HydrophobicContact CE2-CB 4.24Å; F173-A227 HydrophobicContact CG-CB 3.88Å; F173-A227 HydrophobicContact CZ-CB 3.96Å; Y222-A227 WeakPolarHBondContact O-CA 3.35Å; L223-A227 HydrophobicContact CD2-CB 3.98Å; A227-I286 WeakPolarHBondContact O-CA 3.49Å; A227-V287 PolarHBondContact N-O 3.42Å; A227-V287 PolarHBondContact O-N 2.91Å; A227-Y289 HydrophobicContact CB-CD2 4.1Å; A227-Y289 HydrophobicContact CB-CE2 3.59Å; A227-M447 HydrophobicContact CB-CE 4.09Å; A227-M447 HydrophobicContact CB-SD 4.19Å
228V98.9Very high96.3Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-131.4131-174.6-178.90000108.9Y221 Y222 W268 W284 M285 I286Y221-V228 WeakPolarHBondContact CA-O 3.39Å; Y222-V228 HydrophobicContact CD2-CB 4.37Å; Y222-V228 HydrophobicContact CD2-CG1 4.37Å; Y222-V228 PolarHBondContact N-O 3.09Å; Y222-V228 PolarHBondContact O-N 2.82Å; V228-W268 HydrophobicContact CG1-CH2 4.21Å; V228-W268 HydrophobicContact CG1-CZ2 3.54Å; V228-W284 HydrophobicContact CG1-CE3 3.63Å; V228-W284 HydrophobicContact CG1-CZ3 3.81Å; V228-M285 WeakPolarHBondContact CA-O 3.38Å; V228-I286 HydrophobicContact CG1-CG1 4.28Å; V228-I286 HydrophobicContact CG2-CG1 4.22Å; V228-I286 HydrophobicContact CG2-CG2 4Å
229T98.9Very high96.3Very high0 Ų020.8 Ų20.80%012%0.121CC..EExtended strand (participates in β ladder)trans-150.4167.1176.1-163.60000108.9A160 F173 H175 D220 W284 M285A160-T229 HydrophobicContact CB-CG2 4.09Å; F173-T229 HydrophobicContact CE1-CG2 3.69Å; F173-T229 HydrophobicContact CE2-CG2 3.91Å; F173-T229 HydrophobicContact CZ-CG2 3.21Å; H175-T229 WeakPolarHBondContact CB-OG1 3.47Å; H175-T229 PolarHBondContact CD2-OG1 3.13Å; D220-T229 VanDerWaalsContact O-CA 3.31Å; D220-T229 WeakPolarHBondContact O-CA 3.49Å; D220-T229 WeakPolarHBondContact O-CB 3.36Å; D220-T229 PolarHBondContact O-OG1 3.2Å; T229-W284 WeakPolarHBondContact O-CA 3.16Å; T229-M285 HydrophobicContact CG2-CB 4.13Å; T229-M285 HydrophobicContact CG2-CE 3.76Å; T229-M285 HydrophobicContact CG2-SD 4.36Å; T229-M285 PolarHBondContact N-O 2.93Å; T229-M285 VanDerWaalsContact N-O 3.09Å; T229-M285 PolarHBondContact O-N 2.98Å
230E98.8Very high96.3Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-139.4173170.756.662.1-111.800113.2H175 D220 T232 N282 Q283 W284H175-E230 PolarHBondContact NE2-O 3.2Å; D220-E230 HydrophobicContact CB-CG 3.91Å; D220-E230 PolarHBondContact N-OE1 3Å; E230-T232 PolarHBondContact OE2-N 3.47Å; E230-T232 PolarHBondContact OE2-OG1 2.73Å; E230-N282 HydrophobicContact CB-CB 3.89Å; E230-N282 HydrophobicContact CG-CB 3.87Å; E230-N282 WeakPolarHBondContact CG-ND2 3.39Å; E230-N282 PolarHBondContact OE2-ND2 3.11Å; E230-N282 PolarHBondContact OE2-OD1 3.46Å; E230-N282 VanDerWaalsContact OE2-OD1 3.09Å; E230-Q283 CarbonylContact C-O 3.56Å; E230-Q283 WeakPolarHBondContact CA-O 3.43Å; E230-Q283 WeakPolarHBondContact CB-O 3.25Å; E230-W284 HydrophobicContact CB-CD2 3.72Å; E230-W284 HydrophobicContact CB-CE3 3.77Å; E230-W284 HydrophobicContact CB-CG 4.11Å; E230-W284 HydrophobicContact CB-CH2 4.46Å; E230-W284 HydrophobicContact CB-CZ2 4.46Å; E230-W284 HydrophobicContact CB-CZ3 4.15Å; E230-W284 HydrophobicContact CG-CD2 3.99Å; E230-W284 HydrophobicContact CG-CE3 3.93Å; E230-W284 HydrophobicContact CG-CH2 3.72Å; E230-W284 HydrophobicContact CG-CZ2 3.82Å; E230-W284 HydrophobicContact CG-CZ3 3.8Å
231T98.7Very high96.2Very high0 Ų021.6 Ų21.60%012%0.124CC..EExtended strand (participates in β ladder)trans-131.413915277.40000110.4C158 A160 I233 Q283 M285 S332 N334C158-T231 HydrophobicContact CB-CG2 3.54Å; A160-T231 HydrophobicContact CB-CG2 4Å; T231-I233 PolarHBondContact O-N 2.59Å; T231-Q283 PolarHBondContact N-O 3.02Å; T231-Q283 VanDerWaalsContact N-O 3.08Å; T231-Q283 PolarHBondContact O-N 3.43Å; T231-M285 HydrophobicContact CG2-CE 4.24Å; T231-S332 WeakPolarHBondContact CG2-OG 3.47Å; T231-S332 PolarHBondContact OG1-OG 3.11Å; T231-N334 PolarHBondContact OG1-N 3.09Å; T231-N334 VanDerWaalsContact OG1-N 3.12Å
232T98Very high96.1Very high5 Ų524.7 Ų24.73%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-66.9118.4-179.3-47.80000112.1M139 E230 Y280 T281 N282 N334M139-T232 HydrophobicContact CE-CG2 3.92Å; M139-T232 HydrophobicContact SD-CG2 4.26Å; E230-T232 PolarHBondContact OE2-N 3.47Å; E230-T232 PolarHBondContact OE2-OG1 2.73Å; T232-Y280 HydrophobicContact CG2-CD2 4.45Å; T232-Y280 WeakPolarHBondContact OG1-CE2 3.43Å; T232-T281 CarbonylContact C-O 3.57Å; T232-T281 WeakPolarHBondContact CA-O 3.2Å; T232-T281 WeakPolarHBondContact CG2-O 3.43Å; T232-N282 WeakPolarHBondContact CA-OD1 3.32Å; T232-N282 WeakPolarHBondContact CB-OD1 3.25Å; T232-N282 WeakPolarHBondContact CG2-OD1 3.43Å; T232-N282 PolarHBondContact OG1-OD1 3.12Å; T232-N282 VanDerWaalsContact OG1-OD1 3.11Å; T232-N334 PolarHBondContact N-ND2 2.98Å; T232-N334 WeakPolarHBondContact O-CA 3.49Å; T232-N334 WeakPolarHBondContact O-CB 3.26Å; T232-N334 PolarHBondContact O-ND2 3.04Å
233I96.6Very high96Very high6 Ų632.1 Ų32.13%0.03119%0.185CC..  trans-89.1-20.2-176.853.9168.6000113.1T231 T281 Q283 E309 I311 P336 I341T231-I233 PolarHBondContact O-N 2.59Å; I233-T281 VanDerWaalsContact CG1-O 3.3Å; I233-T281 WeakPolarHBondContact CG1-O 3.45Å; I233-T281 PolarHBondContact N-O 2.98Å; I233-Q283 HydrophobicContact CG2-CB 3.76Å; I233-E309 HydrophobicContact CD1-CB 4.18Å; I233-I311 HydrophobicContact CD1-CG2 3.95Å; I233-P336 HydrophobicContact CB-CB 4.29Å; I233-P336 HydrophobicContact CB-CG 4.5Å; I233-P336 HydrophobicContact CD1-CB 4.04Å; I233-P336 HydrophobicContact CG2-CB 4.17Å; I233-I341 HydrophobicContact CD1-CG2 3.67Å
234G85.8Confident96Very high22 Ų2232.3 Ų32.323%0.22719%0.186CC..  trans69.7171.7-178.300000113.8T281G234-T281 WeakPolarHBondContact CA-OG1 3.39Å; G234-T281 PolarHBondContact N-O 3.45Å; G234-T281 PolarHBondContact N-OG1 2.96Å
235N95.3Very high96Very high3 Ų334.3 Ų34.32%0.01620%0.198CC..  trans-145.3117177.9171.754000109.9R143 N237 S240 Y241 T281R143-N235 PolarHBondContact NH1-O 2.99Å; N235-N237 PolarHBondContact ND2-O 3.45Å; N235-N237 VanDerWaalsContact ND2-O 3.16Å; N235-N237 WeakPolarHBondContact OD1-CB 3.44Å; N235-N237 PolarHBondContact OD1-N 2.95Å; N235-S240 PolarHBondContact ND2-OG 3.4Å; N235-S240 PolarHBondContact OD1-OG 3.45Å; N235-Y241 WeakPolarHBondContact ND2-CE1 3.46Å; N235-Y241 VanDerWaalsContact ND2-CZ 3.33Å; N235-Y241 PolarHBondContact O-OH 3.27Å; N235-T281 HydrophobicContact CB-CG2 4.43Å
236D94.5Very high96.6Very high45 Ų4535.4 Ų35.424%0.24120%0.199CC..  trans-104.58.2176.4-75.9-50.4000113.2R143 E238 S345 N346 N350R143-D236 IonicContact CZ-OD1 2.98Å; R143-D236 IonicContact NH1-OD1 2.73Å; R143-D236 PolarHBondContact NH1-OD1 3.23Å; R143-D236 IonicContact NH2-OD1 2.73Å; R143-D236 PolarHBondContact NH2-OD1 3.49Å; D236-E238 PolarHBondContact O-N 3.05Å; D236-S345 WeakPolarHBondContact CA-O 3.29Å; D236-S345 PolarHBondContact N-O 3.29Å; D236-N346 HydrophobicContact CB-CB 4.29Å; D236-N346 PolarHBondContact O-ND2 3.46Å; D236-N350 PolarHBondContact OD2-ND2 2.99Å
237N96.1Very high96.6Very high42 Ų4241.7 Ų41.723%0.22522%0.222CC..  trans-85.695.5169.1-175.7-2000109.8N235 T239 S240 A344 S345 N346N235-N237 PolarHBondContact ND2-O 3.45Å; N235-N237 VanDerWaalsContact ND2-O 3.16Å; N235-N237 WeakPolarHBondContact OD1-CB 3.44Å; N235-N237 PolarHBondContact OD1-N 2.95Å; N237-T239 PolarHBondContact O-N 2.67Å; N237-T239 PolarHBondContact OD1-N 3.15Å; N237-T239 PolarHBondContact OD1-OG1 2.9Å; N237-S240 PolarHBondContact O-N 3.07Å; N237-S240 PolarHBondContact O-OG 2.74Å; N237-A344 WeakPolarHBondContact CB-O 3.39Å; N237-A344 PolarHBondContact ND2-O 3.07Å; N237-S345 PolarHBondContact N-O 3.39Å; N237-N346 HydrophobicContact CB-CB 4.04Å
238E94.3Very high96.6Very high144 Ų14442 Ų4267%0.67322%0.223SC*.G310 helixtrans-62.1-27.5-178.6-66.3-170.4170.100113.3D236 S240 Y241D236-E238 PolarHBondContact O-N 3.05Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 3.11Å; E238-Y241 WeakPolarHBondContact O-CD2 3.28Å; E238-Y241 PolarHBondContact O-N 2.93Å
239T96.1Very high96.5Very high114 Ų11442 Ų4270%0.69922%0.223SC*.G310 helixtrans-71.2-28-179.564.80000112.5N237 Y241 G242N237-T239 PolarHBondContact O-N 2.67Å; N237-T239 PolarHBondContact OD1-N 3.15Å; N237-T239 PolarHBondContact OD1-OG1 2.9Å; T239-Y241 PolarHBondContact O-N 2.81Å; T239-G242 PolarHBondContact O-N 3.08Å
240S97.2Very high96.5Very high3 Ų342.1 Ų42.12%0.02122%0.224CC..G310 helixtrans-69.9-18.2-18070.70000112.7N235 N237 E238 G242 Y243 P312N235-S240 PolarHBondContact ND2-OG 3.4Å; N235-S240 PolarHBondContact OD1-OG 3.45Å; N237-S240 PolarHBondContact O-N 3.07Å; N237-S240 PolarHBondContact O-OG 2.74Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 3.11Å; S240-G242 PolarHBondContact O-N 3.38Å; S240-Y243 WeakPolarHBondContact O-CB 3.28Å; S240-Y243 VanDerWaalsContact O-CD2 3.26Å; S240-Y243 WeakPolarHBondContact O-CD2 3.46Å; S240-Y243 PolarHBondContact O-N 3.45Å; S240-P312 WeakPolarHBondContact O-CB 3.42Å
241Y96.9Very high96.5Very high14 Ų1442.1 Ų42.16%0.05522%0.224CC..G310 helixtrans-62.8-14172.7-65.6-50.8000114D140 R143 N235 E238 T239 Y243 I244 P312D140-Y241 HydrophobicContact CB-CE1 4.02Å; R143-Y241 HydrophobicContact CB-CD2 4.16Å; R143-Y241 HydrophobicContact CB-CE1 4.38Å; R143-Y241 HydrophobicContact CB-CE2 3.5Å; R143-Y241 WeakPolarHBondContact CD-OH 3.38Å; R143-Y241 HydrophobicContact CG-CE2 4.4Å; N235-Y241 WeakPolarHBondContact ND2-CE1 3.46Å; N235-Y241 VanDerWaalsContact ND2-CZ 3.33Å; N235-Y241 PolarHBondContact O-OH 3.27Å; E238-Y241 WeakPolarHBondContact O-CD2 3.28Å; E238-Y241 PolarHBondContact O-N 2.93Å; T239-Y241 PolarHBondContact O-N 2.81Å; Y241-Y243 PolarHBondContact O-N 3.5Å; Y241-I244 HydrophobicContact CD1-CD1 3.65Å; Y241-I244 HydrophobicContact CE1-CD1 4.33Å; Y241-I244 PolarHBondContact O-N 3.28Å; Y241-P312 HydrophobicContact CD1-CG 4.15Å; Y241-P312 HydrophobicContact CE1-CG 4.31Å
242G96.6Very high96.4Very high64 Ų6442.4 Ų42.466%0.6623%0.225SC*.G310 helixtrans-67.8-16.8168.500000114.5T239 S240T239-G242 PolarHBondContact O-N 3.08Å; S240-G242 PolarHBondContact O-N 3.38Å
243Y97.4Very high96.5Very high157 Ų15742.1 Ų42.162%0.61622%0.224SC*.G310 helixtrans-82.5-17.4176.1-64.4-63.9000113.8S240 Y241 T245S240-Y243 WeakPolarHBondContact O-CB 3.28Å; S240-Y243 VanDerWaalsContact O-CD2 3.26Å; S240-Y243 WeakPolarHBondContact O-CD2 3.46Å; S240-Y243 PolarHBondContact O-N 3.45Å; Y241-Y243 PolarHBondContact O-N 3.5Å; Y243-T245 PolarHBondContact O-N 3.1Å
244I98Very high96.6Very high4 Ų441.9 Ų41.92%0.02122%0.222CC..  trans-72.9122.9174.5-57.7-177.7000107Y77 D140 L141 K144 Y241 E248 T279 P312Y77-I244 HydrophobicContact CE2-CG2 4.4Å; D140-I244 HydrophobicContact CB-CD1 4.33Å; L141-I244 HydrophobicContact CD2-CG2 4Å; K144-I244 HydrophobicContact CD-CB 3.89Å; K144-I244 HydrophobicContact CD-CD1 4.43Å; K144-I244 HydrophobicContact CD-CG2 3.73Å; K144-I244 VanDerWaalsContact NZ-C 3.33Å; K144-I244 PolarHBondContact NZ-O 3.47Å; Y241-I244 HydrophobicContact CD1-CD1 3.65Å; Y241-I244 HydrophobicContact CE1-CD1 4.33Å; Y241-I244 PolarHBondContact O-N 3.28Å; I244-E248 WeakPolarHBondContact CG2-OE1 3.46Å; I244-T279 HydrophobicContact CD1-CG2 3.83Å; I244-T279 HydrophobicContact CG1-CG2 4.46Å; I244-T279 HydrophobicContact CG2-CG2 4.02Å; I244-P312 HydrophobicContact CD1-CG 4.2Å; I244-P312 HydrophobicContact CG1-CB 4.13Å; I244-P312 HydrophobicContact CG1-CG 4.19Å
245T97.4Very high97.2Very high50 Ų5040.8 Ų40.831%0.30721%0.212SC..  trans-134.4171.6-178.771.20000112Y77 Y243 Y247 E248Y77-T245 VanDerWaalsContact CE2-C 3.49Å; Y77-T245 VanDerWaalsContact CE2-O 3.29Å; Y77-T245 WeakPolarHBondContact CE2-O 3.32Å; Y77-T245 PolarHBondContact OH-O 3.05Å; Y243-T245 PolarHBondContact O-N 3.1Å; T245-Y247 PolarHBondContact O-N 3.49Å; T245-Y247 PolarHBondContact OG1-N 2.94Å; T245-E248 PolarHBondContact N-OE1 3.06Å; T245-E248 VanDerWaalsContact N-OE1 3.08Å; T245-E248 PolarHBondContact N-OE2 3.48Å; T245-E248 WeakPolarHBondContact O-CG 3.35Å
246E97.4Very high97.3Very high64 Ų6440.7 Ų40.730%0.29921%0.211SC..SBendtrans-73.3-7175.262-84.8-168.100113.7Y77 N81 E248Y77-E246 HydrophobicContact CD2-CB 4.43Å; Y77-E246 HydrophobicContact CE2-CB 4.42Å; N81-E246 WeakPolarHBondContact CA-O 3.11Å; N81-E246 HydrophobicContact CB-CB 4.31Å; N81-E246 PolarHBondContact ND2-O 3.17Å; E246-E248 PolarHBondContact O-N 3.41Å
247Y97.7Very high97.5Very high138 Ų13838.5 Ų38.554%0.54120%0.199SC..SBendtrans-10140.4-174.7-51.8-73000113.4W84 T245W84-Y247 AromaticContact CD1-CD1 3.5Å; W84-Y247 VanDerWaalsContact CD1-CD1 3.5Å; W84-Y247 HydrophobicContact CD2-CD1 4.3Å; W84-Y247 AromaticContact CG-CD1 3.87Å; W84-Y247 HydrophobicContact CG-CD1 3.87Å; W84-Y247 VanDerWaalsContact CH2-O 3.28Å; W84-Y247 WeakPolarHBondContact CH2-O 3.46Å; W84-Y247 WeakPolarHBondContact CZ2-O 3.26Å; W84-Y247 VanDerWaalsContact CZ3-C 3.47Å; W84-Y247 AromaticContact NE1-CD1 3.67Å; T245-Y247 PolarHBondContact O-N 3.49Å; T245-Y247 PolarHBondContact OG1-N 2.94Å
248E97.5Very high97.6Very high7 Ų736.5 Ų36.53%0.03319%0.189CC..SBendtrans-139.9161.7-176.467.9-160.2-179.800110.8Y77 N81 W84 I244 T245 E246 S277Y77-E248 PolarHBondContact OH-OE1 2.81Å; N81-E248 PolarHBondContact ND2-O 3.12Å; W84-E248 VanDerWaalsContact CZ3-C 3.43Å; W84-E248 VanDerWaalsContact CZ3-N 3.28Å; W84-E248 VanDerWaalsContact CZ3-O 3.26Å; W84-E248 WeakPolarHBondContact CZ3-O 3.38Å; I244-E248 WeakPolarHBondContact CG2-OE1 3.46Å; T245-E248 PolarHBondContact N-OE1 3.06Å; T245-E248 VanDerWaalsContact N-OE1 3.08Å; T245-E248 PolarHBondContact N-OE2 3.48Å; T245-E248 WeakPolarHBondContact O-CG 3.35Å; E246-E248 PolarHBondContact O-N 3.41Å; E248-S277 WeakPolarHBondContact OE2-CA 3.03Å
249V98.5Very high97.9Very high0 Ų029.7 Ų29.70%016%0.157CC..BIsolated β-bridgetrans-102.4121.2179-178.10000108.4W84 M85 F97 W98 V101 I253 R254 F275 S277W84-V249 HydrophobicContact CH2-CG2 4.37Å; W84-V249 HydrophobicContact CZ3-CG2 4.05Å; M85-V249 HydrophobicContact CG-CG2 4.49Å; M85-V249 HydrophobicContact SD-CB 4.48Å; M85-V249 HydrophobicContact SD-CG1 4.16Å; M85-V249 HydrophobicContact SD-CG2 4.34Å; F97-V249 HydrophobicContact CE1-CG2 4.07Å; F97-V249 HydrophobicContact CZ-CG2 4.25Å; W98-V249 HydrophobicContact CH2-CG2 4.02Å; W98-V249 HydrophobicContact CZ3-CG2 4.15Å; V101-V249 HydrophobicContact CG2-CG1 4.32Å; V101-V249 HydrophobicContact CG2-CG2 4.5Å; V249-I253 HydrophobicContact CG1-CB 3.65Å; V249-I253 HydrophobicContact CG1-CD1 4.43Å; V249-I253 HydrophobicContact CG1-CG2 3.57Å; V249-R254 HydrophobicContact CB-CG 3.81Å; V249-R254 HydrophobicContact CG1-CG 3.66Å; V249-R254 WeakPolarHBondContact O-CD 3.32Å; V249-R254 WeakPolarHBondContact O-CG 3.34Å; V249-R254 PolarHBondContact O-NE 3.07Å; V249-F275 HydrophobicContact CB-CB 4.19Å; V249-F275 HydrophobicContact CG2-CB 3.79Å; V249-F275 HydrophobicContact CG2-CG 4.4Å; V249-F275 PolarHBondContact N-O 3.08Å; V249-S277 WeakPolarHBondContact O-CB 3.33Å; V249-S277 PolarHBondContact O-OG 3.14Å
250P98.1Very high98Very high3 Ų324.5 Ų24.52%0.01912%0.124CC..  trans-64.1154.6-178.428.3-35.7000111.7M85 M134 W252 I253 R254M85-P250 HydrophobicContact CE-CG 4.31Å; M85-P250 VanDerWaalsContact SD-CD 3.56Å; M85-P250 HydrophobicContact SD-CG 4.42Å; M134-P250 HydrophobicContact CE-CB 4.21Å; P250-W252 PolarHBondContact O-N 3.28Å; P250-I253 HydrophobicContact CG-CD1 4.13Å; P250-I253 HydrophobicContact CG-CG1 4.34Å; P250-I253 PolarHBondContact O-N 3.3Å; P250-R254 PolarHBondContact O-N 2.91Å
251S98Very high98Very high0 Ų025.4 Ų25.40%013%0.129CC..Hα-helixtrans-56.8-38.2-171.6-175.40000112.3D137 I253 R254 V255 T279D137-S251 WeakPolarHBondContact OD1-CB 3.14Å; D137-S251 PolarHBondContact OD1-N 3.49Å; S251-I253 PolarHBondContact O-N 2.8Å; S251-I253 VanDerWaalsContact O-N 3.11Å; S251-R254 PolarHBondContact O-N 3.23Å; S251-R254 VanDerWaalsContact O-N 3.13Å; S251-V255 WeakPolarHBondContact O-CG1 3.27Å; S251-V255 PolarHBondContact O-N 3.12Å; S251-T279 WeakPolarHBondContact CB-O 3.41Å
252W97.7Very high98Very high5 Ų525.1 Ų25.12%0.01913%0.129CC..Hα-helixtrans-60.1-26.1-179.980.3-89.9000114.6M104 L108 Q133 M134 D137 L216 P250M104-W252 HydrophobicContact CE-CE3 3.75Å; M104-W252 HydrophobicContact CE-CZ3 3.49Å; M104-W252 VanDerWaalsContact CE-CZ3 3.49Å; L108-W252 HydrophobicContact CB-CH2 4.41Å; L108-W252 HydrophobicContact CD2-CH2 3.85Å; L108-W252 HydrophobicContact CD2-CZ2 4.27Å; Q133-W252 HydrophobicContact CB-CB 4.43Å; Q133-W252 HydrophobicContact CB-CD2 3.54Å; Q133-W252 HydrophobicContact CB-CE3 3.6Å; Q133-W252 HydrophobicContact CB-CG 3.92Å; Q133-W252 HydrophobicContact CB-CH2 4.45Å; Q133-W252 HydrophobicContact CB-CZ2 4.4Å; Q133-W252 HydrophobicContact CB-CZ3 4.04Å; Q133-W252 HydrophobicContact CG-CD2 4.33Å; Q133-W252 HydrophobicContact CG-CE3 4.02Å; Q133-W252 HydrophobicContact CG-CH2 4.23Å; Q133-W252 HydrophobicContact CG-CZ3 3.94Å; Q133-W252 WeakPolarHBondContact O-CB 3.41Å; M134-W252 HydrophobicContact CG-CG 4.48Å; D137-W252 PolarHBondContact OD2-N 2.54Å; L216-W252 HydrophobicContact CD1-CB 3.55Å; L216-W252 HydrophobicContact CD2-CB 4.05Å; L216-W252 HydrophobicContact CD2-CE3 4.42Å; L216-W252 HydrophobicContact CG-CB 4.46Å; P250-W252 PolarHBondContact O-N 3.28Å
253I98.7Very high98Very high0 Ų027.4 Ų27.40%012%0.121CC..Hα-helixtrans-86.7-49172.9-62.9178.8000109.7M85 V101 M104 L105 V249 P250 S251 V255 M256 V257M85-I253 HydrophobicContact CE-CD1 3.92Å; M85-I253 HydrophobicContact SD-CD1 3.65Å; V101-I253 HydrophobicContact CB-CG2 4.33Å; V101-I253 HydrophobicContact CG1-CG2 4.23Å; V101-I253 HydrophobicContact CG2-CG2 3.95Å; M104-I253 HydrophobicContact CB-CG1 4.29Å; M104-I253 HydrophobicContact CB-CG2 4.12Å; M104-I253 HydrophobicContact CG-CG2 4.13Å; L105-I253 HydrophobicContact CD2-CD1 3.99Å; V249-I253 HydrophobicContact CG1-CB 3.65Å; V249-I253 HydrophobicContact CG1-CD1 4.43Å; V249-I253 HydrophobicContact CG1-CG2 3.57Å; P250-I253 HydrophobicContact CG-CD1 4.13Å; P250-I253 HydrophobicContact CG-CG1 4.34Å; P250-I253 PolarHBondContact O-N 3.3Å; S251-I253 PolarHBondContact O-N 2.8Å; S251-I253 VanDerWaalsContact O-N 3.11Å; I253-V255 VanDerWaalsContact C-N 3.28Å; I253-V255 PolarHBondContact O-N 2.81Å; I253-M256 PolarHBondContact O-N 3.09Å; I253-M256 VanDerWaalsContact O-N 3.08Å; I253-V257 HydrophobicContact CG2-CG2 3.88Å; I253-V257 WeakPolarHBondContact O-CG2 3.29Å; I253-V257 PolarHBondContact O-N 3.22Å
254R98.7Very high98Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-56.3-41.3-175.8-69.6-173.7-69110.70.2112.2V249 P250 S251 M256 V257 A258 F272 Q274 S277 E310V249-R254 HydrophobicContact CB-CG 3.81Å; V249-R254 HydrophobicContact CG1-CG 3.66Å; V249-R254 WeakPolarHBondContact O-CD 3.32Å; V249-R254 WeakPolarHBondContact O-CG 3.34Å; V249-R254 PolarHBondContact O-NE 3.07Å; P250-R254 PolarHBondContact O-N 2.91Å; S251-R254 PolarHBondContact O-N 3.23Å; S251-R254 VanDerWaalsContact O-N 3.13Å; R254-M256 PolarHBondContact O-N 2.89Å; R254-V257 PolarHBondContact O-N 2.98Å; R254-A258 WeakPolarHBondContact O-CB 3.31Å; R254-A258 PolarHBondContact O-N 2.71Å; R254-F272 HydrophobicContact CB-CD2 3.84Å; R254-F272 HydrophobicContact CB-CE2 3.87Å; R254-F272 PolarHBondContact NH1-O 2.97Å; R254-Q274 VanDerWaalsContact CD-O 3.24Å; R254-Q274 WeakPolarHBondContact CD-O 3.41Å; R254-S277 PolarHBondContact NH2-OG 2.95Å; R254-S277 VanDerWaalsContact NH2-OG 3.11Å; R254-E310 IonicContact CZ-OE1 3.77Å; R254-E310 IonicContact CZ-OE2 3.39Å; R254-E310 VanDerWaalsContact CZ-OE2 3.27Å; R254-E310 IonicContact NH1-OE1 3.7Å; R254-E310 PolarHBondContact NH1-OE1 2.95Å; R254-E310 IonicContact NH1-OE2 2.8Å; R254-E310 PolarHBondContact NH1-OE2 2.79Å; R254-E310 IonicContact NH2-OE1 3.84Å; R254-E310 PolarHBondContact NH2-OE1 3.22Å; R254-E310 IonicContact NH2-OE2 2.72Å; R254-E310 PolarHBondContact NH2-OE2 3.25Å
255V98.6Very high98Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-60.1-44.7177.7670000112L216 Y222 S251 I253 A258 N259 W268 F272 W284L216-V255 HydrophobicContact CD1-CG1 3.83Å; Y222-V255 HydrophobicContact CD2-CG2 4.33Å; Y222-V255 HydrophobicContact CE2-CG2 3.54Å; S251-V255 WeakPolarHBondContact O-CG1 3.27Å; S251-V255 PolarHBondContact O-N 3.12Å; I253-V255 VanDerWaalsContact C-N 3.28Å; I253-V255 PolarHBondContact O-N 2.81Å; V255-A258 PolarHBondContact O-N 2.9Å; V255-N259 WeakPolarHBondContact O-CB 3.41Å; V255-N259 PolarHBondContact O-N 3.27Å; V255-N259 PolarHBondContact O-ND2 3.38Å; V255-W268 HydrophobicContact CG2-CZ2 4.19Å; V255-F272 HydrophobicContact CB-CD2 4.42Å; V255-F272 HydrophobicContact CB-CE2 4.05Å; V255-W284 HydrophobicContact CB-CH2 3.94Å; V255-W284 HydrophobicContact CB-CZ2 4.22Å; V255-W284 HydrophobicContact CG2-CH2 3.24Å; V255-W284 HydrophobicContact CG2-CZ2 3.97Å; V255-W284 HydrophobicContact CG2-CZ3 3.64Å
256M98.6Very high98Very high0 Ų024.9 Ų24.90%011%0.113CC..Hα-helixtrans-73-35.8-179.4-70.2-56.9-68.200111.8M104 I206 M208 L216 Y222 I253 R254 N259 R260M104-M256 HydrophobicContact CE-CB 3.83Å; M104-M256 HydrophobicContact CE-CG 3.74Å; M104-M256 HydrophobicContact CG-CB 4.28Å; M104-M256 HydrophobicContact SD-CB 3.55Å; M104-M256 VanDerWaalsContact SD-CB 3.55Å; M104-M256 HydrophobicContact SD-CG 4.01Å; I206-M256 HydrophobicContact CD1-CE 3.91Å; M208-M256 HydrophobicContact CE-CE 4.48Å; L216-M256 HydrophobicContact CB-CG 3.88Å; L216-M256 HydrophobicContact CB-SD 4.05Å; Y222-M256 HydrophobicContact CD1-SD 4.39Å; Y222-M256 HydrophobicContact CE1-SD 3.71Å; I253-M256 PolarHBondContact O-N 3.09Å; I253-M256 VanDerWaalsContact O-N 3.08Å; R254-M256 PolarHBondContact O-N 2.89Å; M256-N259 PolarHBondContact O-N 2.89Å; M256-R260 WeakPolarHBondContact O-CB 3.25Å; M256-R260 WeakPolarHBondContact O-CD 3.39Å; M256-R260 WeakPolarHBondContact O-CG 3.3Å; M256-R260 PolarHBondContact O-N 3.45Å
257V98.6Very high98.1Very high0 Ų025.1 Ų25.10%012%0.115CC..Hα-helixtrans-61.8-48.4172.7173.80000110.5F97 Q100 V101 I253 R254 R260 L261F97-V257 HydrophobicContact CD2-CG1 3.56Å; F97-V257 HydrophobicContact CE2-CG1 3.8Å; F97-V257 HydrophobicContact CG-CG1 4.29Å; Q100-V257 HydrophobicContact CB-CB 4.36Å; Q100-V257 HydrophobicContact CB-CG1 4.05Å; Q100-V257 HydrophobicContact CB-CG2 3.84Å; V101-V257 HydrophobicContact CG2-CG2 4.14Å; I253-V257 HydrophobicContact CG2-CG2 3.88Å; I253-V257 WeakPolarHBondContact O-CG2 3.29Å; I253-V257 PolarHBondContact O-N 3.22Å; R254-V257 PolarHBondContact O-N 2.98Å; V257-R260 PolarHBondContact O-N 3.33Å; V257-L261 HydrophobicContact CG1-CD1 3.66Å; V257-L261 HydrophobicContact CG1-CG 4.34Å; V257-L261 WeakPolarHBondContact O-CB 3.1Å; V257-L261 WeakPolarHBondContact O-CG 3.35Å; V257-L261 PolarHBondContact O-N 3.03Å
258A98.6Very high98.1Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-62.4-43.8177.200000112.2R254 V255 R260 L261 S262 W268 Q271 F272R254-A258 WeakPolarHBondContact O-CB 3.31Å; R254-A258 PolarHBondContact O-N 2.71Å; V255-A258 PolarHBondContact O-N 2.9Å; A258-R260 VanDerWaalsContact C-N 3.26Å; A258-R260 PolarHBondContact O-N 3Å; A258-L261 PolarHBondContact O-N 3.41Å; A258-S262 VanDerWaalsContact O-CB 3.3Å; A258-S262 WeakPolarHBondContact O-CB 3.28Å; A258-S262 PolarHBondContact O-N 3.17Å; A258-S262 PolarHBondContact O-OG 2.94Å; A258-W268 HydrophobicContact CB-CD2 4.06Å; A258-W268 HydrophobicContact CB-CG 4.2Å; A258-W268 HydrophobicContact CB-CZ2 4.11Å; A258-Q271 HydrophobicContact CB-CB 3.9Å; A258-F272 HydrophobicContact CB-CB 3.94Å
259N98.7Very high98.2Very high1 Ų118.9 Ų18.91%0.0059%0.091CC..Hα-helixtrans-59.7-35.4175.9-77.1-21.9000112.9G203 I206 Y222 T224 V255 M256 W268G203-N259 WeakPolarHBondContact CA-O 3.22Å; I206-N259 HydrophobicContact CD1-CB 3.94Å; Y222-N259 VanDerWaalsContact CD1-ND2 3.3Å; Y222-N259 WeakPolarHBondContact CD1-ND2 3.31Å; T224-N259 HydrophobicContact CG2-CB 4.32Å; V255-N259 WeakPolarHBondContact O-CB 3.41Å; V255-N259 PolarHBondContact O-N 3.27Å; V255-N259 PolarHBondContact O-ND2 3.38Å; M256-N259 PolarHBondContact O-N 2.89Å; N259-W268 PolarHBondContact OD1-NE1 3.4Å
260R98.2Very high98.2Very high4 Ų423.6 Ų23.62%0.01511%0.113CC..Hα-helixtrans-77.4-47.4179.4-72.2168.1-175168.70.7112T103 M104 V201 P202 G203 I206 M256 V257 A258T103-R260 PolarHBondContact OG1-NH1 3.11Å; M104-R260 PolarHBondContact SD-NH1 2.73Å; M104-R260 PolarHBondContact SD-NH2 3.11Å; V201-R260 HydrophobicContact CB-CB 4.41Å; V201-R260 WeakPolarHBondContact CB-O 3.4Å; V201-R260 HydrophobicContact CG2-CB 4.24Å; P202-R260 VanDerWaalsContact CD-O 3.29Å; P202-R260 WeakPolarHBondContact CD-O 3.15Å; G203-R260 PolarHBondContact N-O 3.2Å; I206-R260 HydrophobicContact CD1-CG 3.92Å; M256-R260 WeakPolarHBondContact O-CB 3.25Å; M256-R260 WeakPolarHBondContact O-CD 3.39Å; M256-R260 WeakPolarHBondContact O-CG 3.3Å; M256-R260 PolarHBondContact O-N 3.45Å; V257-R260 PolarHBondContact O-N 3.33Å; A258-R260 VanDerWaalsContact C-N 3.26Å; A258-R260 PolarHBondContact O-N 3Å
261L98Very high98.2Very high22 Ų2225.6 Ų25.612%0.11512%0.122CC..Hα-helixtrans-83.4-21.9-167.4-67.3-179.6000114.7P96 Q100 V201 V257 A258 Q271P96-L261 HydrophobicContact CB-CD1 4.19Å; P96-L261 HydrophobicContact CB-CD2 4Å; Q100-L261 HydrophobicContact CG-CD1 4.13Å; Q100-L261 HydrophobicContact CG-CD2 3.69Å; Q100-L261 HydrophobicContact CG-CG 3.91Å; V201-L261 HydrophobicContact CG1-CD2 3.86Å; V257-L261 HydrophobicContact CG1-CD1 3.66Å; V257-L261 HydrophobicContact CG1-CG 4.34Å; V257-L261 WeakPolarHBondContact O-CB 3.1Å; V257-L261 WeakPolarHBondContact O-CG 3.35Å; V257-L261 PolarHBondContact O-N 3.03Å; A258-L261 PolarHBondContact O-N 3.41Å; L261-Q271 HydrophobicContact CB-CG 4.17Å
262S97.8Very high98.2Very high8 Ų825.6 Ų25.66%0.05612%0.122CC..  trans-91.4132.7-167.2-63.10000114.2A258 Q267 W268 Q271A258-S262 VanDerWaalsContact O-CB 3.3Å; A258-S262 WeakPolarHBondContact O-CB 3.28Å; A258-S262 PolarHBondContact O-N 3.17Å; A258-S262 PolarHBondContact O-OG 2.94Å; S262-Q267 PolarHBondContact OG-O 3.13Å; S262-Q267 VanDerWaalsContact OG-O 3.11Å; S262-W268 WeakPolarHBondContact OG-CA 3.47Å; S262-W268 PolarHBondContact OG-N 3.18Å; S262-W268 VanDerWaalsContact OG-N 3.14Å; S262-Q271 WeakPolarHBondContact OG-CG 3.16Å
263K96.3Very high98.3Very high113 Ų11327.3 Ų27.349%0.49113%0.134SC..SBendtrans-91-27.5172.1-59.8-178.4177.5179.20112.2P202 Q267 K290P202-K263 HydrophobicContact CB-CG 3.73Å; P202-K263 HydrophobicContact CG-CD 4.12Å; P202-K263 HydrophobicContact CG-CG 3.32Å; K263-Q267 VanDerWaalsContact CB-OE1 3.31Å; K263-K290 VanDerWaalsContact O-CE 3.23Å; K263-K290 WeakPolarHBondContact O-CE 3.39Å; K263-K290 PolarHBondContact O-NZ 3.48Å
