A0A077Z9K0_TRITR Loading...

S-adenosylmethionine decarboxylase proenzyme

AlphaFold DB , UniProt , Accession A0A077Z9K0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low65.3Low236 Ų23698.4 Ų98.4100%1.16352%0.523SS*.  0104.10-67.5175.2-168.900106.6H3M1-H3 PolarHBondContact O-N 3Å
2S43.2Very low67.9Low97 Ų9790.2 Ų90.268%0.67848%0.48SS*.  trans-63.1119.7174.248.60000107.6V4S2-V4 PolarHBondContact O-N 3.29Å
3H40.4Very low70.1Confident196 Ų19683.4 Ų83.491%0.90744%0.443SS*.  trans-61.290.3163.7-71.4-75000106.6M1 N5M1-H3 PolarHBondContact O-N 3Å; H3-N5 PolarHBondContact O-N 2.88Å
4V44.3Very low72.1Confident70 Ų7077.4 Ų77.442%0.42441%0.412SS..  trans-64.3109.5168.2-177.60000103.7S2 V6S2-V4 PolarHBondContact O-N 3.29Å; V4-V6 PolarHBondContact O-N 3.37Å
5N49.7Very low73.8Confident119 Ų11973.1 Ų73.164%0.63639%0.388SS*.  trans-55.2113.1170.5-145.2-7.5000104.8H3 N7 F8H3-N5 PolarHBondContact O-N 2.88Å; N5-N7 PolarHBondContact O-N 3.27Å; N5-F8 PolarHBondContact O-N 3.32Å; N5-F8 VanDerWaalsContact O-N 3.11Å
6V54Low75.4Confident137 Ų13768.5 Ų68.583%0.8336%0.364SS*.THydrogen-bonded Turntrans-60.3-8-170.5-174.70000111.5V4V4-V6 PolarHBondContact O-N 3.37Å
7N78.6Confident76.7Confident123 Ų12364.9 Ų64.966%0.65835%0.345SS*.THydrogen-bonded Turntrans-110.311.3-175.1-59-2.6000114.3N5 F9N5-N7 PolarHBondContact O-N 3.27Å; N7-F9 PolarHBondContact O-N 2.9Å
8F90.1Very high77.9Confident47 Ų4761.3 Ų61.321%0.20633%0.326CS..  trans-71.2127177.3176.6-96.6000111.1N5 E10 L116 R117 L120 H249N5-F8 PolarHBondContact O-N 3.32Å; N5-F8 VanDerWaalsContact O-N 3.11Å; F8-E10 HydrophobicContact CE1-CB 3.98Å; F8-E10 HydrophobicContact CZ-CB 4.18Å; F8-L116 HydrophobicContact CE2-CB 4.21Å; F8-L116 HydrophobicContact CZ-CB 3.96Å; F8-R117 HydrophobicContact CD1-CB 4.32Å; F8-R117 HydrophobicContact CD1-CG 4.07Å; F8-R117 HydrophobicContact CD2-CG 4.19Å; F8-R117 HydrophobicContact CE1-CB 3.59Å; F8-R117 HydrophobicContact CE1-CG 3.53Å; F8-R117 HydrophobicContact CE2-CG 3.67Å; F8-R117 HydrophobicContact CG-CG 4.37Å; F8-R117 HydrophobicContact CZ-CB 3.73Å; F8-R117 HydrophobicContact CZ-CG 3.31Å; F8-L120 HydrophobicContact CD1-CD1 3.53Å; F8-L120 HydrophobicContact CE1-CD1 3.97Å; F8-L120 HydrophobicContact CG-CD1 4.39Å; F8-H249 HydrophobicContact CD2-CB 4.38Å; F8-H249 AromaticContact CD2-CD2 3.76Å; F8-H249 HydrophobicContact CE2-CB 4.06Å
9F92.4Very high78.9Confident53 Ų5359.1 Ų59.123%0.23231%0.312CS..  trans-122.9131.8171.6-178.9-91000109.5N7 G11 E65 C80 T244 H249N7-F9 PolarHBondContact O-N 2.9Å; F9-G11 PolarHBondContact O-N 2.99Å; F9-E65 WeakPolarHBondContact CE2-OE2 3.05Å; F9-E65 WeakPolarHBondContact CZ-OE2 3.21Å; F9-C80 HydrophobicContact CE1-CB 4.31Å; F9-C80 HydrophobicContact CZ-CB 4.24Å; F9-T244 HydrophobicContact CD1-CG2 3.66Å; F9-T244 HydrophobicContact CE1-CG2 4.34Å; F9-H249 PolarHBondContact O-ND1 3.34Å
10E95.4Very high79.8Confident4 Ų456.3 Ų56.32%0.01930%0.297CS..  trans-83.6100.2177.3-17863.5-104.700109.7F8 V12 G81 F115 L116 R117F8-E10 HydrophobicContact CE1-CB 3.98Å; F8-E10 HydrophobicContact CZ-CB 4.18Å; E10-V12 VanDerWaalsContact C-N 3.26Å; E10-V12 HydrophobicContact CG-CB 4.25Å; E10-V12 PolarHBondContact O-N 2.82Å; E10-V12 WeakPolarHBondContact OE1-CB 3.49Å; E10-V12 VanDerWaalsContact OE1-CG2 3.23Å; E10-V12 WeakPolarHBondContact OE1-CG2 3.3Å; E10-V12 PolarHBondContact OE1-N 3.31Å; E10-G81 WeakPolarHBondContact O-CA 3.46Å; E10-G81 PolarHBondContact O-N 2.88Å; E10-F115 HydrophobicContact CG-CB 4.49Å; E10-F115 HydrophobicContact CG-CD1 3.82Å; E10-F115 WeakPolarHBondContact OE2-CB 3.39Å; E10-L116 PolarHBondContact OE1-N 3.24Å; E10-L116 PolarHBondContact OE2-N 3.49Å; E10-R117 PolarHBondContact OE2-N 3.46Å
11G95Very high80.5Confident0 Ų056.7 Ų56.70%030%0.298CS..  trans-71.8-17.3179.200000114.4F9 E13 T244 Y251F9-G11 PolarHBondContact O-N 2.99Å; G11-E13 PolarHBondContact O-N 2.8Å; G11-E13 VanDerWaalsContact O-N 3.16Å; G11-T244 WeakPolarHBondContact CA-OG1 3.36Å; G11-Y251 WeakPolarHBondContact O-CD1 2.98Å; G11-Y251 WeakPolarHBondContact O-CE1 3.08Å
12V96.6Very high83.3Confident0 Ų046.5 Ų46.50%025%0.25CC..PPolyproline II helixtrans-61.1120180171.70000110.9E10 K113 F115 Y251E10-V12 VanDerWaalsContact C-N 3.26Å; E10-V12 HydrophobicContact CG-CB 4.25Å; E10-V12 PolarHBondContact O-N 2.82Å; E10-V12 WeakPolarHBondContact OE1-CB 3.49Å; E10-V12 VanDerWaalsContact OE1-CG2 3.23Å; E10-V12 WeakPolarHBondContact OE1-CG2 3.3Å; E10-V12 PolarHBondContact OE1-N 3.31Å; V12-K113 HydrophobicContact CG1-CB 3.83Å; V12-K113 VanDerWaalsContact CG1-O 3.32Å; V12-K113 WeakPolarHBondContact CG1-O 3.45Å; V12-K113 HydrophobicContact CG2-CB 4.47Å; V12-K113 HydrophobicContact CG2-CD 4.28Å; V12-F115 HydrophobicContact CB-CD1 3.94Å; V12-F115 HydrophobicContact CB-CE1 4.32Å; V12-F115 HydrophobicContact CG1-CD1 3.82Å; V12-F115 HydrophobicContact CG1-CE1 3.85Å; V12-Y251 HydrophobicContact CG2-CD2 4.22Å; V12-Y251 HydrophobicContact CG2-CE2 3.72Å
13E96.3Very high85.3Confident2 Ų246.5 Ų46.51%0.00925%0.25CC..PPolyproline II helixtrans-81.3144.2178.1-65.5-173.2136.800112.4G11 S66 K78 T79 C80 H112 H242 S253G11-E13 PolarHBondContact O-N 2.8Å; G11-E13 VanDerWaalsContact O-N 3.16Å; E13-S66 WeakPolarHBondContact OE1-CB 3.48Å; E13-S66 PolarHBondContact OE1-OG 3.3Å; E13-K78 WeakPolarHBondContact OE2-CE 3.35Å; E13-K78 IonicContact OE2-NZ 3.23Å; E13-K78 PolarHBondContact OE2-NZ 2.87Å; E13-T79 CarbonylContact C-O 3.42Å; E13-T79 VanDerWaalsContact CA-O 3.32Å; E13-T79 WeakPolarHBondContact CA-O 3.41Å; E13-C80 HydrophobicContact CG-CB 4.15Å; E13-H112 VanDerWaalsContact O-CB 3.24Å; E13-H112 WeakPolarHBondContact O-CB 3.43Å; E13-H242 WeakPolarHBondContact OE1-CB 3.18Å; E13-H242 IonicContact OE1-CD2 2.93Å; E13-H242 IonicContact OE1-CG 3.3Å; E13-S253 PolarHBondContact OE1-OG 3.17Å; E13-S253 WeakPolarHBondContact OE2-CB 3.46Å; E13-S253 PolarHBondContact OE2-OG 2.64Å
14K97.7Very high87.6Confident0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-101.4127.2163.5-54.1174.1-165.869.60107.4K78 T79 G81 L85 Y110 H112 F115K14-K78 VanDerWaalsContact O-CA 3.31Å; K14-K78 WeakPolarHBondContact O-CA 3.24Å; K14-T79 PolarHBondContact N-O 3.32Å; K14-T79 PolarHBondContact O-N 3Å; K14-G81 PolarHBondContact NZ-O 2.78Å; K14-L85 HydrophobicContact CB-CD1 3.97Å; K14-L85 HydrophobicContact CD-CB 4.43Å; K14-L85 WeakPolarHBondContact O-CD1 3.17Å; K14-Y110 HydrophobicContact CB-CE2 4.18Å; K14-H112 HydrophobicContact CB-CB 4.5Å; K14-H112 HydrophobicContact CG-CB 4.23Å; K14-F115 HydrophobicContact CD-CZ 4.2Å; K14-F115 HydrophobicContact CG-CE1 4.13Å; K14-F115 HydrophobicContact CG-CZ 3.99Å
15L98.5Very high89.7Confident12 Ų1245.8 Ų45.86%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-103.4133.6173.9173.971.3000108.7V76 K78 Y110 S111L15-V76 HydrophobicContact CD1-CG1 3.45Å; L15-V76 VanDerWaalsContact CD1-CG1 3.45Å; L15-K78 HydrophobicContact CD1-CD 3.88Å; L15-K78 HydrophobicContact CD1-CG 3.51Å; L15-Y110 VanDerWaalsContact O-CA 3.28Å; L15-Y110 WeakPolarHBondContact O-CA 3.26Å; L15-Y110 WeakPolarHBondContact O-CD2 3.48Å; L15-S111 WeakPolarHBondContact CD2-OG 3.13Å; L15-S111 PolarHBondContact N-O 3.25Å; L15-S111 PolarHBondContact O-N 3.38Å
16L98.7Very high91.7Very high0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-123.3123.5161.1170.271.1000108.2V18 V76 L77 L85 I89 V108 F109L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.22Å; L16-V18 HydrophobicContact CG-CG2 3.87Å; L16-V76 CarbonylContact O-C 3.13Å; L16-V76 WeakPolarHBondContact O-CA 3.37Å; L16-L77 PolarHBondContact N-O 3.4Å; L16-L77 PolarHBondContact O-N 2.71Å; L16-L85 HydrophobicContact CB-CD1 4.11Å; L16-L85 HydrophobicContact CB-CD2 3.46Å; L16-L85 VanDerWaalsContact CB-CD2 3.46Å; L16-L85 HydrophobicContact CB-CG 4.23Å; L16-L85 HydrophobicContact CD2-CD2 4.08Å; L16-L85 HydrophobicContact CG-CD2 4.29Å; L16-I89 HydrophobicContact CD1-CD1 4.04Å; L16-I89 HydrophobicContact CD1-CG1 4.17Å; L16-I89 HydrophobicContact CD2-CD1 4.32Å; L16-I89 HydrophobicContact CD2-CG1 3.63Å; L16-V108 HydrophobicContact CD1-CG1 4.03Å; L16-F109 CarbonylContact C-O 3.59Å; L16-F109 WeakPolarHBondContact CA-O 3.47Å
17E98.2Very high93.7Very high8 Ų838.7 Ų38.74%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-124.6125172.8174169.117500108.7W19 R74 F75 V76 V108 F109E17-W19 PolarHBondContact OE1-NE1 3.43Å; E17-R74 HydrophobicContact CG-CG 4.15Å; E17-R74 WeakPolarHBondContact OE1-CD 3.35Å; E17-F75 CarbonylContact C-O 3.59Å; E17-F75 VanDerWaalsContact CA-O 3.28Å; E17-F75 WeakPolarHBondContact CA-O 3.38Å; E17-V76 HydrophobicContact CB-CG2 4.31Å; E17-V76 HydrophobicContact CG-CG2 4.01Å; E17-V108 CarbonylContact O-C 3.47Å; E17-V108 WeakPolarHBondContact O-CA 3.28Å; E17-F109 HydrophobicContact CB-CB 4.23Å; E17-F109 HydrophobicContact CB-CD2 4.41Å; E17-F109 HydrophobicContact CG-CD2 4.17Å; E17-F109 PolarHBondContact N-O 3.46Å; E17-F109 PolarHBondContact O-N 2.88Å
18V98.3Very high94.6Very high0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-125.6128.3-177.2-173.40000109L16 F20 R74 F75 L92 L93 V105 V108L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.22Å; L16-V18 HydrophobicContact CG-CG2 3.87Å; V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 4.21Å; V18-F20 HydrophobicContact CG1-CD2 4.06Å; V18-F20 HydrophobicContact CG1-CE1 4.17Å; V18-F20 HydrophobicContact CG1-CE2 3.47Å; V18-F20 VanDerWaalsContact CG1-CE2 3.47Å; V18-F20 HydrophobicContact CG1-CZ 3.53Å; V18-R74 WeakPolarHBondContact O-CA 3.24Å; V18-F75 PolarHBondContact N-O 3.17Å; V18-F75 PolarHBondContact O-N 3.2Å; V18-L92 HydrophobicContact CB-CD2 4.25Å; V18-L92 HydrophobicContact CG2-CD2 3.97Å; V18-L93 HydrophobicContact CG1-CD2 4.4Å; V18-V105 HydrophobicContact CG1-CG1 3.99Å; V18-V105 HydrophobicContact CG1-CG2 4.36Å; V18-V108 HydrophobicContact CG1-CG2 4.38Å
19W97.3Very high94.9Very high18 Ų1836.6 Ų36.67%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-109.7125.5179.7-65.815.7000109.1E17 R73 V105 A106 N107 F109 I167 P168 D171E17-W19 PolarHBondContact OE1-NE1 3.43Å; W19-R73 WeakPolarHBondContact CA-O 3.3Å; W19-V105 CarbonylContact O-C 3.52Å; W19-V105 WeakPolarHBondContact O-CA 3.19Å; W19-A106 HydrophobicContact CB-CB 4.24Å; W19-A106 PolarHBondContact O-N 3.14Å; W19-N107 HydrophobicContact CB-CB 4.37Å; W19-N107 HydrophobicContact CD2-CB 4.5Å; W19-N107 HydrophobicContact CE3-CB 4.37Å; W19-N107 PolarHBondContact N-O 2.75Å; W19-N107 PolarHBondContact O-N 3.49Å; W19-F109 HydrophobicContact CD2-CE2 4.3Å; W19-F109 AromaticContact CE2-CE2 3.86Å; W19-F109 HydrophobicContact CH2-CE2 4.45Å; W19-F109 AromaticContact CZ2-CE2 3.98Å; W19-F109 HydrophobicContact CZ2-CE2 3.98Å; W19-I167 HydrophobicContact CH2-CG2 4.1Å; W19-I167 HydrophobicContact CZ3-CB 4.39Å; W19-I167 HydrophobicContact CZ3-CG1 4.48Å; W19-I167 HydrophobicContact CZ3-CG2 3.96Å; W19-P168 HydrophobicContact CH2-CG 4.16Å; W19-P168 HydrophobicContact CZ3-CG 4.03Å; W19-D171 HydrophobicContact CH2-CB 4.13Å; W19-D171 VanDerWaalsContact CH2-CG 3.45Å; W19-D171 VanDerWaalsContact CH2-OD2 3.27Å; W19-D171 WeakPolarHBondContact CH2-OD2 3.17Å
20F97Very high95.2Very high3 Ų334.1 Ų34.11%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-107.1147-174.8-69.2-89.5000111.3V18 L30 R73 F75 L92 L93 A96 L102 Q104 V105V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 4.21Å; V18-F20 HydrophobicContact CG1-CD2 4.06Å; V18-F20 HydrophobicContact CG1-CE1 4.17Å; V18-F20 HydrophobicContact CG1-CE2 3.47Å; V18-F20 VanDerWaalsContact CG1-CE2 3.47Å; V18-F20 HydrophobicContact CG1-CZ 3.53Å; F20-L30 HydrophobicContact CD2-CD1 3.73Å; F20-L30 HydrophobicContact CD2-CD2 4.05Å; F20-L30 HydrophobicContact CD2-CG 4.4Å; F20-L30 HydrophobicContact CE2-CD1 4.13Å; F20-L30 HydrophobicContact CE2-CD2 4.16Å; F20-L30 HydrophobicContact CG-CD2 4.42Å; F20-R73 PolarHBondContact N-O 2.93Å; F20-F75 HydrophobicContact CE2-CB 4.21Å; F20-L92 HydrophobicContact CE2-CD2 4.38Å; F20-L92 HydrophobicContact CE2-CG 4.48Å; F20-L92 HydrophobicContact CZ-CD2 4.17Å; F20-L92 HydrophobicContact CZ-CG 4Å; F20-L93 HydrophobicContact CE1-CD2 3.62Å; F20-L93 HydrophobicContact CZ-CD2 3.87Å; F20-A96 HydrophobicContact CD1-CB 3.95Å; F20-A96 HydrophobicContact CE1-CB 3.5Å; F20-A96 HydrophobicContact CZ-CB 3.83Å; F20-L102 HydrophobicContact CB-CB 4.06Å; F20-L102 HydrophobicContact CB-CD1 3.85Å; F20-L102 HydrophobicContact CB-CD2 4.28Å; F20-L102 HydrophobicContact CB-CG 4.28Å; F20-L102 HydrophobicContact CD1-CB 4.09Å; F20-L102 HydrophobicContact CG-CB 4.35Å; F20-L102 HydrophobicContact CG-CD1 4.3Å; F20-Q104 WeakPolarHBondContact CA-O 3.3Å; F20-V105 HydrophobicContact CD1-CG2 4.48Å; F20-V105 HydrophobicContact CE1-CG2 4.32Å
21E94Very high95.3Very high65 Ų6536.8 Ų36.830%0.30420%0.201SC..EExtended strand (participates in β ladder)trans-134.5165.9170.9-79-65.7172.200109.9Q104 A106E21-Q104 HydrophobicContact CB-CB 4.26Å; E21-Q104 PolarHBondContact N-O 3.06Å; E21-Q104 PolarHBondContact O-N 2.78Å; E21-A106 HydrophobicContact CB-CB 4.39Å; E21-A106 HydrophobicContact CG-CB 3.67Å
22S92.9Very high95.4Very high22 Ų2240 Ų4015%0.15422%0.223CC..  trans-157136.7171.4-176.80000110.2R24 N101S22-R24 WeakPolarHBondContact OG-CB 3.25Å; S22-R24 PolarHBondContact OG-N 3.19Å; S22-N101 VanDerWaalsContact CB-O 3.3Å; S22-N101 WeakPolarHBondContact CB-O 3.36Å; S22-N101 PolarHBondContact OG-O 2.64Å
23S85.7Confident95.5Very high98 Ų9840.3 Ų40.369%0.68523%0.225SC*.SBendtrans-81-4.116959.90000112.5