264T97.5Very high98.2Very high56 Ų5630.5 Ų30.534%0.34415%0.15SC..SBendtrans-127.3161.7-177.269.20000111.9K266 Q267 W268 D288T264-K266 VanDerWaalsContact C-N 3.3Å; T264-K266 PolarHBondContact O-N 2.69Å; T264-Q267 PolarHBondContact O-N 2.68Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.3Å; T264-Q267 PolarHBondContact OG1-N 3.41Å; T264-W268 PolarHBondContact O-N 3.11Å; T264-D288 WeakPolarHBondContact CA-OD2 3.4Å
265A97.9Very high98.2Very high1 Ų134.4 Ų34.41%0.00817%0.167CC..Hα-helixtrans-59.1-4017500000112.7W268 T269 I286 D288 Y306A265-W268 VanDerWaalsContact O-CB 3.28Å; A265-W268 WeakPolarHBondContact O-CB 3.49Å; A265-W268 PolarHBondContact O-N 3.33Å; A265-T269 PolarHBondContact O-N 2.84Å; A265-I286 HydrophobicContact CB-CB 4.1Å; A265-I286 HydrophobicContact CB-CG2 3.6Å; A265-D288 HydrophobicContact CB-CB 4.08Å; A265-Y306 HydrophobicContact CB-CD2 3.48Å; A265-Y306 VanDerWaalsContact CB-CD2 3.48Å; A265-Y306 HydrophobicContact CB-CE2 4.23Å; A265-Y306 HydrophobicContact CB-CG 4.07Å
266K98.1Very high98.2Very high100 Ų10035.8 Ų35.844%0.43518%0.177SC..Hα-helixtrans-61.5-46.9174.1-171.2-177177.4-168.40112.6T264 W268 T269 E270 Y306T264-K266 VanDerWaalsContact C-N 3.3Å; T264-K266 PolarHBondContact O-N 2.69Å; K266-W268 PolarHBondContact O-N 2.99Å; K266-T269 PolarHBondContact O-N 2.88Å; K266-T269 VanDerWaalsContact O-N 3.15Å; K266-T269 PolarHBondContact O-OG1 3.19Å; K266-E270 VanDerWaalsContact CE-OE1 3.22Å; K266-E270 WeakPolarHBondContact CE-OE1 3.4Å; K266-E270 IonicContact NZ-OE1 2.87Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 2.79Å; K266-E270 VanDerWaalsContact O-N 3.09Å; K266-Y306 HydrophobicContact CB-CD1 4.47Å; K266-Y306 HydrophobicContact CB-CE1 3.76Å; K266-Y306 HydrophobicContact CB-CE2 4.1Å; K266-Y306 HydrophobicContact CG-CE1 3.84Å
267Q98Very high98.1Very high70 Ų7035.9 Ų35.933%0.32718%0.177SC..Hα-helixtrans-61.7-34.3177-75175.8-12.600111.1S262 K263 T264 T269 E270 Q271S262-Q267 PolarHBondContact OG-O 3.13Å; S262-Q267 VanDerWaalsContact OG-O 3.11Å; K263-Q267 VanDerWaalsContact CB-OE1 3.31Å; T264-Q267 PolarHBondContact O-N 2.68Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.3Å; T264-Q267 PolarHBondContact OG1-N 3.41Å; Q267-T269 PolarHBondContact O-N 3.1Å; Q267-E270 PolarHBondContact O-N 2.79Å; Q267-Q271 WeakPolarHBondContact O-CB 3.27Å; Q267-Q271 VanDerWaalsContact O-CG 3.25Å; Q267-Q271 WeakPolarHBondContact O-CG 3.36Å; Q267-Q271 PolarHBondContact O-N 3.22Å
268W98.6Very high98.1Very high5 Ų535.9 Ų35.92%0.01918%0.177CC..Hα-helixtrans-58-47.5174.5-165.2100.5000111.7V228 V255 A258 N259 S262 T264 A265 K266 E270 Q271 F272 W284 I286V228-W268 HydrophobicContact CG1-CH2 4.21Å; V228-W268 HydrophobicContact CG1-CZ2 3.54Å; V255-W268 HydrophobicContact CG2-CZ2 4.19Å; A258-W268 HydrophobicContact CB-CD2 4.06Å; A258-W268 HydrophobicContact CB-CG 4.2Å; A258-W268 HydrophobicContact CB-CZ2 4.11Å; N259-W268 PolarHBondContact OD1-NE1 3.4Å; S262-W268 WeakPolarHBondContact OG-CA 3.47Å; S262-W268 PolarHBondContact OG-N 3.18Å; S262-W268 VanDerWaalsContact OG-N 3.14Å; T264-W268 PolarHBondContact O-N 3.11Å; A265-W268 VanDerWaalsContact O-CB 3.28Å; A265-W268 WeakPolarHBondContact O-CB 3.49Å; A265-W268 PolarHBondContact O-N 3.33Å; K266-W268 PolarHBondContact O-N 2.99Å; W268-E270 PolarHBondContact O-N 3.43Å; W268-Q271 PolarHBondContact O-N 3.39Å; W268-F272 HydrophobicContact CE3-CB 4.03Å; W268-F272 HydrophobicContact CH2-CB 3.81Å; W268-F272 HydrophobicContact CH2-CD1 4.14Å; W268-F272 AromaticContact CH2-CD2 3.63Å; W268-F272 HydrophobicContact CH2-CD2 3.63Å; W268-F272 HydrophobicContact CH2-CE2 4.25Å; W268-F272 AromaticContact CH2-CG 3.57Å; W268-F272 HydrophobicContact CH2-CG 3.57Å; W268-F272 HydrophobicContact CZ2-CB 4.41Å; W268-F272 HydrophobicContact CZ2-CD2 4.11Å; W268-F272 HydrophobicContact CZ2-CG 4.36Å; W268-F272 HydrophobicContact CZ3-CB 3.61Å; W268-F272 HydrophobicContact CZ3-CD1 4.11Å; W268-F272 HydrophobicContact CZ3-CD2 4.27Å; W268-F272 AromaticContact CZ3-CG 3.73Å; W268-F272 HydrophobicContact CZ3-CG 3.73Å; W268-F272 WeakPolarHBondContact O-CB 3.28Å; W268-F272 PolarHBondContact O-N 3.22Å; W268-W284 HydrophobicContact CH2-CB 4.02Å; W268-W284 AromaticContact CH2-CD2 3.4Å; W268-W284 HydrophobicContact CH2-CD2 3.4Å; W268-W284 AromaticContact CH2-CE3 3.5Å; W268-W284 HydrophobicContact CH2-CE3 3.5Å; W268-W284 AromaticContact CH2-CG 3.64Å; W268-W284 HydrophobicContact CH2-CG 3.64Å; W268-W284 HydrophobicContact CH2-CZ3 4.2Å; W268-W284 HydrophobicContact CZ2-CD2 4.21Å; W268-W284 AromaticContact CZ2-CE3 3.87Å; W268-W284 HydrophobicContact CZ2-CE3 3.87Å; W268-W284 HydrophobicContact CZ2-CZ3 4.21Å; W268-W284 HydrophobicContact CZ3-CB 3.85Å; W268-W284 HydrophobicContact CZ3-CD2 4.15Å; W268-W284 HydrophobicContact CZ3-CE3 4.43Å; W268-W284 AromaticContact CZ3-CG 3.89Å; W268-W284 HydrophobicContact CZ3-CG 3.89Å; W268-I286 HydrophobicContact CB-CG1 4.5Å; W268-I286 HydrophobicContact CB-CG2 4.4Å; W268-I286 HydrophobicContact CD2-CD1 4.22Å; W268-I286 HydrophobicContact CD2-CG1 3.79Å; W268-I286 HydrophobicContact CE3-CD1 3.5Å; W268-I286 VanDerWaalsContact CE3-CD1 3.5Å; W268-I286 HydrophobicContact CE3-CG1 3.61Å; W268-I286 HydrophobicContact CG-CG1 4.17Å; W268-I286 HydrophobicContact CZ3-CD1 3.82Å; W268-I286 HydrophobicContact CZ3-CG1 4.2Å
269T98.7Very high98Very high8 Ų836 Ų365%0.04918%0.177CC..Hα-helixtrans-65-39.2178.864.30000112A265 K266 Q267 S273 I286 Y306 L308 A317A265-T269 PolarHBondContact O-N 2.84Å; K266-T269 PolarHBondContact O-N 2.88Å; K266-T269 VanDerWaalsContact O-N 3.15Å; K266-T269 PolarHBondContact O-OG1 3.19Å; Q267-T269 PolarHBondContact O-N 3.1Å; T269-S273 WeakPolarHBondContact O-CB 3.26Å; T269-S273 PolarHBondContact O-N 2.95Å; T269-S273 VanDerWaalsContact O-N 3.14Å; T269-S273 PolarHBondContact O-OG 2.88Å; T269-I286 HydrophobicContact CG2-CD1 4.05Å; T269-Y306 HydrophobicContact CG2-CD1 4.12Å; T269-Y306 HydrophobicContact CG2-CG 4.39Å; T269-L308 HydrophobicContact CG2-CB 4.04Å; T269-L308 HydrophobicContact CG2-CD1 4.27Å; T269-A317 HydrophobicContact CG2-CB 4.1Å
270E98.5Very high97.9Very high99 Ų9936 Ų3646%0.46318%0.178SC..Hα-helixtrans-63.8-44.3175.2-67.9168.917000112.1K266 Q267 W268K266-E270 VanDerWaalsContact CE-OE1 3.22Å; K266-E270 WeakPolarHBondContact CE-OE1 3.4Å; K266-E270 IonicContact NZ-OE1 2.87Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 2.79Å; K266-E270 VanDerWaalsContact O-N 3.09Å; Q267-E270 PolarHBondContact O-N 2.79Å; W268-E270 PolarHBondContact O-N 3.43Å
271Q98.3Very high97.9Very high45 Ų4535.9 Ų35.921%0.2118%0.177CC..Hα-helixtrans-66.8-44.4178.6-68.5-63.3-22.900112.2A258 L261 S262 Q267 W268 S273 Q274A258-Q271 HydrophobicContact CB-CB 3.9Å; L261-Q271 HydrophobicContact CB-CG 4.17Å; S262-Q271 WeakPolarHBondContact OG-CG 3.16Å; Q267-Q271 WeakPolarHBondContact O-CB 3.27Å; Q267-Q271 VanDerWaalsContact O-CG 3.25Å; Q267-Q271 WeakPolarHBondContact O-CG 3.36Å; Q267-Q271 PolarHBondContact O-N 3.22Å; W268-Q271 PolarHBondContact O-N 3.39Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.28Å; Q271-Q274 PolarHBondContact O-N 3.23Å
272F98.7Very high97.9Very high0 Ų034.8 Ų34.80%017%0.172CC..Hα-helixtrans-67.7-28.8-178.8-174.7-99.4000113.3R254 V255 A258 W268 Q274 W284 L308 E310R254-F272 HydrophobicContact CB-CD2 3.84Å; R254-F272 HydrophobicContact CB-CE2 3.87Å; R254-F272 PolarHBondContact NH1-O 2.97Å; V255-F272 HydrophobicContact CB-CD2 4.42Å; V255-F272 HydrophobicContact CB-CE2 4.05Å; A258-F272 HydrophobicContact CB-CB 3.94Å; W268-F272 HydrophobicContact CE3-CB 4.03Å; W268-F272 HydrophobicContact CH2-CB 3.81Å; W268-F272 HydrophobicContact CH2-CD1 4.14Å; W268-F272 AromaticContact CH2-CD2 3.63Å; W268-F272 HydrophobicContact CH2-CD2 3.63Å; W268-F272 HydrophobicContact CH2-CE2 4.25Å; W268-F272 AromaticContact CH2-CG 3.57Å; W268-F272 HydrophobicContact CH2-CG 3.57Å; W268-F272 HydrophobicContact CZ2-CB 4.41Å; W268-F272 HydrophobicContact CZ2-CD2 4.11Å; W268-F272 HydrophobicContact CZ2-CG 4.36Å; W268-F272 HydrophobicContact CZ3-CB 3.61Å; W268-F272 HydrophobicContact CZ3-CD1 4.11Å; W268-F272 HydrophobicContact CZ3-CD2 4.27Å; W268-F272 AromaticContact CZ3-CG 3.73Å; W268-F272 HydrophobicContact CZ3-CG 3.73Å; W268-F272 WeakPolarHBondContact O-CB 3.28Å; W268-F272 PolarHBondContact O-N 3.22Å; F272-Q274 VanDerWaalsContact C-N 3.28Å; F272-Q274 PolarHBondContact O-N 3.33Å; F272-W284 AromaticContact CE1-CD1 3.59Å; F272-W284 AromaticContact CE1-NE1 3.26Å; F272-W284 VanDerWaalsContact CE1-NE1 3.26Å; F272-W284 AromaticContact CE2-CE2 3.93Å; F272-W284 AromaticContact CE2-CZ2 3.95Å; F272-W284 HydrophobicContact CE2-CZ2 3.95Å; F272-W284 AromaticContact CE2-NE1 3.88Å; F272-W284 AromaticContact CZ-CD1 3.92Å; F272-W284 AromaticContact CZ-CE2 3.61Å; F272-W284 AromaticContact CZ-CZ2 3.93Å; F272-W284 HydrophobicContact CZ-CZ2 3.93Å; F272-W284 AromaticContact CZ-NE1 3.1Å; F272-L308 HydrophobicContact CD1-CD1 3.98Å; F272-L308 HydrophobicContact CD1-CD2 3.68Å; F272-L308 HydrophobicContact CE1-CD2 3.83Å; F272-E310 WeakPolarHBondContact CE1-OE2 3.45Å; F272-E310 WeakPolarHBondContact CZ-OE2 3.42Å
273S98.5Very high98Very high41 Ų4134.4 Ų34.429%0.28717%0.169SC..THydrogen-bonded Turntrans-74.7-14.8-179.2-59.80000113.8T269 Q271 F275 L308T269-S273 WeakPolarHBondContact O-CB 3.26Å; T269-S273 PolarHBondContact O-N 2.95Å; T269-S273 VanDerWaalsContact O-N 3.14Å; T269-S273 PolarHBondContact O-OG 2.88Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.28Å; S273-F275 PolarHBondContact O-N 3.44Å; S273-L308 WeakPolarHBondContact OG-CD1 3.09Å
274Q98.3Very high98.1Very high68 Ų6829 Ų2932%0.31815%0.146SC..THydrogen-bonded Turntrans-69.5132.2179.8-74.1178.477.500111.3F97 R254 Q271 F272 S276F97-Q274 HydrophobicContact CD2-CB 4.06Å; F97-Q274 HydrophobicContact CE2-CB 3.64Å; F97-Q274 HydrophobicContact CZ-CB 3.97Å; R254-Q274 VanDerWaalsContact CD-O 3.24Å; R254-Q274 WeakPolarHBondContact CD-O 3.41Å; Q271-Q274 PolarHBondContact O-N 3.23Å; F272-Q274 VanDerWaalsContact C-N 3.28Å; F272-Q274 PolarHBondContact O-N 3.33Å; Q274-S276 PolarHBondContact O-N 2.81Å; Q274-S276 VanDerWaalsContact O-N 3.17Å
275F98Very high98.2Very high81 Ų8126.4 Ų26.436%0.35513%0.129SC..THydrogen-bonded Turntrans50.139179.5-52.5-84.1000112.9W84 F97 W98 V249 S273 S277W84-F275 HydrophobicContact CH2-CD1 4.04Å; W84-F275 HydrophobicContact CZ2-CD1 4.43Å; F97-F275 HydrophobicContact CD1-CD2 4.01Å; F97-F275 HydrophobicContact CD1-CE2 4.01Å; F97-F275 AromaticContact CE1-CD2 3.4Å; F97-F275 HydrophobicContact CE1-CD2 3.4Å; F97-F275 VanDerWaalsContact CE1-CD2 3.4Å; F97-F275 AromaticContact CE1-CE2 3.87Å; F97-F275 HydrophobicContact CE1-CE2 3.87Å; F97-F275 HydrophobicContact CE1-CG 4.4Å; F97-F275 AromaticContact CZ-CD2 3.8Å; F97-F275 HydrophobicContact CZ-CD2 3.8Å; W98-F275 AromaticContact CE2-CE2 3.99Å; W98-F275 HydrophobicContact CZ2-CD1 4.21Å; W98-F275 HydrophobicContact CZ2-CD2 4.07Å; W98-F275 AromaticContact CZ2-CE1 3.85Å; W98-F275 HydrophobicContact CZ2-CE1 3.85Å; W98-F275 AromaticContact CZ2-CE2 3.71Å; W98-F275 HydrophobicContact CZ2-CE2 3.71Å; W98-F275 HydrophobicContact CZ2-CG 4.31Å; W98-F275 AromaticContact CZ2-CZ 3.59Å; W98-F275 HydrophobicContact CZ2-CZ 3.59Å; W98-F275 AromaticContact NE1-CZ 3.93Å; V249-F275 HydrophobicContact CB-CB 4.19Å; V249-F275 HydrophobicContact CG2-CB 3.79Å; V249-F275 HydrophobicContact CG2-CG 4.4Å; V249-F275 PolarHBondContact N-O 3.08Å; S273-F275 PolarHBondContact O-N 3.44Å; F275-S277 PolarHBondContact O-N 3.41Å
276S97.8Very high98.2Very high30 Ų3026.3 Ų26.321%0.2113%0.129CC..BIsolated β-bridgetrans-46.7129.9176.9161.10000111Q274 E310Q274-S276 PolarHBondContact O-N 2.81Å; Q274-S276 VanDerWaalsContact O-N 3.17Å; S276-E310 WeakPolarHBondContact CB-OE1 3.33Å; S276-E310 PolarHBondContact OG-OE1 2.86Å
277S97.9Very high98.2Very high2 Ų221.6 Ų21.61%0.01411%0.108CC..  trans-90.8-17.1-179.856.80000113.5E248 V249 R254 F275 T279 E310E248-S277 WeakPolarHBondContact OE2-CA 3.03Å; V249-S277 WeakPolarHBondContact O-CB 3.33Å; V249-S277 PolarHBondContact O-OG 3.14Å; R254-S277 PolarHBondContact NH2-OG 2.95Å; R254-S277 VanDerWaalsContact NH2-OG 3.11Å; F275-S277 PolarHBondContact O-N 3.41Å; S277-T279 VanDerWaalsContact CB-OG1 3.32Å; S277-T279 WeakPolarHBondContact CB-OG1 3.07Å; S277-T279 PolarHBondContact O-N 3.46Å; S277-T279 VanDerWaalsContact O-N 3.11Å; S277-T279 PolarHBondContact OG-N 2.66Å; S277-T279 PolarHBondContact OG-OG1 3.03Å; S277-E310 PolarHBondContact N-OE1 3.29Å
278G96.7Very high98.2Very high0 Ų018.6 Ų18.60%09%0.094CC..SBendtrans67.28.2-171.300000114.3T281 E310 P312G278-T281 VanDerWaalsContact O-CG2 3.3Å; G278-T281 WeakPolarHBondContact O-CG2 3.49Å; G278-E310 PolarHBondContact N-OE1 3.48Å; G278-P312 WeakPolarHBondContact O-CD 3.49Å; G278-P312 WeakPolarHBondContact O-CG 3.47Å
279T97.6Very high98Very high1 Ų119.2 Ų19.21%0.00610%0.097CC..  trans-103.1149.5176.3550000109.7D137 D140 L141 I244 S251 S277D137-T279 VanDerWaalsContact OD1-CB 3.28Å; D137-T279 WeakPolarHBondContact OD1-CB 3.43Å; D137-T279 PolarHBondContact OD1-OG1 3.33Å; D140-T279 HydrophobicContact CB-CG2 4.21Å; L141-T279 HydrophobicContact CD2-CG2 3.79Å; L141-T279 HydrophobicContact CG-CG2 3.97Å; I244-T279 HydrophobicContact CD1-CG2 3.83Å; I244-T279 HydrophobicContact CG1-CG2 4.46Å; I244-T279 HydrophobicContact CG2-CG2 4.02Å; S251-T279 WeakPolarHBondContact CB-O 3.41Å; S277-T279 VanDerWaalsContact CB-OG1 3.32Å; S277-T279 WeakPolarHBondContact CB-OG1 3.07Å; S277-T279 PolarHBondContact O-N 3.46Å; S277-T279 VanDerWaalsContact O-N 3.11Å; S277-T279 PolarHBondContact OG-N 2.66Å; S277-T279 PolarHBondContact OG-OG1 3.03Å
280Y97.3Very high97.7Very high2 Ų224.4 Ų24.41%0.00812%0.119CC..SBendtrans57.259.7-170.8-155.7-178.7000111.4G136 D140 I218 T232 N282G136-Y280 VanDerWaalsContact C-CG 3.46Å; G136-Y280 VanDerWaalsContact CA-CD2 3.5Å; G136-Y280 VanDerWaalsContact CA-CG 3.45Å; D140-Y280 WeakPolarHBondContact OD2-CA 3.09Å; D140-Y280 PolarHBondContact OD2-N 2.93Å; I218-Y280 PolarHBondContact O-OH 2.95Å; T232-Y280 HydrophobicContact CG2-CD2 4.45Å; T232-Y280 WeakPolarHBondContact OG1-CE2 3.43Å; Y280-N282 VanDerWaalsContact CD2-ND2 3.27Å; Y280-N282 WeakPolarHBondContact CD2-ND2 3.37Å; Y280-N282 WeakPolarHBondContact CD2-OD1 3.23Å; Y280-N282 WeakPolarHBondContact CE2-ND2 3.19Å; Y280-N282 WeakPolarHBondContact CE2-OD1 3.44Å; Y280-N282 PolarHBondContact O-N 3.25Å; Y280-N282 PolarHBondContact O-ND2 3.01Å; Y280-N282 PolarHBondContact O-OD1 3.33Å
281T97.3Very high97.5Very high1 Ų121.2 Ų21.21%0.00611%0.11CC..  trans-66108.4-174.651.30000112.6D140 T232 I233 G234 N235 G278 E310 I311D140-T281 PolarHBondContact OD2-N 3.11Å; T232-T281 CarbonylContact C-O 3.57Å; T232-T281 WeakPolarHBondContact CA-O 3.2Å; T232-T281 WeakPolarHBondContact CG2-O 3.43Å; I233-T281 VanDerWaalsContact CG1-O 3.3Å; I233-T281 WeakPolarHBondContact CG1-O 3.45Å; I233-T281 PolarHBondContact N-O 2.98Å; G234-T281 WeakPolarHBondContact CA-OG1 3.39Å; G234-T281 PolarHBondContact N-O 3.45Å; G234-T281 PolarHBondContact N-OG1 2.96Å; N235-T281 HydrophobicContact CB-CG2 4.43Å; G278-T281 VanDerWaalsContact O-CG2 3.3Å; G278-T281 WeakPolarHBondContact O-CG2 3.49Å; T281-E310 WeakPolarHBondContact CA-O 3.47Å; T281-E310 VanDerWaalsContact CB-O 3.23Å; T281-E310 WeakPolarHBondContact CB-O 3.39Å; T281-I311 HydrophobicContact CG2-CB 4.4Å; T281-I311 HydrophobicContact CG2-CG2 4.34Å
282N98.4Very high97.2Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-131.9153.8-165.7-68.2-15.9000112.4E230 T232 Y280 E309 E310E230-N282 HydrophobicContact CB-CB 3.89Å; E230-N282 HydrophobicContact CG-CB 3.87Å; E230-N282 WeakPolarHBondContact CG-ND2 3.39Å; E230-N282 PolarHBondContact OE2-ND2 3.11Å; E230-N282 PolarHBondContact OE2-OD1 3.46Å; E230-N282 VanDerWaalsContact OE2-OD1 3.09Å; T232-N282 WeakPolarHBondContact CA-OD1 3.32Å; T232-N282 WeakPolarHBondContact CB-OD1 3.25Å; T232-N282 WeakPolarHBondContact CG2-OD1 3.43Å; T232-N282 PolarHBondContact OG1-OD1 3.12Å; T232-N282 VanDerWaalsContact OG1-OD1 3.11Å; Y280-N282 VanDerWaalsContact CD2-ND2 3.27Å; Y280-N282 WeakPolarHBondContact CD2-ND2 3.37Å; Y280-N282 WeakPolarHBondContact CD2-OD1 3.23Å; Y280-N282 WeakPolarHBondContact CE2-ND2 3.19Å; Y280-N282 WeakPolarHBondContact CE2-OD1 3.44Å; Y280-N282 PolarHBondContact O-N 3.25Å; Y280-N282 PolarHBondContact O-ND2 3.01Å; Y280-N282 PolarHBondContact O-OD1 3.33Å; N282-E309 WeakPolarHBondContact O-CA 3.48Å; N282-E310 PolarHBondContact O-N 2.92Å
283Q98.8Very high96.9Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-95.3103.7159.2179.3-172.294.100108.6E230 T231 I233 M285 V307 L308 E309 S332E230-Q283 CarbonylContact C-O 3.56Å; E230-Q283 WeakPolarHBondContact CA-O 3.43Å; E230-Q283 WeakPolarHBondContact CB-O 3.25Å; T231-Q283 PolarHBondContact N-O 3.02Å; T231-Q283 VanDerWaalsContact N-O 3.08Å; T231-Q283 PolarHBondContact O-N 3.43Å; I233-Q283 HydrophobicContact CG2-CB 3.76Å; Q283-M285 WeakPolarHBondContact O-CE 3.28Å; Q283-V307 HydrophobicContact CG-CG1 3.62Å; Q283-L308 CarbonylContact C-O 3.2Å; Q283-L308 WeakPolarHBondContact CA-O 3.36Å; Q283-E309 HydrophobicContact CB-CG 3.9Å; Q283-E309 HydrophobicContact CG-CG 3.85Å; Q283-E309 PolarHBondContact NE2-OE1 2.86Å; Q283-S332 PolarHBondContact OE1-OG 2.87Å
284W98.9Very high96.3Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-80.9138.5173.6-68.191.7000111.5D220 Y222 V228 T229 E230 V255 W268 F272 I286 V307 L308D220-W284 HydrophobicContact CB-CH2 3.89Å; D220-W284 HydrophobicContact CB-CZ3 3.97Å; D220-W284 WeakPolarHBondContact OD2-CH2 3.35Å; Y222-W284 HydrophobicContact CE2-CH2 4.36Å; Y222-W284 HydrophobicContact CE2-CZ3 4.19Å; V228-W284 HydrophobicContact CG1-CE3 3.63Å; V228-W284 HydrophobicContact CG1-CZ3 3.81Å; T229-W284 WeakPolarHBondContact O-CA 3.16Å; E230-W284 HydrophobicContact CB-CD2 3.72Å; E230-W284 HydrophobicContact CB-CE3 3.77Å; E230-W284 HydrophobicContact CB-CG 4.11Å; E230-W284 HydrophobicContact CB-CH2 4.46Å; E230-W284 HydrophobicContact CB-CZ2 4.46Å; E230-W284 HydrophobicContact CB-CZ3 4.15Å; E230-W284 HydrophobicContact CG-CD2 3.99Å; E230-W284 HydrophobicContact CG-CE3 3.93Å; E230-W284 HydrophobicContact CG-CH2 3.72Å; E230-W284 HydrophobicContact CG-CZ2 3.82Å; E230-W284 HydrophobicContact CG-CZ3 3.8Å; V255-W284 HydrophobicContact CB-CH2 3.94Å; V255-W284 HydrophobicContact CB-CZ2 4.22Å; V255-W284 HydrophobicContact CG2-CH2 3.24Å; V255-W284 HydrophobicContact CG2-CZ2 3.97Å; V255-W284 HydrophobicContact CG2-CZ3 3.64Å; W268-W284 HydrophobicContact CH2-CB 4.02Å; W268-W284 AromaticContact CH2-CD2 3.4Å; W268-W284 HydrophobicContact CH2-CD2 3.4Å; W268-W284 AromaticContact CH2-CE3 3.5Å; W268-W284 HydrophobicContact CH2-CE3 3.5Å; W268-W284 AromaticContact CH2-CG 3.64Å; W268-W284 HydrophobicContact CH2-CG 3.64Å; W268-W284 HydrophobicContact CH2-CZ3 4.2Å; W268-W284 HydrophobicContact CZ2-CD2 4.21Å; W268-W284 AromaticContact CZ2-CE3 3.87Å; W268-W284 HydrophobicContact CZ2-CE3 3.87Å; W268-W284 HydrophobicContact CZ2-CZ3 4.21Å; W268-W284 HydrophobicContact CZ3-CB 3.85Å; W268-W284 HydrophobicContact CZ3-CD2 4.15Å; W268-W284 HydrophobicContact CZ3-CE3 4.43Å; W268-W284 AromaticContact CZ3-CG 3.89Å; W268-W284 HydrophobicContact CZ3-CG 3.89Å; F272-W284 AromaticContact CE1-CD1 3.59Å; F272-W284 AromaticContact CE1-NE1 3.26Å; F272-W284 VanDerWaalsContact CE1-NE1 3.26Å; F272-W284 AromaticContact CE2-CE2 3.93Å; F272-W284 AromaticContact CE2-CZ2 3.95Å; F272-W284 HydrophobicContact CE2-CZ2 3.95Å; F272-W284 AromaticContact CE2-NE1 3.88Å; F272-W284 AromaticContact CZ-CD1 3.92Å; F272-W284 AromaticContact CZ-CE2 3.61Å; F272-W284 AromaticContact CZ-CZ2 3.93Å; F272-W284 HydrophobicContact CZ-CZ2 3.93Å; F272-W284 AromaticContact CZ-NE1 3.1Å; W284-I286 HydrophobicContact CB-CD1 4.09Å; W284-V307 CarbonylContact O-C 3.48Å; W284-V307 VanDerWaalsContact O-CA 3.25Å; W284-V307 WeakPolarHBondContact O-CA 3.1Å; W284-L308 HydrophobicContact CB-CB 4.28Å; W284-L308 HydrophobicContact CB-CD2 4.49Å; W284-L308 HydrophobicContact CG-CD2 4.43Å; W284-L308 PolarHBondContact N-O 3.16Å; W284-L308 PolarHBondContact O-N 3.38Å
285M98.9Very high95.8Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-126.6122.8178.8-69.8154.5-77.300108.5A160 I162 V228 T229 T231 Q283 F305 V307 W330 S332A160-M285 HydrophobicContact CB-CE 3.68Å; A160-M285 HydrophobicContact CB-SD 3.86Å; I162-M285 HydrophobicContact CD1-CB 4.12Å; I162-M285 HydrophobicContact CD1-CG 4.13Å; I162-M285 HydrophobicContact CD1-SD 3.55Å; I162-M285 VanDerWaalsContact CD1-SD 3.55Å; V228-M285 WeakPolarHBondContact CA-O 3.38Å; T229-M285 HydrophobicContact CG2-CB 4.13Å; T229-M285 HydrophobicContact CG2-CE 3.76Å; T229-M285 HydrophobicContact CG2-SD 4.36Å; T229-M285 PolarHBondContact N-O 2.93Å; T229-M285 VanDerWaalsContact N-O 3.09Å; T229-M285 PolarHBondContact O-N 2.98Å; T231-M285 HydrophobicContact CG2-CE 4.24Å; Q283-M285 WeakPolarHBondContact O-CE 3.28Å; M285-F305 HydrophobicContact CB-CE2 3.93Å; M285-F305 HydrophobicContact CB-CZ 4.32Å; M285-F305 HydrophobicContact CG-CE2 4.23Å; M285-F305 HydrophobicContact CG-CZ 4.1Å; M285-V307 HydrophobicContact CG-CG2 4.3Å; M285-W330 VanDerWaalsContact SD-CD1 3.59Å; M285-W330 PolarHBondContact SD-NE1 3.22Å; M285-W330 VanDerWaalsContact SD-NE1 3.45Å; M285-S332 WeakPolarHBondContact SD-CB 3.44Å
286I98.8Very high95.2Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-125.3117.9-174.3-52.390.2000109.1A226 A227 V228 A265 W268 T269 W284 F305 Y306A226-I286 HydrophobicContact CB-CG2 4.19Å; A227-I286 WeakPolarHBondContact O-CA 3.49Å; V228-I286 HydrophobicContact CG1-CG1 4.28Å; V228-I286 HydrophobicContact CG2-CG1 4.22Å; V228-I286 HydrophobicContact CG2-CG2 4Å; A265-I286 HydrophobicContact CB-CB 4.1Å; A265-I286 HydrophobicContact CB-CG2 3.6Å; W268-I286 HydrophobicContact CB-CG1 4.5Å; W268-I286 HydrophobicContact CB-CG2 4.4Å; W268-I286 HydrophobicContact CD2-CD1 4.22Å; W268-I286 HydrophobicContact CD2-CG1 3.79Å; W268-I286 HydrophobicContact CE3-CD1 3.5Å; W268-I286 VanDerWaalsContact CE3-CD1 3.5Å; W268-I286 HydrophobicContact CE3-CG1 3.61Å; W268-I286 HydrophobicContact CG-CG1 4.17Å; W268-I286 HydrophobicContact CZ3-CD1 3.82Å; W268-I286 HydrophobicContact CZ3-CG1 4.2Å; T269-I286 HydrophobicContact CG2-CD1 4.05Å; W284-I286 HydrophobicContact CB-CD1 4.09Å; I286-F305 WeakPolarHBondContact O-CA 3.37Å; I286-Y306 PolarHBondContact N-O 2.95Å; I286-Y306 PolarHBondContact O-N 3.41Å
287V98.4Very high94.7Very high1 Ų126.4 Ų26.41%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-105.2114.8172.3175.40000109.3I162 V171 F173 A226 A227 Y289 V304 F305I162-V287 HydrophobicContact CG2-CG2 3.79Å; V171-V287 HydrophobicContact CB-CG1 4.49Å; V171-V287 HydrophobicContact CG1-CG1 4.11Å; V171-V287 HydrophobicContact CG1-CG2 4.42Å; F173-V287 HydrophobicContact CD2-CB 4.14Å; F173-V287 HydrophobicContact CD2-CG2 3.6Å; F173-V287 HydrophobicContact CE2-CB 4.37Å; F173-V287 HydrophobicContact CE2-CG2 3.87Å; A226-V287 CarbonylContact C-O 3.56Å; A226-V287 VanDerWaalsContact CA-O 3.31Å; A226-V287 WeakPolarHBondContact CA-O 3.17Å; A226-V287 WeakPolarHBondContact CB-O 3.24Å; A227-V287 PolarHBondContact N-O 3.42Å; A227-V287 PolarHBondContact O-N 2.91Å; V287-Y289 HydrophobicContact CB-CD2 4.5Å; V287-Y289 HydrophobicContact CB-CE2 4.29Å; V287-Y289 HydrophobicContact CG1-CD2 3.94Å; V287-Y289 HydrophobicContact CG1-CE2 3.88Å; V287-Y289 HydrophobicContact CG1-CG 4.39Å; V287-Y289 PolarHBondContact O-N 3.18Å; V287-V304 CarbonylContact C-O 3.21Å; V287-V304 WeakPolarHBondContact CA-O 3.49Å; V287-V304 HydrophobicContact CG1-CG1 4.49Å; V287-F305 HydrophobicContact CG2-CD2 3.76Å; V287-F305 HydrophobicContact CG2-CE2 4.32Å
288D97Very high94.1Very high6 Ų634.4 Ų34.43%0.03219%0.185CC..  trans-82.396.9169.2-166-19.2000110.1T264 A265 K290 A291 V292 V304T264-D288 WeakPolarHBondContact CA-OD2 3.4Å; A265-D288 HydrophobicContact CB-CB 4.08Å; D288-K290 VanDerWaalsContact CG-NZ 3.31Å; D288-K290 PolarHBondContact O-N 3.32Å; D288-K290 VanDerWaalsContact O-N 3.13Å; D288-K290 VanDerWaalsContact OD1-CB 3.24Å; D288-K290 WeakPolarHBondContact OD1-CB 3.48Å; D288-K290 WeakPolarHBondContact OD1-CE 3.26Å; D288-K290 PolarHBondContact OD1-N 3.31Å; D288-K290 IonicContact OD1-NZ 3.5Å; D288-K290 PolarHBondContact OD1-NZ 3.17Å; D288-K290 IonicContact OD2-NZ 3.53Å; D288-K290 PolarHBondContact OD2-NZ 2.92Å; D288-A291 HydrophobicContact CB-CB 4.1Å; D288-A291 PolarHBondContact O-N 3.03Å; D288-V292 PolarHBondContact O-N 2.92Å; D288-V304 PolarHBondContact N-O 3.39Å
289Y95Very high93.8Very high18 Ų1835.5 Ų35.57%0.07119%0.19CC..THydrogen-bonded Turntrans-62.1-19.1178.6-84.8-84.3000113.7V171 F173 A227 V287 A291 V292 T442 I444 M447V171-Y289 HydrophobicContact CB-CE1 4.1Å; V171-Y289 WeakPolarHBondContact O-CE1 3.23Å; V171-Y289 PolarHBondContact O-OH 2.91Å; F173-Y289 WeakPolarHBondContact CB-OH 3.39Å; A227-Y289 HydrophobicContact CB-CD2 4.1Å; A227-Y289 HydrophobicContact CB-CE2 3.59Å; V287-Y289 HydrophobicContact CB-CD2 4.5Å; V287-Y289 HydrophobicContact CB-CE2 4.29Å; V287-Y289 HydrophobicContact CG1-CD2 3.94Å; V287-Y289 HydrophobicContact CG1-CE2 3.88Å; V287-Y289 HydrophobicContact CG1-CG 4.39Å; V287-Y289 PolarHBondContact O-N 3.18Å; Y289-A291 VanDerWaalsContact C-N 3.3Å; Y289-V292 HydrophobicContact CD1-CG2 4.3Å; Y289-T442 HydrophobicContact CE2-CG2 4.38Å; Y289-I444 HydrophobicContact CD1-CB 4.05Å; Y289-I444 HydrophobicContact CD1-CG1 4.07Å; Y289-I444 HydrophobicContact CE1-CB 4.17Å; Y289-M447 HydrophobicContact CD1-CG 4.29Å; Y289-M447 HydrophobicContact CD2-CB 4.39Å; Y289-M447 HydrophobicContact CD2-CE 3.77Å; Y289-M447 HydrophobicContact CD2-CG 3.65Å; Y289-M447 HydrophobicContact CD2-SD 4.24Å; Y289-M447 HydrophobicContact CE1-CG 4.18Å; Y289-M447 HydrophobicContact CE2-CE 4.19Å; Y289-M447 HydrophobicContact CE2-CG 3.51Å; Y289-M447 HydrophobicContact CE2-SD 4.11Å; Y289-M447 HydrophobicContact CG-CB 4.33Å; Y289-M447 HydrophobicContact CG-CG 4.02Å