24R89.1Confident95.6Very high115 Ų11542.3 Ų42.343%0.43424%0.238SC..  trans-83131.4-175.6-56.6179.7-171-167.54109.8S22 T26 A27 D103S22-R24 WeakPolarHBondContact OG-CB 3.25Å; S22-R24 PolarHBondContact OG-N 3.19Å; R24-T26 PolarHBondContact O-N 3.29Å; R24-T26 VanDerWaalsContact O-N 3.12Å; R24-A27 VanDerWaalsContact O-CB 3.27Å; R24-A27 WeakPolarHBondContact O-CB 3.22Å; R24-A27 PolarHBondContact O-N 3.02Å; R24-A27 VanDerWaalsContact O-N 3.11Å; R24-D103 IonicContact CZ-OD2 3.17Å; R24-D103 IonicContact NE-OD2 2.86Å; R24-D103 PolarHBondContact NE-OD2 3.21Å; R24-D103 IonicContact NH2-OD2 2.77Å; R24-D103 PolarHBondContact NH2-OD2 2.81Å
25P88.6Confident95.6Very high135 Ų13544.6 Ų44.688%0.87725%0.249SC*.THydrogen-bonded Turntrans-67.2-13.1176.828.6-35.2000113A27P25-A27 VanDerWaalsContact C-N 3.3Å
26T92.5Very high95.6Very high85 Ų8549.5 Ų49.552%0.52127%0.272SS..THydrogen-bonded Turntrans-90.911.7176.561.40000112.9R24 E28 N101R24-T26 PolarHBondContact O-N 3.29Å; R24-T26 VanDerWaalsContact O-N 3.12Å; T26-E28 PolarHBondContact O-N 3.46Å; T26-N101 PolarHBondContact O-ND2 3.1Å; T26-N101 PolarHBondContact OG1-ND2 2.87Å
27A95Very high95.6Very high23 Ų2351.1 Ų51.119%0.1928%0.28CS..PPolyproline II helixtrans-68.4117.3179.300000111.4R24 P25 R73 C100 L102R24-A27 VanDerWaalsContact O-CB 3.27Å; R24-A27 WeakPolarHBondContact O-CB 3.22Å; R24-A27 PolarHBondContact O-N 3.02Å; R24-A27 VanDerWaalsContact O-N 3.11Å; P25-A27 VanDerWaalsContact C-N 3.3Å; A27-R73 PolarHBondContact O-NH2 2.97Å; A27-R73 VanDerWaalsContact O-NH2 3.07Å; A27-C100 CarbonylContact C-O 3.55Å; A27-C100 VanDerWaalsContact CA-O 3.31Å; A27-C100 WeakPolarHBondContact CA-O 3.32Å; A27-L102 HydrophobicContact CB-CD2 4.22Å
28E97Very high95.6Very high104 Ų10450.8 Ų50.849%0.48628%0.278SS..PPolyproline II helixtrans-101.1168.4-179.2-59.6-162.3123.100111.4T26 R73 C100T26-E28 PolarHBondContact O-N 3.46Å; E28-R73 VanDerWaalsContact C-NH1 3.31Å; E28-R73 PolarHBondContact O-NH1 3.03Å; E28-C100 PolarHBondContact N-O 3.29Å
29S97.4Very high95.6Very high22 Ų2255.4 Ų55.415%0.15430%0.299CS..PPolyproline II helixtrans-62.9143.2175.9178.50000111.1R31 C32 D72 C100S29-R31 PolarHBondContact O-N 2.66Å; S29-R31 VanDerWaalsContact O-N 3.09Å; S29-R31 VanDerWaalsContact OG-CB 3.32Å; S29-R31 WeakPolarHBondContact OG-CB 3.47Å; S29-R31 WeakPolarHBondContact OG-CG 3.42Å; S29-R31 PolarHBondContact OG-N 2.74Å; S29-R31 VanDerWaalsContact OG-N 3.12Å; S29-C32 VanDerWaalsContact O-CB 3.26Å; S29-C32 WeakPolarHBondContact O-CB 3.16Å; S29-C32 PolarHBondContact O-N 2.96Å; S29-D72 VanDerWaalsContact CB-OD1 3.24Å; S29-D72 WeakPolarHBondContact CB-OD1 3.32Å; S29-D72 WeakPolarHBondContact OG-CA 3.35Å; S29-D72 PolarHBondContact OG-OD1 3.42Å; S29-C100 PolarHBondContact O-SG 2.99Å
30L98.5Very high95.7Very high1 Ų160.8 Ų60.81%0.00532%0.32CS..G310 helixtrans-56.7-22.9167.7-66.5164.4000112.2F20 C32 I33 V70 S71 D72 F75 A96 L102F20-L30 HydrophobicContact CD2-CD1 3.73Å; F20-L30 HydrophobicContact CD2-CD2 4.05Å; F20-L30 HydrophobicContact CD2-CG 4.4Å; F20-L30 HydrophobicContact CE2-CD1 4.13Å; F20-L30 HydrophobicContact CE2-CD2 4.16Å; F20-L30 HydrophobicContact CG-CD2 4.42Å; L30-C32 PolarHBondContact O-N 3.32Å; L30-I33 HydrophobicContact CB-CD1 4.41Å; L30-I33 HydrophobicContact CD2-CD1 4.01Å; L30-I33 VanDerWaalsContact O-CB 3.3Å; L30-I33 WeakPolarHBondContact O-CB 3.23Å; L30-I33 WeakPolarHBondContact O-CD1 3.29Å; L30-I33 VanDerWaalsContact O-CG1 3.26Å; L30-I33 WeakPolarHBondContact O-CG1 3.36Å; L30-I33 PolarHBondContact O-N 3Å; L30-I33 VanDerWaalsContact O-N 3.12Å; L30-V70 HydrophobicContact CB-CG1 3.66Å; L30-S71 WeakPolarHBondContact CB-O 3.4Å; L30-D72 PolarHBondContact N-O 3.37Å; L30-D72 VanDerWaalsContact N-O 3.09Å; L30-F75 HydrophobicContact CD1-CB 4.19Å; L30-A96 HydrophobicContact CD2-CB 3.71Å; L30-L102 HydrophobicContact CD2-CD1 3.5Å; L30-L102 VanDerWaalsContact CD2-CD1 3.5Å; L30-L102 HydrophobicContact CG-CD1 3.66Å
31R97.9Very high95.7Very high60 Ų6060.8 Ų60.823%0.22632%0.32CS..G310 helixtrans-70.5-9.2177.2-56.4177.162.5-164.15.9113.4S29 I33 C55 E56 D59 V70S29-R31 PolarHBondContact O-N 2.66Å; S29-R31 VanDerWaalsContact O-N 3.09Å; S29-R31 VanDerWaalsContact OG-CB 3.32Å; S29-R31 WeakPolarHBondContact OG-CB 3.47Å; S29-R31 WeakPolarHBondContact OG-CG 3.42Å; S29-R31 PolarHBondContact OG-N 2.74Å; S29-R31 VanDerWaalsContact OG-N 3.12Å; R31-I33 VanDerWaalsContact C-N 3.27Å; R31-C55 PolarHBondContact NH1-O 3.02Å; R31-C55 PolarHBondContact NH2-O 2.97Å; R31-E56 VanDerWaalsContact NH1-C 3.31Å; R31-E56 PolarHBondContact NH1-O 3.05Å; R31-D59 WeakPolarHBondContact CB-OD2 3.42Å; R31-D59 WeakPolarHBondContact CG-OD2 3.4Å; R31-D59 IonicContact CZ-OD1 3.02Å; R31-D59 IonicContact CZ-OD2 3.62Å; R31-D59 VanDerWaalsContact NE-CG 3.33Å; R31-D59 IonicContact NE-OD1 3.96Å; R31-D59 IonicContact NE-OD2 3.72Å; R31-D59 PolarHBondContact NE-OD2 2.78Å; R31-D59 IonicContact NH2-OD1 3.24Å; R31-D59 PolarHBondContact NH2-OD1 3.13Å; R31-D59 IonicContact NH2-OD2 3.9Å; R31-V70 HydrophobicContact CG-CG1 4.05Å
32C97.2Very high95.9Very high67 Ų6757.7 Ų57.745%0.45331%0.306SS..G310 helixtrans-77.1-13.8170.9-64.40000112.8S29 L30S29-C32 VanDerWaalsContact O-CB 3.26Å; S29-C32 WeakPolarHBondContact O-CB 3.16Å; S29-C32 PolarHBondContact O-N 2.96Å; L30-C32 PolarHBondContact O-N 3.32Å
33I98.5Very high96.1Very high7 Ų759.3 Ų59.34%0.03632%0.32CS..SBendtrans-64.2129.6174.9-64.5167.5000109.1L30 R31 E37 F38 I95 Y99 C100L30-I33 HydrophobicContact CB-CD1 4.41Å; L30-I33 HydrophobicContact CD2-CD1 4.01Å; L30-I33 VanDerWaalsContact O-CB 3.3Å; L30-I33 WeakPolarHBondContact O-CB 3.23Å; L30-I33 WeakPolarHBondContact O-CD1 3.29Å; L30-I33 VanDerWaalsContact O-CG1 3.26Å; L30-I33 WeakPolarHBondContact O-CG1 3.36Å; L30-I33 PolarHBondContact O-N 3Å; L30-I33 VanDerWaalsContact O-N 3.12Å; R31-I33 VanDerWaalsContact C-N 3.27Å; I33-E37 HydrophobicContact CG2-CB 3.66Å; I33-E37 HydrophobicContact CG2-CG 4.41Å; I33-F38 HydrophobicContact CB-CE1 4.33Å; I33-F38 HydrophobicContact CB-CE2 3.79Å; I33-F38 HydrophobicContact CB-CZ 3.62Å; I33-F38 HydrophobicContact CD1-CE1 4.15Å; I33-F38 HydrophobicContact CD1-CZ 3.91Å; I33-F38 HydrophobicContact CG1-CZ 4.32Å; I33-F38 HydrophobicContact CG2-CD1 4.42Å; I33-F38 HydrophobicContact CG2-CD2 4.27Å; I33-F38 HydrophobicContact CG2-CE1 4.03Å; I33-F38 HydrophobicContact CG2-CE2 3.88Å; I33-F38 HydrophobicContact CG2-CZ 3.75Å; I33-I95 HydrophobicContact CD1-CD1 4.3Å; I33-I95 HydrophobicContact CD1-CG1 4.06Å; I33-I95 HydrophobicContact CG2-CD1 4.11Å; I33-Y99 HydrophobicContact CG1-CG 4.5Å; I33-C100 VanDerWaalsContact CG1-SG 3.58Å
34P98Very high96.6Very high44 Ų4458.1 Ų58.129%0.28631%0.306SS..  trans-58146.2176.2-24.534.2000112.5E36 E37 F38 Y99P34-E36 VanDerWaalsContact CB-OE2 3.26Å; P34-E36 WeakPolarHBondContact CB-OE2 3.42Å; P34-E36 PolarHBondContact O-N 2.79Å; P34-E37 WeakPolarHBondContact O-CB 3.16Å; P34-E37 PolarHBondContact O-N 2.93Å; P34-E37 VanDerWaalsContact O-N 3.07Å; P34-F38 PolarHBondContact O-N 3.23Å; P34-Y99 VanDerWaalsContact CD-CE1 3.5Å; P34-Y99 HydrophobicContact CG-CD1 4.16Å; P34-Y99 HydrophobicContact CG-CE1 3.67Å
35I97.7Very high97Very high48 Ų4852.7 Ų52.725%0.24629%0.285CS..Hα-helixtrans-62.1-31.4-179-170.4169.1000111.9E37 F38 E39 I49 Y61I35-E37 PolarHBondContact O-N 3.41Å; I35-F38 CarbonylContact O-C 3.56Å; I35-F38 WeakPolarHBondContact O-CA 3.24Å; I35-F38 WeakPolarHBondContact O-CB 3.19Å; I35-F38 PolarHBondContact O-N 3.14Å; I35-E39 WeakPolarHBondContact O-CG 3.12Å; I35-E39 PolarHBondContact O-N 3.39Å; I35-I49 HydrophobicContact CG1-CD1 4.48Å; I35-Y61 HydrophobicContact CD1-CE1 4.08Å; I35-Y61 HydrophobicContact CG1-CE1 4.3Å
36E98.2Very high97.3Very high114 Ų11451.3 Ų51.353%0.53327%0.271SS..Hα-helixtrans-62.4-31.8177.9-59.678.9-175.400111.8P34 E39 R40P34-E36 VanDerWaalsContact CB-OE2 3.26Å; P34-E36 WeakPolarHBondContact CB-OE2 3.42Å; P34-E36 PolarHBondContact O-N 2.79Å; E36-E39 PolarHBondContact O-N 3.01Å; E36-R40 WeakPolarHBondContact O-CB 3.38Å; E36-R40 PolarHBondContact O-N 3.15Å
37E98.5Very high97.4Very high35 Ų3547.4 Ų47.416%0.16425%0.247CC..Hα-helixtrans-71.3-37.3173.7-71-57.7139.100111.3I33 P34 I35 R40 L41 I95 Y99I33-E37 HydrophobicContact CG2-CB 3.66Å; I33-E37 HydrophobicContact CG2-CG 4.41Å; P34-E37 WeakPolarHBondContact O-CB 3.16Å; P34-E37 PolarHBondContact O-N 2.93Å; P34-E37 VanDerWaalsContact O-N 3.07Å; I35-E37 PolarHBondContact O-N 3.41Å; E37-R40 PolarHBondContact O-N 3.18Å; E37-R40 IonicContact OE1-NE 3.51Å; E37-R40 IonicContact OE2-CZ 3.68Å; E37-R40 VanDerWaalsContact OE2-CZ 3.24Å; E37-R40 IonicContact OE2-NE 3.75Å; E37-R40 PolarHBondContact OE2-NE 3.3Å; E37-R40 IonicContact OE2-NH2 2.72Å; E37-R40 PolarHBondContact OE2-NH2 2.79Å; E37-L41 VanDerWaalsContact O-CB 3.28Å; E37-L41 WeakPolarHBondContact O-CB 3.38Å; E37-L41 PolarHBondContact O-N 2.92Å; E37-I95 HydrophobicContact CB-CD1 4.38Å; E37-Y99 HydrophobicContact CG-CE2 3.9Å
38F98.4Very high97.5Very high0 Ų053.1 Ų53.10%027%0.269CS..Hα-helixtrans-70-34.8172.7-68.5-50.3000112.9I33 P34 I35 L41 T42 I49 M68 V70 F75 I95I33-F38 HydrophobicContact CB-CE1 4.33Å; I33-F38 HydrophobicContact CB-CE2 3.79Å; I33-F38 HydrophobicContact CB-CZ 3.62Å; I33-F38 HydrophobicContact CD1-CE1 4.15Å; I33-F38 HydrophobicContact CD1-CZ 3.91Å; I33-F38 HydrophobicContact CG1-CZ 4.32Å; I33-F38 HydrophobicContact CG2-CD1 4.42Å; I33-F38 HydrophobicContact CG2-CD2 4.27Å; I33-F38 HydrophobicContact CG2-CE1 4.03Å; I33-F38 HydrophobicContact CG2-CE2 3.88Å; I33-F38 HydrophobicContact CG2-CZ 3.75Å; P34-F38 PolarHBondContact O-N 3.23Å; I35-F38 CarbonylContact O-C 3.56Å; I35-F38 WeakPolarHBondContact O-CA 3.24Å; I35-F38 WeakPolarHBondContact O-CB 3.19Å; I35-F38 PolarHBondContact O-N 3.14Å; F38-L41 HydrophobicContact CD1-CD2 4.24Å; F38-L41 PolarHBondContact O-N 2.87Å; F38-T42 WeakPolarHBondContact O-CB 3.33Å; F38-T42 WeakPolarHBondContact O-CG2 3.18Å; F38-T42 PolarHBondContact O-N 3.47Å; F38-T42 PolarHBondContact O-OG1 3.44Å; F38-I49 HydrophobicContact CB-CD1 4.1Å; F38-M68 HydrophobicContact CB-CE 4.01Å; F38-M68 HydrophobicContact CD1-CE 4.31Å; F38-M68 HydrophobicContact CD1-SD 4.44Å; F38-M68 HydrophobicContact CG-CE 4.1Å; F38-V70 HydrophobicContact CE1-CG2 4.19Å; F38-V70 HydrophobicContact CE2-CG1 4.44Å; F38-V70 HydrophobicContact CE2-CG2 4.29Å; F38-V70 HydrophobicContact CZ-CB 4.48Å; F38-V70 HydrophobicContact CZ-CG1 3.87Å; F38-V70 HydrophobicContact CZ-CG2 3.91Å; F38-F75 HydrophobicContact CD1-CE2 4.27Å; F38-F75 HydrophobicContact CE1-CD2 4.34Å; F38-F75 HydrophobicContact CE1-CE2 4.01Å; F38-I95 HydrophobicContact CE1-CD1 4.47Å
39E98.5Very high97.5Very high97 Ų9749.8 Ų49.845%0.45326%0.255SS..Hα-helixtrans-62.6-44.5171.3-71.1177.3158.400110.8I35 E36 L41 T42 A43 I49I35-E39 WeakPolarHBondContact O-CG 3.12Å; I35-E39 PolarHBondContact O-N 3.39Å; E36-E39 PolarHBondContact O-N 3.01Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 2.94Å; E39-T42 WeakPolarHBondContact CA-OG1 3.37Å; E39-T42 PolarHBondContact O-OG1 3.25Å; E39-T42 VanDerWaalsContact O-OG1 3.12Å; E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 2.95Å; E39-I49 HydrophobicContact CG-CD1 4Å
40R98.3Very high97.5Very high131 Ų13151.6 Ų51.649%0.49426%0.264SS..Hα-helixtrans-62-42.9174.3-172173.971.4125.8-0.2111.6E36 E37 A43 L44E36-R40 WeakPolarHBondContact O-CB 3.38Å; E36-R40 PolarHBondContact O-N 3.15Å; E37-R40 PolarHBondContact O-N 3.18Å; E37-R40 IonicContact OE1-NE 3.51Å; E37-R40 IonicContact OE2-CZ 3.68Å; E37-R40 VanDerWaalsContact OE2-CZ 3.24Å; E37-R40 IonicContact OE2-NE 3.75Å; E37-R40 PolarHBondContact OE2-NE 3.3Å; E37-R40 IonicContact OE2-NH2 2.72Å; E37-R40 PolarHBondContact OE2-NH2 2.79Å; R40-A43 PolarHBondContact O-N 3.37Å; R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 2.95Å
41L98.1Very high97.5Very high3 Ų353 Ų532%0.01628%0.275CS..Hα-helixtrans-62.5-50.9178.8-173.469.8000111.8E37 F38 E39 A43 L44 F75 T88 P91 L92 I95E37-L41 VanDerWaalsContact O-CB 3.28Å; E37-L41 WeakPolarHBondContact O-CB 3.38Å; E37-L41 PolarHBondContact O-N 2.92Å; F38-L41 HydrophobicContact CD1-CD2 4.24Å; F38-L41 PolarHBondContact O-N 2.87Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 2.94Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 2.88Å; L41-L44 WeakPolarHBondContact O-CB 3.37Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L41-F75 HydrophobicContact CD2-CE2 4.08Å; L41-F75 HydrophobicContact CD2-CZ 3.76Å; L41-T88 HydrophobicContact CD1-CG2 4.41Å; L41-T88 VanDerWaalsContact CD1-O 3.31Å; L41-T88 WeakPolarHBondContact CD1-O 3.36Å; L41-T88 HydrophobicContact CG-CG2 4.38Å; L41-T88 WeakPolarHBondContact O-CG2 3.36Å; L41-P91 HydrophobicContact CD1-CB 3.76Å; L41-L92 HydrophobicContact CD1-CB 4.13Å; L41-L92 HydrophobicContact CD2-CB 4.19Å; L41-L92 HydrophobicContact CD2-CD1 3.98Å; L41-I95 HydrophobicContact CD2-CD1 4.29Å
42T97.6Very high97.5Very high1 Ų155.4 Ų55.41%0.00628%0.284CS..Hα-helixtrans-64.8-36.1179.748.30000111.7F38 E39 L44 A45 N46 C47 I49 L63 M68F38-T42 WeakPolarHBondContact O-CB 3.33Å; F38-T42 WeakPolarHBondContact O-CG2 3.18Å; F38-T42 PolarHBondContact O-N 3.47Å; F38-T42 PolarHBondContact O-OG1 3.44Å; E39-T42 WeakPolarHBondContact CA-OG1 3.37Å; E39-T42 PolarHBondContact O-OG1 3.25Å; E39-T42 VanDerWaalsContact O-OG1 3.12Å; T42-L44 PolarHBondContact O-N 2.98Å; T42-A45 WeakPolarHBondContact O-CA 3.3Å; T42-A45 WeakPolarHBondContact O-CB 3.2Å; T42-A45 PolarHBondContact O-N 3.18Å; T42-N46 PolarHBondContact O-N 3.13Å; T42-C47 CarbonylContact C-O 3.57Å; T42-C47 WeakPolarHBondContact CB-SG 3.48Å; T42-C47 PolarHBondContact O-N 3.43Å; T42-C47 VanDerWaalsContact O-O 3.09Å; T42-C47 PolarHBondContact O-SG 3.44Å; T42-I49 HydrophobicContact CG2-CG1 4.33Å; T42-L63 HydrophobicContact CG2-CD1 4.34Å; T42-L63 HydrophobicContact CG2-CD2 4.04Å; T42-M68 HydrophobicContact CG2-SD 3.98Å