290K93.3Very high93.5Very high118 Ų11839.5 Ų39.551%0.51321%0.211SC..THydrogen-bonded Turntrans-75-24.3175.1-53.1179.1-60-58.30111.9S225 K263 D288S225-K290 PolarHBondContact O-NZ 2.84Å; S225-K290 PolarHBondContact OG-NZ 3.14Å; K263-K290 VanDerWaalsContact O-CE 3.23Å; K263-K290 WeakPolarHBondContact O-CE 3.39Å; K263-K290 PolarHBondContact O-NZ 3.48Å; D288-K290 VanDerWaalsContact CG-NZ 3.31Å; D288-K290 PolarHBondContact O-N 3.32Å; D288-K290 VanDerWaalsContact O-N 3.13Å; D288-K290 VanDerWaalsContact OD1-CB 3.24Å; D288-K290 WeakPolarHBondContact OD1-CB 3.48Å; D288-K290 WeakPolarHBondContact OD1-CE 3.26Å; D288-K290 PolarHBondContact OD1-N 3.31Å; D288-K290 IonicContact OD1-NZ 3.5Å; D288-K290 PolarHBondContact OD1-NZ 3.17Å; D288-K290 IonicContact OD2-NZ 3.53Å; D288-K290 PolarHBondContact OD2-NZ 2.92Å
291A93.8Very high93.4Very high32 Ų3242.9 Ų42.926%0.26422%0.224SC..THydrogen-bonded Turntrans-91.8-9.5179.500000112.9D288 Y289 N303 V304D288-A291 HydrophobicContact CB-CB 4.1Å; D288-A291 PolarHBondContact O-N 3.03Å; Y289-A291 VanDerWaalsContact C-N 3.3Å; A291-N303 WeakPolarHBondContact CB-O 3.33Å; A291-V304 HydrophobicContact CB-CG2 3.95Å; A291-V304 VanDerWaalsContact O-CG2 3.27Å; A291-V304 WeakPolarHBondContact O-CG2 3.28Å
292V92.9Very high93.3Very high14 Ų1447.3 Ų47.39%0.08525%0.245CC..SBendtrans-59.5121.5178.4174.40000109.4V171 D288 Y289 T294 V304V171-V292 HydrophobicContact CG2-CG1 4.01Å; V171-V292 HydrophobicContact CG2-CG2 3.71Å; D288-V292 PolarHBondContact O-N 2.92Å; Y289-V292 HydrophobicContact CD1-CG2 4.3Å; V292-T294 PolarHBondContact O-N 3.39Å; V292-V304 HydrophobicContact CG2-CG1 3.9Å
293P90.7Very high93.2Very high17 Ų1750.7 Ų50.711%0.1126%0.263CS..  trans-69.3129.7-171.128-36.5000111.1L296 F299 Y325P293-L296 HydrophobicContact CB-CD2 4.23Å; P293-L296 HydrophobicContact CG-CD2 3.56Å; P293-F299 HydrophobicContact CB-CB 4.06Å; P293-F299 HydrophobicContact CB-CD1 4.29Å; P293-F299 HydrophobicContact CB-CD2 3.84Å; P293-F299 HydrophobicContact CB-CE2 4.33Å; P293-F299 HydrophobicContact CB-CG 3.81Å; P293-F299 HydrophobicContact CG-CB 4.38Å; P293-F299 HydrophobicContact CG-CD1 3.72Å; P293-F299 HydrophobicContact CG-CD2 3.97Å; P293-F299 HydrophobicContact CG-CE1 3.86Å; P293-F299 HydrophobicContact CG-CE2 4.12Å; P293-F299 HydrophobicContact CG-CG 3.76Å; P293-F299 HydrophobicContact CG-CZ 4.04Å; P293-Y325 WeakPolarHBondContact CD-OH 3.38Å
294T87.1Confident93.1Very high108 Ų10850.9 Ų50.966%0.66326%0.264SS*.SBendtrans-78.4-12.5166.257.10000112.2R169 V292R169-T294 VanDerWaalsContact CD-O 3.25Å; R169-T294 WeakPolarHBondContact CD-O 3.25Å; R169-T294 PolarHBondContact NE-O 3.47Å; R169-T294 PolarHBondContact NH1-O 3.31Å; V292-T294 PolarHBondContact O-N 3.39Å
295D86.3Confident93.1Very high78 Ų7850.9 Ų50.942%0.41726%0.264SS..  trans-144.7124.2176.6-173.7-8.1000109.6T297D295-T297 WeakPolarHBondContact OD1-CB 3.33Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.49Å; D295-T297 PolarHBondContact OD1-N 3.02Å; D295-T297 PolarHBondContact OD1-OG1 2.94Å; D295-T297 PolarHBondContact OD2-OG1 3.05Å
296L86.1Confident93.1Very high54 Ų5451.8 Ų51.828%0.28327%0.268SS..SBendtrans-85-13.8-178.6-64.9174.7000113.2L166 P293 H298 F299 Y325L166-L296 HydrophobicContact CB-CD1 4.01Å; L166-L296 HydrophobicContact CD2-CD1 3.88Å; L166-L296 HydrophobicContact CD2-CD2 4.48Å; L166-L296 HydrophobicContact CG-CD1 4.41Å; P293-L296 HydrophobicContact CB-CD2 4.23Å; P293-L296 HydrophobicContact CG-CD2 3.56Å; L296-H298 PolarHBondContact O-N 3.13Å; L296-F299 HydrophobicContact CD2-CB 4.43Å; L296-F299 HydrophobicContact CD2-CD1 3.98Å; L296-F299 PolarHBondContact O-N 2.97Å; L296-Y325 HydrophobicContact CD2-CE1 4.04Å
297T86.9Confident93.1Very high102 Ų10251.8 Ų51.863%0.62627%0.268SS*.THydrogen-bonded Turntrans-63.9-28.9-176.357.80000113.1D295D295-T297 WeakPolarHBondContact OD1-CB 3.33Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.49Å; D295-T297 PolarHBondContact OD1-N 3.02Å; D295-T297 PolarHBondContact OD1-OG1 2.94Å; D295-T297 PolarHBondContact OD2-OG1 3.05Å
298H85.2Confident93.1Very high170 Ų17051.8 Ų51.879%0.78727%0.267SS*.THydrogen-bonded Turntrans-122.814.8-179.3-62-56.9000113.1L296 D300L296-H298 PolarHBondContact O-N 3.13Å; H298-D300 PolarHBondContact O-N 2.78Å
299F91.2Very high93.2Very high24 Ų2451.5 Ų51.511%0.10527%0.266CS..  trans-73.7125.3177.7-178.3-136.6000110.1P293 L296 Y301 V304 T321 Y325P293-F299 HydrophobicContact CB-CB 4.06Å; P293-F299 HydrophobicContact CB-CD1 4.29Å; P293-F299 HydrophobicContact CB-CD2 3.84Å; P293-F299 HydrophobicContact CB-CE2 4.33Å; P293-F299 HydrophobicContact CB-CG 3.81Å; P293-F299 HydrophobicContact CG-CB 4.38Å; P293-F299 HydrophobicContact CG-CD1 3.72Å; P293-F299 HydrophobicContact CG-CD2 3.97Å; P293-F299 HydrophobicContact CG-CE1 3.86Å; P293-F299 HydrophobicContact CG-CE2 4.12Å; P293-F299 HydrophobicContact CG-CG 3.76Å; P293-F299 HydrophobicContact CG-CZ 4.04Å; L296-F299 HydrophobicContact CD2-CB 4.43Å; L296-F299 HydrophobicContact CD2-CD1 3.98Å; L296-F299 PolarHBondContact O-N 2.97Å; F299-Y301 AromaticContact CD1-CD1 3.71Å; F299-Y301 HydrophobicContact CD1-CD1 3.71Å; F299-Y301 HydrophobicContact CD1-CD2 4.23Å; F299-Y301 AromaticContact CD1-CE1 3.88Å; F299-Y301 HydrophobicContact CD1-CE1 3.88Å; F299-Y301 HydrophobicContact CD1-CE2 4.37Å; F299-Y301 AromaticContact CD1-CG 3.9Å; F299-Y301 HydrophobicContact CD1-CG 3.9Å; F299-Y301 AromaticContact CE1-CD1 3.71Å; F299-Y301 HydrophobicContact CE1-CD1 3.71Å; F299-Y301 HydrophobicContact CE1-CE1 4.22Å; F299-Y301 HydrophobicContact CE1-CG 4.03Å; F299-Y301 WeakPolarHBondContact O-CD2 3.22Å; F299-Y301 VanDerWaalsContact O-CE2 3.25Å; F299-Y301 WeakPolarHBondContact O-CE2 3.38Å; F299-Y301 PolarHBondContact O-N 3.08Å; F299-V304 HydrophobicContact CE2-CG2 3.83Å; F299-V304 HydrophobicContact CZ-CG2 3.53Å; F299-T321 HydrophobicContact CE1-CG2 4.12Å; F299-T321 HydrophobicContact CZ-CG2 3.54Å; F299-Y325 HydrophobicContact CD1-CE1 4.34Å; F299-Y325 HydrophobicContact CE1-CD1 4.11Å; F299-Y325 HydrophobicContact CE1-CD2 4.02Å; F299-Y325 AromaticContact CE1-CE1 3.82Å; F299-Y325 HydrophobicContact CE1-CE1 3.82Å; F299-Y325 AromaticContact CE1-CE2 3.71Å; F299-Y325 HydrophobicContact CE1-CE2 3.71Å; F299-Y325 HydrophobicContact CE1-CG 4.22Å; F299-Y325 AromaticContact CE1-CZ 3.61Å; F299-Y325 HydrophobicContact CZ-CE2 4.1Å
300D92.1Very high93.4Very high85 Ų8550.6 Ų50.646%0.45526%0.262SS..  trans-76.8-11.6-179.2556.9000113.4H298 E302 R322H298-D300 PolarHBondContact O-N 2.78Å; D300-E302 PolarHBondContact OD1-N 3.37Å; D300-E302 VanDerWaalsContact OD1-N 3.12Å; D300-R322 PolarHBondContact O-NH2 3.43Å
301Y93.7Very high93.6Very high72 Ų7245.1 Ų45.128%0.28224%0.239SC..SBendtrans64.742.5-174.8-58.9-95.9000112.7F299 T321 R322 Y325F299-Y301 AromaticContact CD1-CD1 3.71Å; F299-Y301 HydrophobicContact CD1-CD1 3.71Å; F299-Y301 HydrophobicContact CD1-CD2 4.23Å; F299-Y301 AromaticContact CD1-CE1 3.88Å; F299-Y301 HydrophobicContact CD1-CE1 3.88Å; F299-Y301 HydrophobicContact CD1-CE2 4.37Å; F299-Y301 AromaticContact CD1-CG 3.9Å; F299-Y301 HydrophobicContact CD1-CG 3.9Å; F299-Y301 AromaticContact CE1-CD1 3.71Å; F299-Y301 HydrophobicContact CE1-CD1 3.71Å; F299-Y301 HydrophobicContact CE1-CE1 4.22Å; F299-Y301 HydrophobicContact CE1-CG 4.03Å; F299-Y301 WeakPolarHBondContact O-CD2 3.22Å; F299-Y301 VanDerWaalsContact O-CE2 3.25Å; F299-Y301 WeakPolarHBondContact O-CE2 3.38Å; F299-Y301 PolarHBondContact O-N 3.08Å; Y301-T321 VanDerWaalsContact O-CB 3.29Å; Y301-T321 WeakPolarHBondContact O-CB 3.22Å; Y301-T321 WeakPolarHBondContact O-CG2 3.36Å; Y301-R322 PolarHBondContact O-N 2.77Å; Y301-Y325 HydrophobicContact CD1-CD1 4.15Å; Y301-Y325 HydrophobicContact CD1-CD2 4.46Å; Y301-Y325 AromaticContact CD1-CG 3.83Å; Y301-Y325 HydrophobicContact CD1-CG 3.83Å; Y301-Y325 AromaticContact CE1-CD1 3.91Å; Y301-Y325 HydrophobicContact CE1-CD1 3.91Å; Y301-Y325 AromaticContact CE1-CG 4Å; Y301-Y325 HydrophobicContact CE1-CG 4Å
302E96.7Very high93.8Very high94 Ų9443.8 Ų43.844%0.43923%0.227SC..  trans-132.2163.6176.6-60-174.5177.200111.7D300 V304D300-E302 PolarHBondContact OD1-N 3.37Å; D300-E302 VanDerWaalsContact OD1-N 3.12Å; E302-V304 VanDerWaalsContact C-N 3.27Å; E302-V304 PolarHBondContact O-N 3.16Å; E302-V304 VanDerWaalsContact O-N 3.11Å
303N96.6Very high94Very high72 Ų7246 Ų4639%0.38525%0.252SS..SBendtrans69.11.8167.5-57.4-63.4000118.2A291 Y306 D319 T321A291-N303 WeakPolarHBondContact CB-O 3.33Å; N303-Y306 PolarHBondContact OD1-OH 2.94Å; N303-D319 WeakPolarHBondContact CA-OD2 3.31Å; N303-D319 PolarHBondContact N-OD2 3.38Å; N303-T321 PolarHBondContact N-OG1 3.07Å
304V96.5Very high94.3Very high3 Ų349.1 Ų49.12%0.01826%0.264CS..SBendtrans-89.8-43.1179.7-179.30000112.2V287 D288 A291 V292 F299 E302 T321V287-V304 CarbonylContact C-O 3.21Å; V287-V304 WeakPolarHBondContact CA-O 3.49Å; V287-V304 HydrophobicContact CG1-CG1 4.49Å; D288-V304 PolarHBondContact N-O 3.39Å; A291-V304 HydrophobicContact CB-CG2 3.95Å; A291-V304 VanDerWaalsContact O-CG2 3.27Å; A291-V304 WeakPolarHBondContact O-CG2 3.28Å; V292-V304 HydrophobicContact CG2-CG1 3.9Å; F299-V304 HydrophobicContact CE2-CG2 3.83Å; F299-V304 HydrophobicContact CZ-CG2 3.53Å; E302-V304 VanDerWaalsContact C-N 3.27Å; E302-V304 PolarHBondContact O-N 3.16Å; E302-V304 VanDerWaalsContact O-N 3.11Å; V304-T321 HydrophobicContact CB-CG2 3.77Å; V304-T321 HydrophobicContact CG2-CG2 4Å; V304-T321 PolarHBondContact N-OG1 3.02Å
305F98.3Very high94.9Very high1 Ų146 Ų460%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-132.5116.4-168.8-179.1-119.4000111.8I162 M285 I286 V287 V307 L320 T321 I324 W330I162-F305 HydrophobicContact CD1-CE2 4.17Å; I162-F305 HydrophobicContact CD1-CZ 4.33Å; I162-F305 HydrophobicContact CG1-CE2 4.33Å; M285-F305 HydrophobicContact CB-CE2 3.93Å; M285-F305 HydrophobicContact CB-CZ 4.32Å; M285-F305 HydrophobicContact CG-CE2 4.23Å; M285-F305 HydrophobicContact CG-CZ 4.1Å; I286-F305 WeakPolarHBondContact O-CA 3.37Å; V287-F305 HydrophobicContact CG2-CD2 3.76Å; V287-F305 HydrophobicContact CG2-CE2 4.32Å; F305-V307 HydrophobicContact CD1-CG2 4.36Å; F305-V307 HydrophobicContact CE1-CG2 3.48Å; F305-V307 VanDerWaalsContact CE1-CG2 3.48Å; F305-V307 HydrophobicContact CE2-CG2 4.18Å; F305-V307 HydrophobicContact CZ-CG2 3.38Å; F305-L320 HydrophobicContact CD1-CB 3.87Å; F305-L320 HydrophobicContact CE1-CB 4.08Å; F305-L320 PolarHBondContact O-N 3.05Å; F305-T321 PolarHBondContact N-OG1 3.37Å; F305-T321 PolarHBondContact O-N 3.38Å; F305-I324 HydrophobicContact CB-CG2 4.07Å; F305-I324 HydrophobicContact CD1-CB 3.94Å; F305-I324 HydrophobicContact CD1-CD1 4.08Å; F305-I324 HydrophobicContact CD1-CG2 3.89Å; F305-I324 HydrophobicContact CE1-CB 4.37Å; F305-I324 HydrophobicContact CE1-CD1 4.21Å; F305-I324 HydrophobicContact CG-CD1 4.29Å; F305-I324 HydrophobicContact CG-CG2 4.23Å; F305-W330 HydrophobicContact CE1-CB 3.99Å; F305-W330 AromaticContact CE1-CD2 3.64Å; F305-W330 HydrophobicContact CE1-CD2 3.64Å; F305-W330 AromaticContact CE1-CE3 3.8Å; F305-W330 HydrophobicContact CE1-CE3 3.8Å; F305-W330 AromaticContact CE1-CG 3.75Å; F305-W330 HydrophobicContact CE1-CG 3.75Å; F305-W330 HydrophobicContact CE1-CZ3 4.49Å; F305-W330 HydrophobicContact CZ-CB 3.91Å; F305-W330 AromaticContact CZ-CD1 3.71Å; F305-W330 AromaticContact CZ-CD2 3.73Å; F305-W330 HydrophobicContact CZ-CD2 3.73Å; F305-W330 HydrophobicContact CZ-CE3 4.37Å; F305-W330 AromaticContact CZ-CG 3.5Å; F305-W330 HydrophobicContact CZ-CG 3.5Å
306Y98.8Very high95.4Very high19 Ų1943.5 Ų43.58%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-113.2145.2174.8-81.2-108.9000110.7A265 K266 T269 I286 N303 E318 D319A265-Y306 HydrophobicContact CB-CD2 3.48Å; A265-Y306 VanDerWaalsContact CB-CD2 3.48Å; A265-Y306 HydrophobicContact CB-CE2 4.23Å; A265-Y306 HydrophobicContact CB-CG 4.07Å; K266-Y306 HydrophobicContact CB-CD1 4.47Å; K266-Y306 HydrophobicContact CB-CE1 3.76Å; K266-Y306 HydrophobicContact CB-CE2 4.1Å; K266-Y306 HydrophobicContact CG-CE1 3.84Å; T269-Y306 HydrophobicContact CG2-CD1 4.12Å; T269-Y306 HydrophobicContact CG2-CG 4.39Å; I286-Y306 PolarHBondContact N-O 2.95Å; I286-Y306 PolarHBondContact O-N 3.41Å; N303-Y306 PolarHBondContact OD1-OH 2.94Å; Y306-E318 WeakPolarHBondContact CA-O 3.43Å; Y306-D319 HydrophobicContact CD1-CB 4.35Å; Y306-D319 HydrophobicContact CD2-CB 4.49Å; Y306-D319 HydrophobicContact CE1-CB 3.8Å; Y306-D319 HydrophobicContact CE2-CB 3.96Å; Y306-D319 WeakPolarHBondContact CE2-OD2 3.47Å; Y306-D319 PolarHBondContact OH-OD2 3.28Å
307V98.9Very high96Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-122.6134.3170.6176.70000109.2Q283 W284 M285 F305 A317 E318 L320 W330 F338Q283-V307 HydrophobicContact CG-CG1 3.62Å; W284-V307 CarbonylContact O-C 3.48Å; W284-V307 VanDerWaalsContact O-CA 3.25Å; W284-V307 WeakPolarHBondContact O-CA 3.1Å; M285-V307 HydrophobicContact CG-CG2 4.3Å; F305-V307 HydrophobicContact CD1-CG2 4.36Å; F305-V307 HydrophobicContact CE1-CG2 3.48Å; F305-V307 VanDerWaalsContact CE1-CG2 3.48Å; F305-V307 HydrophobicContact CE2-CG2 4.18Å; F305-V307 HydrophobicContact CZ-CG2 3.38Å; V307-A317 CarbonylContact O-C 3.52Å; V307-A317 VanDerWaalsContact O-CA 3.27Å; V307-A317 WeakPolarHBondContact O-CA 3.18Å; V307-E318 PolarHBondContact N-O 3.24Å; V307-E318 PolarHBondContact O-N 2.99Å; V307-L320 HydrophobicContact CB-CD1 3.73Å; V307-L320 HydrophobicContact CB-CG 4.36Å; V307-L320 HydrophobicContact CG1-CD1 4.44Å; V307-L320 HydrophobicContact CG2-CD1 3.71Å; V307-L320 HydrophobicContact CG2-CG 4.38Å; V307-W330 HydrophobicContact CB-CZ2 4.39Å; V307-W330 HydrophobicContact CG1-CH2 4.43Å; V307-W330 HydrophobicContact CG1-CZ2 3.98Å; V307-W330 HydrophobicContact CG2-CD2 4.49Å; V307-W330 HydrophobicContact CG2-CH2 4.05Å; V307-W330 HydrophobicContact CG2-CZ2 3.7Å; V307-F338 HydrophobicContact CB-CZ 4.31Å; V307-F338 HydrophobicContact CG1-CE2 4Å; V307-F338 HydrophobicContact CG1-CZ 4.2Å
308L98.9Very high96.6Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-126.1135.8173.6174.6157.5000109.5T269 F272 S273 Q283 W284 E310 V315 V316 A317T269-L308 HydrophobicContact CG2-CB 4.04Å; T269-L308 HydrophobicContact CG2-CD1 4.27Å; F272-L308 HydrophobicContact CD1-CD1 3.98Å; F272-L308 HydrophobicContact CD1-CD2 3.68Å; F272-L308 HydrophobicContact CE1-CD2 3.83Å; S273-L308 WeakPolarHBondContact OG-CD1 3.09Å; Q283-L308 CarbonylContact C-O 3.2Å; Q283-L308 WeakPolarHBondContact CA-O 3.36Å; W284-L308 HydrophobicContact CB-CB 4.28Å; W284-L308 HydrophobicContact CB-CD2 4.49Å; W284-L308 HydrophobicContact CG-CD2 4.43Å; W284-L308 PolarHBondContact N-O 3.16Å; W284-L308 PolarHBondContact O-N 3.38Å; L308-E310 HydrophobicContact CD2-CB 4.3Å; L308-V315 HydrophobicContact CD1-CG1 3.86Å; L308-V315 HydrophobicContact CD2-CG1 4.05Å; L308-V315 HydrophobicContact CG-CG1 3.82Å; L308-V316 CarbonylContact C-O 3.4Å; L308-V316 VanDerWaalsContact CA-O 3.25Å; L308-V316 WeakPolarHBondContact CA-O 3.38Å; L308-A317 HydrophobicContact CB-CB 3.93Å; L308-A317 HydrophobicContact CD1-CB 4.07Å; L308-A317 HydrophobicContact CG-CB 4.09Å
309E98.9Very high97.2Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-122.8136.6172.1-65.6-177.1162.500110.4I233 N282 Q283 V315 V316 P336 Y337 F338 I341I233-E309 HydrophobicContact CD1-CB 4.18Å; N282-E309 WeakPolarHBondContact O-CA 3.48Å; Q283-E309 HydrophobicContact CB-CG 3.9Å; Q283-E309 HydrophobicContact CG-CG 3.85Å; Q283-E309 PolarHBondContact NE2-OE1 2.86Å; E309-V315 WeakPolarHBondContact O-CA 3.35Å; E309-V316 PolarHBondContact N-O 3.48Å; E309-V316 PolarHBondContact O-N 3.46Å; E309-P336 VanDerWaalsContact OE1-CA 3.3Å; E309-P336 WeakPolarHBondContact OE1-CA 3.43Å; E309-P336 WeakPolarHBondContact OE2-CB 3.38Å; E309-Y337 WeakPolarHBondContact OE1-CB 3.4Å; E309-Y337 PolarHBondContact OE1-N 3.09Å; E309-Y337 PolarHBondContact OE2-N 3.18Å; E309-F338 HydrophobicContact CB-CD2 3.87Å; E309-F338 HydrophobicContact CB-CE2 4.36Å; E309-F338 VanDerWaalsContact CD-CD2 3.48Å; E309-F338 HydrophobicContact CG-CD2 3.63Å; E309-F338 HydrophobicContact CG-CE2 3.97Å; E309-F338 WeakPolarHBondContact OE2-CB 3.34Å; E309-F338 VanDerWaalsContact OE2-CD2 3.24Å; E309-F338 WeakPolarHBondContact OE2-CD2 3.03Å; E309-F338 PolarHBondContact OE2-N 2.85Å; E309-I341 HydrophobicContact CB-CB 4.43Å; E309-I341 HydrophobicContact CB-CD1 4.45Å; E309-I341 HydrophobicContact CB-CG1 3.91Å; E309-I341 HydrophobicContact CB-CG2 4.21Å
310E98.4Very high97.6Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-127132.5-178.8173.3178.1-163.200111R254 F272 S276 S277 G278 T281 N282 L308 V315R254-E310 IonicContact CZ-OE1 3.77Å; R254-E310 IonicContact CZ-OE2 3.39Å; R254-E310 VanDerWaalsContact CZ-OE2 3.27Å; R254-E310 IonicContact NH1-OE1 3.7Å; R254-E310 PolarHBondContact NH1-OE1 2.95Å; R254-E310 IonicContact NH1-OE2 2.8Å; R254-E310 PolarHBondContact NH1-OE2 2.79Å; R254-E310 IonicContact NH2-OE1 3.84Å; R254-E310 PolarHBondContact NH2-OE1 3.22Å; R254-E310 IonicContact NH2-OE2 2.72Å; R254-E310 PolarHBondContact NH2-OE2 3.25Å; F272-E310 WeakPolarHBondContact CE1-OE2 3.45Å; F272-E310 WeakPolarHBondContact CZ-OE2 3.42Å; S276-E310 WeakPolarHBondContact CB-OE1 3.33Å; S276-E310 PolarHBondContact OG-OE1 2.86Å; S277-E310 PolarHBondContact N-OE1 3.29Å; G278-E310 PolarHBondContact N-OE1 3.48Å; T281-E310 WeakPolarHBondContact CA-O 3.47Å; T281-E310 VanDerWaalsContact CB-O 3.23Å; T281-E310 WeakPolarHBondContact CB-O 3.39Å; N282-E310 PolarHBondContact O-N 2.92Å; L308-E310 HydrophobicContact CD2-CB 4.3Å; E310-V315 HydrophobicContact CB-CG2 4.16Å; E310-V315 HydrophobicContact CG-CG2 3.98Å
311I98.1Very high97.9Very high3 Ų331.8 Ų31.82%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-133.6168.7164.563.5172.6000109.2I233 T281 G313 F314 I341 A344I233-I311 HydrophobicContact CD1-CG2 3.95Å; T281-I311 HydrophobicContact CG2-CB 4.4Å; T281-I311 HydrophobicContact CG2-CG2 4.34Å; I311-G313 PolarHBondContact O-N 3.2Å; I311-G313 VanDerWaalsContact O-N 3.07Å; I311-F314 HydrophobicContact CD1-CB 4.34Å; I311-F314 HydrophobicContact CD1-CD1 4.25Å; I311-F314 HydrophobicContact CG1-CB 3.85Å; I311-F314 HydrophobicContact CG1-CD1 4.47Å; I311-F314 PolarHBondContact N-O 3.08Å; I311-F314 PolarHBondContact O-N 2.75Å; I311-I341 HydrophobicContact CD1-CD1 4.29Å; I311-I341 HydrophobicContact CD1-CG2 4.47Å; I311-I341 HydrophobicContact CG1-CD1 4.03Å; I311-I341 HydrophobicContact CG2-CG2 3.83Å; I311-A344 HydrophobicContact CD1-CB 3.55Å
312P98Very high98.1Very high4 Ų434.4 Ų34.43%0.02619%0.186CC..THydrogen-bonded Turntrans-51.8118.9178.2-2732.3000114S240 Y241 I244 G278 F314S240-P312 WeakPolarHBondContact O-CB 3.42Å; Y241-P312 HydrophobicContact CD1-CG 4.15Å; Y241-P312 HydrophobicContact CE1-CG 4.31Å; I244-P312 HydrophobicContact CD1-CG 4.2Å; I244-P312 HydrophobicContact CG1-CB 4.13Å; I244-P312 HydrophobicContact CG1-CG 4.19Å; G278-P312 WeakPolarHBondContact O-CD 3.49Å; G278-P312 WeakPolarHBondContact O-CG 3.47Å; P312-F314 VanDerWaalsContact C-N 3.29Å; P312-F314 PolarHBondContact O-N 2.87Å
313G96.5Very high98.1Very high59 Ų5932 Ų3261%0.60818%0.177SC*.THydrogen-bonded Turntrans75.46.5178.800000115.4I311I311-G313 PolarHBondContact O-N 3.2Å; I311-G313 VanDerWaalsContact O-N 3.07Å
314F97.5Very high98.1Very high83 Ų8328.7 Ų28.736%0.36416%0.16SC..EExtended strand (participates in β ladder)trans-150.3123-175.1-165.9-150.8000113.6I311 P312 V316 A340 I341 A344I311-F314 HydrophobicContact CD1-CB 4.34Å; I311-F314 HydrophobicContact CD1-CD1 4.25Å; I311-F314 HydrophobicContact CG1-CB 3.85Å; I311-F314 HydrophobicContact CG1-CD1 4.47Å; I311-F314 PolarHBondContact N-O 3.08Å; I311-F314 PolarHBondContact O-N 2.75Å; P312-F314 VanDerWaalsContact C-N 3.29Å; P312-F314 PolarHBondContact O-N 2.87Å; F314-V316 HydrophobicContact CE1-CG2 4.34Å; F314-V316 HydrophobicContact CE2-CG2 3.98Å; F314-V316 HydrophobicContact CZ-CG2 3.82Å; F314-A340 HydrophobicContact CE1-CB 3.87Å; F314-A340 HydrophobicContact CZ-CB 3.97Å; F314-I341 HydrophobicContact CD1-CD1 3.66Å; F314-I341 HydrophobicContact CE1-CD1 4.02Å; F314-I341 HydrophobicContact CG-CD1 4.15Å; F314-A344 HydrophobicContact CD1-CB 4.09Å; F314-A344 HydrophobicContact CE1-CB 4.4Å
315V98.4Very high98Very high42 Ų4229.7 Ų29.726%0.25516%0.163SC..EExtended strand (participates in β ladder)trans-126.3136177.7-177.70000109.2L308 E309 E310L308-V315 HydrophobicContact CD1-CG1 3.86Å; L308-V315 HydrophobicContact CD2-CG1 4.05Å; L308-V315 HydrophobicContact CG-CG1 3.82Å; E309-V315 WeakPolarHBondContact O-CA 3.35Å; E310-V315 HydrophobicContact CB-CG2 4.16Å; E310-V315 HydrophobicContact CG-CG2 3.98Å
316V98.6Very high97.8Very high27 Ų2735.6 Ų35.616%0.16420%0.195CC..EExtended strand (participates in β ladder)trans-127.3134.1172.7177.40000108.4L308 E309 F314 E318 F338 I341L308-V316 CarbonylContact C-O 3.4Å; L308-V316 VanDerWaalsContact CA-O 3.25Å; L308-V316 WeakPolarHBondContact CA-O 3.38Å; E309-V316 PolarHBondContact N-O 3.48Å; E309-V316 PolarHBondContact O-N 3.46Å; F314-V316 HydrophobicContact CE1-CG2 4.34Å; F314-V316 HydrophobicContact CE2-CG2 3.98Å; F314-V316 HydrophobicContact CZ-CG2 3.82Å; V316-E318 HydrophobicContact CG1-CG 4.5Å; V316-F338 HydrophobicContact CB-CD2 3.88Å; V316-F338 HydrophobicContact CB-CE2 4.3Å; V316-F338 HydrophobicContact CB-CG 4.28Å; V316-F338 HydrophobicContact CG1-CB 4.29Å; V316-F338 HydrophobicContact CG1-CD1 3.99Å; V316-F338 HydrophobicContact CG1-CD2 3.63Å; V316-F338 HydrophobicContact CG1-CE1 4.22Å; V316-F338 HydrophobicContact CG1-CE2 3.87Å; V316-F338 HydrophobicContact CG1-CG 3.71Å; V316-F338 HydrophobicContact CG1-CZ 4.17Å; V316-I341 HydrophobicContact CB-CD1 4.47Å; V316-I341 HydrophobicContact CB-CG1 4.22Å; V316-I341 HydrophobicContact CG2-CD1 4Å; V316-I341 HydrophobicContact CG2-CG1 3.96Å
317A98.7Very high97.7Very high42 Ų4239 Ų3935%0.34721%0.211SC..EExtended strand (participates in β ladder)trans-138.3132.7175.400000110.9T269 V307 L308T269-A317 HydrophobicContact CG2-CB 4.1Å; V307-A317 CarbonylContact O-C 3.52Å; V307-A317 VanDerWaalsContact O-CA 3.27Å; V307-A317 WeakPolarHBondContact O-CA 3.18Å; L308-A317 HydrophobicContact CB-CB 3.93Å; L308-A317 HydrophobicContact CD1-CB 4.07Å; L308-A317 HydrophobicContact CG-CB 4.09Å
318E98.7Very high97.5Very high95 Ų9539.7 Ų39.744%0.44422%0.219SC..EExtended strand (participates in β ladder)trans-137.8150.3-179.7-64.2-171.1-178.600111.9Y306 V307 V316 L320 F338Y306-E318 WeakPolarHBondContact CA-O 3.43Å; V307-E318 PolarHBondContact N-O 3.24Å; V307-E318 PolarHBondContact O-N 2.99Å; V316-E318 HydrophobicContact CG1-CG 4.5Å; E318-L320 HydrophobicContact CB-CD2 4.02Å; E318-L320 HydrophobicContact CB-CG 4.33Å; E318-L320 PolarHBondContact O-N 2.91Å; E318-F338 HydrophobicContact CB-CE1 3.86Å; E318-F338 HydrophobicContact CB-CZ 3.81Å; E318-F338 VanDerWaalsContact CD-CE1 3.48Å; E318-F338 HydrophobicContact CG-CE1 3.65Å; E318-F338 HydrophobicContact CG-CZ 3.89Å
319D98.7Very high97.5Very high48 Ų4840.8 Ų40.826%0.25722%0.223SC..EExtended strand (participates in β ladder)trans-77.5111.8165.1-169.1-32.5000108.8N303 Y306 T321N303-D319 WeakPolarHBondContact CA-OD2 3.31Å; N303-D319 PolarHBondContact N-OD2 3.38Å; Y306-D319 HydrophobicContact CD1-CB 4.35Å; Y306-D319 HydrophobicContact CD2-CB 4.49Å; Y306-D319 HydrophobicContact CE1-CB 3.8Å; Y306-D319 HydrophobicContact CE2-CB 3.96Å; Y306-D319 WeakPolarHBondContact CE2-OD2 3.47Å; Y306-D319 PolarHBondContact OH-OD2 3.28Å; D319-T321 WeakPolarHBondContact OD1-CB 3.35Å; D319-T321 PolarHBondContact OD1-N 3.04Å; D319-T321 PolarHBondContact OD1-OG1 2.84Å
320L98.6Very high97.4Very high4 Ų441 Ų412%0.02122%0.224CC..  trans-108.722.7-179.4-61.8-172.4000111.8F305 V307 E318 R322 T323 I324 W330 Y337 F338F305-L320 HydrophobicContact CD1-CB 3.87Å; F305-L320 HydrophobicContact CE1-CB 4.08Å; F305-L320 PolarHBondContact O-N 3.05Å; V307-L320 HydrophobicContact CB-CD1 3.73Å; V307-L320 HydrophobicContact CB-CG 4.36Å; V307-L320 HydrophobicContact CG1-CD1 4.44Å; V307-L320 HydrophobicContact CG2-CD1 3.71Å; V307-L320 HydrophobicContact CG2-CG 4.38Å; E318-L320 HydrophobicContact CB-CD2 4.02Å; E318-L320 HydrophobicContact CB-CG 4.33Å; E318-L320 PolarHBondContact O-N 2.91Å; L320-R322 PolarHBondContact O-N 3.37Å; L320-T323 WeakPolarHBondContact O-CB 3.25Å; L320-T323 PolarHBondContact O-N 3.05Å; L320-T323 VanDerWaalsContact O-N 3.14Å; L320-I324 PolarHBondContact O-N 3.32Å; L320-W330 HydrophobicContact CD1-CE3 4.43Å; L320-W330 HydrophobicContact CD1-CH2 3.37Å; L320-W330 HydrophobicContact CD1-CZ2 4.32Å; L320-W330 HydrophobicContact CD1-CZ3 3.45Å; L320-W330 VanDerWaalsContact CD1-CZ3 3.45Å; L320-Y337 HydrophobicContact CD1-CD1 4.12Å; L320-Y337 HydrophobicContact CD1-CE1 3.73Å; L320-Y337 HydrophobicContact CD2-CE1 4.41Å; L320-F338 HydrophobicContact CD1-CE1 4.47Å; L320-F338 HydrophobicContact CD1-CZ 4.39Å
321T98.1Very high97.5Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-57.3-50.3177.6-56.90000111.4F299 Y301 N303 V304 F305 D319 T323 I324 Y325F299-T321 HydrophobicContact CE1-CG2 4.12Å; F299-T321 HydrophobicContact CZ-CG2 3.54Å; Y301-T321 VanDerWaalsContact O-CB 3.29Å; Y301-T321 WeakPolarHBondContact O-CB 3.22Å; Y301-T321 WeakPolarHBondContact O-CG2 3.36Å; N303-T321 PolarHBondContact N-OG1 3.07Å; V304-T321 HydrophobicContact CB-CG2 3.77Å; V304-T321 HydrophobicContact CG2-CG2 4Å; V304-T321 PolarHBondContact N-OG1 3.02Å; F305-T321 PolarHBondContact N-OG1 3.37Å; F305-T321 PolarHBondContact O-N 3.38Å; D319-T321 WeakPolarHBondContact OD1-CB 3.35Å; D319-T321 PolarHBondContact OD1-N 3.04Å; D319-T321 PolarHBondContact OD1-OG1 2.84Å; T321-T323 VanDerWaalsContact C-N 3.27Å; T321-T323 PolarHBondContact O-N 3.27Å; T321-I324 VanDerWaalsContact O-CG2 3.31Å; T321-I324 WeakPolarHBondContact O-CG2 3.42Å; T321-I324 PolarHBondContact O-N 2.77Å; T321-Y325 HydrophobicContact CG2-CD2 4.03Å; T321-Y325 HydrophobicContact CG2-CE2 4.07Å; T321-Y325 VanDerWaalsContact O-CD2 3.27Å; T321-Y325 WeakPolarHBondContact O-CD2 3.3Å; T321-Y325 PolarHBondContact O-N 2.66Å
322R97.2Very high97.5Very high127 Ų12741.2 Ų41.248%0.47923%0.227SC..Hα-helixtrans-59.5-39.3176-170.6178.6-60.5-85-8.8112.3D300 Y301 L320 N326D300-R322 PolarHBondContact O-NH2 3.43Å; Y301-R322 PolarHBondContact O-N 2.77Å; L320-R322 PolarHBondContact O-N 3.37Å; R322-N326 VanDerWaalsContact O-CB 3.3Å; R322-N326 WeakPolarHBondContact O-CB 3.42Å; R322-N326 PolarHBondContact O-N 3.4Å; R322-N326 PolarHBondContact O-ND2 3.11Å