43A97.5Very high97.6Very high56 Ų5653.5 Ų53.546%0.46327%0.27SS..Hα-helixtrans-58.5-32.9173.300000113.1E39 R40 L41 A45 N46 C47E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 2.95Å; R40-A43 PolarHBondContact O-N 3.37Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 2.88Å; A43-A45 VanDerWaalsContact C-N 3.27Å; A43-A45 PolarHBondContact O-N 2.69Å; A43-N46 PolarHBondContact O-N 2.95Å; A43-C47 PolarHBondContact N-O 3.42Å
44L97.1Very high97.5Very high73 Ų7355.8 Ų55.838%0.38229%0.287SS..Hα-helixtrans-66.6-27.5175.4-63.7173.2000113.2R40 L41 T42 N46 P91R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 2.95Å; L41-L44 WeakPolarHBondContact O-CB 3.37Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-L44 VanDerWaalsContact O-N 3.13Å; T42-L44 PolarHBondContact O-N 2.98Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-P91 HydrophobicContact CD1-CB 3.95Å; L44-P91 HydrophobicContact CD1-CG 3.57Å
45A95.7Very high97.4Very high0 Ų054.5 Ų54.50%028%0.279CS..THydrogen-bonded Turntrans-82.8-2.4172.400000113.1T42 A43 T83 S84 T88T42-A45 WeakPolarHBondContact O-CA 3.3Å; T42-A45 WeakPolarHBondContact O-CB 3.2Å; T42-A45 PolarHBondContact O-N 3.18Å; A43-A45 VanDerWaalsContact C-N 3.27Å; A43-A45 PolarHBondContact O-N 2.69Å; A45-T83 VanDerWaalsContact O-CA 3.22Å; A45-T83 WeakPolarHBondContact O-CA 3.32Å; A45-T83 WeakPolarHBondContact O-CB 3.47Å; A45-T83 WeakPolarHBondContact O-CG2 3.42Å; A45-S84 PolarHBondContact O-N 2.88Å; A45-S84 VanDerWaalsContact O-N 3.07Å; A45-T88 HydrophobicContact CB-CG2 3.67Å
46N95.6Very high97.3Very high107 Ų10759.4 Ų59.457%0.57230%0.301SS*.THydrogen-bonded Turntrans63.336.5-167.7-50.1-56.9000113.2T42 A43 L44T42-N46 PolarHBondContact O-N 3.13Å; A43-N46 PolarHBondContact O-N 2.95Å; L44-N46 VanDerWaalsContact C-N 3.27Å
47C94.6Very high97.2Very high2 Ų255.2 Ų55.21%0.01429%0.285CS..  trans-122.2161.3171.261.50000111.3T42 A43 E65T42-C47 CarbonylContact C-O 3.57Å; T42-C47 WeakPolarHBondContact CB-SG 3.48Å; T42-C47 PolarHBondContact O-N 3.43Å; T42-C47 VanDerWaalsContact O-O 3.09Å; T42-C47 PolarHBondContact O-SG 3.44Å; A43-C47 PolarHBondContact N-O 3.42Å; C47-E65 HydrophobicContact CB-CB 4.31Å; C47-E65 HydrophobicContact CB-CG 4.46Å
48Q96.7Very high97.1Very high143 Ų14353.6 Ų53.667%0.66828%0.278SS*.  trans-126.4145.9178.5-65.8178.5-15.900110V50 L63 S64Q48-V50 PolarHBondContact O-N 2.93Å; Q48-L63 CarbonylContact O-C 3.59Å; Q48-L63 VanDerWaalsContact O-CA 3.24Å; Q48-L63 WeakPolarHBondContact O-CA 3.38Å; Q48-S64 PolarHBondContact N-OG 2.87Å; Q48-S64 PolarHBondContact O-N 2.83Å
49I98.1Very high97.1Very high35 Ų3553.7 Ų53.718%0.17928%0.278CS..EExtended strand (participates in β ladder)trans-73.5124.3169.4-63.3175000108.5I35 F38 E39 T42 Y61 L63 M68I35-I49 HydrophobicContact CG1-CD1 4.48Å; F38-I49 HydrophobicContact CB-CD1 4.1Å; E39-I49 HydrophobicContact CG-CD1 4Å; T42-I49 HydrophobicContact CG2-CG1 4.33Å; I49-Y61 HydrophobicContact CD1-CD1 3.92Å; I49-Y61 HydrophobicContact CD1-CE1 4.26Å; I49-Y61 HydrophobicContact CG1-CD1 4.39Å; I49-Y61 HydrophobicContact CG2-CD1 3.76Å; I49-L63 HydrophobicContact CB-CD2 4.42Å; I49-L63 HydrophobicContact CG1-CD2 3.78Å; I49-M68 HydrophobicContact CD1-CE 4.23Å
50V97.5Very high97.2Very high59 Ų5949.1 Ų49.136%0.35826%0.257SS..EExtended strand (participates in β ladder)trans-99.1-43.7-178.81760000111.2Q48 V62 K219 F221Q48-V50 PolarHBondContact O-N 2.93Å; V50-V62 WeakPolarHBondContact CB-O 3.46Å; V50-V62 PolarHBondContact N-O 3.48Å; V50-K219 HydrophobicContact CG1-CD 3.99Å; V50-K219 HydrophobicContact CG1-CG 4.11Å; V50-F221 HydrophobicContact CG2-CE1 4.45Å
51S98Very high97.2Very high32 Ų3243 Ų4322%0.22423%0.234CC..EExtended strand (participates in β ladder)trans-149.1162175.957.30000110.4Y61 V62 D217S51-Y61 VanDerWaalsContact O-CA 3.29Å; S51-Y61 WeakPolarHBondContact O-CA 3.41Å; S51-V62 PolarHBondContact N-O 2.97Å; S51-V62 PolarHBondContact O-N 2.72Å; S51-V62 WeakPolarHBondContact OG-CB 3.23Å; S51-D217 VanDerWaalsContact OG-CG 3.23Å; S51-D217 PolarHBondContact OG-OD1 2.86Å; S51-D217 PolarHBondContact OG-OD2 3.34Å; S51-D217 VanDerWaalsContact OG-OD2 3.13Å
52R98Very high97.2Very high109 Ų10942.8 Ų42.841%0.41123%0.233SC..EExtended strand (participates in β ladder)trans-132.9136.8177.9176.9-171.9174.7164.46.4109S54 D59 A60 Y61R52-S54 PolarHBondContact NE-OG 3.18Å; R52-S54 VanDerWaalsContact NE-OG 3.09Å; R52-D59 IonicContact CZ-OD1 3.62Å; R52-D59 IonicContact NE-OD1 2.81Å; R52-D59 IonicContact NH2-OD1 2.68Å; R52-D59 PolarHBondContact NH2-OD1 3.28Å; R52-D59 IonicContact NH2-OD2 3.55Å; R52-D59 PolarHBondContact NH2-OD2 2.97Å; R52-A60 CarbonylContact C-O 3.53Å; R52-A60 WeakPolarHBondContact CA-O 3.37Å; R52-Y61 HydrophobicContact CB-CD1 3.84Å; R52-Y61 HydrophobicContact CB-CE1 3.96Å; R52-Y61 HydrophobicContact CG-CD1 3.87Å; R52-Y61 HydrophobicContact CG-CE1 3.59Å
53T98Very high97.2Very high28 Ų2842.8 Ų42.817%0.17223%0.233CC..EExtended strand (participates in β ladder)trans-131140.8168.6-68.90000109.7A60 I215 D217 I231T53-A60 PolarHBondContact N-O 3.16Å; T53-A60 PolarHBondContact O-N 2.84Å; T53-I215 HydrophobicContact CG2-CB 4.26Å; T53-I215 HydrophobicContact CG2-CG2 3.5Å; T53-I215 VanDerWaalsContact CG2-CG2 3.5Å; T53-D217 VanDerWaalsContact OG1-CB 3.25Å; T53-D217 WeakPolarHBondContact OG1-CB 3.49Å; T53-D217 VanDerWaalsContact OG1-CG 3.25Å; T53-D217 PolarHBondContact OG1-OD2 3.44Å; T53-I231 HydrophobicContact CG2-CD1 3.86Å; T53-I231 HydrophobicContact CG2-CG1 4.33Å
54S98Very high97.1Very high54 Ų5441.5 Ų41.538%0.37822%0.221SC..EExtended strand (participates in β ladder)trans-130.2145.1-172.7-66.20000111.5R52 D59R52-S54 PolarHBondContact NE-OG 3.18Å; R52-S54 VanDerWaalsContact NE-OG 3.09Å; S54-D59 WeakPolarHBondContact CB-OD1 3.4Å; S54-D59 PolarHBondContact OG-OD1 2.99Å
55C96.2Very high96.9Very high18 Ų1840.4 Ų40.412%0.12221%0.213CC..  trans-129.2-171.2169.772.60000110.8R31 A57 M58 I231 Q232R31-C55 PolarHBondContact NH1-O 3.02Å; R31-C55 PolarHBondContact NH2-O 2.97Å; C55-A57 VanDerWaalsContact C-N 3.29Å; C55-A57 PolarHBondContact O-N 2.85Å; C55-M58 PolarHBondContact N-O 3.11Å; C55-M58 PolarHBondContact SG-N 2.88Å; C55-M58 PolarHBondContact SG-O 3.43Å; C55-I231 HydrophobicContact CB-CD1 3.77Å; C55-I231 HydrophobicContact CB-CG1 4.43Å; C55-Q232 PolarHBondContact SG-O 2.8Å; C55-Q232 VanDerWaalsContact SG-O 3.37Å
56E94.9Very high96.7Very high151 Ų15140.4 Ų40.471%0.70621%0.213SC*.SBendtrans-63.8-33.2-179.3-69.8178.5-179.100112.7R31 R233R31-E56 VanDerWaalsContact NH1-C 3.31Å; R31-E56 PolarHBondContact NH1-O 3.05Å; E56-R233 PolarHBondContact N-O 3.11Å