323T97.6Very high97.5Very high43 Ų4341.8 Ų41.826%0.26423%0.228SC..Hα-helixtrans-63.6-50.8179.7-56.10000111.4L320 T321 Y325 N326 Q327L320-T323 WeakPolarHBondContact O-CB 3.25Å; L320-T323 PolarHBondContact O-N 3.05Å; L320-T323 VanDerWaalsContact O-N 3.14Å; T321-T323 VanDerWaalsContact C-N 3.27Å; T321-T323 PolarHBondContact O-N 3.27Å; T323-Y325 VanDerWaalsContact C-N 3.35Å; T323-Y325 PolarHBondContact O-N 2.91Å; T323-N326 PolarHBondContact O-N 3.43Å; T323-Q327 VanDerWaalsContact O-CB 3.3Å; T323-Q327 WeakPolarHBondContact O-CB 3.3Å; T323-Q327 PolarHBondContact O-N 3.05Å
324I97.2Very high97.6Very high2 Ų240.3 Ų40.31%0.0121%0.206CC..Hα-helixtrans-66-36.4-176.9-164.4177.7000112.2I162 P164 F305 L320 T321 G328 Y329 W330I162-I324 HydrophobicContact CB-CD1 3.87Å; I162-I324 HydrophobicContact CG2-CD1 3.57Å; P164-I324 HydrophobicContact CG-CD1 3.92Å; P164-I324 HydrophobicContact CG-CG1 3.79Å; P164-I324 HydrophobicContact CG-CG2 4.21Å; F305-I324 HydrophobicContact CB-CG2 4.07Å; F305-I324 HydrophobicContact CD1-CB 3.94Å; F305-I324 HydrophobicContact CD1-CD1 4.08Å; F305-I324 HydrophobicContact CD1-CG2 3.89Å; F305-I324 HydrophobicContact CE1-CB 4.37Å; F305-I324 HydrophobicContact CE1-CD1 4.21Å; F305-I324 HydrophobicContact CG-CD1 4.29Å; F305-I324 HydrophobicContact CG-CG2 4.23Å; L320-I324 PolarHBondContact O-N 3.32Å; T321-I324 VanDerWaalsContact O-CG2 3.31Å; T321-I324 WeakPolarHBondContact O-CG2 3.42Å; T321-I324 PolarHBondContact O-N 2.77Å; I324-G328 CarbonylContact O-C 3.34Å; I324-G328 WeakPolarHBondContact O-CA 3.47Å; I324-G328 PolarHBondContact O-N 2.53Å; I324-Y329 PolarHBondContact O-N 3.39Å; I324-W330 HydrophobicContact CD1-CB 3.6Å; I324-W330 HydrophobicContact CG1-CB 3.88Å
325Y94.9Very high97.6Very high24 Ų2436.8 Ų36.89%0.09419%0.191CC..Hα-helixtrans-73.1-34.7177.1-84.1-99.7000113.1P164 L166 P293 L296 F299 Y301 T321 T323P164-Y325 HydrophobicContact CB-CD1 4.44Å; P164-Y325 HydrophobicContact CB-CE1 4.13Å; P164-Y325 HydrophobicContact CB-CE2 4.37Å; P164-Y325 HydrophobicContact CG-CD2 4.39Å; P164-Y325 HydrophobicContact CG-CE2 4.33Å; L166-Y325 HydrophobicContact CD2-CD1 3.5Å; L166-Y325 VanDerWaalsContact CD2-CD1 3.5Å; L166-Y325 HydrophobicContact CD2-CE1 3.46Å; L166-Y325 VanDerWaalsContact CD2-CE1 3.46Å; P293-Y325 WeakPolarHBondContact CD-OH 3.38Å; L296-Y325 HydrophobicContact CD2-CE1 4.04Å; F299-Y325 HydrophobicContact CD1-CE1 4.34Å; F299-Y325 HydrophobicContact CE1-CD1 4.11Å; F299-Y325 HydrophobicContact CE1-CD2 4.02Å; F299-Y325 AromaticContact CE1-CE1 3.82Å; F299-Y325 HydrophobicContact CE1-CE1 3.82Å; F299-Y325 AromaticContact CE1-CE2 3.71Å; F299-Y325 HydrophobicContact CE1-CE2 3.71Å; F299-Y325 HydrophobicContact CE1-CG 4.22Å; F299-Y325 AromaticContact CE1-CZ 3.61Å; F299-Y325 HydrophobicContact CZ-CE2 4.1Å; Y301-Y325 HydrophobicContact CD1-CD1 4.15Å; Y301-Y325 HydrophobicContact CD1-CD2 4.46Å; Y301-Y325 AromaticContact CD1-CG 3.83Å; Y301-Y325 HydrophobicContact CD1-CG 3.83Å; Y301-Y325 AromaticContact CE1-CD1 3.91Å; Y301-Y325 HydrophobicContact CE1-CD1 3.91Å; Y301-Y325 AromaticContact CE1-CG 4Å; Y301-Y325 HydrophobicContact CE1-CG 4Å; T321-Y325 HydrophobicContact CG2-CD2 4.03Å; T321-Y325 HydrophobicContact CG2-CE2 4.07Å; T321-Y325 VanDerWaalsContact O-CD2 3.27Å; T321-Y325 WeakPolarHBondContact O-CD2 3.3Å; T321-Y325 PolarHBondContact O-N 2.66Å; T323-Y325 VanDerWaalsContact C-N 3.35Å; T323-Y325 PolarHBondContact O-N 2.91Å
326N94.2Very high97.6Very high125 Ų12534.9 Ų34.967%0.66818%0.18SC*.Hα-helixtrans-73.8-41.3176.3-74.9-13.2000112.5R322 T323 G328R322-N326 VanDerWaalsContact O-CB 3.3Å; R322-N326 WeakPolarHBondContact O-CB 3.42Å; R322-N326 PolarHBondContact O-N 3.4Å; R322-N326 PolarHBondContact O-ND2 3.11Å; T323-N326 PolarHBondContact O-N 3.43Å; N326-G328 VanDerWaalsContact C-N 3.35Å
327Q95.1Very high97.6Very high90 Ų9037.4 Ų37.442%0.42119%0.187SC..Hα-helixtrans-75-28.8178.7-178.7170.7-58.300112.1T323 Y329T323-Q327 VanDerWaalsContact O-CB 3.3Å; T323-Q327 WeakPolarHBondContact O-CB 3.3Å; T323-Q327 PolarHBondContact O-N 3.05Å; Q327-Y329 HydrophobicContact CG-CD1 4.1Å; Q327-Y329 HydrophobicContact CG-CE1 4.02Å; Q327-Y329 PolarHBondContact NE2-O 2.77Å
328G95.3Very high97.6Very high16 Ų1636 Ų3617%0.16517%0.173CC..SBendtrans91.5-13-177.100000114.1L163 I324 N326L163-G328 WeakPolarHBondContact CD1-O 3.21Å; I324-G328 CarbonylContact O-C 3.34Å; I324-G328 WeakPolarHBondContact O-CA 3.47Å; I324-G328 PolarHBondContact O-N 2.53Å; N326-G328 VanDerWaalsContact C-N 3.35Å
329Y97.9Very high97.5Very high22 Ų2241 Ų419%0.08619%0.188CC..  trans-160.5163.7175.875.3-79.4000111.6F161 I162 I324 Q327 A331 F369 K370 W373F161-Y329 HydrophobicContact CD2-CD2 4.01Å; F161-Y329 AromaticContact CE2-CD2 3.44Å; F161-Y329 HydrophobicContact CE2-CD2 3.44Å; F161-Y329 VanDerWaalsContact CE2-CD2 3.44Å; F161-Y329 HydrophobicContact CE2-CE2 4.32Å; F161-Y329 AromaticContact CE2-CG 3.81Å; F161-Y329 HydrophobicContact CE2-CG 3.81Å; F161-Y329 HydrophobicContact CZ-CD2 4.45Å; F161-Y329 HydrophobicContact CZ-CG 4.43Å; I162-Y329 WeakPolarHBondContact O-CA 3.25Å; I324-Y329 PolarHBondContact O-N 3.39Å; Q327-Y329 HydrophobicContact CG-CD1 4.1Å; Q327-Y329 HydrophobicContact CG-CE1 4.02Å; Q327-Y329 PolarHBondContact NE2-O 2.77Å; Y329-A331 HydrophobicContact CD2-CB 3.98Å; Y329-A331 HydrophobicContact CE2-CB 3.69Å; Y329-F369 HydrophobicContact CE2-CB 4.16Å; Y329-K370 WeakPolarHBondContact OH-CA 3.49Å; Y329-W373 HydrophobicContact CD1-CB 4Å; Y329-W373 AromaticContact CD1-CD1 3.64Å; Y329-W373 AromaticContact CD1-CD2 3.56Å; Y329-W373 HydrophobicContact CD1-CD2 3.56Å; Y329-W373 AromaticContact CD1-CE2 3.78Å; Y329-W373 HydrophobicContact CD1-CE3 4.17Å; Y329-W373 AromaticContact CD1-CG 3.47Å; Y329-W373 HydrophobicContact CD1-CG 3.47Å; Y329-W373 VanDerWaalsContact CD1-CG 3.47Å; Y329-W373 AromaticContact CD1-NE1 3.81Å; Y329-W373 HydrophobicContact CD2-CB 4.46Å; Y329-W373 HydrophobicContact CE1-CB 4.35Å; Y329-W373 AromaticContact CE1-CD1 3.43Å; Y329-W373 VanDerWaalsContact CE1-CD1 3.43Å; Y329-W373 HydrophobicContact CE1-CD2 4.15Å; Y329-W373 AromaticContact CE1-CG 3.74Å; Y329-W373 HydrophobicContact CE1-CG 3.74Å; Y329-W373 AromaticContact CE1-NE1 3.65Å; Y329-W373 HydrophobicContact CG-CB 4.06Å; Y329-W373 HydrophobicContact CG-CD2 4.23Å; Y329-W373 HydrophobicContact CG-CG 4.02Å
330W98.7Very high97.5Very high5 Ų541 Ų412%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-120138.9163-176.9-90.5000109.8F161 I162 M285 F305 V307 L320 I324 Y337F161-W330 WeakPolarHBondContact CA-O 3.44Å; F161-W330 WeakPolarHBondContact CD2-O 3.45Å; I162-W330 HydrophobicContact CB-CB 4.22Å; I162-W330 HydrophobicContact CD1-CB 4.23Å; I162-W330 HydrophobicContact CD1-CG 4.23Å; I162-W330 PolarHBondContact N-O 2.87Å; I162-W330 PolarHBondContact O-N 3.46Å; M285-W330 VanDerWaalsContact SD-CD1 3.59Å; M285-W330 PolarHBondContact SD-NE1 3.22Å; M285-W330 VanDerWaalsContact SD-NE1 3.45Å; F305-W330 HydrophobicContact CE1-CB 3.99Å; F305-W330 AromaticContact CE1-CD2 3.64Å; F305-W330 HydrophobicContact CE1-CD2 3.64Å; F305-W330 AromaticContact CE1-CE3 3.8Å; F305-W330 HydrophobicContact CE1-CE3 3.8Å; F305-W330 AromaticContact CE1-CG 3.75Å; F305-W330 HydrophobicContact CE1-CG 3.75Å; F305-W330 HydrophobicContact CE1-CZ3 4.49Å; F305-W330 HydrophobicContact CZ-CB 3.91Å; F305-W330 AromaticContact CZ-CD1 3.71Å; F305-W330 AromaticContact CZ-CD2 3.73Å; F305-W330 HydrophobicContact CZ-CD2 3.73Å; F305-W330 HydrophobicContact CZ-CE3 4.37Å; F305-W330 AromaticContact CZ-CG 3.5Å; F305-W330 HydrophobicContact CZ-CG 3.5Å; V307-W330 HydrophobicContact CB-CZ2 4.39Å; V307-W330 HydrophobicContact CG1-CH2 4.43Å; V307-W330 HydrophobicContact CG1-CZ2 3.98Å; V307-W330 HydrophobicContact CG2-CD2 4.49Å; V307-W330 HydrophobicContact CG2-CH2 4.05Å; V307-W330 HydrophobicContact CG2-CZ2 3.7Å; L320-W330 HydrophobicContact CD1-CE3 4.43Å; L320-W330 HydrophobicContact CD1-CH2 3.37Å; L320-W330 HydrophobicContact CD1-CZ2 4.32Å; L320-W330 HydrophobicContact CD1-CZ3 3.45Å; L320-W330 VanDerWaalsContact CD1-CZ3 3.45Å; I324-W330 HydrophobicContact CD1-CB 3.6Å; I324-W330 HydrophobicContact CG1-CB 3.88Å; W330-Y337 AromaticContact CH2-CD1 3.73Å; W330-Y337 HydrophobicContact CH2-CD1 3.73Å; W330-Y337 AromaticContact CH2-CD2 3.51Å; W330-Y337 HydrophobicContact CH2-CD2 3.51Å; W330-Y337 HydrophobicContact CH2-CE1 4.05Å; W330-Y337 AromaticContact CH2-CE2 3.85Å; W330-Y337 HydrophobicContact CH2-CE2 3.85Å; W330-Y337 AromaticContact CH2-CG 3.45Å; W330-Y337 HydrophobicContact CH2-CG 3.45Å; W330-Y337 VanDerWaalsContact CH2-CG 3.45Å; W330-Y337 HydrophobicContact CZ2-CD2 4.38Å; W330-Y337 HydrophobicContact CZ2-CG 4.16Å; W330-Y337 HydrophobicContact CZ3-CD2 4.02Å; W330-Y337 HydrophobicContact CZ3-CE1 4.46Å; W330-Y337 AromaticContact CZ3-CE2 3.91Å; W330-Y337 HydrophobicContact CZ3-CE2 3.91Å; W330-Y337 HydrophobicContact CZ3-CG 4.34Å
331A98.7Very high97.5Very high7 Ų740.9 Ų40.96%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-132.4142.8173.300000109.9A160 F161 Y329 Y333 F369A160-A331 WeakPolarHBondContact O-CA 3.29Å; F161-A331 HydrophobicContact CD2-CB 4.25Å; Y329-A331 HydrophobicContact CD2-CB 3.98Å; Y329-A331 HydrophobicContact CE2-CB 3.69Å; A331-Y333 HydrophobicContact CB-CD1 4.09Å; A331-Y333 HydrophobicContact CB-CE1 3.84Å; A331-Y333 WeakPolarHBondContact O-CE1 3.25Å; A331-F369 HydrophobicContact CB-CB 3.94Å; A331-F369 HydrophobicContact CB-CD1 4.17Å; A331-F369 HydrophobicContact CB-CD2 3.54Å; A331-F369 HydrophobicContact CB-CE2 4.01Å; A331-F369 HydrophobicContact CB-CG 3.63Å
332S98.9Very high97.5Very high1 Ų142 Ų421%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-130.5137.4-179.8-168.10000110.1S159 A160 T231 Q283 M285S159-S332 WeakPolarHBondContact CA-O 3.34Å; A160-S332 PolarHBondContact N-O 2.96Å; A160-S332 PolarHBondContact O-N 3.18Å; T231-S332 WeakPolarHBondContact CG2-OG 3.47Å; T231-S332 PolarHBondContact OG1-OG 3.11Å; Q283-S332 PolarHBondContact OE1-OG 2.87Å; M285-S332 WeakPolarHBondContact SD-CB 3.44Å
333Y98.4Very high97.5Very high15 Ų1539.2 Ų39.26%0.05919%0.193CC..  trans-159.348.9-165.238.4-100.1000112.4A331 I335 H360 N363 R365 A366 F369A331-Y333 HydrophobicContact CB-CD1 4.09Å; A331-Y333 HydrophobicContact CB-CE1 3.84Å; A331-Y333 WeakPolarHBondContact O-CE1 3.25Å; Y333-I335 HydrophobicContact CD2-CB 4.36Å; Y333-I335 HydrophobicContact CE2-CB 4.46Å; Y333-I335 PolarHBondContact O-N 3.35Å; Y333-H360 WeakPolarHBondContact CE2-O 3.21Å; Y333-H360 AromaticContact CZ-NE2 3.95Å; Y333-H360 PolarHBondContact OH-CE1 2.93Å; Y333-H360 PolarHBondContact OH-ND1 2.81Å; Y333-H360 PolarHBondContact OH-NE2 3.42Å; Y333-H360 PolarHBondContact OH-O 3.42Å; Y333-N363 VanDerWaalsContact CD2-ND2 3.31Å; Y333-N363 WeakPolarHBondContact CD2-ND2 3.36Å; Y333-N363 WeakPolarHBondContact CE2-ND2 3.14Å; Y333-R365 VanDerWaalsContact C-NH2 3.33Å; Y333-R365 HydrophobicContact CG-CB 4.16Å; Y333-R365 PolarHBondContact O-NH2 3.26Å; Y333-A366 HydrophobicContact CE1-CB 3.98Å; Y333-A366 HydrophobicContact CE2-CB 3.87Å; Y333-F369 AromaticContact CD1-CD2 3.95Å; Y333-F369 HydrophobicContact CD1-CD2 3.95Å; Y333-F369 HydrophobicContact CD1-CE2 4.12Å; Y333-F369 HydrophobicContact CE1-CD2 4.46Å
334N97.9Very high97.5Very high28 Ų2838.8 Ų38.815%0.1519%0.194CC..SBendtrans62.917.9173.4-51112.4000116.4G157 C158 T231 T232 R365G157-N334 WeakPolarHBondContact CA-ND2 3.29Å; C158-N334 PolarHBondContact N-ND2 2.89Å; C158-N334 PolarHBondContact N-OD1 3.37Å; C158-N334 PolarHBondContact O-OD1 3.11Å; T231-N334 PolarHBondContact OG1-N 3.09Å; T231-N334 VanDerWaalsContact OG1-N 3.12Å; T232-N334 PolarHBondContact N-ND2 2.98Å; T232-N334 WeakPolarHBondContact O-CA 3.49Å; T232-N334 WeakPolarHBondContact O-CB 3.26Å; T232-N334 PolarHBondContact O-ND2 3.04Å; N334-R365 VanDerWaalsContact OD1-CZ 3.24Å; N334-R365 PolarHBondContact OD1-NH1 3.08Å; N334-R365 PolarHBondContact OD1-NH2 3.43Å
335I97.9Very high97.6Very high10 Ų1038.7 Ų38.75%0.05119%0.194CC..SBendtrans-126.6129.8175-60.6179000107.2Y333 F342 T359 H360 N363Y333-I335 HydrophobicContact CD2-CB 4.36Å; Y333-I335 HydrophobicContact CE2-CB 4.46Å; Y333-I335 PolarHBondContact O-N 3.35Å; I335-F342 HydrophobicContact CG2-CD2 3.9Å; I335-F342 HydrophobicContact CG2-CE2 3.63Å; I335-T359 WeakPolarHBondContact CD1-O 3.33Å; I335-H360 HydrophobicContact CG2-CB 3.9Å; I335-N363 HydrophobicContact CD1-CB 3.93Å
336P98.3Very high97.6Very high1 Ų141 Ų411%0.00621%0.207CC..  trans-66.4138.1-179.125.9-31.7000111.4I233 E309 I341 F342 Q347 H360I233-P336 HydrophobicContact CB-CB 4.29Å; I233-P336 HydrophobicContact CB-CG 4.5Å; I233-P336 HydrophobicContact CD1-CB 4.04Å; I233-P336 HydrophobicContact CG2-CB 4.17Å; E309-P336 VanDerWaalsContact OE1-CA 3.3Å; E309-P336 WeakPolarHBondContact OE1-CA 3.43Å; E309-P336 WeakPolarHBondContact OE2-CB 3.38Å; P336-I341 HydrophobicContact CB-CB 4.15Å; P336-I341 HydrophobicContact CB-CG2 3.62Å; P336-I341 HydrophobicContact CG-CG2 4.18Å; P336-F342 HydrophobicContact CG-CB 3.94Å; P336-F342 HydrophobicContact CG-CD2 3.93Å; P336-F342 HydrophobicContact CG-CG 4.35Å; P336-Q347 HydrophobicContact CG-CG 4.32Å; P336-H360 PolarHBondContact O-CD2 3.29Å
337Y98.5Very high97.7Very high80 Ų8035.4 Ų35.431%0.31418%0.177SC..SBendtrans-78.9-44.2175.5170.2-97.4000111.4E309 L320 W330 R339 H360E309-Y337 WeakPolarHBondContact OE1-CB 3.4Å; E309-Y337 PolarHBondContact OE1-N 3.09Å; E309-Y337 PolarHBondContact OE2-N 3.18Å; L320-Y337 HydrophobicContact CD1-CD1 4.12Å; L320-Y337 HydrophobicContact CD1-CE1 3.73Å; L320-Y337 HydrophobicContact CD2-CE1 4.41Å; W330-Y337 AromaticContact CH2-CD1 3.73Å; W330-Y337 HydrophobicContact CH2-CD1 3.73Å; W330-Y337 AromaticContact CH2-CD2 3.51Å; W330-Y337 HydrophobicContact CH2-CD2 3.51Å; W330-Y337 HydrophobicContact CH2-CE1 4.05Å; W330-Y337 AromaticContact CH2-CE2 3.85Å; W330-Y337 HydrophobicContact CH2-CE2 3.85Å; W330-Y337 AromaticContact CH2-CG 3.45Å; W330-Y337 HydrophobicContact CH2-CG 3.45Å; W330-Y337 VanDerWaalsContact CH2-CG 3.45Å; W330-Y337 HydrophobicContact CZ2-CD2 4.38Å; W330-Y337 HydrophobicContact CZ2-CG 4.16Å; W330-Y337 HydrophobicContact CZ3-CD2 4.02Å; W330-Y337 HydrophobicContact CZ3-CE1 4.46Å; W330-Y337 AromaticContact CZ3-CE2 3.91Å; W330-Y337 HydrophobicContact CZ3-CE2 3.91Å; W330-Y337 HydrophobicContact CZ3-CG 4.34Å; Y337-R339 PolarHBondContact O-N 3.24Å; Y337-H360 AromaticContact CD2-CE1 3.76Å; Y337-H360 AromaticContact CD2-NE2 3.87Å
338F98.6Very high97.8Very high12 Ų1235.7 Ų35.75%0.05318%0.181CC..SBendtrans-72.1119.2-176.4-62.6-61.8000109.4V307 E309 V316 E318 L320 A340 I341 F342V307-F338 HydrophobicContact CB-CZ 4.31Å; V307-F338 HydrophobicContact CG1-CE2 4Å; V307-F338 HydrophobicContact CG1-CZ 4.2Å; E309-F338 HydrophobicContact CB-CD2 3.87Å; E309-F338 HydrophobicContact CB-CE2 4.36Å; E309-F338 VanDerWaalsContact CD-CD2 3.48Å; E309-F338 HydrophobicContact CG-CD2 3.63Å; E309-F338 HydrophobicContact CG-CE2 3.97Å; E309-F338 WeakPolarHBondContact OE2-CB 3.34Å; E309-F338 VanDerWaalsContact OE2-CD2 3.24Å; E309-F338 WeakPolarHBondContact OE2-CD2 3.03Å; E309-F338 PolarHBondContact OE2-N 2.85Å; V316-F338 HydrophobicContact CB-CD2 3.88Å; V316-F338 HydrophobicContact CB-CE2 4.3Å; V316-F338 HydrophobicContact CB-CG 4.28Å; V316-F338 HydrophobicContact CG1-CB 4.29Å; V316-F338 HydrophobicContact CG1-CD1 3.99Å; V316-F338 HydrophobicContact CG1-CD2 3.63Å; V316-F338 HydrophobicContact CG1-CE1 4.22Å; V316-F338 HydrophobicContact CG1-CE2 3.87Å; V316-F338 HydrophobicContact CG1-CG 3.71Å; V316-F338 HydrophobicContact CG1-CZ 4.17Å; E318-F338 HydrophobicContact CB-CE1 3.86Å; E318-F338 HydrophobicContact CB-CZ 3.81Å; E318-F338 VanDerWaalsContact CD-CE1 3.48Å; E318-F338 HydrophobicContact CG-CE1 3.65Å; E318-F338 HydrophobicContact CG-CZ 3.89Å; L320-F338 HydrophobicContact CD1-CE1 4.47Å; L320-F338 HydrophobicContact CD1-CZ 4.39Å; F338-A340 PolarHBondContact O-N 3.17Å; F338-I341 HydrophobicContact CB-CB 4.35Å; F338-I341 HydrophobicContact CB-CG1 4.12Å; F338-I341 WeakPolarHBondContact O-CA 3.11Å; F338-I341 PolarHBondContact O-N 3.01Å; F338-F342 PolarHBondContact O-N 2.87Å
339R97.8Very high97.9Very high201 Ų20136.7 Ų36.776%0.75819%0.188SC*.Hα-helixtrans-52.9-34.5-179.3-173.5176.5-178.1-173.9-0.2113Y337 N343Y337-R339 PolarHBondContact O-N 3.24Å; R339-N343 WeakPolarHBondContact O-CB 3.46Å; R339-N343 PolarHBondContact O-N 3.41Å; R339-N343 PolarHBondContact O-OD1 2.82Å
340A98Very high97.8Very high49 Ų4936.7 Ų36.741%0.40519%0.19SC..Hα-helixtrans-62.8-45.1176.400000111.9F314 F338 A344F314-A340 HydrophobicContact CE1-CB 3.87Å; F314-A340 HydrophobicContact CZ-CB 3.97Å; F338-A340 PolarHBondContact O-N 3.17Å; A340-A344 VanDerWaalsContact O-CB 3.23Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 2.83Å
341I98.5Very high97.7Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-69.7-44177.3-62.1-71.7000110.7I233 E309 I311 F314 V316 P336 F338 N343 A344 S345I233-I341 HydrophobicContact CD1-CG2 3.67Å; E309-I341 HydrophobicContact CB-CB 4.43Å; E309-I341 HydrophobicContact CB-CD1 4.45Å; E309-I341 HydrophobicContact CB-CG1 3.91Å; E309-I341 HydrophobicContact CB-CG2 4.21Å; I311-I341 HydrophobicContact CD1-CD1 4.29Å; I311-I341 HydrophobicContact CD1-CG2 4.47Å; I311-I341 HydrophobicContact CG1-CD1 4.03Å; I311-I341 HydrophobicContact CG2-CG2 3.83Å; F314-I341 HydrophobicContact CD1-CD1 3.66Å; F314-I341 HydrophobicContact CE1-CD1 4.02Å; F314-I341 HydrophobicContact CG-CD1 4.15Å; V316-I341 HydrophobicContact CB-CD1 4.47Å; V316-I341 HydrophobicContact CB-CG1 4.22Å; V316-I341 HydrophobicContact CG2-CD1 4Å; V316-I341 HydrophobicContact CG2-CG1 3.96Å; P336-I341 HydrophobicContact CB-CB 4.15Å; P336-I341 HydrophobicContact CB-CG2 3.62Å; P336-I341 HydrophobicContact CG-CG2 4.18Å; F338-I341 HydrophobicContact CB-CB 4.35Å; F338-I341 HydrophobicContact CB-CG1 4.12Å; F338-I341 WeakPolarHBondContact O-CA 3.11Å; F338-I341 PolarHBondContact O-N 3.01Å; I341-N343 VanDerWaalsContact C-N 3.29Å; I341-N343 PolarHBondContact O-N 3.04Å; I341-A344 PolarHBondContact O-N 3.43Å; I341-S345 VanDerWaalsContact O-CB 3.31Å; I341-S345 WeakPolarHBondContact O-CB 3.25Å; I341-S345 PolarHBondContact O-N 2.52Å; I341-S345 PolarHBondContact O-OG 3.5Å
342F98.3Very high97.6Very high25 Ų2546.4 Ų46.411%0.1124%0.237CC..Hα-helixtrans-54.1-45.4175.7-172.1-81.9000112.2I335 P336 F338 S345 Q347 L348 V351 F358I335-F342 HydrophobicContact CG2-CD2 3.9Å; I335-F342 HydrophobicContact CG2-CE2 3.63Å; P336-F342 HydrophobicContact CG-CB 3.94Å; P336-F342 HydrophobicContact CG-CD2 3.93Å; P336-F342 HydrophobicContact CG-CG 4.35Å; F338-F342 PolarHBondContact O-N 2.87Å; F342-S345 PolarHBondContact O-OG 3Å; F342-Q347 HydrophobicContact CD1-CB 3.82Å; F342-Q347 HydrophobicContact CD2-CB 3.84Å; F342-Q347 HydrophobicContact CD2-CG 4.18Å; F342-Q347 HydrophobicContact CE1-CB 3.54Å; F342-Q347 HydrophobicContact CE2-CB 3.56Å; F342-Q347 HydrophobicContact CE2-CG 4.19Å; F342-Q347 HydrophobicContact CG-CB 3.95Å; F342-Q347 HydrophobicContact CG-CG 4.46Å; F342-Q347 HydrophobicContact CZ-CB 3.4Å; F342-Q347 HydrophobicContact CZ-CG 4.48Å; F342-Q347 WeakPolarHBondContact O-CB 3.35Å; F342-Q347 PolarHBondContact O-N 2.83Å; F342-L348 HydrophobicContact CD1-CD2 4.26Å; F342-L348 HydrophobicContact CD1-CG 4.27Å; F342-L348 HydrophobicContact CE1-CD2 3.79Å; F342-L348 HydrophobicContact CE1-CG 4.02Å; F342-V351 HydrophobicContact CE1-CG2 4.41Å; F342-V351 HydrophobicContact CZ-CG2 3.82Å; F342-F358 WeakPolarHBondContact CE2-O 3.27Å; F342-F358 WeakPolarHBondContact CZ-O 3.46Å
343N97.7Very high97.5Very high68 Ų6853.3 Ų53.336%0.36427%0.267SS..Hα-helixtrans-70.3-46.7178-67.8-1.9000111.8R339 I341 S345 N346 L348R339-N343 WeakPolarHBondContact O-CB 3.46Å; R339-N343 PolarHBondContact O-N 3.41Å; R339-N343 PolarHBondContact O-OD1 2.82Å; I341-N343 VanDerWaalsContact C-N 3.29Å; I341-N343 PolarHBondContact O-N 3.04Å; N343-S345 VanDerWaalsContact C-N 3.31Å; N343-S345 PolarHBondContact O-N 3.17Å; N343-N346 PolarHBondContact O-N 3.25Å; N343-N346 VanDerWaalsContact O-N 3.15Å; N343-L348 HydrophobicContact CB-CD1 4.41Å; N343-L348 WeakPolarHBondContact OD1-CD1 3.19Å
344A97.9Very high97.3Very high34 Ų3456.1 Ų56.128%0.28128%0.278SS..Hα-helixtrans-68.8-27.6-174.900000113.7N237 I311 F314 A340 I341 N346N237-A344 WeakPolarHBondContact CB-O 3.39Å; N237-A344 PolarHBondContact ND2-O 3.07Å; I311-A344 HydrophobicContact CD1-CB 3.55Å; F314-A344 HydrophobicContact CD1-CB 4.09Å; F314-A344 HydrophobicContact CE1-CB 4.4Å; A340-A344 VanDerWaalsContact O-CB 3.23Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 2.83Å; I341-A344 PolarHBondContact O-N 3.43Å; A344-N346 PolarHBondContact O-N 2.87Å
345S97.7Very high97.3Very high0 Ų056.2 Ų56.20%029%0.285CS..THydrogen-bonded Turntrans-83.66.7174.458.70000114.1D236 N237 I341 F342 N343 Q347D236-S345 WeakPolarHBondContact CA-O 3.29Å; D236-S345 PolarHBondContact N-O 3.29Å; N237-S345 PolarHBondContact N-O 3.39Å; I341-S345 VanDerWaalsContact O-CB 3.31Å; I341-S345 WeakPolarHBondContact O-CB 3.25Å; I341-S345 PolarHBondContact O-N 2.52Å; I341-S345 PolarHBondContact O-OG 3.5Å; F342-S345 PolarHBondContact O-OG 3Å; N343-S345 VanDerWaalsContact C-N 3.31Å; N343-S345 PolarHBondContact O-N 3.17Å; S345-Q347 PolarHBondContact O-N 2.95Å; S345-Q347 WeakPolarHBondContact OG-CG 3.21Å
346N96.4Very high97.3Very high71 Ų7159.9 Ų59.938%0.3830%0.304SS..THydrogen-bonded Turntrans66.626.5176.7-161.331.5000115.1D236 N237 N343 A344 L348 A349D236-N346 HydrophobicContact CB-CB 4.29Å; D236-N346 PolarHBondContact O-ND2 3.46Å; N237-N346 HydrophobicContact CB-CB 4.04Å; N343-N346 PolarHBondContact O-N 3.25Å; N343-N346 VanDerWaalsContact O-N 3.15Å; A344-N346 PolarHBondContact O-N 2.87Å; N346-L348 VanDerWaalsContact C-N 3.29Å; N346-L348 PolarHBondContact O-N 2.83Å; N346-A349 PolarHBondContact O-N 2.99Å; N346-A349 WeakPolarHBondContact OD1-CB 3.38Å
347Q96.4Very high97.2Very high8 Ų862.5 Ų62.54%0.03731%0.314CS..Hα-helixtrans-69.3-25.5179.8-62.8-54.4-34.200113.5P336 F342 S345 A349 N350 V351P336-Q347 HydrophobicContact CG-CG 4.32Å; F342-Q347 HydrophobicContact CD1-CB 3.82Å; F342-Q347 HydrophobicContact CD2-CB 3.84Å; F342-Q347 HydrophobicContact CD2-CG 4.18Å; F342-Q347 HydrophobicContact CE1-CB 3.54Å; F342-Q347 HydrophobicContact CE2-CB 3.56Å; F342-Q347 HydrophobicContact CE2-CG 4.19Å; F342-Q347 HydrophobicContact CG-CB 3.95Å; F342-Q347 HydrophobicContact CG-CG 4.46Å; F342-Q347 HydrophobicContact CZ-CB 3.4Å; F342-Q347 HydrophobicContact CZ-CG 4.48Å; F342-Q347 WeakPolarHBondContact O-CB 3.35Å; F342-Q347 PolarHBondContact O-N 2.83Å; S345-Q347 PolarHBondContact O-N 2.95Å; S345-Q347 WeakPolarHBondContact OG-CG 3.21Å; Q347-A349 PolarHBondContact O-N 3.48Å; Q347-N350 WeakPolarHBondContact O-CB 3.26Å; Q347-N350 PolarHBondContact O-N 2.73Å; Q347-N350 PolarHBondContact OE1-ND2 2.77Å; Q347-V351 WeakPolarHBondContact O-CG2 3.44Å; Q347-V351 PolarHBondContact O-N 3.3Å
348L96.6Very high97.1Very high97 Ų9759.9 Ų59.951%0.50830%0.304SS..Hα-helixtrans-57.8-37.2174.8-69.1172.6000112.5F342 N343 N346 N350 V351 E352F342-L348 HydrophobicContact CD1-CD2 4.26Å; F342-L348 HydrophobicContact CD1-CG 4.27Å; F342-L348 HydrophobicContact CE1-CD2 3.79Å; F342-L348 HydrophobicContact CE1-CG 4.02Å; N343-L348 HydrophobicContact CB-CD1 4.41Å; N343-L348 WeakPolarHBondContact OD1-CD1 3.19Å; N346-L348 VanDerWaalsContact C-N 3.29Å; N346-L348 PolarHBondContact O-N 2.83Å; L348-N350 VanDerWaalsContact C-N 3.34Å; L348-V351 PolarHBondContact O-N 2.87Å; L348-E352 PolarHBondContact O-N 2.72Å
349A96.8Very high97.1Very high37 Ų3760.3 Ų60.331%0.30631%0.308SS..Hα-helixtrans-67.6-35176.500000112N346 Q347 K353N346-A349 PolarHBondContact O-N 2.99Å; N346-A349 WeakPolarHBondContact OD1-CB 3.38Å; Q347-A349 PolarHBondContact O-N 3.48Å; A349-K353 WeakPolarHBondContact O-CB 3.25Å; A349-K353 PolarHBondContact O-N 3.22Å; A349-K353 VanDerWaalsContact O-N 3.1Å
350N95.4Very high97.1Very high22 Ų2252.5 Ų52.512%0.11828%0.28CS..Hα-helixtrans-68.7-38.6173.9-71.6-31.8000111.7D236 Q347 L348 K353 Y354 F358D236-N350 PolarHBondContact OD2-ND2 2.99Å; Q347-N350 WeakPolarHBondContact O-CB 3.26Å; Q347-N350 PolarHBondContact O-N 2.73Å; Q347-N350 PolarHBondContact OE1-ND2 2.77Å; L348-N350 VanDerWaalsContact C-N 3.34Å; N350-K353 PolarHBondContact O-N 3.12Å; N350-Y354 HydrophobicContact CB-CD2 4.47Å; N350-Y354 WeakPolarHBondContact O-CB 3.38Å; N350-Y354 PolarHBondContact O-N 2.72Å; N350-F358 HydrophobicContact CB-CB 3.87Å; N350-F358 HydrophobicContact CB-CD1 3.46Å; N350-F358 VanDerWaalsContact CB-CD1 3.46Å; N350-F358 HydrophobicContact CB-CD2 4.05Å; N350-F358 HydrophobicContact CB-CE1 3.92Å; N350-F358 HydrophobicContact CB-CE2 4.46Å; N350-F358 HydrophobicContact CB-CG 3.52Å; N350-F358 HydrophobicContact CB-CZ 4.4Å
351V97Very high97Very high39 Ų3956.9 Ų56.924%0.23629%0.292CS..Hα-helixtrans-62-45.3174.31740000111F342 Q347 L348 K353 G355 F358 T359F342-V351 HydrophobicContact CE1-CG2 4.41Å; F342-V351 HydrophobicContact CZ-CG2 3.82Å; Q347-V351 WeakPolarHBondContact O-CG2 3.44Å; Q347-V351 PolarHBondContact O-N 3.3Å; L348-V351 PolarHBondContact O-N 2.87Å; V351-K353 VanDerWaalsContact C-N 3.25Å; V351-K353 PolarHBondContact O-N 2.92Å; V351-G355 WeakPolarHBondContact O-CA 3.41Å; V351-G355 PolarHBondContact O-N 2.91Å; V351-F358 HydrophobicContact CG2-CB 3.93Å; V351-T359 HydrophobicContact CB-CG2 4.34Å; V351-T359 HydrophobicContact CG1-CG2 3.65Å; V351-T359 HydrophobicContact CG2-CG2 3.68Å
352E97.5Very high97Very high177 Ų17760.3 Ų60.383%0.82731%0.311SS*.Hα-helixtrans-59.6-39.2176.3-174.8177.6-175.900111.7L348L348-E352 PolarHBondContact O-N 2.72Å
353K95.8Very high97Very high146 Ų14659.4 Ų59.464%0.63531%0.307SS*.Hα-helixtrans-81.6-38.5-175.2-171.3173.6179.1-173.30114.4A349 N350 V351A349-K353 WeakPolarHBondContact O-CB 3.25Å; A349-K353 PolarHBondContact O-N 3.22Å; A349-K353 VanDerWaalsContact O-N 3.1Å; N350-K353 PolarHBondContact O-N 3.12Å; V351-K353 VanDerWaalsContact C-N 3.25Å; V351-K353 PolarHBondContact O-N 2.92Å
354Y95.3Very high97.1Very high74 Ų7456.9 Ų56.929%0.2929%0.294SS..Hα-helixtrans-126-4.5-168.1-57.1-61.9000113.9N350 F358 F426N350-Y354 HydrophobicContact CB-CD2 4.47Å; N350-Y354 WeakPolarHBondContact O-CB 3.38Å; N350-Y354 PolarHBondContact O-N 2.72Å; Y354-F358 VanDerWaalsContact CB-CE2 3.48Å; Y354-F358 AromaticContact CD2-CD2 3.93Å; Y354-F358 HydrophobicContact CD2-CD2 3.93Å; Y354-F358 AromaticContact CD2-CE2 3.31Å; Y354-F358 HydrophobicContact CD2-CE2 3.31Å; Y354-F358 AromaticContact CD2-CZ 3.83Å; Y354-F358 HydrophobicContact CD2-CZ 3.83Å; Y354-F358 HydrophobicContact CE2-CE2 4.21Å; Y354-F358 HydrophobicContact CE2-CZ 4.34Å; Y354-F358 HydrophobicContact CG-CD2 4.19Å; Y354-F358 AromaticContact CG-CE2 3.67Å; Y354-F358 HydrophobicContact CG-CE2 3.67Å; Y354-F426 AromaticContact CD1-CD1 3.58Å; Y354-F426 HydrophobicContact CD1-CD1 3.58Å; Y354-F426 HydrophobicContact CD1-CE1 4.08Å; Y354-F426 HydrophobicContact CD2-CD1 4.45Å; Y354-F426 HydrophobicContact CE1-CB 4.24Å; Y354-F426 AromaticContact CE1-CD1 3.82Å; Y354-F426 HydrophobicContact CE1-CD1 3.82Å; Y354-F426 HydrophobicContact CE1-CG 4.44Å; Y354-F426 AromaticContact CG-CD1 3.93Å; Y354-F426 HydrophobicContact CG-CD1 3.93Å; Y354-F426 HydrophobicContact CG-CE1 4.1Å
355G96.6Very high97.1Very high29 Ų2956.1 Ų56.130%0.29928%0.284SS..G310 helixtrans75.2-149175.700000114.2V351 W357 F358V351-G355 WeakPolarHBondContact O-CA 3.41Å; V351-G355 PolarHBondContact O-N 2.91Å; G355-W357 PolarHBondContact O-N 2.74Å; G355-F358 PolarHBondContact O-N 2.8Å; G355-F358 VanDerWaalsContact O-N 3.1Å
356D97.6Very high97.1Very high87 Ų8756.3 Ų56.347%0.46529%0.286SS..G310 helixtrans-62.6-12.4-169-80.3-44.3000115.5F358 T359 N362 N363D356-F358 PolarHBondContact O-N 3.17Å; D356-F358 VanDerWaalsContact O-N 3.16Å; D356-T359 WeakPolarHBondContact CA-OG1 3.19Å; D356-T359 PolarHBondContact O-N 2.72Å; D356-T359 VanDerWaalsContact O-N 3.16Å; D356-T359 PolarHBondContact O-OG1 2.91Å; D356-T359 VanDerWaalsContact O-OG1 3.06Å; D356-T359 WeakPolarHBondContact OD1-CG2 3.31Å; D356-T359 PolarHBondContact OD1-OG1 2.92Å; D356-N362 HydrophobicContact CB-CB 3.82Å; D356-N362 CarbonylContact O-C 3.59Å; D356-N362 WeakPolarHBondContact OD1-CB 3.49Å; D356-N362 PolarHBondContact OD1-ND2 3.48Å; D356-N362 VanDerWaalsContact OD1-ND2 3.09Å; D356-N363 WeakPolarHBondContact O-CA 3.44Å; D356-N363 PolarHBondContact O-N 2.61Å
357W97.5Very high97.3Very high56 Ų5655.5 Ų55.521%0.21228%0.281CS..G310 helixtrans-59.4-28.1172.3-161.192.2000112.2G355 N363 E408 N409 F426 A428 L429G355-W357 PolarHBondContact O-N 2.74Å; W357-N363 WeakPolarHBondContact O-CB 3.38Å; W357-E408 HydrophobicContact CZ2-CG 4.1Å; W357-N409 PolarHBondContact NE1-OD1 3.18Å; W357-F426 HydrophobicContact CB-CZ 4.24Å; W357-F426 AromaticContact CD2-CE2 3.87Å; W357-F426 HydrophobicContact CD2-CE2 3.87Å; W357-F426 AromaticContact CD2-CZ 3.49Å; W357-F426 HydrophobicContact CD2-CZ 3.49Å; W357-F426 VanDerWaalsContact CD2-CZ 3.49Å; W357-F426 AromaticContact CE2-CE2 3.94Å; W357-F426 AromaticContact CE2-CZ 3.88Å; W357-F426 AromaticContact CE3-CE2 3.87Å; W357-F426 HydrophobicContact CE3-CE2 3.87Å; W357-F426 AromaticContact CE3-CZ 3.75Å; W357-F426 HydrophobicContact CE3-CZ 3.75Å; W357-F426 AromaticContact CG-CZ 3.72Å; W357-F426 HydrophobicContact CG-CZ 3.72Å; W357-F426 HydrophobicContact CH2-CE2 4.03Å; W357-F426 HydrophobicContact CZ2-CE2 4.03Å; W357-F426 HydrophobicContact CZ2-CZ 4.43Å; W357-F426 AromaticContact CZ3-CE2 3.96Å; W357-F426 HydrophobicContact CZ3-CE2 3.96Å; W357-F426 HydrophobicContact CZ3-CZ 4.31Å; W357-A428 HydrophobicContact CH2-CB 4.25Å; W357-L429 HydrophobicContact CZ2-CD2 4.47Å
358F96.9Very high97.4Very high25 Ų2555.1 Ų55.111%0.1128%0.28CS..G310 helixtrans-1043.4178.9-68.6-93.1000113.7F342 N350 V351 Y354 G355 D356 F426F342-F358 WeakPolarHBondContact CE2-O 3.27Å; F342-F358 WeakPolarHBondContact CZ-O 3.46Å; N350-F358 HydrophobicContact CB-CB 3.87Å; N350-F358 HydrophobicContact CB-CD1 3.46Å; N350-F358 VanDerWaalsContact CB-CD1 3.46Å; N350-F358 HydrophobicContact CB-CD2 4.05Å; N350-F358 HydrophobicContact CB-CE1 3.92Å; N350-F358 HydrophobicContact CB-CE2 4.46Å; N350-F358 HydrophobicContact CB-CG 3.52Å; N350-F358 HydrophobicContact CB-CZ 4.4Å; V351-F358 HydrophobicContact CG2-CB 3.93Å; Y354-F358 VanDerWaalsContact CB-CE2 3.48Å; Y354-F358 AromaticContact CD2-CD2 3.93Å; Y354-F358 HydrophobicContact CD2-CD2 3.93Å; Y354-F358 AromaticContact CD2-CE2 3.31Å; Y354-F358 HydrophobicContact CD2-CE2 3.31Å; Y354-F358 AromaticContact CD2-CZ 3.83Å; Y354-F358 HydrophobicContact CD2-CZ 3.83Å; Y354-F358 HydrophobicContact CE2-CE2 4.21Å; Y354-F358 HydrophobicContact CE2-CZ 4.34Å; Y354-F358 HydrophobicContact CG-CD2 4.19Å; Y354-F358 AromaticContact CG-CE2 3.67Å; Y354-F358 HydrophobicContact CG-CE2 3.67Å; G355-F358 PolarHBondContact O-N 2.8Å; G355-F358 VanDerWaalsContact O-N 3.1Å; D356-F358 PolarHBondContact O-N 3.17Å; D356-F358 VanDerWaalsContact O-N 3.16Å; F358-F426 HydrophobicContact CE2-CD1 4.48Å; F358-F426 AromaticContact CE2-CE1 3.99Å; F358-F426 HydrophobicContact CE2-CE1 3.99Å; F358-F426 HydrophobicContact CE2-CE2 4.28Å; F358-F426 AromaticContact CE2-CZ 3.89Å; F358-F426 HydrophobicContact CE2-CZ 3.89Å; F358-F426 HydrophobicContact CZ-CE2 4.3Å; F358-F426 HydrophobicContact CZ-CZ 4.36Å
359T97.5Very high97.5Very high22 Ų2250.5 Ų50.514%0.13526%0.255CS..SBendtrans-85.2141.4173.1630000110.1I335 V351 D356 E361 N362 N363I335-T359 WeakPolarHBondContact CD1-O 3.33Å; V351-T359 HydrophobicContact CB-CG2 4.34Å; V351-T359 HydrophobicContact CG1-CG2 3.65Å; V351-T359 HydrophobicContact CG2-CG2 3.68Å; D356-T359 WeakPolarHBondContact CA-OG1 3.19Å; D356-T359 PolarHBondContact O-N 2.72Å; D356-T359 VanDerWaalsContact O-N 3.16Å; D356-T359 PolarHBondContact O-OG1 2.91Å; D356-T359 VanDerWaalsContact O-OG1 3.06Å; D356-T359 WeakPolarHBondContact OD1-CG2 3.31Å; D356-T359 PolarHBondContact OD1-OG1 2.92Å; T359-E361 VanDerWaalsContact C-N 3.34Å; T359-E361 PolarHBondContact O-N 2.93Å; T359-N362 WeakPolarHBondContact OG1-CB 3.32Å; T359-N362 PolarHBondContact OG1-N 2.91Å; T359-N363 WeakPolarHBondContact O-CB 3.28Å; T359-N363 PolarHBondContact O-N 2.8Å; T359-N363 PolarHBondContact O-ND2 2.91Å
360H97.5Very high97.5Very high37 Ų3755.1 Ų55.117%0.17127%0.268CS..THydrogen-bonded Turntrans-60.1-44-179.4-178.4-88.5000111.6Y333 I335 P336 Y337 N363 A366Y333-H360 WeakPolarHBondContact CE2-O 3.21Å; Y333-H360 AromaticContact CZ-NE2 3.95Å; Y333-H360 PolarHBondContact OH-CE1 2.93Å; Y333-H360 PolarHBondContact OH-ND1 2.81Å; Y333-H360 PolarHBondContact OH-NE2 3.42Å; Y333-H360 PolarHBondContact OH-O 3.42Å; I335-H360 HydrophobicContact CG2-CB 3.9Å; P336-H360 PolarHBondContact O-CD2 3.29Å; Y337-H360 AromaticContact CD2-CE1 3.76Å; Y337-H360 AromaticContact CD2-NE2 3.87Å; H360-N363 PolarHBondContact O-ND2 3.38Å; H360-A366 VanDerWaalsContact O-CB 3.24Å; H360-A366 WeakPolarHBondContact O-CB 3.43Å
361E97.1Very high97.7Very high140 Ų14058.8 Ų58.865%0.65428%0.281SS*.THydrogen-bonded Turntrans-88.4-24.2-171.5-61.1-175.8175.100115T359T359-E361 VanDerWaalsContact C-N 3.34Å; T359-E361 PolarHBondContact O-N 2.93Å
362N98.2Very high97.8Very high73 Ų7358.4 Ų58.439%0.3928%0.277SS..THydrogen-bonded Turntrans-115.42.1-171.1-51.1-45.7000114.4D356 T359 L367D356-N362 HydrophobicContact CB-CB 3.82Å; D356-N362 CarbonylContact O-C 3.59Å; D356-N362 WeakPolarHBondContact OD1-CB 3.49Å; D356-N362 PolarHBondContact OD1-ND2 3.48Å; D356-N362 VanDerWaalsContact OD1-ND2 3.09Å; T359-N362 WeakPolarHBondContact OG1-CB 3.32Å; T359-N362 PolarHBondContact OG1-N 2.91Å; N362-L367 VanDerWaalsContact O-CD1 3.28Å; N362-L367 WeakPolarHBondContact O-CD1 3.3Å
363N98.2Very high97.8Very high5 Ų553.2 Ų53.23%0.02725%0.25CS..SBendtrans-63.3156.3172.174.682.9000110.7Y333 I335 D356 W357 T359 H360 R365 A366 L367Y333-N363 VanDerWaalsContact CD2-ND2 3.31Å; Y333-N363 WeakPolarHBondContact CD2-ND2 3.36Å; Y333-N363 WeakPolarHBondContact CE2-ND2 3.14Å; I335-N363 HydrophobicContact CD1-CB 3.93Å; D356-N363 WeakPolarHBondContact O-CA 3.44Å; D356-N363 PolarHBondContact O-N 2.61Å; W357-N363 WeakPolarHBondContact O-CB 3.38Å; T359-N363 WeakPolarHBondContact O-CB 3.28Å; T359-N363 PolarHBondContact O-N 2.8Å; T359-N363 PolarHBondContact O-ND2 2.91Å; H360-N363 PolarHBondContact O-ND2 3.38Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 2.94Å; N363-R365 VanDerWaalsContact O-N 3.13Å; N363-R365 WeakPolarHBondContact OD1-CB 3.28Å; N363-R365 PolarHBondContact OD1-N 3.35Å; N363-A366 WeakPolarHBondContact ND2-CB 3.45Å; N363-A366 PolarHBondContact O-N 3.06Å; N363-A366 VanDerWaalsContact O-N 3.17Å; N363-A366 PolarHBondContact OD1-N 2.99Å; N363-A366 VanDerWaalsContact OD1-N 3.07Å; N363-L367 PolarHBondContact O-N 2.04Å; N363-L367 VanDerWaalsContact O-N 3.11Å
364P98.6Very high97.8Very high15 Ų1550.7 Ų50.710%0.09725%0.247CC..Hα-helixtrans-49.5-43.1-177.2-34.139.1000115.1L367 I368 L396 N409P364-L367 PolarHBondContact O-N 3.06Å; P364-I368 WeakPolarHBondContact O-CD1 3.35Å; P364-I368 WeakPolarHBondContact O-CG1 3.06Å; P364-I368 PolarHBondContact O-N 3.22Å; P364-L396 WeakPolarHBondContact CB-O 3.5Å; P364-N409 HydrophobicContact CB-CB 3.75Å; P364-N409 HydrophobicContact CG-CB 3.91Å
365R98.7Very high97.9Very high18 Ų1851.1 Ų51.17%0.06826%0.26CS..Hα-helixtrans-71.4-43.3-177.6-75.4-177.1-72.1-179.72112C158 S159 Y333 N334 N363 L367 I368 F369 A410C158-R365 PolarHBondContact O-NH1 3.1Å; S159-R365 VanDerWaalsContact OG-CD 3.31Å; S159-R365 WeakPolarHBondContact OG-CD 3.48Å; S159-R365 PolarHBondContact OG-NH1 3.19Å; Y333-R365 VanDerWaalsContact C-NH2 3.33Å; Y333-R365 HydrophobicContact CG-CB 4.16Å; Y333-R365 PolarHBondContact O-NH2 3.26Å; N334-R365 VanDerWaalsContact OD1-CZ 3.24Å; N334-R365 PolarHBondContact OD1-NH1 3.08Å; N334-R365 PolarHBondContact OD1-NH2 3.43Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 2.94Å; N363-R365 VanDerWaalsContact O-N 3.13Å; N363-R365 WeakPolarHBondContact OD1-CB 3.28Å; N363-R365 PolarHBondContact OD1-N 3.35Å; R365-L367 VanDerWaalsContact C-N 3.25Å; R365-L367 PolarHBondContact O-N 3.31Å; R365-I368 PolarHBondContact O-N 2.83Å; R365-F369 HydrophobicContact CB-CD2 4.48Å; R365-F369 HydrophobicContact CB-CE2 4.46Å; R365-F369 WeakPolarHBondContact O-CD2 3.34Å; R365-F369 PolarHBondContact O-N 3.33Å; R365-A410 VanDerWaalsContact CD-O 3.28Å; R365-A410 WeakPolarHBondContact CD-O 3.33Å; R365-A410 WeakPolarHBondContact CG-O 3.41Å
366A98.7Very high97.9Very high5 Ų550.1 Ų50.14%0.04125%0.248CC..Hα-helixtrans-54.9-45.3174.400000111.3Y333 H360 N363 F369 K370Y333-A366 HydrophobicContact CE1-CB 3.98Å; Y333-A366 HydrophobicContact CE2-CB 3.87Å; H360-A366 VanDerWaalsContact O-CB 3.24Å; H360-A366 WeakPolarHBondContact O-CB 3.43Å; N363-A366 WeakPolarHBondContact ND2-CB 3.45Å; N363-A366 PolarHBondContact O-N 3.06Å; N363-A366 VanDerWaalsContact O-N 3.17Å; N363-A366 PolarHBondContact OD1-N 2.99Å; N363-A366 VanDerWaalsContact OD1-N 3.07Å; A366-F369 PolarHBondContact O-N 2.86Å; A366-K370 VanDerWaalsContact O-CB 3.26Å; A366-K370 WeakPolarHBondContact O-CB 3.38Å; A366-K370 PolarHBondContact O-N 2.88Å
367L98.8Very high97.8Very high54 Ų5450.7 Ų50.728%0.28325%0.251SS..Hα-helixtrans-67.6-40.8178.9-63.9178.9000112.6N362 N363 P364 R365 K370 R371 L396N362-L367 VanDerWaalsContact O-CD1 3.28Å; N362-L367 WeakPolarHBondContact O-CD1 3.3Å; N363-L367 PolarHBondContact O-N 2.04Å; N363-L367 VanDerWaalsContact O-N 3.11Å; P364-L367 PolarHBondContact O-N 3.06Å; R365-L367 VanDerWaalsContact C-N 3.25Å; R365-L367 PolarHBondContact O-N 3.31Å; L367-K370 PolarHBondContact O-N 3.03Å; L367-R371 WeakPolarHBondContact O-CB 3.04Å; L367-R371 PolarHBondContact O-N 3.22Å; L367-L396 HydrophobicContact CB-CD1 3.81Å; L367-L396 HydrophobicContact CB-CD2 3.91Å; L367-L396 HydrophobicContact CB-CG 4.41Å; L367-L396 HydrophobicContact CD1-CD2 3.88Å
368I98.8Very high97.7Very high0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-63.9-45.3176.8-68.3163.8000110.5P364 R365 R371 N372 Y388 L396 I411P364-I368 WeakPolarHBondContact O-CD1 3.35Å; P364-I368 WeakPolarHBondContact O-CG1 3.06Å; P364-I368 PolarHBondContact O-N 3.22Å; R365-I368 PolarHBondContact O-N 2.83Å; I368-R371 PolarHBondContact O-N 3.38Å; I368-N372 WeakPolarHBondContact O-CB 3.41Å; I368-N372 PolarHBondContact O-N 2.89Å; I368-Y388 HydrophobicContact CD1-CE1 4.44Å; I368-Y388 HydrophobicContact CG2-CD1 3.75Å; I368-Y388 HydrophobicContact CG2-CE1 3.96Å; I368-L396 HydrophobicContact CB-CD1 4.43Å; I368-L396 HydrophobicContact CD1-CB 4.36Å; I368-L396 HydrophobicContact CG1-CB 3.85Å; I368-L396 HydrophobicContact CG1-CD1 3.7Å; I368-L396 HydrophobicContact CG1-CG 4.45Å; I368-I411 HydrophobicContact CG2-CD1 3.63Å; I368-I411 HydrophobicContact CG2-CG1 3.9Å
369F98.7Very high97.7Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-60.1-50.3175.1-78.5-59.9000111.2F161 Y329 A331 Y333 R365 A366 R371 N372 W373 L385 M386 I411F161-F369 HydrophobicContact CB-CE1 3.86Å; F161-F369 HydrophobicContact CB-CZ 4.38Å; F161-F369 AromaticContact CD2-CD1 3.64Å; F161-F369 HydrophobicContact CD2-CD1 3.64Å; F161-F369 AromaticContact CD2-CE1 3.8Å; F161-F369 HydrophobicContact CD2-CE1 3.8Å; F161-F369 HydrophobicContact CE2-CD1 4.14Å; F161-F369 HydrophobicContact CG-CD1 4.31Å; F161-F369 HydrophobicContact CG-CE1 4.04Å; Y329-F369 HydrophobicContact CE2-CB 4.16Å; A331-F369 HydrophobicContact CB-CB 3.94Å; A331-F369 HydrophobicContact CB-CD1 4.17Å; A331-F369 HydrophobicContact CB-CD2 3.54Å; A331-F369 HydrophobicContact CB-CE2 4.01Å; A331-F369 HydrophobicContact CB-CG 3.63Å; Y333-F369 AromaticContact CD1-CD2 3.95Å; Y333-F369 HydrophobicContact CD1-CD2 3.95Å; Y333-F369 HydrophobicContact CD1-CE2 4.12Å; Y333-F369 HydrophobicContact CE1-CD2 4.46Å; R365-F369 HydrophobicContact CB-CD2 4.48Å; R365-F369 HydrophobicContact CB-CE2 4.46Å; R365-F369 WeakPolarHBondContact O-CD2 3.34Å; R365-F369 PolarHBondContact O-N 3.33Å; A366-F369 PolarHBondContact O-N 2.86Å; F369-R371 VanDerWaalsContact C-N 3.25Å; F369-R371 PolarHBondContact O-N 3.06Å; F369-N372 PolarHBondContact O-N 3.37Å; F369-N372 VanDerWaalsContact O-N 3.11Å; F369-W373 WeakPolarHBondContact O-CB 3.45Å; F369-W373 PolarHBondContact O-N 2.82Å; F369-L385 HydrophobicContact CD1-CD2 4.17Å; F369-L385 HydrophobicContact CE1-CD2 4.33Å; F369-L385 HydrophobicContact CE1-CG 4.43Å; F369-M386 HydrophobicContact CE1-SD 3.86Å; F369-M386 HydrophobicContact CZ-SD 4.13Å; F369-I411 HydrophobicContact CD1-CD1 3.74Å; F369-I411 HydrophobicContact CD1-CG1 4.47Å; F369-I411 HydrophobicContact CE1-CD1 3.48Å; F369-I411 VanDerWaalsContact CE1-CD1 3.48Å; F369-I411 HydrophobicContact CE1-CG1 4.03Å; F369-I411 HydrophobicContact CE1-CG2 4.16Å; F369-I411 HydrophobicContact CE2-CD1 4.38Å; F369-I411 HydrophobicContact CE2-CG1 4.11Å; F369-I411 HydrophobicContact CG-CD1 4.29Å; F369-I411 HydrophobicContact CZ-CB 4.42Å; F369-I411 HydrophobicContact CZ-CD1 3.84Å; F369-I411 HydrophobicContact CZ-CG1 3.84Å; F369-I411 HydrophobicContact CZ-CG2 3.71Å
370K98.5Very high97.7Very high133 Ų13360.7 Ų60.758%0.57829%0.293SS*.Hα-helixtrans-57.1-38.2179.3-174.9174.3-177.7173.60112.6Y329 A366 L367Y329-K370 WeakPolarHBondContact OH-CA 3.49Å; A366-K370 VanDerWaalsContact O-CB 3.26Å; A366-K370 WeakPolarHBondContact O-CB 3.38Å; A366-K370 PolarHBondContact O-N 2.88Å; L367-K370 PolarHBondContact O-N 3.03Å
371R98.4Very high97.7Very high100 Ų10060 Ų6038%0.37729%0.293SS..Hα-helixtrans-70.7-38.9177.3-172.7-17466.8-160.2-8.1112.7L367 I368 F369 D394L367-R371 WeakPolarHBondContact O-CB 3.04Å; L367-R371 PolarHBondContact O-N 3.22Å; I368-R371 PolarHBondContact O-N 3.38Å; F369-R371 VanDerWaalsContact C-N 3.25Å; F369-R371 PolarHBondContact O-N 3.06Å; R371-D394 IonicContact CZ-OD1 2.74Å; R371-D394 IonicContact CZ-OD2 2.89Å; R371-D394 VanDerWaalsContact NH1-CG 3.34Å; R371-D394 IonicContact NH1-OD1 3.44Å; R371-D394 PolarHBondContact NH1-OD1 2.81Å; R371-D394 IonicContact NH1-OD2 3.33Å; R371-D394 PolarHBondContact NH1-OD2 2.93Å; R371-D394 IonicContact NH2-OD1 3.18Å; R371-D394 IonicContact NH2-OD2 3.21Å; R371-D394 PolarHBondContact NH2-OD2 3.24Å
372N98.3Very high97.8Very high30 Ų3053.4 Ų53.416%0.1626%0.261CS..Hα-helixtrans-110.3-9.2-162.3-68.93000115.2I368 F369 T374 C375 L385I368-N372 WeakPolarHBondContact O-CB 3.41Å; I368-N372 PolarHBondContact O-N 2.89Å; F369-N372 PolarHBondContact O-N 3.37Å; F369-N372 VanDerWaalsContact O-N 3.11Å; N372-T374 VanDerWaalsContact C-N 3.27Å; N372-T374 PolarHBondContact O-N 2.83Å; N372-C375 VanDerWaalsContact O-CB 3.32Å; N372-C375 WeakPolarHBondContact O-CB 3.43Å; N372-C375 PolarHBondContact O-N 2.78Å; N372-L385 HydrophobicContact CB-CD1 3.65Å
373W97.5Very high97.8Very high68 Ų6851 Ų5126%0.25825%0.249SC..G310 helixtrans-58.7-36.7-171.776-92.3000113.4F161 L163 Y329 F369 C375 V376F161-W373 HydrophobicContact CE2-CB 3.84Å; F161-W373 HydrophobicContact CZ-CB 3.73Å; L163-W373 HydrophobicContact CD1-CE3 3.87Å; L163-W373 HydrophobicContact CD1-CZ3 4.14Å; Y329-W373 HydrophobicContact CD1-CB 4Å; Y329-W373 AromaticContact CD1-CD1 3.64Å; Y329-W373 AromaticContact CD1-CD2 3.56Å; Y329-W373 HydrophobicContact CD1-CD2 3.56Å; Y329-W373 AromaticContact CD1-CE2 3.78Å; Y329-W373 HydrophobicContact CD1-CE3 4.17Å; Y329-W373 AromaticContact CD1-CG 3.47Å; Y329-W373 HydrophobicContact CD1-CG 3.47Å; Y329-W373 VanDerWaalsContact CD1-CG 3.47Å; Y329-W373 AromaticContact CD1-NE1 3.81Å; Y329-W373 HydrophobicContact CD2-CB 4.46Å; Y329-W373 HydrophobicContact CE1-CB 4.35Å; Y329-W373 AromaticContact CE1-CD1 3.43Å; Y329-W373 VanDerWaalsContact CE1-CD1 3.43Å; Y329-W373 HydrophobicContact CE1-CD2 4.15Å; Y329-W373 AromaticContact CE1-CG 3.74Å; Y329-W373 HydrophobicContact CE1-CG 3.74Å; Y329-W373 AromaticContact CE1-NE1 3.65Å; Y329-W373 HydrophobicContact CG-CB 4.06Å; Y329-W373 HydrophobicContact CG-CD2 4.23Å; Y329-W373 HydrophobicContact CG-CG 4.02Å; F369-W373 WeakPolarHBondContact O-CB 3.45Å; F369-W373 PolarHBondContact O-N 2.82Å; W373-C375 PolarHBondContact O-N 3.18Å; W373-V376 PolarHBondContact O-N 2.87Å; W373-V376 VanDerWaalsContact O-N 3.13Å
374T96.6Very high97.8Very high94 Ų9455.6 Ų55.658%0.57727%0.266SS*.G310 helixtrans-68.1-13.7178.954.60000113.8N372 V376N372-T374 VanDerWaalsContact C-N 3.27Å; N372-T374 PolarHBondContact O-N 2.83Å; T374-V376 VanDerWaalsContact C-N 3.28Å
375C96.8Very high97.8Very high82 Ų8255.4 Ų55.455%0.55426%0.264SS*.G310 helixtrans-79-12.4175-590000112.8N372 W373 N377N372-C375 VanDerWaalsContact O-CB 3.32Å; N372-C375 WeakPolarHBondContact O-CB 3.43Å; N372-C375 PolarHBondContact O-N 2.78Å; W373-C375 PolarHBondContact O-N 3.18Å; C375-N377 PolarHBondContact O-ND2 3.31Å
376V97.3Very high97.8Very high9 Ų954.6 Ų54.66%0.05526%0.26CS..  trans-85.3114.8179-179.20000109.6F161 L163 F172 W373 T374 L382 L385F161-V376 HydrophobicContact CE1-CG2 4.28Å; L163-V376 HydrophobicContact CD2-CB 3.73Å; L163-V376 HydrophobicContact CD2-CG1 3.54Å; F172-V376 HydrophobicContact CD2-CG1 4.05Å; F172-V376 HydrophobicContact CE2-CG1 4.27Å; W373-V376 PolarHBondContact O-N 2.87Å; W373-V376 VanDerWaalsContact O-N 3.13Å; T374-V376 VanDerWaalsContact C-N 3.28Å; V376-L382 HydrophobicContact CG1-CB 3.75Å; V376-L382 HydrophobicContact CG1-CD1 4.11Å; V376-L385 HydrophobicContact CG2-CB 3.95Å; V376-L385 HydrophobicContact CG2-CD2 3.54Å; V376-L385 HydrophobicContact CG2-CG 4.37Å
377N95Very high97.8Very high99 Ų9954.4 Ų54.453%0.52926%0.259SS..  trans-131.2-10.6178.955.775.9000113.3M165 C375 S381M165-N377 WeakPolarHBondContact CE-O 3.2Å; C375-N377 PolarHBondContact O-ND2 3.31Å; N377-S381 PolarHBondContact N-OG 2.56Å
378D95.8Very high97.8Very high68 Ų6853.3 Ų53.336%0.36425%0.251SS..SBendtrans-150.4173.6179.266.414.3000110.7R380 S381 L382D378-R380 PolarHBondContact O-N 3.1Å; D378-R380 PolarHBondContact OD1-N 3.41Å; D378-R380 VanDerWaalsContact OD1-N 3.12Å; D378-S381 PolarHBondContact N-OG 2.8Å; D378-S381 PolarHBondContact O-N 3.24Å; D378-S381 PolarHBondContact O-OG 3.41Å; D378-S381 WeakPolarHBondContact OD1-CB 3.42Å; D378-S381 PolarHBondContact OD1-N 2.93Å; D378-S381 PolarHBondContact OD1-OG 3.13Å; D378-L382 WeakPolarHBondContact O-CB 3.43Å; D378-L382 PolarHBondContact O-N 3.41Å
379M96.7Very high97.8Very high39 Ų3953.3 Ų53.319%0.19225%0.251CS..Hα-helixtrans-61.1-29.7179.2-173.559.267.300112.5F172 L382 I383 A441 N443 L446 V453F172-M379 HydrophobicContact CD1-CE 4.36Å; F172-M379 HydrophobicContact CE1-CE 4.37Å; M379-L382 HydrophobicContact CE-CD2 4.42Å; M379-L382 HydrophobicContact SD-CD2 3.85Å; M379-I383 HydrophobicContact CG-CD1 4.12Å; M379-I383 WeakPolarHBondContact O-CB 3.38Å; M379-I383 WeakPolarHBondContact O-CD1 3.4Å; M379-I383 WeakPolarHBondContact O-CG1 3.35Å; M379-I383 PolarHBondContact O-N 3.11Å; M379-A441 HydrophobicContact CE-CB 4.44Å; M379-A441 HydrophobicContact SD-CB 3.72Å; M379-N443 HydrophobicContact CE-CB 4.27Å; M379-L446 HydrophobicContact CE-CD1 4.2Å; M379-V453 HydrophobicContact CE-CG2 4.48Å; M379-V453 HydrophobicContact CG-CG2 3.89Å; M379-V453 HydrophobicContact SD-CB 4.44Å; M379-V453 HydrophobicContact SD-CG2 3.95Å
380R97.3Very high97.8Very high206 Ų20655.3 Ų55.378%0.77726%0.262SS*.Hα-helixtrans-72.3-45.6-178.8-177.2-179.2178.7178.3-0.7111.5D378 L382 I383 R384D378-R380 PolarHBondContact O-N 3.1Å; D378-R380 PolarHBondContact OD1-N 3.41Å; D378-R380 VanDerWaalsContact OD1-N 3.12Å; R380-L382 VanDerWaalsContact C-N 3.33Å; R380-I383 PolarHBondContact O-N 3.33Å; R380-R384 PolarHBondContact O-N 3.33Å
381S98Very high97.8Very high23 Ų2349 Ų4916%0.16123%0.234CC..Hα-helixtrans-67.1-34.5175.451.30000111.5N377 D378 R384 L385N377-S381 PolarHBondContact N-OG 2.56Å; D378-S381 PolarHBondContact N-OG 2.8Å; D378-S381 PolarHBondContact O-N 3.24Å; D378-S381 PolarHBondContact O-OG 3.41Å; D378-S381 WeakPolarHBondContact OD1-CB 3.42Å; D378-S381 PolarHBondContact OD1-N 2.93Å; D378-S381 PolarHBondContact OD1-OG 3.13Å; S381-R384 PolarHBondContact O-N 3.03Å; S381-L385 PolarHBondContact O-N 3.16Å
382L98.4Very high97.8Very high0 Ų050.7 Ų50.70%024%0.244CC..Hα-helixtrans-60.2-50.4169.7178.765.8000111.7F161 F172 V376 D378 M379 R380 R384 L385 M386 A441F161-L382 HydrophobicContact CD1-CD1 3.64Å; F161-L382 HydrophobicContact CE1-CD1 4.12Å; F172-L382 HydrophobicContact CB-CD2 3.76Å; F172-L382 HydrophobicContact CD2-CB 4.44Å; F172-L382 HydrophobicContact CD2-CD2 4.09Å; F172-L382 HydrophobicContact CG-CD2 3.89Å; V376-L382 HydrophobicContact CG1-CB 3.75Å; V376-L382 HydrophobicContact CG1-CD1 4.11Å; D378-L382 WeakPolarHBondContact O-CB 3.43Å; D378-L382 PolarHBondContact O-N 3.41Å; M379-L382 HydrophobicContact CE-CD2 4.42Å; M379-L382 HydrophobicContact SD-CD2 3.85Å; R380-L382 VanDerWaalsContact C-N 3.33Å; L382-R384 VanDerWaalsContact C-N 3.27Å; L382-R384 PolarHBondContact O-N 3.35Å; L382-L385 PolarHBondContact O-N 3.33Å; L382-M386 HydrophobicContact CD1-CG 4.17Å; L382-M386 WeakPolarHBondContact O-CG 3.38Å; L382-M386 PolarHBondContact O-N 2.75Å; L382-A441 HydrophobicContact CD2-CB 3.85Å
383I98.7Very high97.8Very high24 Ų2454.2 Ų54.212%0.12327%0.267CS..Hα-helixtrans-56.9-44.7176.4-71.7161.9000110.4M379 R380 L385 M386 R387 L439 V453 I455 P490M379-I383 HydrophobicContact CG-CD1 4.12Å; M379-I383 WeakPolarHBondContact O-CB 3.38Å; M379-I383 WeakPolarHBondContact O-CD1 3.4Å; M379-I383 WeakPolarHBondContact O-CG1 3.35Å; M379-I383 PolarHBondContact O-N 3.11Å; R380-I383 PolarHBondContact O-N 3.33Å; I383-L385 PolarHBondContact O-N 3.31Å; I383-M386 PolarHBondContact O-N 3.21Å; I383-R387 HydrophobicContact CG2-CG 4.11Å; I383-R387 VanDerWaalsContact O-CB 3.3Å; I383-R387 WeakPolarHBondContact O-CB 3.14Å; I383-R387 WeakPolarHBondContact O-CG 3.34Å; I383-R387 PolarHBondContact O-N 3.1Å; I383-L439 HydrophobicContact CB-CD1 4.35Å; I383-L439 HydrophobicContact CG1-CD1 4.31Å; I383-L439 HydrophobicContact CG1-CD2 4.06Å; I383-L439 HydrophobicContact CG2-CD1 4.3Å; I383-V453 HydrophobicContact CD1-CG1 3.87Å; I383-I455 HydrophobicContact CG2-CD1 3.58Å; I383-P490 HydrophobicContact CD1-CB 4.26Å
384R98.6Very high97.8Very high101 Ų10151.4 Ų51.438%0.38126%0.257SS..Hα-helixtrans-60.6-43.2178.9179.458.6176.1-170.82.4112.3R380 S381 L382 Y388 D461 D462R380-R384 PolarHBondContact O-N 3.33Å; S381-R384 PolarHBondContact O-N 3.03Å; L382-R384 VanDerWaalsContact C-N 3.27Å; L382-R384 PolarHBondContact O-N 3.35Å; R384-Y388 PolarHBondContact O-N 3.21Å; R384-D461 VanDerWaalsContact CD-OD2 3.23Å; R384-D461 WeakPolarHBondContact CD-OD2 3.39Å; R384-D461 IonicContact CZ-OD2 3.56Å; R384-D461 IonicContact NE-OD2 3.88Å; R384-D461 VanDerWaalsContact NH1-CB 3.28Å; R384-D461 IonicContact NH1-OD2 3.45Å; R384-D461 PolarHBondContact NH1-OD2 3.24Å; R384-D462 IonicContact CZ-OD1 3.52Å; R384-D462 IonicContact CZ-OD2 3.72Å; R384-D462 IonicContact NH1-OD1 3.27Å; R384-D462 IonicContact NH1-OD2 3.21Å; R384-D462 IonicContact NH2-OD1 2.77Å; R384-D462 PolarHBondContact NH2-OD1 3.05Å; R384-D462 IonicContact NH2-OD2 2.7Å; R384-D462 PolarHBondContact NH2-OD2 2.72Å
385L98.8Very high97.9Very high11 Ų1151.8 Ų51.86%0.05826%0.261CS..Hα-helixtrans-63.8-49.2176.6177.763.3000111.1F161 F369 N372 V376 S381 L382 I383 R387 Y388 I411F161-L385 HydrophobicContact CD1-CD2 4.19Å; F161-L385 HydrophobicContact CE1-CD2 3.98Å; F161-L385 HydrophobicContact CE2-CD2 4.33Å; F161-L385 HydrophobicContact CG-CD2 4.45Å; F161-L385 HydrophobicContact CZ-CD2 4.07Å; F369-L385 HydrophobicContact CD1-CD2 4.17Å; F369-L385 HydrophobicContact CE1-CD2 4.33Å; F369-L385 HydrophobicContact CE1-CG 4.43Å; N372-L385 HydrophobicContact CB-CD1 3.65Å; V376-L385 HydrophobicContact CG2-CB 3.95Å; V376-L385 HydrophobicContact CG2-CD2 3.54Å; V376-L385 HydrophobicContact CG2-CG 4.37Å; S381-L385 PolarHBondContact O-N 3.16Å; L382-L385 PolarHBondContact O-N 3.33Å; I383-L385 PolarHBondContact O-N 3.31Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.17Å; L385-Y388 WeakPolarHBondContact O-CB 3.16Å; L385-Y388 PolarHBondContact O-N 3.3Å; L385-I411 HydrophobicContact CD1-CD1 3.41Å; L385-I411 VanDerWaalsContact CD1-CD1 3.41Å; L385-I411 HydrophobicContact CG-CD1 3.83Å; L385-I411 WeakPolarHBondContact O-CD1 3.36Å
386M98.8Very high98Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-70.7-25.8-175.6-67.6-55.7-73.900112.6S159 F161 S174 V176 F369 L382 I383 Y388 I411 S412 L439S159-M386 VanDerWaalsContact O-CE 3.31Å; S159-M386 WeakPolarHBondContact O-CE 3.2Å; F161-M386 HydrophobicContact CB-CE 4.06Å; F161-M386 HydrophobicContact CB-SD 3.43Å; F161-M386 WeakPolarHBondContact CB-SD 3.28Å; F161-M386 HydrophobicContact CG-SD 4.31Å; S174-M386 WeakPolarHBondContact OG-CG 3.46Å; V176-M386 HydrophobicContact CB-CE 4.39Å; V176-M386 HydrophobicContact CG2-CB 3.88Å; V176-M386 HydrophobicContact CG2-CE 3.81Å; V176-M386 WeakPolarHBondContact CG2-O 3.3Å; F369-M386 HydrophobicContact CE1-SD 3.86Å; F369-M386 HydrophobicContact CZ-SD 4.13Å; L382-M386 HydrophobicContact CD1-CG 4.17Å; L382-M386 WeakPolarHBondContact O-CG 3.38Å; L382-M386 PolarHBondContact O-N 2.75Å; I383-M386 PolarHBondContact O-N 3.21Å; M386-Y388 VanDerWaalsContact C-N 3.31Å; M386-I411 HydrophobicContact CE-CG2 4.45Å; M386-I411 HydrophobicContact SD-CG2 4.11Å; M386-S412 WeakPolarHBondContact O-CB 3.17Å; M386-L439 HydrophobicContact CB-CD1 3.37Å; M386-L439 HydrophobicContact CB-CG 4.39Å; M386-L439 HydrophobicContact CG-CD1 4.4Å