57A95.6Very high96.8Very high25 Ų2535.3 Ų35.321%0.20719%0.186CC..SBendtrans-110.3-13.2-171.600000114.8C55 S235 D236C55-A57 VanDerWaalsContact C-N 3.29Å; C55-A57 PolarHBondContact O-N 2.85Å; A57-S235 VanDerWaalsContact CB-C 3.42Å; A57-D236 HydrophobicContact CB-CB 4.39Å
58M97.5Very high97Very high1 Ų135.2 Ų35.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-155.9147.1-171179.4167.650.200113C55 F69 V70 I231 D236 Y238C55-M58 PolarHBondContact N-O 3.11Å; C55-M58 PolarHBondContact SG-N 2.88Å; C55-M58 PolarHBondContact SG-O 3.43Å; M58-F69 HydrophobicContact CE-CD1 4.48Å; M58-F69 HydrophobicContact CG-CB 4.5Å; M58-F69 HydrophobicContact SD-CB 3.85Å; M58-F69 HydrophobicContact SD-CD1 3.83Å; M58-F69 HydrophobicContact SD-CG 4.25Å; M58-V70 CarbonylContact C-O 3.56Å; M58-V70 VanDerWaalsContact CA-O 3.3Å; M58-V70 WeakPolarHBondContact CA-O 3.34Å; M58-V70 WeakPolarHBondContact CG-O 3.32Å; M58-I231 HydrophobicContact CE-CB 4.05Å; M58-I231 HydrophobicContact CE-CG2 3.71Å; M58-D236 VanDerWaalsContact CE-O 3.27Å; M58-D236 WeakPolarHBondContact CE-O 3.1Å; M58-Y238 HydrophobicContact CE-CD1 4.19Å; M58-Y238 HydrophobicContact CE-CG 4.48Å; M58-Y238 HydrophobicContact SD-CD1 4.08Å
59D98.5Very high97.1Very high2 Ų228.4 Ų28.41%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-104.3133.5163.1-60-54.2000109.4R31 R52 S54 Y61 F69 V70R31-D59 WeakPolarHBondContact CB-OD2 3.42Å; R31-D59 WeakPolarHBondContact CG-OD2 3.4Å; R31-D59 IonicContact CZ-OD1 3.02Å; R31-D59 IonicContact CZ-OD2 3.62Å; R31-D59 VanDerWaalsContact NE-CG 3.33Å; R31-D59 IonicContact NE-OD1 3.96Å; R31-D59 IonicContact NE-OD2 3.72Å; R31-D59 PolarHBondContact NE-OD2 2.78Å; R31-D59 IonicContact NH2-OD1 3.24Å; R31-D59 PolarHBondContact NH2-OD1 3.13Å; R31-D59 IonicContact NH2-OD2 3.9Å; R52-D59 IonicContact CZ-OD1 3.62Å; R52-D59 IonicContact NE-OD1 2.81Å; R52-D59 IonicContact NH2-OD1 2.68Å; R52-D59 PolarHBondContact NH2-OD1 3.28Å; R52-D59 IonicContact NH2-OD2 3.55Å; R52-D59 PolarHBondContact NH2-OD2 2.97Å; S54-D59 WeakPolarHBondContact CB-OD1 3.4Å; S54-D59 PolarHBondContact OG-OD1 2.99Å; D59-Y61 HydrophobicContact CB-CD2 4.49Å; D59-Y61 HydrophobicContact CB-CE2 3.56Å; D59-F69 CarbonylContact O-C 3.46Å; D59-F69 WeakPolarHBondContact O-CA 3.25Å; D59-V70 PolarHBondContact N-O 2.83Å; D59-V70 PolarHBondContact O-N 3.11Å
60A98.7Very high97.1Very high1 Ų126.8 Ų26.81%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-119.7139.4176.200000109.9R52 T53 F69 N229 I231R52-A60 CarbonylContact C-O 3.53Å; R52-A60 WeakPolarHBondContact CA-O 3.37Å; T53-A60 PolarHBondContact N-O 3.16Å; T53-A60 PolarHBondContact O-N 2.84Å; A60-F69 HydrophobicContact CB-CD1 3.63Å; A60-F69 HydrophobicContact CB-CE1 3.65Å; A60-N229 HydrophobicContact CB-CB 4.21Å; A60-I231 HydrophobicContact CB-CG2 3.59Å
61Y98.6Very high97.2Very high2 Ų224.3 Ų24.31%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-129.6121-175.4-57.4-98.3000108.7I35 I49 S51 R52 D59 S67 M68 V70 N229I35-Y61 HydrophobicContact CD1-CE1 4.08Å; I35-Y61 HydrophobicContact CG1-CE1 4.3Å; I49-Y61 HydrophobicContact CD1-CD1 3.92Å; I49-Y61 HydrophobicContact CD1-CE1 4.26Å; I49-Y61 HydrophobicContact CG1-CD1 4.39Å; I49-Y61 HydrophobicContact CG2-CD1 3.76Å; S51-Y61 VanDerWaalsContact O-CA 3.29Å; S51-Y61 WeakPolarHBondContact O-CA 3.41Å; R52-Y61 HydrophobicContact CB-CD1 3.84Å; R52-Y61 HydrophobicContact CB-CE1 3.96Å; R52-Y61 HydrophobicContact CG-CD1 3.87Å; R52-Y61 HydrophobicContact CG-CE1 3.59Å; D59-Y61 HydrophobicContact CB-CD2 4.49Å; D59-Y61 HydrophobicContact CB-CE2 3.56Å; Y61-S67 CarbonylContact O-C 3.59Å; Y61-S67 WeakPolarHBondContact O-CA 3.44Å; Y61-M68 HydrophobicContact CD1-CE 4.18Å; Y61-M68 HydrophobicContact CD2-CE 3.32Å; Y61-M68 HydrophobicContact CE1-CE 4.48Å; Y61-M68 HydrophobicContact CE2-CE 3.73Å; Y61-M68 HydrophobicContact CG-CE 3.57Å; Y61-M68 PolarHBondContact N-O 3.17Å; Y61-M68 PolarHBondContact O-N 2.91Å; Y61-V70 HydrophobicContact CD2-CG2 4.49Å; Y61-V70 HydrophobicContact CE2-CG2 3.98Å; Y61-N229 PolarHBondContact O-ND2 2.63Å
62V98.5Very high97.1Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-77127.2166.9179.10000106.7V50 S51 D217 K219 F221 N229V50-V62 WeakPolarHBondContact CB-O 3.46Å; V50-V62 PolarHBondContact N-O 3.48Å; S51-V62 PolarHBondContact N-O 2.97Å; S51-V62 PolarHBondContact O-N 2.72Å; S51-V62 WeakPolarHBondContact OG-CB 3.23Å; V62-D217 HydrophobicContact CG2-CB 4.31Å; V62-K219 HydrophobicContact CG1-CB 4.08Å; V62-F221 HydrophobicContact CG1-CZ 4.5Å; V62-N229 HydrophobicContact CG2-CB 4.44Å; V62-N229 PolarHBondContact N-ND2 3.15Å
63L98Very high97Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-100162.9177.1-55.3-176.3000110.5T42 Q48 I49 E65 S66 M68 L77 F221T42-L63 HydrophobicContact CG2-CD1 4.34Å; T42-L63 HydrophobicContact CG2-CD2 4.04Å; Q48-L63 CarbonylContact O-C 3.59Å; Q48-L63 VanDerWaalsContact O-CA 3.24Å; Q48-L63 WeakPolarHBondContact O-CA 3.38Å; I49-L63 HydrophobicContact CB-CD2 4.42Å; I49-L63 HydrophobicContact CG1-CD2 3.78Å; L63-E65 PolarHBondContact O-N 3.37Å; L63-S66 PolarHBondContact N-O 3.49Å; L63-M68 HydrophobicContact CD1-CB 4.07Å; L63-M68 HydrophobicContact CD2-CB 4.33Å; L63-M68 HydrophobicContact CG-CB 4.32Å; L63-L77 HydrophobicContact CD1-CD1 3.46Å; L63-L77 VanDerWaalsContact CD1-CD1 3.46Å; L63-F221 WeakPolarHBondContact O-CZ 3.44Å
64S95.5Very high96.9Very high30 Ų3024.7 Ų24.721%0.2113%0.13CC..THydrogen-bonded Turntrans-57.4-29.3169.359.60000112Q48Q48-S64 PolarHBondContact N-OG 2.87Å; Q48-S64 PolarHBondContact O-N 2.83Å
65E92.2Very high97Very high49 Ų4922.1 Ų22.123%0.22911%0.112CC..THydrogen-bonded Turntrans-129.875.7-177.7-56.2-63.2154.400108.1F9 C47 L63 T79 C80 T83F9-E65 WeakPolarHBondContact CE2-OE2 3.05Å; F9-E65 WeakPolarHBondContact CZ-OE2 3.21Å; C47-E65 HydrophobicContact CB-CB 4.31Å; C47-E65 HydrophobicContact CB-CG 4.46Å; L63-E65 PolarHBondContact O-N 3.37Å; E65-T79 VanDerWaalsContact O-CA 3.3Å; E65-T79 WeakPolarHBondContact O-CA 3.16Å; E65-C80 PolarHBondContact OE2-SG 2.94Å; E65-T83 HydrophobicContact CB-CG2 3.97Å; E65-T83 HydrophobicContact CG-CG2 3.96Å
66S92.2Very high97.1Very high0 Ų021.3 Ų21.30%011%0.107CC..EExtended strand (participates in β ladder)trans85.7-121.8-178.1-172.60000116.1E13 L63 K78 S227E13-S66 WeakPolarHBondContact OE1-CB 3.48Å; E13-S66 PolarHBondContact OE1-OG 3.3Å; L63-S66 PolarHBondContact N-O 3.49Å; S66-K78 WeakPolarHBondContact CB-O 3.5Å; S66-K78 VanDerWaalsContact OG-CB 3.23Å; S66-K78 WeakPolarHBondContact OG-CB 3.46Å; S66-S227 PolarHBondContact O-OG 3.07Å; S66-S227 VanDerWaalsContact O-OG 3.04Å
67S98.3Very high97.3Very high0 Ų014.1 Ų14.10%07%0.073CC..EExtended strand (participates in β ladder)trans-158.2156.7-159.1-68.20000114.7Y61 K78 N229 T240Y61-S67 CarbonylContact O-C 3.59Å; Y61-S67 WeakPolarHBondContact O-CA 3.44Å; S67-K78 PolarHBondContact N-O 2.86Å; S67-K78 PolarHBondContact O-N 3.46Å; S67-K78 VanDerWaalsContact O-O 3.07Å; S67-N229 VanDerWaalsContact CB-OD1 3.26Å; S67-N229 WeakPolarHBondContact CB-OD1 3.31Å; S67-N229 PolarHBondContact OG-ND2 3.46Å; S67-N229 PolarHBondContact OG-OD1 3.18Å; S67-T240 PolarHBondContact OG-OG1 3.18Å