387R98.7Very high98Very high2 Ų249.5 Ų49.51%0.00824%0.243CC..THydrogen-bonded Turntrans-87.53.8171.7-61.4-67.7-72.9176.2-13.4113.3I383 L385 N389 D438 L439 I455 G457 P458 T459I383-R387 HydrophobicContact CG2-CG 4.11Å; I383-R387 VanDerWaalsContact O-CB 3.3Å; I383-R387 WeakPolarHBondContact O-CB 3.14Å; I383-R387 WeakPolarHBondContact O-CG 3.34Å; I383-R387 PolarHBondContact O-N 3.1Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.17Å; R387-N389 PolarHBondContact O-N 3.39Å; R387-D438 PolarHBondContact NH1-O 3.42Å; R387-L439 HydrophobicContact CG-CB 4.49Å; R387-L439 HydrophobicContact CG-CD1 3.79Å; R387-I455 HydrophobicContact CG-CD1 4.19Å; R387-G457 VanDerWaalsContact CZ-O 3.31Å; R387-G457 PolarHBondContact NH1-O 3.16Å; R387-G457 PolarHBondContact NH2-O 3.41Å; R387-P458 PolarHBondContact NH2-O 3.31Å; R387-T459 VanDerWaalsContact CZ-CA 3.47Å; R387-T459 VanDerWaalsContact NH2-CA 3.28Å; R387-T459 VanDerWaalsContact O-CB 3.26Å; R387-T459 WeakPolarHBondContact O-CB 3.33Å; R387-T459 PolarHBondContact O-OG1 3.32Å
388Y98.8Very high98.2Very high30 Ų3047.5 Ų47.512%0.11824%0.24CC..  trans-67.7123-170.7-177.7-105.4000112.7I368 R384 L385 M386 N390 D394 I411 S412I368-Y388 HydrophobicContact CD1-CE1 4.44Å; I368-Y388 HydrophobicContact CG2-CD1 3.75Å; I368-Y388 HydrophobicContact CG2-CE1 3.96Å; R384-Y388 PolarHBondContact O-N 3.21Å; L385-Y388 WeakPolarHBondContact O-CB 3.16Å; L385-Y388 PolarHBondContact O-N 3.3Å; M386-Y388 VanDerWaalsContact C-N 3.31Å; Y388-N390 HydrophobicContact CE2-CB 4.08Å; Y388-D394 VanDerWaalsContact CE1-OD2 3.28Å; Y388-D394 WeakPolarHBondContact CE1-OD2 3.45Å; Y388-D394 PolarHBondContact OH-OD2 2.91Å; Y388-I411 PolarHBondContact O-N 2.98Å; Y388-S412 PolarHBondContact O-N 3.27Å
389N98.8Very high98.2Very high0 Ų045.5 Ų45.50%023%0.231CC..  trans-155.8108.6165.2-169.8-26000109.7R387 F391 A407 A410 S412 R414 T459 L463R387-N389 PolarHBondContact O-N 3.39Å; N389-F391 WeakPolarHBondContact OD1-CB 3.25Å; N389-F391 WeakPolarHBondContact OD1-CD1 3.39Å; N389-F391 PolarHBondContact OD1-N 3.42Å; N389-A407 PolarHBondContact ND2-O 3.13Å; N389-A407 VanDerWaalsContact ND2-O 3.09Å; N389-A410 HydrophobicContact CB-CB 3.66Å; N389-A410 WeakPolarHBondContact ND2-CB 3.27Å; N389-S412 WeakPolarHBondContact CB-O 3.27Å; N389-S412 PolarHBondContact ND2-O 2.67Å; N389-R414 PolarHBondContact ND2-N 3.17Å; N389-T459 HydrophobicContact CB-CG2 3.72Å; N389-L463 HydrophobicContact CB-CD1 3.73Å; N389-L463 WeakPolarHBondContact O-CD1 3.45Å; N389-L463 WeakPolarHBondContact O-CG 3.2Å
390N98.2Very high98.2Very high42 Ų4251.2 Ų51.223%0.22526%0.262CS..  trans-128.847.9174.6-168.18.2000110.2Y388 K392 V393 D394 D462Y388-N390 HydrophobicContact CE2-CB 4.08Å; N390-K392 PolarHBondContact O-N 3.3Å; N390-V393 PolarHBondContact O-N 3.11Å; N390-D394 PolarHBondContact O-N 3.04Å; N390-D462 HydrophobicContact CB-CB 4.24Å
391F98.6Very high98.1Very high2 Ų242 Ų421%0.00923%0.229CC..THydrogen-bonded Turntrans-59.6-20.2-16473.5-81.2000116.6N389 V393 S397 Y405 A407 L417 L463N389-F391 WeakPolarHBondContact OD1-CB 3.25Å; N389-F391 WeakPolarHBondContact OD1-CD1 3.39Å; N389-F391 PolarHBondContact OD1-N 3.42Å; F391-V393 VanDerWaalsContact C-N 3.32Å; F391-S397 VanDerWaalsContact CA-CB 3.5Å; F391-S397 WeakPolarHBondContact CA-OG 3.31Å; F391-S397 WeakPolarHBondContact O-CB 3.35Å; F391-Y405 AromaticContact CD2-CD2 3.5Å; F391-Y405 HydrophobicContact CD2-CD2 3.5Å; F391-Y405 VanDerWaalsContact CD2-CD2 3.5Å; F391-Y405 HydrophobicContact CD2-CE2 4Å; F391-Y405 HydrophobicContact CD2-CG 4.23Å; F391-Y405 AromaticContact CE2-CD2 3.59Å; F391-Y405 HydrophobicContact CE2-CD2 3.59Å; F391-Y405 AromaticContact CE2-CE2 3.61Å; F391-Y405 HydrophobicContact CE2-CE2 3.61Å; F391-Y405 WeakPolarHBondContact O-CB 3.39Å; F391-A407 HydrophobicContact CB-CB 4.46Å; F391-A407 HydrophobicContact CD1-CB 3.72Å; F391-A407 HydrophobicContact CD2-CB 3.86Å; F391-A407 HydrophobicContact CE1-CB 3.78Å; F391-A407 HydrophobicContact CE2-CB 3.91Å; F391-A407 HydrophobicContact CG-CB 3.75Å; F391-A407 HydrophobicContact CZ-CB 3.86Å; F391-L417 HydrophobicContact CE1-CB 4.08Å; F391-L417 HydrophobicContact CE1-CD1 4.13Å; F391-L417 HydrophobicContact CZ-CB 3.92Å; F391-L463 HydrophobicContact CD1-CD1 4.39Å; F391-L463 HydrophobicContact CD1-CD2 3.95Å; F391-L463 HydrophobicContact CE1-CD1 4.46Å; F391-L463 HydrophobicContact CE1-CD2 3.7Å
392K97.7Very high98.1Very high135 Ų13545 Ų4559%0.58725%0.247SC*.THydrogen-bonded Turntrans-80.1-16.3177-64.4-174.6179.8-179.20113N390 Y405N390-K392 PolarHBondContact O-N 3.3Å; K392-Y405 HydrophobicContact CG-CE2 4.26Å
393V97.9Very high98.1Very high104 Ų10446.2 Ų46.263%0.6326%0.255SS*.THydrogen-bonded Turntrans-119.8-37.1-173.6-176.20000111.5N390 F391 P395N390-V393 PolarHBondContact O-N 3.11Å; F391-V393 VanDerWaalsContact C-N 3.32Å; V393-P395 WeakPolarHBondContact O-CD 3.42Å
394D98.3Very high98Very high9 Ų949.2 Ų49.25%0.04828%0.276CS..  trans-69.6118.9-178.8-167.7-17.6000111R371 Y388 N390 L396 S397R371-D394 IonicContact CZ-OD1 2.74Å; R371-D394 IonicContact CZ-OD2 2.89Å; R371-D394 VanDerWaalsContact NH1-CG 3.34Å; R371-D394 IonicContact NH1-OD1 3.44Å; R371-D394 PolarHBondContact NH1-OD1 2.81Å; R371-D394 IonicContact NH1-OD2 3.33Å; R371-D394 PolarHBondContact NH1-OD2 2.93Å; R371-D394 IonicContact NH2-OD1 3.18Å; R371-D394 IonicContact NH2-OD2 3.21Å; R371-D394 PolarHBondContact NH2-OD2 3.24Å; Y388-D394 VanDerWaalsContact CE1-OD2 3.28Å; Y388-D394 WeakPolarHBondContact CE1-OD2 3.45Å; Y388-D394 PolarHBondContact OH-OD2 2.91Å; N390-D394 PolarHBondContact O-N 3.04Å; D394-L396 PolarHBondContact O-N 3.08Å; D394-L396 WeakPolarHBondContact OD1-CB 3.28Å; D394-L396 PolarHBondContact OD1-N 3.13Å; D394-S397 WeakPolarHBondContact O-CB 3.13Å; D394-S397 PolarHBondContact O-N 3.45Å
395P98.3Very high98Very high102 Ų10247.8 Ų47.866%0.66227%0.27SS*.G310 helixtrans-61.1-23.5176.825.5-36000113.3V393 S397 A398V393-P395 WeakPolarHBondContact O-CD 3.42Å; P395-S397 PolarHBondContact O-N 2.69Å; P395-A398 VanDerWaalsContact O-CB 3.3Å; P395-A398 WeakPolarHBondContact O-CB 3.19Å; P395-A398 PolarHBondContact O-N 2.71Å
396L98.6Very high98Very high43 Ų4347.2 Ų47.223%0.22527%0.268CS..G310 helixtrans-73.1-12.8175.7-61.6180000112.8P364 L367 I368 D394 A398P364-L396 WeakPolarHBondContact CB-O 3.5Å; L367-L396 HydrophobicContact CB-CD1 3.81Å; L367-L396 HydrophobicContact CB-CD2 3.91Å; L367-L396 HydrophobicContact CB-CG 4.41Å; L367-L396 HydrophobicContact CD1-CD2 3.88Å; I368-L396 HydrophobicContact CB-CD1 4.43Å; I368-L396 HydrophobicContact CD1-CB 4.36Å; I368-L396 HydrophobicContact CG1-CB 3.85Å; I368-L396 HydrophobicContact CG1-CD1 3.7Å; I368-L396 HydrophobicContact CG1-CG 4.45Å; D394-L396 PolarHBondContact O-N 3.08Å; D394-L396 WeakPolarHBondContact OD1-CB 3.28Å; D394-L396 PolarHBondContact OD1-N 3.13Å; L396-A398 VanDerWaalsContact C-N 3.31Å
397S98.6Very high98Very high0 Ų047.2 Ų47.20%027%0.268CS..G310 helixtrans-87-1.2174.5-59.20000113.8F391 D394 P395 Y405 S406 N409F391-S397 VanDerWaalsContact CA-CB 3.5Å; F391-S397 WeakPolarHBondContact CA-OG 3.31Å; F391-S397 WeakPolarHBondContact O-CB 3.35Å; D394-S397 WeakPolarHBondContact O-CB 3.13Å; D394-S397 PolarHBondContact O-N 3.45Å; P395-S397 PolarHBondContact O-N 2.69Å; S397-Y405 WeakPolarHBondContact O-CA 3.25Å; S397-S406 PolarHBondContact O-N 3.07Å; S397-S406 VanDerWaalsContact O-N 3.13Å; S397-N409 WeakPolarHBondContact CB-O 3.4Å; S397-N409 PolarHBondContact O-ND2 3.19Å; S397-N409 PolarHBondContact OG-O 3.22Å
398A97.9Very high98Very high56 Ų5647.7 Ų47.746%0.46327%0.27SS..BIsolated β-bridgetrans-63.9150.5179.700000112.5P395 L396 P404 N409P395-A398 VanDerWaalsContact O-CB 3.3Å; P395-A398 WeakPolarHBondContact O-CB 3.19Å; P395-A398 PolarHBondContact O-N 2.71Å; L396-A398 VanDerWaalsContact C-N 3.31Å; A398-P404 VanDerWaalsContact CA-O 3.3Å; A398-P404 WeakPolarHBondContact CA-O 3.26Å; A398-N409 PolarHBondContact O-ND2 2.79Å
399C96.8Very high98Very high26 Ų2646.4 Ų46.418%0.17627%0.265CS..  trans-143.4161.8165.9490000111.1C401 P404 Y405 L429C399-C401 HydrophobicContact CB-CB 4.03Å; C399-C401 WeakPolarHBondContact CB-SG 3.42Å; C399-C401 PolarHBondContact O-N 2.87Å; C399-C401 PolarHBondContact O-SG 2.89Å; C399-C401 WeakPolarHBondContact SG-CB 3.27Å; C399-C401 CovalentContact SG-SG 2.03Å; C399-C401 PolarHBondContact SG-SG 3.21Å; C399-P404 PolarHBondContact N-O 3.43Å; C399-P404 CarbonylContact O-C 3.37Å; C399-Y405 VanDerWaalsContact SG-C 3.58Å; C399-L429 HydrophobicContact CB-CD1 4.29Å
400N95.7Very high98Very high160 Ų16046.4 Ų46.486%0.85627%0.265SS*.SBendtrans-75.269.4168.4-171.519.4000109.9P425N400-P425 VanDerWaalsContact O-CG 3.22Å; N400-P425 WeakPolarHBondContact O-CG 3.02Å
401C97Very high98Very high13 Ų1344.4 Ų44.49%0.08826%0.255CS..SBendtrans-144170.5-16956.80000109C399 P403 P404 Y405 Q423 Y424C399-C401 HydrophobicContact CB-CB 4.03Å; C399-C401 WeakPolarHBondContact CB-SG 3.42Å; C399-C401 PolarHBondContact O-N 2.87Å; C399-C401 PolarHBondContact O-SG 2.89Å; C399-C401 WeakPolarHBondContact SG-CB 3.27Å; C399-C401 CovalentContact SG-SG 2.03Å; C399-C401 PolarHBondContact SG-SG 3.21Å; C401-P403 CarbonylContact C-O 3.55Å; C401-P403 CarbonylContact O-C 3.54Å; C401-P403 PolarHBondContact SG-O 3.34Å; C401-P404 VanDerWaalsContact O-CA 3.3Å; C401-P404 WeakPolarHBondContact O-CA 3.37Å; C401-Y405 PolarHBondContact SG-N 3.44Å; C401-Y405 VanDerWaalsContact SG-N 3.39Å; C401-Q423 CarbonylContact C-O 3.56Å; C401-Q423 VanDerWaalsContact CA-O 3.28Å; C401-Q423 WeakPolarHBondContact CA-O 3.41Å; C401-Q423 VanDerWaalsContact CB-O 3.3Å; C401-Q423 WeakPolarHBondContact CB-O 3.49Å; C401-Y424 HydrophobicContact CB-CD1 4.12Å
402T97.7Very high98Very high86 Ų8644.3 Ų44.353%0.52825%0.254SS..BIsolated β-bridgetrans-125.2119.7173-620000109.3G422 Q423T402-G422 CarbonylContact O-C 3.55Å; T402-G422 WeakPolarHBondContact O-CA 3.4Å; T402-Q423 PolarHBondContact N-O 2.89Å; T402-Q423 PolarHBondContact O-N 2.81Å
403P97.7Very high98.1Very high25 Ų2537.9 Ų37.916%0.16223%0.226CC..SBendcis-58.7163.1-9.227.9-36.1000112.5C401 Y405C401-P403 CarbonylContact C-O 3.55Å; C401-P403 CarbonylContact O-C 3.54Å; C401-P403 PolarHBondContact SG-O 3.34Å; P403-Y405 HydrophobicContact CB-CD2 4.32Å; P403-Y405 HydrophobicContact CB-CE1 4.03Å; P403-Y405 HydrophobicContact CB-CE2 3.8Å; P403-Y405 HydrophobicContact CG-CD2 4.06Å; P403-Y405 HydrophobicContact CG-CE2 3.51Å; P403-Y405 PolarHBondContact O-N 2.83Å
404P97.6Very high98.1Very high87 Ų8733 Ų3357%0.56520%0.197SC*.SBendtrans-76.833.2-169.334.6-38.8000114.3A398 C399 C401A398-P404 VanDerWaalsContact CA-O 3.3Å; A398-P404 WeakPolarHBondContact CA-O 3.26Å; C399-P404 PolarHBondContact N-O 3.43Å; C399-P404 CarbonylContact O-C 3.37Å; C401-P404 VanDerWaalsContact O-CA 3.3Å; C401-P404 WeakPolarHBondContact O-CA 3.37Å
405Y97.9Very high98.1Very high70 Ų7032.6 Ų32.628%0.27519%0.194SC..BIsolated β-bridgetrans-151.9160.5178.349.1-111.6000110F391 K392 S397 C399 C401 P403F391-Y405 AromaticContact CD2-CD2 3.5Å; F391-Y405 HydrophobicContact CD2-CD2 3.5Å; F391-Y405 VanDerWaalsContact CD2-CD2 3.5Å; F391-Y405 HydrophobicContact CD2-CE2 4Å; F391-Y405 HydrophobicContact CD2-CG 4.23Å; F391-Y405 AromaticContact CE2-CD2 3.59Å; F391-Y405 HydrophobicContact CE2-CD2 3.59Å; F391-Y405 AromaticContact CE2-CE2 3.61Å; F391-Y405 HydrophobicContact CE2-CE2 3.61Å; F391-Y405 WeakPolarHBondContact O-CB 3.39Å; K392-Y405 HydrophobicContact CG-CE2 4.26Å; S397-Y405 WeakPolarHBondContact O-CA 3.25Å; C399-Y405 VanDerWaalsContact SG-C 3.58Å; C401-Y405 PolarHBondContact SG-N 3.44Å; C401-Y405 VanDerWaalsContact SG-N 3.39Å; P403-Y405 HydrophobicContact CB-CD2 4.32Å; P403-Y405 HydrophobicContact CB-CE1 4.03Å; P403-Y405 HydrophobicContact CB-CE2 3.8Å; P403-Y405 HydrophobicContact CG-CD2 4.06Å; P403-Y405 HydrophobicContact CG-CE2 3.51Å; P403-Y405 PolarHBondContact O-N 2.83Å
406S98.6Very high98.1Very high0 Ų028.7 Ų28.70%017%0.168CC..  trans-134.4138.4168.5-177.40000110.8S397 E408 N409 N418 L429S397-S406 PolarHBondContact O-N 3.07Å; S397-S406 VanDerWaalsContact O-N 3.13Å; S406-E408 PolarHBondContact O-N 3.24Å; S406-E408 WeakPolarHBondContact OG-CB 2.98Å; S406-E408 PolarHBondContact OG-N 2.9Å; S406-N409 WeakPolarHBondContact O-CB 3.05Å; S406-N409 PolarHBondContact O-N 3.05Å; S406-N418 PolarHBondContact OG-ND2 3.02Å; S406-N418 VanDerWaalsContact OG-ND2 3.13Å; S406-L429 PolarHBondContact OG-O 2.99Å
407A98.6Very high98.1Very high0 Ų029.1 Ų29.10%017%0.17CC..THydrogen-bonded Turntrans-68.2-6.5171.200000113.6N389 F391 A413 R414 N418N389-A407 PolarHBondContact ND2-O 3.13Å; N389-A407 VanDerWaalsContact ND2-O 3.09Å; F391-A407 HydrophobicContact CB-CB 4.46Å; F391-A407 HydrophobicContact CD1-CB 3.72Å; F391-A407 HydrophobicContact CD2-CB 3.86Å; F391-A407 HydrophobicContact CE1-CB 3.78Å; F391-A407 HydrophobicContact CE2-CB 3.91Å; F391-A407 HydrophobicContact CG-CB 3.75Å; F391-A407 HydrophobicContact CZ-CB 3.86Å; A407-A413 CarbonylContact O-C 3.57Å; A407-A413 VanDerWaalsContact O-CA 3.3Å; A407-A413 WeakPolarHBondContact O-CA 3.12Å; A407-R414 HydrophobicContact CB-CB 4.16Å; A407-R414 WeakPolarHBondContact CB-O 3.29Å; A407-R414 PolarHBondContact O-N 2.97Å; A407-N418 WeakPolarHBondContact CB-OD1 3.39Å; A407-N418 PolarHBondContact N-OD1 3.07Å
408E98.6Very high98.1Very high12 Ų1229.3 Ų29.36%0.05617%0.171CC..THydrogen-bonded Turntrans-69.6-34.2166.2-17779171.900111.3W178 W357 S406 A410 N415 A428 L429 R432W178-E408 VanDerWaalsContact CH2-O 3.25Å; W178-E408 WeakPolarHBondContact CH2-O 3.49Å; W178-E408 HydrophobicContact CZ3-CG 4.31Å; W357-E408 HydrophobicContact CZ2-CG 4.1Å; S406-E408 PolarHBondContact O-N 3.24Å; S406-E408 WeakPolarHBondContact OG-CB 2.98Å; S406-E408 PolarHBondContact OG-N 2.9Å; E408-A410 PolarHBondContact O-N 2.93Å; E408-N415 PolarHBondContact OE2-ND2 3.13Å; E408-N415 PolarHBondContact OE2-OD1 2.97Å; E408-A428 VanDerWaalsContact CD-O 3.29Å; E408-L429 HydrophobicContact CB-CD2 4.06Å; E408-L429 HydrophobicContact CG-CD2 4.18Å; E408-R432 VanDerWaalsContact CD-NH2 3.34Å; E408-R432 IonicContact OE1-NH2 2.7Å; E408-R432 PolarHBondContact OE1-NH2 2.94Å; E408-R432 IonicContact OE2-NH2 2.8Å; E408-R432 PolarHBondContact OE2-NH2 3.4Å
409N98.5Very high98Very high3 Ų330 Ų302%0.01617%0.167CC..SBendtrans-82.662.3-171.5-66.6-14.6000111.5W357 P364 S397 A398 S406 L429W357-N409 PolarHBondContact NE1-OD1 3.18Å; P364-N409 HydrophobicContact CB-CB 3.75Å; P364-N409 HydrophobicContact CG-CB 3.91Å; S397-N409 WeakPolarHBondContact CB-O 3.4Å; S397-N409 PolarHBondContact O-ND2 3.19Å; S397-N409 PolarHBondContact OG-O 3.22Å; A398-N409 PolarHBondContact O-ND2 2.79Å; S406-N409 WeakPolarHBondContact O-CB 3.05Å; S406-N409 PolarHBondContact O-N 3.05Å; N409-L429 WeakPolarHBondContact OD1-CD2 3Å
410A98.8Very high98Very high0 Ų032.4 Ų32.40%018%0.182CC..SBendtrans-150.2172.4-17900000110.3W178 R365 N389 E408W178-A410 WeakPolarHBondContact CH2-O 3.44Å; W178-A410 WeakPolarHBondContact CZ2-O 3.46Å; R365-A410 VanDerWaalsContact CD-O 3.28Å; R365-A410 WeakPolarHBondContact CD-O 3.33Å; R365-A410 WeakPolarHBondContact CG-O 3.41Å; N389-A410 HydrophobicContact CB-CB 3.66Å; N389-A410 WeakPolarHBondContact ND2-CB 3.27Å; E408-A410 PolarHBondContact O-N 2.93Å
411I98.8Very high98.1Very high0 Ų031.7 Ų31.70%018%0.178CC..SBendtrans-73.8-35.9175.4-65.3171.3000111.1S159 W178 I368 F369 L385 M386 Y388S159-I411 PolarHBondContact OG-O 2.94Å; W178-I411 VanDerWaalsContact CZ2-O 3.22Å; W178-I411 WeakPolarHBondContact CZ2-O 3.48Å; W178-I411 PolarHBondContact NE1-O 3.31Å; I368-I411 HydrophobicContact CG2-CD1 3.63Å; I368-I411 HydrophobicContact CG2-CG1 3.9Å; F369-I411 HydrophobicContact CD1-CD1 3.74Å; F369-I411 HydrophobicContact CD1-CG1 4.47Å; F369-I411 HydrophobicContact CE1-CD1 3.48Å; F369-I411 VanDerWaalsContact CE1-CD1 3.48Å; F369-I411 HydrophobicContact CE1-CG1 4.03Å; F369-I411 HydrophobicContact CE1-CG2 4.16Å; F369-I411 HydrophobicContact CE2-CD1 4.38Å; F369-I411 HydrophobicContact CE2-CG1 4.11Å; F369-I411 HydrophobicContact CG-CD1 4.29Å; F369-I411 HydrophobicContact CZ-CB 4.42Å; F369-I411 HydrophobicContact CZ-CD1 3.84Å; F369-I411 HydrophobicContact CZ-CG1 3.84Å; F369-I411 HydrophobicContact CZ-CG2 3.71Å; L385-I411 HydrophobicContact CD1-CD1 3.41Å; L385-I411 VanDerWaalsContact CD1-CD1 3.41Å; L385-I411 HydrophobicContact CG-CD1 3.83Å; L385-I411 WeakPolarHBondContact O-CD1 3.36Å; M386-I411 HydrophobicContact CE-CG2 4.45Å; M386-I411 HydrophobicContact SD-CG2 4.11Å; Y388-I411 PolarHBondContact O-N 2.98Å
412S98.8Very high98.1Very high0 Ų032 Ų320%018%0.183CC..SBendtrans-118.891.8172.8177.50000109.8M386 Y388 N389 T459M386-S412 WeakPolarHBondContact O-CB 3.17Å; Y388-S412 PolarHBondContact O-N 3.27Å; N389-S412 WeakPolarHBondContact CB-O 3.27Å; N389-S412 PolarHBondContact ND2-O 2.67Å; S412-T459 WeakPolarHBondContact O-CG2 3.01Å; S412-T459 WeakPolarHBondContact OG-CG2 3.21Å
413A98.7Very high98.1Very high0 Ų034.7 Ų34.70%019%0.19CC..  trans-57.4154.9-175.900000114.5W178 A407 G435 G436W178-A413 HydrophobicContact CD2-CB 3.78Å; W178-A413 HydrophobicContact CE3-CB 3.62Å; W178-A413 HydrophobicContact CH2-CB 3.54Å; W178-A413 HydrophobicContact CZ2-CB 3.69Å; W178-A413 HydrophobicContact CZ3-CB 3.51Å; A407-A413 CarbonylContact O-C 3.57Å; A407-A413 VanDerWaalsContact O-CA 3.3Å; A407-A413 WeakPolarHBondContact O-CA 3.12Å; A413-G435 CarbonylContact O-C 3.59Å; A413-G435 VanDerWaalsContact O-CA 3.25Å; A413-G435 WeakPolarHBondContact O-CA 3.2Å; A413-G436 PolarHBondContact O-N 3.36Å
414R98.5Very high98.1Very high2 Ų235.8 Ų35.81%0.00819%0.191CC..BIsolated β-bridgetrans-142.458.4-179.6-77.1-64.7-53.8-83.40.6111.7N389 A407 D416 L417 P458 T459 L463 P464N389-R414 PolarHBondContact ND2-N 3.17Å; A407-R414 HydrophobicContact CB-CB 4.16Å; A407-R414 WeakPolarHBondContact CB-O 3.29Å; A407-R414 PolarHBondContact O-N 2.97Å; R414-D416 VanDerWaalsContact C-OD1 3.27Å; R414-D416 IonicContact CZ-OD1 3.41Å; R414-D416 IonicContact CZ-OD2 2.83Å; R414-D416 IonicContact NE-OD1 3.17Å; R414-D416 PolarHBondContact NE-OD1 3.46Å; R414-D416 IonicContact NE-OD2 3.35Å; R414-D416 IonicContact NH2-OD1 3.8Å; R414-D416 PolarHBondContact NH2-OD1 3.17Å; R414-D416 IonicContact NH2-OD2 2.82Å; R414-D416 PolarHBondContact NH2-OD2 2.69Å; R414-D416 PolarHBondContact O-N 3Å; R414-L417 HydrophobicContact CB-CD1 4.04Å; R414-L417 HydrophobicContact CB-CG 4.23Å; R414-L417 HydrophobicContact CG-CD1 4.48Å; R414-L417 WeakPolarHBondContact O-CB 3.29Å; R414-L417 PolarHBondContact O-N 3.39Å; R414-P458 VanDerWaalsContact CD-CB 3.42Å; R414-T459 HydrophobicContact CG-CG2 3.79Å; R414-T459 PolarHBondContact NH1-O 3.1Å; R414-L463 HydrophobicContact CB-CD1 4.06Å; R414-L463 HydrophobicContact CG-CD1 3.64Å; R414-P464 PolarHBondContact NH1-O 2.91Å; R414-P464 PolarHBondContact NH2-O 3.07Å
415N98.2Very high98Very high0 Ų034.6 Ų34.60%018%0.184CC..G310 helixtrans-60.5-20.1-174.9-60.271000113.7E408 L417 N418 A428 G430 H431 R432 H434E408-N415 PolarHBondContact OE2-ND2 3.13Å; E408-N415 PolarHBondContact OE2-OD1 2.97Å; N415-L417 PolarHBondContact O-N 2.96Å; N415-N418 WeakPolarHBondContact O-CB 3.14Å; N415-N418 PolarHBondContact O-N 3.11Å; N415-A428 PolarHBondContact ND2-O 3.04Å; N415-G430 WeakPolarHBondContact CB-O 3.32Å; N415-G430 PolarHBondContact ND2-O 2.96Å; N415-H431 WeakPolarHBondContact O-CA 3.3Å; N415-R432 CarbonylContact C-O 3.26Å; N415-R432 HydrophobicContact CB-CB 3.84Å; N415-R432 WeakPolarHBondContact CB-O 3.23Å; N415-R432 PolarHBondContact ND2-NE 3.16Å; N415-R432 PolarHBondContact ND2-NH2 3.45Å; N415-R432 PolarHBondContact O-N 2.82Å; N415-H434 VanDerWaalsContact CB-O 3.25Å; N415-H434 WeakPolarHBondContact CB-O 3.44Å; N415-H434 PolarHBondContact N-O 3.5Å; N415-H434 VanDerWaalsContact N-O 3.07Å; N415-H434 PolarHBondContact OD1-O 2.63Å
416D98.3Very high97.8Very high20 Ų2032.2 Ų32.211%0.10718%0.175CC..G310 helixtrans-62.4-21.217367.8-58.2000112.8Y181 R414 H431 R432 F466 W473Y181-D416 HydrophobicContact CE2-CB 3.72Å; Y181-D416 PolarHBondContact OH-OD1 2.89Å; R414-D416 VanDerWaalsContact C-OD1 3.27Å; R414-D416 IonicContact CZ-OD1 3.41Å; R414-D416 IonicContact CZ-OD2 2.83Å; R414-D416 IonicContact NE-OD1 3.17Å; R414-D416 PolarHBondContact NE-OD1 3.46Å; R414-D416 IonicContact NE-OD2 3.35Å; R414-D416 IonicContact NH2-OD1 3.8Å; R414-D416 PolarHBondContact NH2-OD1 3.17Å; R414-D416 IonicContact NH2-OD2 2.82Å; R414-D416 PolarHBondContact NH2-OD2 2.69Å; R414-D416 PolarHBondContact O-N 3Å; D416-H431 PolarHBondContact O-CE1 3.42Å; D416-H431 PolarHBondContact O-ND1 2.93Å; D416-R432 WeakPolarHBondContact CA-O 3.41Å; D416-R432 PolarHBondContact N-O 3.11Å; D416-F466 WeakPolarHBondContact OD2-CD2 3.09Å; D416-W473 HydrophobicContact CB-CH2 4.28Å; D416-W473 HydrophobicContact CB-CZ3 3.73Å
417L98.3Very high97.5Very high51 Ų5137.6 Ų37.627%0.26721%0.21SC..G310 helixtrans-94.3-3.5178.2-58.9-176.2000114F391 R414 N415 L463 P464F391-L417 HydrophobicContact CE1-CB 4.08Å; F391-L417 HydrophobicContact CE1-CD1 4.13Å; F391-L417 HydrophobicContact CZ-CB 3.92Å; R414-L417 HydrophobicContact CB-CD1 4.04Å; R414-L417 HydrophobicContact CB-CG 4.23Å; R414-L417 HydrophobicContact CG-CD1 4.48Å; R414-L417 WeakPolarHBondContact O-CB 3.29Å; R414-L417 PolarHBondContact O-N 3.39Å; N415-L417 PolarHBondContact O-N 2.96Å; L417-L463 HydrophobicContact CD1-CB 4.13Å; L417-L463 HydrophobicContact CD1-CD1 3.98Å; L417-L463 HydrophobicContact CD1-CD2 4.01Å; L417-L463 HydrophobicContact CD1-CG 4.28Å; L417-P464 HydrophobicContact CD1-CG 4.33Å; L417-P464 HydrophobicContact CD2-CG 4.18Å
418N98.4Very high97.4Very high4 Ų438.7 Ų38.72%0.02122%0.219CC..SBendtrans-68.6153170.1-76-29.2000110.4S406 A407 N415 P420 Y424 L429 G430 H431S406-N418 PolarHBondContact OG-ND2 3.02Å; S406-N418 VanDerWaalsContact OG-ND2 3.13Å; A407-N418 WeakPolarHBondContact CB-OD1 3.39Å; A407-N418 PolarHBondContact N-OD1 3.07Å; N415-N418 WeakPolarHBondContact O-CB 3.14Å; N415-N418 PolarHBondContact O-N 3.11Å; N418-P420 WeakPolarHBondContact O-CD 3.47Å; N418-Y424 WeakPolarHBondContact CB-OH 3.46Å; N418-L429 PolarHBondContact ND2-O 3.39Å; N418-G430 PolarHBondContact ND2-O 3.02Å; N418-H431 HydrophobicContact CB-CB 4.29Å; N418-H431 PolarHBondContact O-ND1 3.21Å
419D97.3Very high97.3Very high70 Ų7038.3 Ų38.337%0.37422%0.217SC..  trans-69.9122.7179.2-171.3-21.4000109.7N421 G422 Y424D419-N421 PolarHBondContact O-N 3.02Å; D419-N421 VanDerWaalsContact O-N 3.15Å; D419-N421 PolarHBondContact OD1-N 3.41Å; D419-G422 PolarHBondContact O-N 3.31Å; D419-Y424 PolarHBondContact N-OH 3.4Å; D419-Y424 VanDerWaalsContact N-OH 3.1Å; D419-Y424 PolarHBondContact O-OH 3.18Å
420P96Very high97.2Very high78 Ų7838.5 Ų38.551%0.50622%0.22SC..THydrogen-bonded Turntrans-60.7-20.4175.525.1-34.9000113.7N418 H431N418-P420 WeakPolarHBondContact O-CD 3.47Å; P420-H431 HydrophobicContact CB-CB 4.42Å
421N97.2Very high97.1Very high144 Ų14440.7 Ų40.777%0.7723%0.23SC*.THydrogen-bonded Turntrans-101.17.6175.4-55.3-56.3000112.9D419D419-N421 PolarHBondContact O-N 3.02Å; D419-N421 VanDerWaalsContact O-N 3.15Å; D419-N421 PolarHBondContact OD1-N 3.41Å
422G97.3Very high97Very high19 Ų1943.3 Ų43.320%0.19624%0.24CC..  trans-67.5156.3179.900000113.3T402 D419T402-G422 CarbonylContact O-C 3.55Å; T402-G422 WeakPolarHBondContact O-CA 3.4Å; D419-G422 PolarHBondContact O-N 3.31Å
423Q97.9Very high96.8Very high144 Ų14444.3 Ų44.367%0.67325%0.247SC*.BIsolated β-bridgetrans-104.4116.6174-62.4-175.8900109.5C401 T402C401-Q423 CarbonylContact C-O 3.56Å; C401-Q423 VanDerWaalsContact CA-O 3.28Å; C401-Q423 WeakPolarHBondContact CA-O 3.41Å; C401-Q423 VanDerWaalsContact CB-O 3.3Å; C401-Q423 WeakPolarHBondContact CB-O 3.49Å; T402-Q423 PolarHBondContact N-O 2.89Å; T402-Q423 PolarHBondContact O-N 2.81Å
424Y97.5Very high96.8Very high47 Ų4745 Ų4518%0.18425%0.25CC..  trans-121.9135.4-173.8-58.9-73.7000110.6C401 N418 D419 F426 L429 G430C401-Y424 HydrophobicContact CB-CD1 4.12Å; N418-Y424 WeakPolarHBondContact CB-OH 3.46Å; D419-Y424 PolarHBondContact N-OH 3.4Å; D419-Y424 VanDerWaalsContact N-OH 3.1Å; D419-Y424 PolarHBondContact O-OH 3.18Å; Y424-F426 PolarHBondContact O-N 3.43Å; Y424-L429 HydrophobicContact CD1-CB 3.9Å; Y424-L429 WeakPolarHBondContact CD1-O 3.37Å; Y424-L429 VanDerWaalsContact CE1-O 3.26Å; Y424-L429 WeakPolarHBondContact CE1-O 3.4Å; Y424-L429 HydrophobicContact CG-CB 4.31Å; Y424-G430 VanDerWaalsContact CD2-CA 3.44Å
425P95.4Very high96.8Very high62 Ų6244.9 Ų44.940%0.40325%0.25SC..SBendtrans-58.1-31.3-179.5-29.135000114.8N400 L429N400-P425 VanDerWaalsContact O-CG 3.22Å; N400-P425 WeakPolarHBondContact O-CG 3.02Å; P425-L429 HydrophobicContact CG-CD1 4.31Å
426F94.6Very high96.8Very high21 Ų2144.9 Ų44.99%0.09225%0.25CC..SBendtrans-154.2159.1176.948.8-90.7000110.5Y354 W357 F358 Y424 A428 L429Y354-F426 AromaticContact CD1-CD1 3.58Å; Y354-F426 HydrophobicContact CD1-CD1 3.58Å; Y354-F426 HydrophobicContact CD1-CE1 4.08Å; Y354-F426 HydrophobicContact CD2-CD1 4.45Å; Y354-F426 HydrophobicContact CE1-CB 4.24Å; Y354-F426 AromaticContact CE1-CD1 3.82Å; Y354-F426 HydrophobicContact CE1-CD1 3.82Å; Y354-F426 HydrophobicContact CE1-CG 4.44Å; Y354-F426 AromaticContact CG-CD1 3.93Å; Y354-F426 HydrophobicContact CG-CD1 3.93Å; Y354-F426 HydrophobicContact CG-CE1 4.1Å; W357-F426 HydrophobicContact CB-CZ 4.24Å; W357-F426 AromaticContact CD2-CE2 3.87Å; W357-F426 HydrophobicContact CD2-CE2 3.87Å; W357-F426 AromaticContact CD2-CZ 3.49Å; W357-F426 HydrophobicContact CD2-CZ 3.49Å; W357-F426 VanDerWaalsContact CD2-CZ 3.49Å; W357-F426 AromaticContact CE2-CE2 3.94Å; W357-F426 AromaticContact CE2-CZ 3.88Å; W357-F426 AromaticContact CE3-CE2 3.87Å; W357-F426 HydrophobicContact CE3-CE2 3.87Å; W357-F426 AromaticContact CE3-CZ 3.75Å; W357-F426 HydrophobicContact CE3-CZ 3.75Å; W357-F426 AromaticContact CG-CZ 3.72Å; W357-F426 HydrophobicContact CG-CZ 3.72Å; W357-F426 HydrophobicContact CH2-CE2 4.03Å; W357-F426 HydrophobicContact CZ2-CE2 4.03Å; W357-F426 HydrophobicContact CZ2-CZ 4.43Å; W357-F426 AromaticContact CZ3-CE2 3.96Å; W357-F426 HydrophobicContact CZ3-CE2 3.96Å; W357-F426 HydrophobicContact CZ3-CZ 4.31Å; F358-F426 HydrophobicContact CE2-CD1 4.48Å; F358-F426 AromaticContact CE2-CE1 3.99Å; F358-F426 HydrophobicContact CE2-CE1 3.99Å; F358-F426 HydrophobicContact CE2-CE2 4.28Å; F358-F426 AromaticContact CE2-CZ 3.89Å; F358-F426 HydrophobicContact CE2-CZ 3.89Å; F358-F426 HydrophobicContact CZ-CE2 4.3Å; F358-F426 HydrophobicContact CZ-CZ 4.36Å; Y424-F426 PolarHBondContact O-N 3.43Å; F426-A428 VanDerWaalsContact C-N 3.28Å; F426-A428 HydrophobicContact CD2-CB 3.89Å; F426-A428 HydrophobicContact CE2-CB 3.99Å; F426-A428 PolarHBondContact O-N 3.03Å; F426-A428 VanDerWaalsContact O-N 3.11Å; F426-L429 HydrophobicContact CD1-CD1 4.35Å; F426-L429 HydrophobicContact CD2-CD1 4.45Å; F426-L429 HydrophobicContact CD2-CG 4.22Å; F426-L429 HydrophobicContact CE1-CD1 3.76Å; F426-L429 HydrophobicContact CE1-CG 4.44Å; F426-L429 HydrophobicContact CE2-CD1 3.9Å; F426-L429 HydrophobicContact CE2-CD2 4.4Å; F426-L429 HydrophobicContact CE2-CG 3.65Å; F426-L429 HydrophobicContact CZ-CD1 3.49Å; F426-L429 VanDerWaalsContact CZ-CD1 3.49Å; F426-L429 HydrophobicContact CZ-CD2 4.4Å; F426-L429 HydrophobicContact CZ-CG 3.76Å; F426-L429 PolarHBondContact O-N 3.47Å
427P92.8Very high96.8Very high112 Ų11244 Ų4473%0.72725%0.245SC*.G310 helixtrans-59.7-28.2-167-28.336.5000116.2L429 G430P427-L429 PolarHBondContact O-N 3.22Å; P427-G430 PolarHBondContact O-N 2.89Å; P427-G430 VanDerWaalsContact O-N 3.1Å
428A94.9Very high96.8Very high24 Ų2441.5 Ų41.520%0.19823%0.232CC..G310 helixtrans-60.5-33.4-178.400000112.6W357 E408 N415 F426 G430 R432W357-A428 HydrophobicContact CH2-CB 4.25Å; E408-A428 VanDerWaalsContact CD-O 3.29Å; N415-A428 PolarHBondContact ND2-O 3.04Å; F426-A428 VanDerWaalsContact C-N 3.28Å; F426-A428 HydrophobicContact CD2-CB 3.89Å; F426-A428 HydrophobicContact CE2-CB 3.99Å; F426-A428 PolarHBondContact O-N 3.03Å; F426-A428 VanDerWaalsContact O-N 3.11Å; A428-G430 VanDerWaalsContact C-N 3.25Å; A428-G430 PolarHBondContact O-N 2.92Å; A428-R432 PolarHBondContact O-NE 3.42Å; A428-R432 PolarHBondContact O-NH2 3.04Å
429L97.2Very high96.8Very high3 Ų341.3 Ų41.32%0.01623%0.231CC..G310 helixtrans-78-7.8-179.8-64.8174.3000113.8W357 C399 S406 E408 N409 N418 Y424 P425 F426 P427W357-L429 HydrophobicContact CZ2-CD2 4.47Å; C399-L429 HydrophobicContact CB-CD1 4.29Å; S406-L429 PolarHBondContact OG-O 2.99Å; E408-L429 HydrophobicContact CB-CD2 4.06Å; E408-L429 HydrophobicContact CG-CD2 4.18Å; N409-L429 WeakPolarHBondContact OD1-CD2 3Å; N418-L429 PolarHBondContact ND2-O 3.39Å; Y424-L429 HydrophobicContact CD1-CB 3.9Å; Y424-L429 WeakPolarHBondContact CD1-O 3.37Å; Y424-L429 VanDerWaalsContact CE1-O 3.26Å; Y424-L429 WeakPolarHBondContact CE1-O 3.4Å; Y424-L429 HydrophobicContact CG-CB 4.31Å; P425-L429 HydrophobicContact CG-CD1 4.31Å; F426-L429 HydrophobicContact CD1-CD1 4.35Å; F426-L429 HydrophobicContact CD2-CD1 4.45Å; F426-L429 HydrophobicContact CD2-CG 4.22Å; F426-L429 HydrophobicContact CE1-CD1 3.76Å; F426-L429 HydrophobicContact CE1-CG 4.44Å; F426-L429 HydrophobicContact CE2-CD1 3.9Å; F426-L429 HydrophobicContact CE2-CD2 4.4Å; F426-L429 HydrophobicContact CE2-CG 3.65Å; F426-L429 HydrophobicContact CZ-CD1 3.49Å; F426-L429 VanDerWaalsContact CZ-CD1 3.49Å; F426-L429 HydrophobicContact CZ-CD2 4.4Å; F426-L429 HydrophobicContact CZ-CG 3.76Å; F426-L429 PolarHBondContact O-N 3.47Å; P427-L429 PolarHBondContact O-N 3.22Å
430G96.5Very high96.9Very high8 Ų838 Ų388%0.08221%0.213CC..SBendtrans-86.7-174.4-169.700000115.9N415 N418 Y424 P427 A428 R432N415-G430 WeakPolarHBondContact CB-O 3.32Å; N415-G430 PolarHBondContact ND2-O 2.96Å; N418-G430 PolarHBondContact ND2-O 3.02Å; Y424-G430 VanDerWaalsContact CD2-CA 3.44Å; P427-G430 PolarHBondContact O-N 2.89Å; P427-G430 VanDerWaalsContact O-N 3.1Å; A428-G430 VanDerWaalsContact C-N 3.25Å; A428-G430 PolarHBondContact O-N 2.92Å; G430-R432 PolarHBondContact O-N 3.2Å
431H96.9Very high97Very high46 Ų4634.3 Ų34.321%0.21319%0.189CC..  trans-74.6112175.6-17476.6000111.2N415 D416 N418 P420 W473N415-H431 WeakPolarHBondContact O-CA 3.3Å; D416-H431 PolarHBondContact O-CE1 3.42Å; D416-H431 PolarHBondContact O-ND1 2.93Å; N418-H431 HydrophobicContact CB-CB 4.29Å; N418-H431 PolarHBondContact O-ND1 3.21Å; P420-H431 HydrophobicContact CB-CB 4.42Å; H431-W473 AromaticContact CD2-CH2 3.47Å; H431-W473 VanDerWaalsContact CD2-CH2 3.47Å; H431-W473 WeakPolarHBondContact CD2-CH2 3.15Å; H431-W473 AromaticContact CD2-CZ2 3.59Å; H431-W473 AromaticContact CE1-CH2 3.46Å; H431-W473 VanDerWaalsContact CE1-CH2 3.46Å; H431-W473 WeakPolarHBondContact CE1-CH2 3.47Å; H431-W473 AromaticContact CE1-CZ3 3.94Å; H431-W473 AromaticContact ND1-CH2 3.97Å; H431-W473 AromaticContact NE2-CH2 3.11Å; H431-W473 WeakPolarHBondContact NE2-CH2 3.42Å; H431-W473 AromaticContact NE2-CZ2 3.57Å; H431-W473 AromaticContact NE2-CZ3 3.75Å
432R96Very high97.1Very high54 Ų5427.4 Ų27.420%0.20415%0.152CC..  trans-144.2150.8-174.2-59.6-174.8-64.7156-0.5110.3E408 N415 D416 A428 G430 H434 W473E408-R432 VanDerWaalsContact CD-NH2 3.34Å; E408-R432 IonicContact OE1-NH2 2.7Å; E408-R432 PolarHBondContact OE1-NH2 2.94Å; E408-R432 IonicContact OE2-NH2 2.8Å; E408-R432 PolarHBondContact OE2-NH2 3.4Å; N415-R432 CarbonylContact C-O 3.26Å; N415-R432 HydrophobicContact CB-CB 3.84Å; N415-R432 WeakPolarHBondContact CB-O 3.23Å; N415-R432 PolarHBondContact ND2-NE 3.16Å; N415-R432 PolarHBondContact ND2-NH2 3.45Å; N415-R432 PolarHBondContact O-N 2.82Å; D416-R432 WeakPolarHBondContact CA-O 3.41Å; D416-R432 PolarHBondContact N-O 3.11Å; A428-R432 PolarHBondContact O-NE 3.42Å; A428-R432 PolarHBondContact O-NH2 3.04Å; G430-R432 PolarHBondContact O-N 3.2Å; R432-H434 HydrophobicContact CB-CB 3.9Å; R432-H434 PolarHBondContact O-N 3.43Å; R432-W473 WeakPolarHBondContact O-CH2 3.31Å
433P95.8Very high97Very high22 Ų2227.5 Ų27.514%0.14315%0.148CC..SBendtrans-77.253171.633-31.2000109.6S180 Y181 W473 L477S180-P433 CarbonylContact C-O 3.48Å; S180-P433 VanDerWaalsContact CA-O 3.25Å; S180-P433 WeakPolarHBondContact CA-O 3.32Å; S180-P433 PolarHBondContact OG-O 2.94Å; Y181-P433 PolarHBondContact N-O 3.42Å; P433-W473 HydrophobicContact CB-CD2 3.59Å; P433-W473 HydrophobicContact CB-CE3 3.93Å; P433-W473 HydrophobicContact CB-CG 3.95Å; P433-W473 HydrophobicContact CB-CH2 4.33Å; P433-W473 HydrophobicContact CB-CZ2 4.04Å; P433-W473 HydrophobicContact CB-CZ3 4.28Å; P433-W473 HydrophobicContact CG-CD2 4.18Å; P433-W473 HydrophobicContact CG-CG 4.37Å; P433-W473 HydrophobicContact CG-CZ2 4.14Å; P433-L477 HydrophobicContact CB-CD1 3.6Å; P433-L477 HydrophobicContact CG-CD1 3.58Å
434H97.7Very high96.9Very high14 Ų1422.7 Ų22.77%0.06513%0.127CC..EExtended strand (participates in β ladder)trans-142.3152.2-166.4-175.5-83.7000110.4S179 Y181 N415 R432S179-H434 WeakPolarHBondContact O-CA 3.3Å; S179-H434 PolarHBondContact O-CD2 2.82Å; Y181-H434 VanDerWaalsContact CE1-C 3.42Å; Y181-H434 PolarHBondContact OH-O 2.93Å; N415-H434 VanDerWaalsContact CB-O 3.25Å; N415-H434 WeakPolarHBondContact CB-O 3.44Å; N415-H434 PolarHBondContact N-O 3.5Å; N415-H434 VanDerWaalsContact N-O 3.07Å; N415-H434 PolarHBondContact OD1-O 2.63Å; R432-H434 HydrophobicContact CB-CB 3.9Å; R432-H434 PolarHBondContact O-N 3.43Å
435G98.3Very high96.7Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans155-167.4174.400000110.8W178 S179 A413 T437W178-G435 WeakPolarHBondContact CA-O 3.33Å; S179-G435 PolarHBondContact N-O 2.7Å; S179-G435 VanDerWaalsContact N-O 3.11Å; S179-G435 PolarHBondContact O-N 2.97Å; A413-G435 CarbonylContact O-C 3.59Å; A413-G435 VanDerWaalsContact O-CA 3.25Å; A413-G435 WeakPolarHBondContact O-CA 3.2Å; G435-T437 PolarHBondContact O-N 3.28Å
436G98.6Very high96.8Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-62.3117.2175.700000110.9T177 A413 P458T177-G436 CarbonylContact O-C 3.51Å; T177-G436 VanDerWaalsContact O-CA 3.28Å; T177-G436 WeakPolarHBondContact O-CA 3.45Å; A413-G436 PolarHBondContact O-N 3.36Å; G436-P458 VanDerWaalsContact O-CA 3.24Å; G436-P458 WeakPolarHBondContact O-CA 3.39Å
437T98.3Very high96.8Very high0 Ų022.6 Ų22.60%013%0.126CC..  trans-101.9-4.6-174.7470000113.7T177 Y181 M184 G435 G457T177-T437 PolarHBondContact O-N 3.15Å; T177-T437 PolarHBondContact O-OG1 3.27Å; Y181-T437 HydrophobicContact CD1-CG2 3.83Å; Y181-T437 HydrophobicContact CE1-CG2 4.12Å; M184-T437 HydrophobicContact CG-CG2 3.77Å; M184-T437 HydrophobicContact SD-CG2 3.94Å; G435-T437 PolarHBondContact O-N 3.28Å; T437-G457 CarbonylContact O-C 3.59Å; T437-G457 VanDerWaalsContact O-CA 3.26Å; T437-G457 WeakPolarHBondContact O-CA 3.41Å; T437-G457 PolarHBondContact O-N 3.16Å
438D98.6Very high96.8Very high0 Ų024.2 Ų24.20%012%0.122CC..EExtended strand (participates in β ladder)trans-160.9-169.8177.360.340000113.1W20 V176 T177 R186 R387 K440 I455W20-D438 HydrophobicContact CH2-CB 4.23Å; W20-D438 HydrophobicContact CZ2-CB 3.99Å; V176-D438 WeakPolarHBondContact CG1-O 3.43Å; T177-D438 PolarHBondContact N-OD1 3.1Å; R186-D438 IonicContact CZ-OD2 3.85Å; R186-D438 IonicContact NH1-OD2 2.73Å; R186-D438 PolarHBondContact NH1-OD2 3.19Å; R186-D438 IonicContact NH2-OD2 3.95Å; R186-D438 PolarHBondContact NH2-OD2 2.94Å; R387-D438 PolarHBondContact NH1-O 3.42Å; D438-K440 HydrophobicContact CB-CD 4.37Å; D438-K440 IonicContact OD1-NZ 3.85Å; D438-K440 PolarHBondContact OD1-NZ 2.91Å; D438-K440 IonicContact OD2-NZ 2.65Å; D438-K440 PolarHBondContact OD2-NZ 3.24Å; D438-I455 CarbonylContact C-O 3.51Å; D438-I455 WeakPolarHBondContact CA-O 3.28Å; D438-I455 WeakPolarHBondContact CB-O 3.24Å
439L98.6Very high96.9Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-147.2141.4155.3167.3151.8000108H175 V176 I383 M386 R387 A441 A454 I455H175-L439 CarbonylContact O-C 3.59Å; H175-L439 WeakPolarHBondContact O-CA 3.48Å; V176-L439 HydrophobicContact CG2-CB 4.2Å; V176-L439 HydrophobicContact CG2-CD1 4.5Å; V176-L439 HydrophobicContact CG2-CG 4.47Å; I383-L439 HydrophobicContact CB-CD1 4.35Å; I383-L439 HydrophobicContact CG1-CD1 4.31Å; I383-L439 HydrophobicContact CG1-CD2 4.06Å; I383-L439 HydrophobicContact CG2-CD1 4.3Å; M386-L439 HydrophobicContact CB-CD1 3.37Å; M386-L439 HydrophobicContact CB-CG 4.39Å; M386-L439 HydrophobicContact CG-CD1 4.4Å; R387-L439 HydrophobicContact CG-CB 4.49Å; R387-L439 HydrophobicContact CG-CD1 3.79Å; L439-A441 HydrophobicContact CD2-CB 4.21Å; L439-A454 CarbonylContact O-C 3.55Å; L439-A454 VanDerWaalsContact O-CA 3.25Å; L439-A454 WeakPolarHBondContact O-CA 3.24Å; L439-I455 HydrophobicContact CB-CB 4.22Å; L439-I455 HydrophobicContact CD2-CD1 4.37Å; L439-I455 HydrophobicContact CD2-CG1 4.45Å; L439-I455 PolarHBondContact N-O 3.17Å; L439-I455 PolarHBondContact O-N 2.99Å
440K98.8Very high96.9Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-125.8139.2164.7-61.280.352.7177.40109.6W20 S174 H175 T177 S209 D219 Y221 D438 F452 V453W20-K440 HydrophobicContact CH2-CD 4.47Å; S174-K440 CarbonylContact C-O 3.54Å; S174-K440 VanDerWaalsContact CA-O 3.23Å; S174-K440 WeakPolarHBondContact CA-O 3.33Å; H175-K440 PolarHBondContact N-O 2.72Å; H175-K440 WeakPolarHBondContact ND1-CE 3.5Å; H175-K440 PolarHBondContact ND1-NZ 2.91Å; H175-K440 VanDerWaalsContact ND1-NZ 3.11Å; H175-K440 PolarHBondContact O-N 2.74Å; T177-K440 PolarHBondContact OG1-NZ 3.43Å; S209-K440 WeakPolarHBondContact OG-CD 3.5Å; S209-K440 WeakPolarHBondContact OG-CE 3.42Å; D219-K440 VanDerWaalsContact OD2-CE 3.27Å; D219-K440 WeakPolarHBondContact OD2-CE 3.17Å; D219-K440 IonicContact OD2-NZ 3.02Å; D219-K440 PolarHBondContact OD2-NZ 3.42Å; Y221-K440 HydrophobicContact CD1-CB 3.81Å; Y221-K440 HydrophobicContact CD1-CG 4.2Å; Y221-K440 HydrophobicContact CD2-CB 3.99Å; Y221-K440 HydrophobicContact CE1-CB 3.85Å; Y221-K440 HydrophobicContact CE2-CB 4Å; Y221-K440 HydrophobicContact CG-CB 3.87Å; Y221-K440 HydrophobicContact CG-CG 4.32Å; D438-K440 HydrophobicContact CB-CD 4.37Å; D438-K440 IonicContact OD1-NZ 3.85Å; D438-K440 PolarHBondContact OD1-NZ 2.91Å; D438-K440 IonicContact OD2-NZ 2.65Å; D438-K440 PolarHBondContact OD2-NZ 3.24Å; K440-F452 HydrophobicContact CB-CD2 4.05Å; K440-F452 HydrophobicContact CB-CE2 4.46Å; K440-F452 HydrophobicContact CG-CD2 3.94Å; K440-F452 HydrophobicContact CG-CE2 3.86Å; K440-V453 CarbonylContact C-O 3.53Å; K440-V453 VanDerWaalsContact CA-O 3.25Å; K440-V453 WeakPolarHBondContact CA-O 3.35Å
441A98.8Very high97Very high0 Ų029.1 Ų29.10%014%0.139CC..EExtended strand (participates in β ladder)trans-149.5142.4176.400000112.2F173 Y221 M379 L382 L439 F452 V453F173-A441 CarbonylContact O-C 3.47Å; F173-A441 WeakPolarHBondContact O-CA 3.17Å; Y221-A441 VanDerWaalsContact OH-C 3.24Å; M379-A441 HydrophobicContact CE-CB 4.44Å; M379-A441 HydrophobicContact SD-CB 3.72Å; L382-A441 HydrophobicContact CD2-CB 3.85Å; L439-A441 HydrophobicContact CD2-CB 4.21Å; A441-F452 CarbonylContact O-C 3.38Å; A441-F452 VanDerWaalsContact O-CA 3.31Å; A441-F452 WeakPolarHBondContact O-CA 3.17Å; A441-F452 VanDerWaalsContact O-CB 3.31Å; A441-F452 WeakPolarHBondContact O-CB 3.37Å; A441-V453 PolarHBondContact N-O 2.9Å; A441-V453 PolarHBondContact O-N 3.4Å
442T98.4Very high97Very high0 Ų027 Ų270%013%0.129CC..EExtended strand (participates in β ladder)trans-138.4172.2176.2-159.50000110.8F173 Y221 L223 Y289 L446 M447 R451F173-T442 HydrophobicContact CB-CG2 4.05Å; F173-T442 HydrophobicContact CD1-CG2 4.43Å; F173-T442 PolarHBondContact N-O 2.77Å; F173-T442 PolarHBondContact O-N 3.11Å; Y221-T442 VanDerWaalsContact OH-CB 3.25Å; Y221-T442 WeakPolarHBondContact OH-CB 3.35Å; Y221-T442 VanDerWaalsContact OH-CG2 3.23Å; Y221-T442 WeakPolarHBondContact OH-CG2 3.31Å; Y221-T442 PolarHBondContact OH-N 3.18Å; L223-T442 HydrophobicContact CD2-CG2 3.89Å; Y289-T442 HydrophobicContact CE2-CG2 4.38Å; T442-L446 WeakPolarHBondContact OG1-CB 3.38Å; T442-M447 HydrophobicContact CG2-CG 3.69Å; T442-M447 HydrophobicContact CG2-SD 3.69Å; T442-R451 PolarHBondContact OG1-O 2.68Å
443N96.4Very high97.1Very high21 Ų2124.7 Ų24.711%0.11212%0.122CC..  trans-150.3179.7175.582-31.3000109.2D170 F172 M379 D445 L446 M447D170-N443 WeakPolarHBondContact OD1-CB 3.33Å; D170-N443 WeakPolarHBondContact OD2-CB 3.33Å; D170-N443 PolarHBondContact OD2-ND2 3.32Å; F172-N443 HydrophobicContact CD1-CB 3.64Å; F172-N443 HydrophobicContact CE1-CB 3.84Å; M379-N443 HydrophobicContact CE-CB 4.27Å; N443-D445 PolarHBondContact O-N 2.92Å; N443-D445 PolarHBondContact OD1-N 3.31Å; N443-L446 PolarHBondContact O-N 3.16Å; N443-L446 WeakPolarHBondContact OD1-CB 3.19Å; N443-L446 WeakPolarHBondContact OD1-CG 3.15Å; N443-L446 PolarHBondContact OD1-N 3.42Å; N443-M447 WeakPolarHBondContact O-CB 3.36Å; N443-M447 VanDerWaalsContact O-CG 3.28Å; N443-M447 WeakPolarHBondContact O-CG 3.41Å; N443-M447 PolarHBondContact O-N 3.18Å
444I94.3Very high97.2Very high43 Ų4323.7 Ų23.722%0.22112%0.115CC..Hα-helixtrans-58.1-35.7-175.1-161.5166.6000112.9D170 Y289 K448D170-I444 HydrophobicContact CB-CG2 4.32Å; D170-I444 WeakPolarHBondContact OD1-CB 3.37Å; D170-I444 VanDerWaalsContact OD1-CG2 3.3Å; D170-I444 WeakPolarHBondContact OD1-CG2 3.3Å; D170-I444 PolarHBondContact OD1-N 2.87Å; Y289-I444 HydrophobicContact CD1-CB 4.05Å; Y289-I444 HydrophobicContact CD1-CG1 4.07Å; Y289-I444 HydrophobicContact CE1-CB 4.17Å; I444-K448 WeakPolarHBondContact O-CG 3.31Å; I444-K448 PolarHBondContact O-N 3.01Å
445D94.3Very high97.2Very high94 Ų9423.3 Ų23.350%0.50311%0.113SC..Hα-helixtrans-74.6-40.3-178.9-76.6-24.4000113N443 K448N443-D445 PolarHBondContact O-N 2.92Å; N443-D445 PolarHBondContact OD1-N 3.31Å; D445-K448 IonicContact OD1-NZ 2.72Å; D445-K448 PolarHBondContact OD1-NZ 2.84Å
446L96.6Very high97.2Very high21 Ų2123.4 Ų23.411%0.1111%0.114CC..Hα-helixtrans-71-36.5176.2-70173.9000111.7M379 T442 N443 K448 S449 L450 R451 V453 I492M379-L446 HydrophobicContact CE-CD1 4.2Å; T442-L446 WeakPolarHBondContact OG1-CB 3.38Å; N443-L446 PolarHBondContact O-N 3.16Å; N443-L446 WeakPolarHBondContact OD1-CB 3.19Å; N443-L446 WeakPolarHBondContact OD1-CG 3.15Å; N443-L446 PolarHBondContact OD1-N 3.42Å; L446-K448 VanDerWaalsContact C-N 3.31Å; L446-K448 PolarHBondContact O-N 2.82Å; L446-S449 PolarHBondContact O-N 3.39Å; L446-S449 VanDerWaalsContact O-N 3.16Å; L446-L450 PolarHBondContact O-N 3.25Å; L446-R451 CarbonylContact C-O 3.59Å; L446-R451 HydrophobicContact CB-CB 4.38Å; L446-R451 WeakPolarHBondContact CB-O 3.34Å; L446-R451 HydrophobicContact CD2-CB 4.13Å; L446-R451 PolarHBondContact O-N 3.25Å; L446-V453 HydrophobicContact CD1-CG2 4.12Å; L446-I492 HydrophobicContact CD2-CD1 4.14Å; L446-I492 HydrophobicContact CD2-CG2 4.08Å
447M95Very high97.1Very high12 Ų1223.5 Ų23.56%0.05911%0.114CC..Hα-helixtrans-59.9-35.5177.3-81.3-61.9-67.900113.7L223 T224 A226 A227 Y289 T442 N443 S449 L450L223-M447 HydrophobicContact CB-CE 4.05Å; L223-M447 HydrophobicContact CB-SD 3.73Å; L223-M447 HydrophobicContact CD1-SD 3.6Å; L223-M447 VanDerWaalsContact CD1-SD 3.6Å; L223-M447 HydrophobicContact CD2-CE 4.32Å; L223-M447 HydrophobicContact CD2-SD 3.41Å; L223-M447 WeakPolarHBondContact CD2-SD 3.23Å; L223-M447 HydrophobicContact CG-SD 3.73Å; T224-M447 WeakPolarHBondContact O-CE 3.19Å; A226-M447 WeakPolarHBondContact O-CE 3.3Å; A227-M447 HydrophobicContact CB-CE 4.09Å; A227-M447 HydrophobicContact CB-SD 4.19Å; Y289-M447 HydrophobicContact CD1-CG 4.29Å; Y289-M447 HydrophobicContact CD2-CB 4.39Å; Y289-M447 HydrophobicContact CD2-CE 3.77Å; Y289-M447 HydrophobicContact CD2-CG 3.65Å; Y289-M447 HydrophobicContact CD2-SD 4.24Å; Y289-M447 HydrophobicContact CE1-CG 4.18Å; Y289-M447 HydrophobicContact CE2-CE 4.19Å; Y289-M447 HydrophobicContact CE2-CG 3.51Å; Y289-M447 HydrophobicContact CE2-SD 4.11Å; Y289-M447 HydrophobicContact CG-CB 4.33Å; Y289-M447 HydrophobicContact CG-CG 4.02Å; T442-M447 HydrophobicContact CG2-CG 3.69Å; T442-M447 HydrophobicContact CG2-SD 3.69Å; N443-M447 WeakPolarHBondContact O-CB 3.36Å; N443-M447 VanDerWaalsContact O-CG 3.28Å; N443-M447 WeakPolarHBondContact O-CG 3.41Å; N443-M447 PolarHBondContact O-N 3.18Å; M447-S449 PolarHBondContact O-N 3.23Å; M447-L450 PolarHBondContact O-N 3Å
448K93.9Very high97.1Very high146 Ų14623.5 Ų23.564%0.63511%0.114SC*.THydrogen-bonded Turntrans-54.9-23.3176.6-72.7164.9-169.3163.10113.6I444 D445 L446I444-K448 WeakPolarHBondContact O-CG 3.31Å; I444-K448 PolarHBondContact O-N 3.01Å; D445-K448 IonicContact OD1-NZ 2.72Å; D445-K448 PolarHBondContact OD1-NZ 2.84Å; L446-K448 VanDerWaalsContact C-N 3.31Å; L446-K448 PolarHBondContact O-N 2.82Å
449S95.9Very high97.1Very high34 Ų3423.5 Ų23.524%0.23811%0.114CC..THydrogen-bonded Turntrans-121.520.9176.8-46.90000112.6L446 M447 R451 I498L446-S449 PolarHBondContact O-N 3.39Å; L446-S449 VanDerWaalsContact O-N 3.16Å; M447-S449 PolarHBondContact O-N 3.23Å; S449-R451 WeakPolarHBondContact O-CG 3.44Å; S449-R451 PolarHBondContact O-N 2.03Å; S449-R451 VanDerWaalsContact O-N 3.16Å; S449-I498 VanDerWaalsContact O-CD1 3.23Å; S449-I498 WeakPolarHBondContact O-CD1 3.43Å
450L97.5Very high97.1Very high20 Ų2026.8 Ų26.811%0.10513%0.128CC..THydrogen-bonded Turntrans5138.3-177.9-51.5179.2000113.4L190 A205 S207 L223 T224 L446 M447 W495 I498L190-L450 HydrophobicContact CD1-CD1 4.09Å; A205-L450 HydrophobicContact CB-CD1 3.65Å; S207-L450 WeakPolarHBondContact CB-O 3.27Å; S207-L450 PolarHBondContact OG-O 3.48Å; L223-L450 HydrophobicContact CB-CB 4.5Å; L223-L450 HydrophobicContact CB-CD2 4.21Å; T224-L450 WeakPolarHBondContact O-CD2 3.36Å; L446-L450 PolarHBondContact O-N 3.25Å; M447-L450 PolarHBondContact O-N 3Å; L450-W495 PolarHBondContact O-NE1 3.28Å; L450-I498 HydrophobicContact CB-CD1 3.75Å; L450-I498 HydrophobicContact CD1-CD1 3.9Å; L450-I498 HydrophobicContact CG-CD1 4.01Å
451R97.5Very high96.9Very high84 Ų8429.6 Ų29.632%0.31714%0.142SC..  trans-104.4157.2179.2-70.5-178.6-65.8178.9-4.5110.9L223 T442 L446 S449 I492 N493L223-R451 WeakPolarHBondContact CD1-O 3.4Å; T442-R451 PolarHBondContact OG1-O 2.68Å; L446-R451 CarbonylContact C-O 3.59Å; L446-R451 HydrophobicContact CB-CB 4.38Å; L446-R451 WeakPolarHBondContact CB-O 3.34Å; L446-R451 HydrophobicContact CD2-CB 4.13Å; L446-R451 PolarHBondContact O-N 3.25Å; S449-R451 WeakPolarHBondContact O-CG 3.44Å; S449-R451 PolarHBondContact O-N 2.03Å; S449-R451 VanDerWaalsContact O-N 3.16Å; R451-I492 HydrophobicContact CB-CG2 4.22Å; R451-N493 WeakPolarHBondContact CD-O 3.42Å; R451-N493 WeakPolarHBondContact CG-O 3.44Å
452F98.3Very high96.8Very high2 Ų232.5 Ų32.51%0.00916%0.158CC..  trans-145.2157.6171.251.1-87000109.5E188 S207 Y221 L223 K440 A441 A454E188-F452 HydrophobicContact CB-CZ 4.32Å; E188-F452 HydrophobicContact CG-CE2 4.07Å; E188-F452 HydrophobicContact CG-CZ 3.86Å; S207-F452 WeakPolarHBondContact OG-CE1 3.3Å; Y221-F452 HydrophobicContact CD1-CD1 4.48Å; Y221-F452 HydrophobicContact CD1-CG 4.48Å; Y221-F452 HydrophobicContact CE1-CB 3.86Å; Y221-F452 HydrophobicContact CE1-CD1 4.04Å; Y221-F452 HydrophobicContact CE1-CD2 4.34Å; Y221-F452 AromaticContact CE1-CG 3.84Å; Y221-F452 HydrophobicContact CE1-CG 3.84Å; L223-F452 HydrophobicContact CD1-CB 4.13Å; L223-F452 HydrophobicContact CD1-CD1 3.71Å; L223-F452 HydrophobicContact CD1-CG 4.4Å; L223-F452 HydrophobicContact CG-CD1 4.22Å; K440-F452 HydrophobicContact CB-CD2 4.05Å; K440-F452 HydrophobicContact CB-CE2 4.46Å; K440-F452 HydrophobicContact CG-CD2 3.94Å; K440-F452 HydrophobicContact CG-CE2 3.86Å; A441-F452 CarbonylContact O-C 3.38Å; A441-F452 VanDerWaalsContact O-CA 3.31Å; A441-F452 WeakPolarHBondContact O-CA 3.17Å; A441-F452 VanDerWaalsContact O-CB 3.31Å; A441-F452 WeakPolarHBondContact O-CB 3.37Å; F452-A454 HydrophobicContact CD2-CB 4.01Å; F452-A454 HydrophobicContact CE2-CB 3.89Å
453V98.2Very high96.8Very high6 Ų633.4 Ų33.44%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-74.8134162.6179.50000108.3M379 I383 K440 A441 L446 P490 I491 I492M379-V453 HydrophobicContact CE-CG2 4.48Å; M379-V453 HydrophobicContact CG-CG2 3.89Å; M379-V453 HydrophobicContact SD-CB 4.44Å; M379-V453 HydrophobicContact SD-CG2 3.95Å; I383-V453 HydrophobicContact CD1-CG1 3.87Å; K440-V453 CarbonylContact C-O 3.53Å; K440-V453 VanDerWaalsContact CA-O 3.25Å; K440-V453 WeakPolarHBondContact CA-O 3.35Å; A441-V453 PolarHBondContact N-O 2.9Å; A441-V453 PolarHBondContact O-N 3.4Å; L446-V453 HydrophobicContact CD1-CG2 4.12Å; V453-P490 HydrophobicContact CG1-CB 3.69Å; V453-I491 CarbonylContact C-O 3.56Å; V453-I491 VanDerWaalsContact CA-O 3.26Å; V453-I491 WeakPolarHBondContact CA-O 3.33Å; V453-I492 HydrophobicContact CB-CG1 4.43Å; V453-I492 HydrophobicContact CG2-CD1 3.92Å; V453-I492 HydrophobicContact CG2-CG1 3.74Å
454A98Very high96.9Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-128.7142.7174.900000112.2W20 E188 L439 F452 P490 I491W20-A454 HydrophobicContact CZ2-CB 4.09Å; E188-A454 VanDerWaalsContact OE1-CB 3.32Å; E188-A454 WeakPolarHBondContact OE1-CB 3.3Å; L439-A454 CarbonylContact O-C 3.55Å; L439-A454 VanDerWaalsContact O-CA 3.25Å; L439-A454 WeakPolarHBondContact O-CA 3.24Å; F452-A454 HydrophobicContact CD2-CB 4.01Å; F452-A454 HydrophobicContact CE2-CB 3.89Å; A454-P490 WeakPolarHBondContact O-CA 3.46Å; A454-I491 HydrophobicContact CB-CG1 4.15Å; A454-I491 PolarHBondContact N-O 3.34Å; A454-I491 WeakPolarHBondContact O-CG1 3.22Å; A454-I491 PolarHBondContact O-N 2.97Å
455I97.6Very high97.1Very high7 Ų736.5 Ų36.54%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-125.8130167-62.7172.2000107.4I383 R387 D438 L439 F488 P490I383-I455 HydrophobicContact CG2-CD1 3.58Å; R387-I455 HydrophobicContact CG-CD1 4.19Å; D438-I455 CarbonylContact C-O 3.51Å; D438-I455 WeakPolarHBondContact CA-O 3.28Å; D438-I455 WeakPolarHBondContact CB-O 3.24Å; L439-I455 HydrophobicContact CB-CB 4.22Å; L439-I455 HydrophobicContact CD2-CD1 4.37Å; L439-I455 HydrophobicContact CD2-CG1 4.45Å; L439-I455 PolarHBondContact N-O 3.17Å; L439-I455 PolarHBondContact O-N 2.99Å; I455-F488 WeakPolarHBondContact CG2-O 3.49Å; I455-P490 HydrophobicContact CD1-CB 4.13Å; I455-P490 HydrophobicContact CG1-CB 3.83Å
456C96.8Very high97.2Very high2 Ų232.2 Ų32.21%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-97139.2173.4-175.60000110.6R19 W20 F488R19-C456 HydrophobicContact CB-CB 4.41Å; R19-C456 WeakPolarHBondContact O-CB 3.23Å; R19-C456 PolarHBondContact O-SG 3.06Å; W20-C456 HydrophobicContact CD2-CB 4.44Å; W20-C456 HydrophobicContact CG-CB 4.45Å; W20-C456 HydrophobicContact CZ2-CB 4.23Å; C456-F488 HydrophobicContact CB-CD2 4.39Å
457G97.3Very high97.3Very high1 Ų133.2 Ų33.21%0.0117%0.168CC..SBendtrans97.6172.9168.900000114.6R387 T437R387-G457 VanDerWaalsContact CZ-O 3.31Å; R387-G457 PolarHBondContact NH1-O 3.16Å; R387-G457 PolarHBondContact NH2-O 3.41Å; T437-G457 CarbonylContact O-C 3.59Å; T437-G457 VanDerWaalsContact O-CA 3.26Å; T437-G457 WeakPolarHBondContact O-CA 3.41Å; T437-G457 PolarHBondContact O-N 3.16Å
458P98.4Very high97.4Very high0 Ų032.6 Ų32.60%017%0.165CC..SBendtrans-65150.2-175.7-20.235.2000113.4Y181 M184 R387 R414 G436 Y460 F466Y181-P458 HydrophobicContact CD1-CG 4.39Å; Y181-P458 HydrophobicContact CE1-CB 4.5Å; Y181-P458 HydrophobicContact CE1-CG 3.87Å; Y181-P458 HydrophobicContact CE2-CG 4.08Å; M184-P458 HydrophobicContact CE-CG 4.38Å; M184-P458 HydrophobicContact SD-CG 3.97Å; R387-P458 PolarHBondContact NH2-O 3.31Å; R414-P458 VanDerWaalsContact CD-CB 3.42Å; G436-P458 VanDerWaalsContact O-CA 3.24Å; G436-P458 WeakPolarHBondContact O-CA 3.39Å; P458-Y460 PolarHBondContact O-N 3.01Å; P458-F466 HydrophobicContact CB-CB 4.13Å; P458-F466 HydrophobicContact CG-CB 3.76Å; P458-F466 HydrophobicContact CG-CD1 4.39Å; P458-F466 HydrophobicContact CG-CG 4.13Å
459T98.7Very high97.6Very high0 Ų028.9 Ų28.90%016%0.157CC..  trans-61.8135.1178.4-1740000111.8R387 N389 S412 R414 L463R387-T459 VanDerWaalsContact CZ-CA 3.47Å; R387-T459 VanDerWaalsContact NH2-CA 3.28Å; R387-T459 VanDerWaalsContact O-CB 3.26Å; R387-T459 WeakPolarHBondContact O-CB 3.33Å; R387-T459 PolarHBondContact O-OG1 3.32Å; N389-T459 HydrophobicContact CB-CG2 3.72Å; S412-T459 WeakPolarHBondContact O-CG2 3.01Å; S412-T459 WeakPolarHBondContact OG-CG2 3.21Å; R414-T459 HydrophobicContact CG-CG2 3.79Å; R414-T459 PolarHBondContact NH1-O 3.1Å; T459-L463 HydrophobicContact CG2-CD1 4.29Å