68M98.7Very high97.4Very high0 Ų013 Ų130%06%0.063CC..EExtended strand (participates in β ladder)trans-140.8142.5171.9-179.8-175.874.800110.9F38 T42 I49 Y61 L63 V70 F75 V76 L77F38-M68 HydrophobicContact CB-CE 4.01Å; F38-M68 HydrophobicContact CD1-CE 4.31Å; F38-M68 HydrophobicContact CD1-SD 4.44Å; F38-M68 HydrophobicContact CG-CE 4.1Å; T42-M68 HydrophobicContact CG2-SD 3.98Å; I49-M68 HydrophobicContact CD1-CE 4.23Å; Y61-M68 HydrophobicContact CD1-CE 4.18Å; Y61-M68 HydrophobicContact CD2-CE 3.32Å; Y61-M68 HydrophobicContact CE1-CE 4.48Å; Y61-M68 HydrophobicContact CE2-CE 3.73Å; Y61-M68 HydrophobicContact CG-CE 3.57Å; Y61-M68 PolarHBondContact N-O 3.17Å; Y61-M68 PolarHBondContact O-N 2.91Å; L63-M68 HydrophobicContact CD1-CB 4.07Å; L63-M68 HydrophobicContact CD2-CB 4.33Å; L63-M68 HydrophobicContact CG-CB 4.32Å; M68-V70 HydrophobicContact CE-CG2 4.32Å; M68-V70 HydrophobicContact CG-CG2 4.42Å; M68-F75 HydrophobicContact CG-CE2 3.85Å; M68-F75 HydrophobicContact CG-CZ 3.92Å; M68-F75 HydrophobicContact SD-CE2 3.58Å; M68-F75 VanDerWaalsContact SD-CE2 3.58Å; M68-F75 HydrophobicContact SD-CZ 3.69Å; M68-V76 CarbonylContact C-O 3.59Å; M68-V76 WeakPolarHBondContact CA-O 3.33Å; M68-V76 VanDerWaalsContact CG-O 3.3Å; M68-V76 WeakPolarHBondContact CG-O 3.49Å; M68-L77 HydrophobicContact CB-CD1 4.03Å; M68-L77 HydrophobicContact CG-CD1 4.27Å; M68-L77 HydrophobicContact SD-CD1 4.49Å
69F98.7Very high97.4Very high1 Ų112.9 Ų12.90%0.0046%0.063CC..EExtended strand (participates in β ladder)trans-130.5135.2179.3-57.5-89.2000110.8M58 D59 A60 V76 N229 I231 Y238 T240M58-F69 HydrophobicContact CE-CD1 4.48Å; M58-F69 HydrophobicContact CG-CB 4.5Å; M58-F69 HydrophobicContact SD-CB 3.85Å; M58-F69 HydrophobicContact SD-CD1 3.83Å; M58-F69 HydrophobicContact SD-CG 4.25Å; D59-F69 CarbonylContact O-C 3.46Å; D59-F69 WeakPolarHBondContact O-CA 3.25Å; A60-F69 HydrophobicContact CB-CD1 3.63Å; A60-F69 HydrophobicContact CB-CE1 3.65Å; F69-V76 HydrophobicContact CB-CB 4.1Å; F69-V76 HydrophobicContact CB-CG2 4.46Å; F69-V76 HydrophobicContact CD2-CB 4.22Å; F69-V76 HydrophobicContact CD2-CG1 4.36Å; F69-V76 PolarHBondContact N-O 3.23Å; F69-V76 PolarHBondContact O-N 3.25Å; F69-N229 HydrophobicContact CE1-CB 3.98Å; F69-N229 HydrophobicContact CZ-CB 3.99Å; F69-N229 VanDerWaalsContact CZ-CG 3.49Å; F69-N229 WeakPolarHBondContact CZ-OD1 3.44Å; F69-I231 HydrophobicContact CD1-CG2 4.47Å; F69-I231 HydrophobicContact CE1-CG2 4.2Å; F69-Y238 HydrophobicContact CD1-CD1 4.17Å; F69-Y238 HydrophobicContact CD1-CD2 4.19Å; F69-Y238 AromaticContact CD1-CG 3.86Å; F69-Y238 HydrophobicContact CD1-CG 3.86Å; F69-Y238 HydrophobicContact CD2-CD2 4.07Å; F69-Y238 HydrophobicContact CD2-CE1 4.45Å; F69-Y238 AromaticContact CD2-CE2 3.93Å; F69-Y238 HydrophobicContact CD2-CE2 3.93Å; F69-Y238 HydrophobicContact CD2-CG 4.4Å; F69-Y238 HydrophobicContact CE1-CD1 4.46Å; F69-Y238 AromaticContact CE1-CD2 3.75Å; F69-Y238 HydrophobicContact CE1-CD2 3.75Å; F69-Y238 AromaticContact CE1-CG 3.71Å; F69-Y238 HydrophobicContact CE1-CG 3.71Å; F69-Y238 AromaticContact CE2-CD2 3.62Å; F69-Y238 HydrophobicContact CE2-CD2 3.62Å; F69-Y238 AromaticContact CE2-CE2 3.66Å; F69-Y238 HydrophobicContact CE2-CE2 3.66Å; F69-Y238 HydrophobicContact CE2-CG 4.27Å; F69-Y238 HydrophobicContact CG-CD1 4.24Å; F69-Y238 HydrophobicContact CG-CD2 4.34Å; F69-Y238 HydrophobicContact CG-CE1 4.39Å; F69-Y238 HydrophobicContact CG-CE2 4.49Å; F69-Y238 HydrophobicContact CG-CG 4.22Å; F69-Y238 AromaticContact CZ-CD2 3.45Å; F69-Y238 HydrophobicContact CZ-CD2 3.45Å; F69-Y238 VanDerWaalsContact CZ-CD2 3.45Å; F69-Y238 HydrophobicContact CZ-CE2 4Å; F69-Y238 AromaticContact CZ-CG 3.93Å; F69-Y238 HydrophobicContact CZ-CG 3.93Å; F69-T240 HydrophobicContact CE2-CG2 4.2Å; F69-T240 HydrophobicContact CZ-CG2 4.44Å
70V98.7Very high97.3Very high0 Ų012.8 Ų12.80%06%0.063CC..EExtended strand (participates in β ladder)trans-131.6115.2-178.2-171.40000109.1L30 R31 F38 M58 D59 Y61 M68 F75L30-V70 HydrophobicContact CB-CG1 3.66Å; R31-V70 HydrophobicContact CG-CG1 4.05Å; F38-V70 HydrophobicContact CE1-CG2 4.19Å; F38-V70 HydrophobicContact CE2-CG1 4.44Å; F38-V70 HydrophobicContact CE2-CG2 4.29Å; F38-V70 HydrophobicContact CZ-CB 4.48Å; F38-V70 HydrophobicContact CZ-CG1 3.87Å; F38-V70 HydrophobicContact CZ-CG2 3.91Å; M58-V70 CarbonylContact C-O 3.56Å; M58-V70 VanDerWaalsContact CA-O 3.3Å; M58-V70 WeakPolarHBondContact CA-O 3.34Å; M58-V70 WeakPolarHBondContact CG-O 3.32Å; D59-V70 PolarHBondContact N-O 2.83Å; D59-V70 PolarHBondContact O-N 3.11Å; Y61-V70 HydrophobicContact CD2-CG2 4.49Å; Y61-V70 HydrophobicContact CE2-CG2 3.98Å; M68-V70 HydrophobicContact CE-CG2 4.32Å; M68-V70 HydrophobicContact CG-CG2 4.42Å; V70-F75 HydrophobicContact CG2-CD2 3.96Å; V70-F75 HydrophobicContact CG2-CE2 4.16Å
71S97.6Very high97.1Very high7 Ų713 Ų135%0.0497%0.065CC..EExtended strand (participates in β ladder)trans-114.6-172.5172.165.70000109.5L30 R73 R74L30-S71 WeakPolarHBondContact CB-O 3.4Å; S71-R73 VanDerWaalsContact C-N 3.3Å; S71-R73 PolarHBondContact O-N 3.14Å; S71-R74 PolarHBondContact N-O 2.79Å; S71-R74 WeakPolarHBondContact OG-CA 3.47Å; S71-R74 WeakPolarHBondContact OG-CB 3.24Å; S71-R74 PolarHBondContact OG-N 2.84Å; S71-R74 VanDerWaalsContact OG-N 3.17Å; S71-R74 PolarHBondContact OG-O 3.36Å
72D96.3Very high96.9Very high81 Ų8116.6 Ų16.643%0.4339%0.09SC..SBendtrans-59.7-38.1-175-67.8-19000114.4S29 L30S29-D72 VanDerWaalsContact CB-OD1 3.24Å; S29-D72 WeakPolarHBondContact CB-OD1 3.32Å; S29-D72 WeakPolarHBondContact OG-CA 3.35Å; S29-D72 PolarHBondContact OG-OD1 3.42Å; L30-D72 PolarHBondContact N-O 3.37Å; L30-D72 VanDerWaalsContact N-O 3.09Å
73R96.1Very high96.8Very high75 Ų7516.8 Ų16.828%0.2839%0.091SC..SBendtrans-133.1-4.2-173.8-61.3-65176.8-100.99113.7W19 F20 A27 E28 S71W19-R73 WeakPolarHBondContact CA-O 3.3Å; F20-R73 PolarHBondContact N-O 2.93Å; A27-R73 PolarHBondContact O-NH2 2.97Å; A27-R73 VanDerWaalsContact O-NH2 3.07Å; E28-R73 VanDerWaalsContact C-NH1 3.31Å; E28-R73 PolarHBondContact O-NH1 3.03Å; S71-R73 VanDerWaalsContact C-N 3.3Å; S71-R73 PolarHBondContact O-N 3.14Å