460Y97.6Very high97.6Very high70 Ų7035.2 Ų35.228%0.27518%0.18SC..  trans-130.716.7179.267-92.3000111.6P458 L463 P465 F488P458-Y460 PolarHBondContact O-N 3.01Å; Y460-L463 CarbonylContact C-O 3.5Å; Y460-L463 VanDerWaalsContact C-O 3.23Å; Y460-L463 VanDerWaalsContact CA-O 3.23Å; Y460-L463 WeakPolarHBondContact CA-O 3.26Å; Y460-P465 HydrophobicContact CG-CB 4.3Å; Y460-F488 PolarHBondContact OH-O 2.9Å
461D96.3Very high97.6Very high58 Ų5835.1 Ų35.131%0.3118%0.181SC..SBendtrans-62.2-55.4-174.7-100.547.1000112R384R384-D461 VanDerWaalsContact CD-OD2 3.23Å; R384-D461 WeakPolarHBondContact CD-OD2 3.39Å; R384-D461 IonicContact CZ-OD2 3.56Å; R384-D461 IonicContact NE-OD2 3.88Å; R384-D461 VanDerWaalsContact NH1-CB 3.28Å; R384-D461 IonicContact NH1-OD2 3.45Å; R384-D461 PolarHBondContact NH1-OD2 3.24Å
462D96.5Very high97.5Very high61 Ų6137.7 Ų37.733%0.32619%0.192SC..SBendtrans-111.611.4174.9-58.9-51.8000111.6R384 N390R384-D462 IonicContact CZ-OD1 3.52Å; R384-D462 IonicContact CZ-OD2 3.72Å; R384-D462 IonicContact NH1-OD1 3.27Å; R384-D462 IonicContact NH1-OD2 3.21Å; R384-D462 IonicContact NH2-OD1 2.77Å; R384-D462 PolarHBondContact NH2-OD1 3.05Å; R384-D462 IonicContact NH2-OD2 2.7Å; R384-D462 PolarHBondContact NH2-OD2 2.72Å; N390-D462 HydrophobicContact CB-CB 4.24Å
463L98.2Very high97.4Very high19 Ų1938.7 Ų38.710%0.09920%0.196CC..SBendtrans-134.4155.7-168.3-64.9178000111N389 F391 R414 L417 T459 Y460N389-L463 HydrophobicContact CB-CD1 3.73Å; N389-L463 WeakPolarHBondContact O-CD1 3.45Å; N389-L463 WeakPolarHBondContact O-CG 3.2Å; F391-L463 HydrophobicContact CD1-CD1 4.39Å; F391-L463 HydrophobicContact CD1-CD2 3.95Å; F391-L463 HydrophobicContact CE1-CD1 4.46Å; F391-L463 HydrophobicContact CE1-CD2 3.7Å; R414-L463 HydrophobicContact CB-CD1 4.06Å; R414-L463 HydrophobicContact CG-CD1 3.64Å; L417-L463 HydrophobicContact CD1-CB 4.13Å; L417-L463 HydrophobicContact CD1-CD1 3.98Å; L417-L463 HydrophobicContact CD1-CD2 4.01Å; L417-L463 HydrophobicContact CD1-CG 4.28Å; T459-L463 HydrophobicContact CG2-CD1 4.29Å; Y460-L463 CarbonylContact C-O 3.5Å; Y460-L463 VanDerWaalsContact C-O 3.23Å; Y460-L463 VanDerWaalsContact CA-O 3.23Å; Y460-L463 WeakPolarHBondContact CA-O 3.26Å
464P97.7Very high97.3Very high76 Ų7640.4 Ų40.449%0.49421%0.208SC..PPolyproline II helixtrans-63141.317327.2-34.5000110.7R414 L417R414-P464 PolarHBondContact NH1-O 2.91Å; R414-P464 PolarHBondContact NH2-O 3.07Å; L417-P464 HydrophobicContact CD1-CG 4.33Å; L417-P464 HydrophobicContact CD2-CG 4.18Å
465P97.8Very high97.2Very high53 Ų5346.6 Ų46.634%0.34425%0.246SC..PPolyproline II helixtrans-61.2141.8173.827-34.7000110.7Y460 L485 F486Y460-P465 HydrophobicContact CG-CB 4.3Å; P465-L485 HydrophobicContact CB-CD1 3.82Å; P465-L485 HydrophobicContact CG-CD1 3.83Å; P465-F486 WeakPolarHBondContact CB-O 3.3Å
466F98.2Very high97Very high4 Ų451.5 Ų51.52%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-67.7135176174.8-99.8000110.1Y181 M184 D416 P458 W468 F486Y181-F466 HydrophobicContact CD2-CD1 4.44Å; Y181-F466 AromaticContact CD2-CD2 3.87Å; Y181-F466 HydrophobicContact CD2-CD2 3.87Å; Y181-F466 HydrophobicContact CD2-CE1 4.15Å; Y181-F466 AromaticContact CD2-CE2 3.53Å; Y181-F466 HydrophobicContact CD2-CE2 3.53Å; Y181-F466 HydrophobicContact CD2-CG 4.31Å; Y181-F466 AromaticContact CD2-CZ 3.69Å; Y181-F466 HydrophobicContact CD2-CZ 3.69Å; Y181-F466 AromaticContact CE2-CD2 3.71Å; Y181-F466 HydrophobicContact CE2-CD2 3.71Å; Y181-F466 AromaticContact CE2-CE2 3.8Å; Y181-F466 HydrophobicContact CE2-CE2 3.8Å; Y181-F466 HydrophobicContact CE2-CG 4.22Å; Y181-F466 HydrophobicContact CE2-CZ 4.38Å; M184-F466 HydrophobicContact CE-CD1 4.1Å; M184-F466 HydrophobicContact CE-CE1 4.02Å; D416-F466 WeakPolarHBondContact OD2-CD2 3.09Å; P458-F466 HydrophobicContact CB-CB 4.13Å; P458-F466 HydrophobicContact CG-CB 3.76Å; P458-F466 HydrophobicContact CG-CD1 4.39Å; P458-F466 HydrophobicContact CG-CG 4.13Å; F466-W468 AromaticContact CE1-CD1 3.89Å; F466-W468 AromaticContact CE1-CD2 3.7Å; F466-W468 HydrophobicContact CE1-CD2 3.7Å; F466-W468 AromaticContact CE1-CE2 3.64Å; F466-W468 HydrophobicContact CE1-CE3 4.27Å; F466-W468 AromaticContact CE1-CG 3.86Å; F466-W468 HydrophobicContact CE1-CG 3.86Å; F466-W468 HydrophobicContact CE1-CZ2 4.16Å; F466-W468 AromaticContact CE1-NE1 3.74Å; F466-W468 AromaticContact CZ-CD2 3.75Å; F466-W468 HydrophobicContact CZ-CD2 3.75Å; F466-W468 AromaticContact CZ-CE2 3.98Å; F466-W468 AromaticContact CZ-CE3 3.83Å; F466-W468 HydrophobicContact CZ-CE3 3.83Å; F466-W468 HydrophobicContact CZ-CG 4.21Å; F466-W468 HydrophobicContact CZ-CH2 4.37Å; F466-W468 HydrophobicContact CZ-CZ2 4.29Å; F466-W468 HydrophobicContact CZ-CZ3 4.15Å; F466-F486 AromaticContact CD1-CD2 3.75Å; F466-F486 HydrophobicContact CD1-CD2 3.75Å; F466-F486 HydrophobicContact CD1-CE2 4.29Å; F466-F486 HydrophobicContact CD1-CG 4.45Å; F466-F486 HydrophobicContact CE1-CD2 4.31Å; F466-F486 HydrophobicContact CE1-CE2 4.41Å; F466-F486 PolarHBondContact O-N 3.31Å
467Q97.7Very high96.9Very high42 Ų4253.3 Ų53.320%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-136.6118.7178-171.5174.25.500110.2S469 K470 S471 D484 L485Q467-S469 WeakPolarHBondContact CG-OG 3.3Å; Q467-S469 PolarHBondContact NE2-OG 2.96Å; Q467-S469 PolarHBondContact O-N 3.44Å; Q467-K470 HydrophobicContact CB-CB 4.37Å; Q467-K470 HydrophobicContact CG-CG 4.38Å; Q467-K470 PolarHBondContact O-N 3.43Å; Q467-K470 VanDerWaalsContact O-N 3.15Å; Q467-S471 PolarHBondContact O-N 3.47Å; Q467-S471 VanDerWaalsContact O-N 3.12Å; Q467-D484 CarbonylContact C-O 3.51Å; Q467-D484 VanDerWaalsContact CA-O 3.22Å; Q467-D484 WeakPolarHBondContact CA-O 3.49Å; Q467-D484 WeakPolarHBondContact CG-OD2 3.45Å; Q467-D484 PolarHBondContact NE2-OD2 2.83Å; Q467-L485 HydrophobicContact CB-CD1 3.91Å; Q467-L485 HydrophobicContact CG-CB 4.38Å; Q467-L485 HydrophobicContact CG-CD1 4.24Å
468W97.6Very high96.8Very high0 Ų055.5 Ų55.50%029%0.29CS..G310 helixtrans-55.4-51.6-176.3-84.8111.7000112Y181 M184 F466 K470 S471 W473 S474 L477 H479 H482 D484 F486Y181-W468 WeakPolarHBondContact O-CZ2 3.38Å; M184-W468 HydrophobicContact CE-CZ2 4.38Å; F466-W468 AromaticContact CE1-CD1 3.89Å; F466-W468 AromaticContact CE1-CD2 3.7Å; F466-W468 HydrophobicContact CE1-CD2 3.7Å; F466-W468 AromaticContact CE1-CE2 3.64Å; F466-W468 HydrophobicContact CE1-CE3 4.27Å; F466-W468 AromaticContact CE1-CG 3.86Å; F466-W468 HydrophobicContact CE1-CG 3.86Å; F466-W468 HydrophobicContact CE1-CZ2 4.16Å; F466-W468 AromaticContact CE1-NE1 3.74Å; F466-W468 AromaticContact CZ-CD2 3.75Å; F466-W468 HydrophobicContact CZ-CD2 3.75Å; F466-W468 AromaticContact CZ-CE2 3.98Å; F466-W468 AromaticContact CZ-CE3 3.83Å; F466-W468 HydrophobicContact CZ-CE3 3.83Å; F466-W468 HydrophobicContact CZ-CG 4.21Å; F466-W468 HydrophobicContact CZ-CH2 4.37Å; F466-W468 HydrophobicContact CZ-CZ2 4.29Å; F466-W468 HydrophobicContact CZ-CZ3 4.15Å; W468-K470 PolarHBondContact O-N 3.28Å; W468-K470 VanDerWaalsContact O-N 3.07Å; W468-S471 WeakPolarHBondContact O-CB 3.26Å; W468-S471 PolarHBondContact O-N 2.99Å; W468-S471 PolarHBondContact O-OG 3.35Å; W468-W473 HydrophobicContact CZ3-CB 4.02Å; W468-S474 WeakPolarHBondContact O-CB 3.23Å; W468-L477 HydrophobicContact CH2-CB 4.42Å; W468-L477 HydrophobicContact CZ3-CB 4.25Å; W468-H479 AromaticContact CD1-CD2 3.81Å; W468-H479 HydrophobicContact CD2-CB 3.97Å; W468-H479 AromaticContact CD2-CD2 3.77Å; W468-H479 AromaticContact CD2-CG 3.59Å; W468-H479 AromaticContact CD2-ND1 3.86Å; W468-H479 VanDerWaalsContact CE2-CB 3.5Å; W468-H479 AromaticContact CE2-CG 3.69Å; W468-H479 HydrophobicContact CE3-CB 4.41Å; W468-H479 AromaticContact CE3-CG 3.91Å; W468-H479 AromaticContact CE3-ND1 3.7Å; W468-H479 AromaticContact CG-CD2 3.62Å; W468-H479 AromaticContact CG-CG 3.97Å; W468-H479 AromaticContact CG-NE2 3.95Å; W468-H479 HydrophobicContact CH2-CB 4.05Å; W468-H479 HydrophobicContact CZ2-CB 3.56Å; W468-H479 HydrophobicContact CZ3-CB 4.44Å; W468-H479 AromaticContact CZ3-ND1 4Å; W468-H482 AromaticContact CE2-ND1 3.88Å; W468-H482 AromaticContact CZ2-ND1 3.8Å; W468-H482 AromaticContact NE1-ND1 3.46Å; W468-H482 PolarHBondContact NE1-ND1 3.09Å; W468-D484 PolarHBondContact N-O 3.18Å; W468-D484 PolarHBondContact N-OD1 3.15Å; W468-F486 AromaticContact CD1-CE2 3.73Å; W468-F486 AromaticContact NE1-CE2 3.52Å
469S97.4Very high96.7Very high68 Ų6858 Ų5848%0.47630%0.302SS..G310 helixtrans-59.7-19.8-178.259.30000114.6Q467 D484Q467-S469 WeakPolarHBondContact CG-OG 3.3Å; Q467-S469 PolarHBondContact NE2-OG 2.96Å; Q467-S469 PolarHBondContact O-N 3.44Å; S469-D484 WeakPolarHBondContact CB-OD1 3.3Å; S469-D484 PolarHBondContact N-OD1 3.45Å; S469-D484 VanDerWaalsContact OG-CG 3.28Å; S469-D484 PolarHBondContact OG-OD1 2.8Å; S469-D484 PolarHBondContact OG-OD2 3.18Å
470K97Very high96.6Very high167 Ų16764.1 Ų64.173%0.72633%0.326SS*.G310 helixtrans-105.8-1.8176.4-63-174.9-176.21530113.6Q467 W468Q467-K470 HydrophobicContact CB-CB 4.37Å; Q467-K470 HydrophobicContact CG-CG 4.38Å; Q467-K470 PolarHBondContact O-N 3.43Å; Q467-K470 VanDerWaalsContact O-N 3.15Å; W468-K470 PolarHBondContact O-N 3.28Å; W468-K470 VanDerWaalsContact O-N 3.07Å
471S97Very high96.4Very high18 Ų1862.5 Ų62.513%0.12633%0.331CS..SBendtrans-85.8157.6179.578.10000111.6Q467 W468 W473 S474Q467-S471 PolarHBondContact O-N 3.47Å; Q467-S471 VanDerWaalsContact O-N 3.12Å; W468-S471 WeakPolarHBondContact O-CB 3.26Å; W468-S471 PolarHBondContact O-N 2.99Å; W468-S471 PolarHBondContact O-OG 3.35Å; S471-W473 PolarHBondContact O-N 3.2Å; S471-W473 VanDerWaalsContact O-N 3.16Å; S471-W473 PolarHBondContact OG-N 3.06Å; S471-S474 PolarHBondContact O-N 2.89Å; S471-S474 PolarHBondContact OG-N 3.21Å
472Y95.8Very high96.4Very high137 Ų13760.8 Ų60.854%0.53732%0.321SS..THydrogen-bonded Turntrans-60.1-21.3172.7-179.1-103.3000113.4K476Y472-K476 HydrophobicContact CD1-CD 4.29Å; Y472-K476 HydrophobicContact CE1-CD 3.99Å; Y472-K476 WeakPolarHBondContact O-CD 3.16Å; Y472-K476 PolarHBondContact OH-NZ 3.19Å
473W96.3Very high96.2Very high24 Ų2458.7 Ų58.79%0.09131%0.31CS..THydrogen-bonded Turntrans-100.54.7-174.1-59.7-86.4000114.7D416 H431 R432 P433 W468 S471 T475 K476 L477D416-W473 HydrophobicContact CB-CH2 4.28Å; D416-W473 HydrophobicContact CB-CZ3 3.73Å; H431-W473 AromaticContact CD2-CH2 3.47Å; H431-W473 VanDerWaalsContact CD2-CH2 3.47Å; H431-W473 WeakPolarHBondContact CD2-CH2 3.15Å; H431-W473 AromaticContact CD2-CZ2 3.59Å; H431-W473 AromaticContact CE1-CH2 3.46Å; H431-W473 VanDerWaalsContact CE1-CH2 3.46Å; H431-W473 WeakPolarHBondContact CE1-CH2 3.47Å; H431-W473 AromaticContact CE1-CZ3 3.94Å; H431-W473 AromaticContact ND1-CH2 3.97Å; H431-W473 AromaticContact NE2-CH2 3.11Å; H431-W473 WeakPolarHBondContact NE2-CH2 3.42Å; H431-W473 AromaticContact NE2-CZ2 3.57Å; H431-W473 AromaticContact NE2-CZ3 3.75Å; R432-W473 WeakPolarHBondContact O-CH2 3.31Å; P433-W473 HydrophobicContact CB-CD2 3.59Å; P433-W473 HydrophobicContact CB-CE3 3.93Å; P433-W473 HydrophobicContact CB-CG 3.95Å; P433-W473 HydrophobicContact CB-CH2 4.33Å; P433-W473 HydrophobicContact CB-CZ2 4.04Å; P433-W473 HydrophobicContact CB-CZ3 4.28Å; P433-W473 HydrophobicContact CG-CD2 4.18Å; P433-W473 HydrophobicContact CG-CG 4.37Å; P433-W473 HydrophobicContact CG-CZ2 4.14Å; W468-W473 HydrophobicContact CZ3-CB 4.02Å; S471-W473 PolarHBondContact O-N 3.2Å; S471-W473 VanDerWaalsContact O-N 3.16Å; S471-W473 PolarHBondContact OG-N 3.06Å; W473-T475 PolarHBondContact O-N 3.4Å; W473-K476 PolarHBondContact O-N 3.23Å; W473-L477 HydrophobicContact CB-CB 4.28Å; W473-L477 HydrophobicContact CB-CD1 3.91Å; W473-L477 HydrophobicContact CB-CG 4.05Å; W473-L477 HydrophobicContact CG-CD1 3.89Å; W473-L477 HydrophobicContact CG-CG 4.27Å; W473-L477 PolarHBondContact O-N 3.21Å
474S96.1Very high96.1Very high42 Ų4260.9 Ų60.929%0.29432%0.322SS..THydrogen-bonded Turntrans-49.9-33.8-177.665.50000114.4W468 S471 H479W468-S474 WeakPolarHBondContact O-CB 3.23Å; S471-S474 PolarHBondContact O-N 2.89Å; S471-S474 PolarHBondContact OG-N 3.21Å; S474-H479 PolarHBondContact O-CE1 3.35Å; S474-H479 VanDerWaalsContact O-CE1 3.29Å
475T94.6Very high96Very high130 Ų13060.4 Ų60.480%0.79832%0.315SS*.THydrogen-bonded Turntrans-117.16.9177.766.90000113.2W473W473-T475 PolarHBondContact O-N 3.4Å
476K94Very high95.9Very high110 Ų11058 Ų5848%0.47830%0.299SS..THydrogen-bonded Turntrans-110.7-24.6-173.5-54.3-170.9-177.3-167.40113Y472 W473Y472-K476 HydrophobicContact CD1-CD 4.29Å; Y472-K476 HydrophobicContact CE1-CD 3.99Å; Y472-K476 WeakPolarHBondContact O-CD 3.16Å; Y472-K476 PolarHBondContact OH-NZ 3.19Å; W473-K476 PolarHBondContact O-N 3.23Å
477L94.3Very high95.8Very high40 Ų4060.4 Ų60.421%0.20932%0.317CS..SBendtrans-122133.8177.1-68.9179000111.1P433 W468 W473 H479P433-L477 HydrophobicContact CB-CD1 3.6Å; P433-L477 HydrophobicContact CG-CD1 3.58Å; W468-L477 HydrophobicContact CH2-CB 4.42Å; W468-L477 HydrophobicContact CZ3-CB 4.25Å; W473-L477 HydrophobicContact CB-CB 4.28Å; W473-L477 HydrophobicContact CB-CD1 3.91Å; W473-L477 HydrophobicContact CB-CG 4.05Å; W473-L477 HydrophobicContact CG-CD1 3.89Å; W473-L477 HydrophobicContact CG-CG 4.27Å; W473-L477 PolarHBondContact O-N 3.21Å; L477-H479 PolarHBondContact O-ND1 3.19Å
478P96Very high95.7Very high46 Ų4659.2 Ų59.230%0.29931%0.311SS..  trans-65.4134.516927.4-32000110.8K57 N58 D182 Y480K57-P478 VanDerWaalsContact O-CG 3.3Å; K57-P478 WeakPolarHBondContact O-CG 3.4Å; N58-P478 PolarHBondContact OD1-O 2.48Å; D182-P478 WeakPolarHBondContact CB-O 3.44Å; P478-Y480 HydrophobicContact CB-CD2 3.96Å; P478-Y480 HydrophobicContact CB-CE2 3.67Å
479H96.3Very high95.5Very high52 Ų5260.7 Ų60.724%0.24133%0.326CS..  trans-144.643.7179.251.3-82.9000110.5N58 W468 S474 L477 G481 H482N58-H479 WeakPolarHBondContact OD1-CA 3.5Å; N58-H479 PolarHBondContact OD1-N 2.92Å; W468-H479 AromaticContact CD1-CD2 3.81Å; W468-H479 HydrophobicContact CD2-CB 3.97Å; W468-H479 AromaticContact CD2-CD2 3.77Å; W468-H479 AromaticContact CD2-CG 3.59Å; W468-H479 AromaticContact CD2-ND1 3.86Å; W468-H479 VanDerWaalsContact CE2-CB 3.5Å; W468-H479 AromaticContact CE2-CG 3.69Å; W468-H479 HydrophobicContact CE3-CB 4.41Å; W468-H479 AromaticContact CE3-CG 3.91Å; W468-H479 AromaticContact CE3-ND1 3.7Å; W468-H479 AromaticContact CG-CD2 3.62Å; W468-H479 AromaticContact CG-CG 3.97Å; W468-H479 AromaticContact CG-NE2 3.95Å; W468-H479 HydrophobicContact CH2-CB 4.05Å; W468-H479 HydrophobicContact CZ2-CB 3.56Å; W468-H479 HydrophobicContact CZ3-CB 4.44Å; W468-H479 AromaticContact CZ3-ND1 4Å; S474-H479 PolarHBondContact O-CE1 3.35Å; S474-H479 VanDerWaalsContact O-CE1 3.29Å; L477-H479 PolarHBondContact O-ND1 3.19Å; H479-G481 PolarHBondContact O-N 2.81Å; H479-H482 HydrophobicContact CB-CB 4.24Å; H479-H482 WeakPolarHBondContact O-CB 3.36Å; H479-H482 PolarHBondContact O-N 3.26Å; H479-H482 VanDerWaalsContact O-N 3.14Å
480Y96Very high95.5Very high130 Ų13061.1 Ų61.151%0.5133%0.328SS..THydrogen-bonded Turntrans-56.3130179.5-62.7-77.5000111K57 N58 P478 H482K57-Y480 HydrophobicContact CB-CD2 3.67Å; K57-Y480 HydrophobicContact CB-CE2 3.9Å; K57-Y480 HydrophobicContact CD-CD2 4.3Å; K57-Y480 HydrophobicContact CD-CE2 4.3Å; N58-Y480 PolarHBondContact ND2-N 2.67Å; N58-Y480 PolarHBondContact ND2-O 2.86Å; N58-Y480 VanDerWaalsContact ND2-O 3.11Å; N58-Y480 WeakPolarHBondContact OD1-CB 3.4Å; N58-Y480 WeakPolarHBondContact OD1-CD2 3.39Å; N58-Y480 PolarHBondContact OD1-N 3.01Å; P478-Y480 HydrophobicContact CB-CD2 3.96Å; P478-Y480 HydrophobicContact CB-CE2 3.67Å; Y480-H482 PolarHBondContact O-N 3.05Å
481G94Very high95.4Very high36 Ų3654 Ų5437%0.37130%0.297SS..THydrogen-bonded Turntrans78.9-1.417900000115.1H479H479-G481 PolarHBondContact O-N 2.81Å
482H95.2Very high95.3Very high22 Ų2257.3 Ų57.310%0.10231%0.313CS..  trans-75.8147.2174.3-67.1-173.1000110.8N58 Y181 D182 L185 W468 H479 Y480 F486N58-H482 PolarHBondContact ND2-NE2 3.37Å; Y181-H482 PolarHBondContact O-CE1 3.33Å; Y181-H482 VanDerWaalsContact O-CE1 3.31Å; D182-H482 PolarHBondContact O-CE1 3.08Å; D182-H482 VanDerWaalsContact O-CE1 3.27Å; L185-H482 PolarHBondContact N-NE2 3.48Å; W468-H482 AromaticContact CE2-ND1 3.88Å; W468-H482 AromaticContact CZ2-ND1 3.8Å; W468-H482 AromaticContact NE1-ND1 3.46Å; W468-H482 PolarHBondContact NE1-ND1 3.09Å; H479-H482 HydrophobicContact CB-CB 4.24Å; H479-H482 WeakPolarHBondContact O-CB 3.36Å; H479-H482 PolarHBondContact O-N 3.26Å; H479-H482 VanDerWaalsContact O-N 3.14Å; Y480-H482 PolarHBondContact O-N 3.05Å; H482-F486 HydrophobicContact CB-CE2 4.4Å; H482-F486 HydrophobicContact CB-CZ 4.08Å
483P93.9Very high95.1Very high16 Ų1651.5 Ų51.510%0.10429%0.291CS..  trans-64150.2160.730.5-34.2000109.7F18 F486 F488F18-P483 WeakPolarHBondContact O-CG 3.41Å; P483-F486 HydrophobicContact CG-CD1 4.21Å; P483-F486 HydrophobicContact CG-CD2 4.28Å; P483-F486 HydrophobicContact CG-CE1 3.8Å; P483-F486 HydrophobicContact CG-CE2 3.86Å; P483-F486 HydrophobicContact CG-CG 4.45Å; P483-F486 HydrophobicContact CG-CZ 3.62Å; P483-F486 WeakPolarHBondContact O-CE2 3.28Å; P483-F488 HydrophobicContact CB-CE2 4.36Å; P483-F488 HydrophobicContact CB-CZ 3.86Å; P483-F488 HydrophobicContact CG-CE2 3.63Å; P483-F488 HydrophobicContact CG-CZ 3.6Å
484D95.1Very high94.8Very high66 Ų6652 Ų5235%0.35330%0.304SS..SBendtrans-68.1-46.9175.6179.846.2000111.2Q467 W468 S469Q467-D484 CarbonylContact C-O 3.51Å; Q467-D484 VanDerWaalsContact CA-O 3.22Å; Q467-D484 WeakPolarHBondContact CA-O 3.49Å; Q467-D484 WeakPolarHBondContact CG-OD2 3.45Å; Q467-D484 PolarHBondContact NE2-OD2 2.83Å; W468-D484 PolarHBondContact N-O 3.18Å; W468-D484 PolarHBondContact N-OD1 3.15Å; S469-D484 WeakPolarHBondContact CB-OD1 3.3Å; S469-D484 PolarHBondContact N-OD1 3.45Å; S469-D484 VanDerWaalsContact OG-CG 3.28Å; S469-D484 PolarHBondContact OG-OD1 2.8Å; S469-D484 PolarHBondContact OG-OD2 3.18Å
485L96.3Very high94.6Very high66 Ų6651 Ų5135%0.34629%0.293SS..EExtended strand (participates in β ladder)trans-106128.2-178.8179.568.1000111.1P465 Q467P465-L485 HydrophobicContact CB-CD1 3.82Å; P465-L485 HydrophobicContact CG-CD1 3.83Å; Q467-L485 HydrophobicContact CB-CD1 3.91Å; Q467-L485 HydrophobicContact CG-CB 4.38Å; Q467-L485 HydrophobicContact CG-CD1 4.24Å
486F96.3Very high94.3Very high1 Ų151.1 Ų51.10%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-103.189.9176.3-73.9-100.6000110.7M184 P465 F466 W468 H482 P483 F488M184-F486 HydrophobicContact CB-CE1 3.94Å; M184-F486 HydrophobicContact CB-CZ 4.02Å; M184-F486 HydrophobicContact CE-CD1 4.32Å; M184-F486 HydrophobicContact CE-CD2 4.18Å; M184-F486 HydrophobicContact CE-CE1 3.9Å; M184-F486 HydrophobicContact CE-CE2 3.76Å; M184-F486 HydrophobicContact CE-CG 4.43Å; M184-F486 HydrophobicContact CE-CZ 3.59Å; M184-F486 HydrophobicContact SD-CD1 4.26Å; M184-F486 HydrophobicContact SD-CE1 3.98Å; M184-F486 HydrophobicContact SD-CZ 4.27Å; P465-F486 WeakPolarHBondContact CB-O 3.3Å; F466-F486 AromaticContact CD1-CD2 3.75Å; F466-F486 HydrophobicContact CD1-CD2 3.75Å; F466-F486 HydrophobicContact CD1-CE2 4.29Å; F466-F486 HydrophobicContact CD1-CG 4.45Å; F466-F486 HydrophobicContact CE1-CD2 4.31Å; F466-F486 HydrophobicContact CE1-CE2 4.41Å; F466-F486 PolarHBondContact O-N 3.31Å; W468-F486 AromaticContact CD1-CE2 3.73Å; W468-F486 AromaticContact NE1-CE2 3.52Å; H482-F486 HydrophobicContact CB-CE2 4.4Å; H482-F486 HydrophobicContact CB-CZ 4.08Å; P483-F486 HydrophobicContact CG-CD1 4.21Å; P483-F486 HydrophobicContact CG-CD2 4.28Å; P483-F486 HydrophobicContact CG-CE1 3.8Å; P483-F486 HydrophobicContact CG-CE2 3.86Å; P483-F486 HydrophobicContact CG-CG 4.45Å; P483-F486 HydrophobicContact CG-CZ 3.62Å; P483-F486 WeakPolarHBondContact O-CE2 3.28Å; F486-F488 HydrophobicContact CD1-CD2 4.2Å; F486-F488 AromaticContact CD1-CE2 3.84Å; F486-F488 HydrophobicContact CD1-CE2 3.84Å; F486-F488 HydrophobicContact CE1-CE2 4.38Å; F486-F488 HydrophobicContact CG-CE2 4.32Å
487S95.7Very high93.8Very high56 Ų5647.8 Ų47.839%0.39227%0.268SS..  trans-132.647.3177.966.60000111.4
488F94.9Very high93.2Very high16 Ų1651.2 Ų51.27%0.0729%0.286CS..PPolyproline II helixtrans-89.7132-174.3-55.9-64.3000112.1N17 F18 R19 I455 C456 Y460 P483 F486N17-F488 HydrophobicContact CB-CE1 4.1Å; F18-F488 WeakPolarHBondContact O-CZ 3.33Å; R19-F488 HydrophobicContact CB-CB 4.2Å; R19-F488 HydrophobicContact CB-CD1 3.83Å; R19-F488 HydrophobicContact CB-CD2 4.14Å; R19-F488 HydrophobicContact CB-CE1 4.24Å; R19-F488 HydrophobicContact CB-CG 3.77Å; I455-F488 WeakPolarHBondContact CG2-O 3.49Å; C456-F488 HydrophobicContact CB-CD2 4.39Å; Y460-F488 PolarHBondContact OH-O 2.9Å; P483-F488 HydrophobicContact CB-CE2 4.36Å; P483-F488 HydrophobicContact CB-CZ 3.86Å; P483-F488 HydrophobicContact CG-CE2 3.63Å; P483-F488 HydrophobicContact CG-CZ 3.6Å; F486-F488 HydrophobicContact CD1-CD2 4.2Å; F486-F488 AromaticContact CD1-CE2 3.84Å; F486-F488 HydrophobicContact CD1-CE2 3.84Å; F486-F488 HydrophobicContact CE1-CE2 4.38Å; F486-F488 HydrophobicContact CG-CE2 4.32Å
489G94.3Very high93.1Very high32 Ų3251.5 Ų51.533%0.3329%0.285SS..PPolyproline II helixtrans-81.6173.4170.300000113.6
490P96Very high92.9Very high77 Ų7751.4 Ų51.450%0.529%0.287SS..PPolyproline II helixtrans-64.4146.7-17826.7-34.4000112.9I383 V453 A454 I455I383-P490 HydrophobicContact CD1-CB 4.26Å; V453-P490 HydrophobicContact CG1-CB 3.69Å; A454-P490 WeakPolarHBondContact O-CA 3.46Å; I455-P490 HydrophobicContact CD1-CB 4.13Å; I455-P490 HydrophobicContact CG1-CB 3.83Å
491I95.2Very high92.7Very high17 Ų1747.1 Ų47.19%0.08728%0.275CS..EExtended strand (participates in β ladder)trans-131.3155.7173.561.1164.6000111W20 F22 V453 A454W20-I491 HydrophobicContact CB-CD1 4.23Å; W20-I491 HydrophobicContact CG-CD1 4.13Å; F22-I491 HydrophobicContact CE1-CD1 3.94Å; F22-I491 HydrophobicContact CZ-CD1 3.63Å; V453-I491 CarbonylContact C-O 3.56Å; V453-I491 VanDerWaalsContact CA-O 3.26Å; V453-I491 WeakPolarHBondContact CA-O 3.33Å; A454-I491 HydrophobicContact CB-CG1 4.15Å; A454-I491 PolarHBondContact N-O 3.34Å; A454-I491 WeakPolarHBondContact O-CG1 3.22Å; A454-I491 PolarHBondContact O-N 2.97Å
492I95.2Very high92.6Very high88 Ų8847.7 Ų47.745%0.45127%0.269SS..EExtended strand (participates in β ladder)trans-125.1117.7164.1-58.7171.7000105.7L446 R451 V453L446-I492 HydrophobicContact CD2-CD1 4.14Å; L446-I492 HydrophobicContact CD2-CG2 4.08Å; R451-I492 HydrophobicContact CB-CG2 4.22Å; V453-I492 HydrophobicContact CB-CG1 4.43Å; V453-I492 HydrophobicContact CG2-CD1 3.92Å; V453-I492 HydrophobicContact CG2-CG1 3.74Å
493N91.2Very high92.5Very high15 Ų1549.3 Ų49.38%0.0828%0.28CS..  trans-73.2138.6175.2-174.333.1000110.7F22 E188 R451 W495F22-N493 HydrophobicContact CD1-CB 3.74Å; F22-N493 VanDerWaalsContact CD1-ND2 3.28Å; F22-N493 WeakPolarHBondContact CD1-ND2 3.48Å; F22-N493 HydrophobicContact CE1-CB 3.58Å; E188-N493 VanDerWaalsContact OE2-CB 3.29Å; E188-N493 WeakPolarHBondContact OE2-CB 3.47Å; R451-N493 WeakPolarHBondContact CD-O 3.42Å; R451-N493 WeakPolarHBondContact CG-O 3.44Å; N493-W495 WeakPolarHBondContact ND2-CH2 3.18Å; N493-W495 WeakPolarHBondContact ND2-CZ3 3.41Å
494G90.5Very high92.4Very high35 Ų3551.5 Ų51.536%0.36129%0.292SS..  trans-98.2100.8168.500000109R11R11-G494 PolarHBondContact NH1-O 2.65Å; R11-G494 VanDerWaalsContact NH1-O 3.13Å; R11-G494 PolarHBondContact NH2-O 2.96Å
495W91.1Very high92.2Very high20 Ų2050.5 Ų50.58%0.07629%0.287CS..  trans-55.4144.5172.6-59.2124000110.8E24 E188 L190 S207 L450 N493 I498E24-W495 HydrophobicContact CG-CE3 3.48Å; E24-W495 VanDerWaalsContact CG-CE3 3.48Å; E24-W495 HydrophobicContact CG-CZ3 3.76Å; E188-W495 HydrophobicContact CB-CH2 3.84Å; E188-W495 HydrophobicContact CB-CZ2 4.4Å; L190-W495 HydrophobicContact CB-CD2 3.89Å; L190-W495 HydrophobicContact CB-CE3 3.72Å; L190-W495 HydrophobicContact CB-CH2 4.07Å; L190-W495 HydrophobicContact CB-CZ2 4.22Å; L190-W495 HydrophobicContact CB-CZ3 3.8Å; L190-W495 HydrophobicContact CD2-CB 3.9Å; L190-W495 HydrophobicContact CD2-CD2 4Å; L190-W495 HydrophobicContact CD2-CE3 4.23Å; L190-W495 HydrophobicContact CD2-CG 3.85Å; L190-W495 HydrophobicContact CG-CD2 4.49Å; S207-W495 WeakPolarHBondContact OG-CZ2 3.48Å; S207-W495 PolarHBondContact OG-NE1 3.1Å; L450-W495 PolarHBondContact O-NE1 3.28Å; N493-W495 WeakPolarHBondContact ND2-CH2 3.18Å; N493-W495 WeakPolarHBondContact ND2-CZ3 3.41Å; W495-I498 HydrophobicContact CB-CB 4.21Å; W495-I498 HydrophobicContact CB-CD1 4.24Å; W495-I498 HydrophobicContact CB-CG1 4.19Å; W495-I498 HydrophobicContact CG-CD1 4.22Å
496K89.9Confident91.9Very high133 Ų13349.3 Ų49.358%0.57828%0.283SS*.SBendtrans-90.7-23.8176.2-68.8-57.3-172-179.40112.4E24E24-K496 VanDerWaalsContact CD-N 3.32Å; E24-K496 PolarHBondContact OE1-N 2.89Å; E24-K496 VanDerWaalsContact OE1-N 3.11Å; E24-K496 WeakPolarHBondContact OE2-CA 3.43Å; E24-K496 PolarHBondContact OE2-N 2.93Å
497F83.2Confident91.5Very high39 Ų3953.3 Ų53.317%0.17131%0.306CS..  trans-97.611.7-176.8-55.9-17.6000114.2V7 Q9 E24 E26 L190 K192V7-F497 HydrophobicContact CG1-CZ 3.98Å; Q9-F497 HydrophobicContact CB-CE1 4.43Å; Q9-F497 HydrophobicContact CB-CZ 3.85Å; E24-F497 HydrophobicContact CB-CD2 3.56Å; E24-F497 HydrophobicContact CB-CE2 3.48Å; E24-F497 VanDerWaalsContact CB-CE2 3.48Å; E24-F497 HydrophobicContact CB-CG 4.31Å; E24-F497 HydrophobicContact CB-CZ 4.16Å; E24-F497 PolarHBondContact OE2-N 2.82Å; E26-F497 HydrophobicContact CB-CD2 3.91Å; E26-F497 HydrophobicContact CB-CE2 4.1Å; L190-F497 HydrophobicContact CD2-CB 4.33Å; K192-F497 HydrophobicContact CD-CB 3.65Å; K192-F497 WeakPolarHBondContact CD-O 3.36Å; K192-F497 PolarHBondContact NZ-O 3Å
498I81.1Confident91.1Very high112 Ų11253.1 Ų53.157%0.57430%0.298SS*.  trans-120.80176.9-62.7-176.6000110.8L190 S449 L450 W495L190-I498 HydrophobicContact CD1-CD1 3.97Å; L190-I498 HydrophobicContact CD2-CD1 3.78Å; L190-I498 HydrophobicContact CD2-CG1 3.79Å; S449-I498 VanDerWaalsContact O-CD1 3.23Å; S449-I498 WeakPolarHBondContact O-CD1 3.43Å; L450-I498 HydrophobicContact CB-CD1 3.75Å; L450-I498 HydrophobicContact CD1-CD1 3.9Å; L450-I498 HydrophobicContact CG-CD1 4.01Å; W495-I498 HydrophobicContact CB-CB 4.21Å; W495-I498 HydrophobicContact CB-CD1 4.24Å; W495-I498 HydrophobicContact CB-CG1 4.19Å; W495-I498 HydrophobicContact CG-CD1 4.22Å

Retrieved 498 of 498 residues in 1064.1 ms (Link to these results)

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