74R97.4Very high96.6Very high22 Ų2217 Ų178%0.0839%0.093CC..EExtended strand (participates in β ladder)trans-119.3128.4178173.2-178.665.4-157.7-3.7110.5E17 V18 S71 V76 D236 N257E17-R74 HydrophobicContact CG-CG 4.15Å; E17-R74 WeakPolarHBondContact OE1-CD 3.35Å; V18-R74 WeakPolarHBondContact O-CA 3.24Å; S71-R74 PolarHBondContact N-O 2.79Å; S71-R74 WeakPolarHBondContact OG-CA 3.47Å; S71-R74 WeakPolarHBondContact OG-CB 3.24Å; S71-R74 PolarHBondContact OG-N 2.84Å; S71-R74 VanDerWaalsContact OG-N 3.17Å; S71-R74 PolarHBondContact OG-O 3.36Å; R74-V76 HydrophobicContact CG-CG2 3.94Å; R74-D236 IonicContact CZ-OD2 3.79Å; R74-D236 IonicContact NH1-OD2 3.26Å; R74-D236 VanDerWaalsContact NH2-CG 3.31Å; R74-D236 PolarHBondContact NH2-O 3.41Å; R74-D236 IonicContact NH2-OD2 3.77Å; R74-D236 PolarHBondContact NH2-OD2 3.48Å; R74-N257 PolarHBondContact NH1-ND2 2.84Å; R74-N257 PolarHBondContact NH2-ND2 3.45Å
75F98.6Very high96.8Very high0 Ų015.6 Ų15.60%08%0.083CC..EExtended strand (participates in β ladder)trans-110.5132.8169.2178.4-91.4000109.1E17 V18 F20 L30 F38 L41 M68 V70 L77 L92E17-F75 CarbonylContact C-O 3.59Å; E17-F75 VanDerWaalsContact CA-O 3.28Å; E17-F75 WeakPolarHBondContact CA-O 3.38Å; V18-F75 PolarHBondContact N-O 3.17Å; V18-F75 PolarHBondContact O-N 3.2Å; F20-F75 HydrophobicContact CE2-CB 4.21Å; L30-F75 HydrophobicContact CD1-CB 4.19Å; F38-F75 HydrophobicContact CD1-CE2 4.27Å; F38-F75 HydrophobicContact CE1-CD2 4.34Å; F38-F75 HydrophobicContact CE1-CE2 4.01Å; L41-F75 HydrophobicContact CD2-CE2 4.08Å; L41-F75 HydrophobicContact CD2-CZ 3.76Å; M68-F75 HydrophobicContact CG-CE2 3.85Å; M68-F75 HydrophobicContact CG-CZ 3.92Å; M68-F75 HydrophobicContact SD-CE2 3.58Å; M68-F75 VanDerWaalsContact SD-CE2 3.58Å; M68-F75 HydrophobicContact SD-CZ 3.69Å; V70-F75 HydrophobicContact CG2-CD2 3.96Å; V70-F75 HydrophobicContact CG2-CE2 4.16Å; F75-L77 HydrophobicContact CD1-CB 4.41Å; F75-L77 HydrophobicContact CE1-CB 3.46Å; F75-L77 VanDerWaalsContact CE1-CB 3.46Å; F75-L77 HydrophobicContact CE1-CD2 4.42Å; F75-L77 HydrophobicContact CZ-CB 3.87Å; F75-L92 HydrophobicContact CB-CD1 4.43Å; F75-L92 HydrophobicContact CB-CD2 4.28Å; F75-L92 HydrophobicContact CD1-CD1 4.07Å; F75-L92 HydrophobicContact CD1-CD2 3.33Å; F75-L92 HydrophobicContact CD1-CG 4.34Å; F75-L92 HydrophobicContact CD2-CD1 3.71Å; F75-L92 HydrophobicContact CD2-CD2 4.49Å; F75-L92 HydrophobicContact CE1-CD1 4.2Å; F75-L92 HydrophobicContact CE1-CD2 3.65Å; F75-L92 HydrophobicContact CE2-CD1 3.88Å; F75-L92 HydrophobicContact CG-CD1 3.81Å; F75-L92 HydrophobicContact CG-CD2 3.8Å; F75-L92 HydrophobicContact CG-CG 4.46Å; F75-L92 HydrophobicContact CZ-CD1 4.12Å; F75-L92 HydrophobicContact CZ-CD2 4.38Å
76V98.7Very high97Very high1 Ų113.4 Ų13.41%0.0067%0.073CC..EExtended strand (participates in β ladder)trans-126.9129.1173.7-173.20000108.6L15 L16 E17 M68 F69 R74 K78L15-V76 HydrophobicContact CD1-CG1 3.45Å; L15-V76 VanDerWaalsContact CD1-CG1 3.45Å; L16-V76 CarbonylContact O-C 3.13Å; L16-V76 WeakPolarHBondContact O-CA 3.37Å; E17-V76 HydrophobicContact CB-CG2 4.31Å; E17-V76 HydrophobicContact CG-CG2 4.01Å; M68-V76 CarbonylContact C-O 3.59Å; M68-V76 WeakPolarHBondContact CA-O 3.33Å; M68-V76 VanDerWaalsContact CG-O 3.3Å; M68-V76 WeakPolarHBondContact CG-O 3.49Å; F69-V76 HydrophobicContact CB-CB 4.1Å; F69-V76 HydrophobicContact CB-CG2 4.46Å; F69-V76 HydrophobicContact CD2-CB 4.22Å; F69-V76 HydrophobicContact CD2-CG1 4.36Å; F69-V76 PolarHBondContact N-O 3.23Å; F69-V76 PolarHBondContact O-N 3.25Å; R74-V76 HydrophobicContact CG-CG2 3.94Å; V76-K78 HydrophobicContact CG1-CG 4.32Å
77L98.7Very high97.3Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-128.7122.5172.8174.563.2000109L16 L63 M68 F75 T79 L85 T88L16-L77 PolarHBondContact N-O 3.4Å; L16-L77 PolarHBondContact O-N 2.71Å; L63-L77 HydrophobicContact CD1-CD1 3.46Å; L63-L77 VanDerWaalsContact CD1-CD1 3.46Å; M68-L77 HydrophobicContact CB-CD1 4.03Å; M68-L77 HydrophobicContact CG-CD1 4.27Å; M68-L77 HydrophobicContact SD-CD1 4.49Å; F75-L77 HydrophobicContact CD1-CB 4.41Å; F75-L77 HydrophobicContact CE1-CB 3.46Å; F75-L77 VanDerWaalsContact CE1-CB 3.46Å; F75-L77 HydrophobicContact CE1-CD2 4.42Å; F75-L77 HydrophobicContact CZ-CB 3.87Å; L77-T79 HydrophobicContact CD1-CG2 4Å; L77-T79 HydrophobicContact CG-CG2 4.12Å; L77-L85 HydrophobicContact CD2-CD1 4.46Å; L77-L85 HydrophobicContact CD2-CG 4.27Å; L77-L85 HydrophobicContact CG-CD1 4.2Å; L77-T88 HydrophobicContact CD2-CG2 3.92Å
78K98.3Very high97.3Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-113.1134.3173.7-61.6-169.369164.90108.9E13 K14 L15 S66 S67 V76 E175 T240 E255E13-K78 WeakPolarHBondContact OE2-CE 3.35Å; E13-K78 IonicContact OE2-NZ 3.23Å; E13-K78 PolarHBondContact OE2-NZ 2.87Å; K14-K78 VanDerWaalsContact O-CA 3.31Å; K14-K78 WeakPolarHBondContact O-CA 3.24Å; L15-K78 HydrophobicContact CD1-CD 3.88Å; L15-K78 HydrophobicContact CD1-CG 3.51Å; S66-K78 WeakPolarHBondContact CB-O 3.5Å; S66-K78 VanDerWaalsContact OG-CB 3.23Å; S66-K78 WeakPolarHBondContact OG-CB 3.46Å; S67-K78 PolarHBondContact N-O 2.86Å; S67-K78 PolarHBondContact O-N 3.46Å; S67-K78 VanDerWaalsContact O-O 3.07Å; V76-K78 HydrophobicContact CG1-CG 4.32Å; K78-E175 IonicContact NZ-OE1 2.6Å; K78-T240 HydrophobicContact CD-CG2 4Å; K78-E255 WeakPolarHBondContact CE-OE2 3.19Å; K78-E255 IonicContact NZ-OE1 2.71Å; K78-E255 IonicContact NZ-OE2 3.43Å; K78-E255 PolarHBondContact NZ-OE2 2.85Å
79T97.4Very high97.3Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-141.3149.7175.1660000112.2E13 K14 E65 L77 T83 L85E13-T79 CarbonylContact C-O 3.42Å; E13-T79 VanDerWaalsContact CA-O 3.32Å; E13-T79 WeakPolarHBondContact CA-O 3.41Å; K14-T79 PolarHBondContact N-O 3.32Å; K14-T79 PolarHBondContact O-N 3Å; E65-T79 VanDerWaalsContact O-CA 3.3Å; E65-T79 WeakPolarHBondContact O-CA 3.16Å; L77-T79 HydrophobicContact CD1-CG2 4Å; L77-T79 HydrophobicContact CG-CG2 4.12Å; T79-T83 WeakPolarHBondContact CB-OG1 3.41Å; T79-T83 HydrophobicContact CG2-CG2 4.4Å; T79-T83 PolarHBondContact OG1-OG1 2.85Å; T79-L85 HydrophobicContact CG2-CD1 4.22Å; T79-L85 WeakPolarHBondContact OG1-CD1 3.45Å
80C96.2Very high97.2Very high0 Ų026.4 Ų26.40%013%0.127CC..  trans-122.2-172.2176.251.80000110.8F9 E13 E65 T83 H242F9-C80 HydrophobicContact CE1-CB 4.31Å; F9-C80 HydrophobicContact CZ-CB 4.24Å; E13-C80 HydrophobicContact CG-CB 4.15Å; E65-C80 PolarHBondContact OE2-SG 2.94Å; C80-T83 WeakPolarHBondContact O-CG2 3.36Å; C80-T83 PolarHBondContact O-OG1 2.86Å; C80-T83 VanDerWaalsContact O-OG1 3.07Å; C80-H242 PolarHBondContact SG-NE2 2.99Å
81G94.5Very high97.2Very high5 Ų527.9 Ų27.95%0.05214%0.137CC..THydrogen-bonded Turntrans66.8-138.6179.800000112.4E10 K14 Q121E10-G81 WeakPolarHBondContact O-CA 3.46Å; E10-G81 PolarHBondContact O-N 2.88Å; K14-G81 PolarHBondContact NZ-O 2.78Å; G81-Q121 PolarHBondContact O-NE2 3.46Å; G81-Q121 PolarHBondContact O-OE1 2.85Å; G81-Q121 VanDerWaalsContact O-OE1 3.05Å
82S94.6Very high97.3Very high77 Ų7727.5 Ų27.554%0.53813%0.134SC..THydrogen-bonded Turntrans-103.627.9-17962.30000113.1P122S82-P122 WeakPolarHBondContact O-CG 3.38Å
83T95.7Very high97.4Very high4 Ų425.8 Ų25.83%0.02513%0.125CC..  trans-62.3154.8177.355.90000112.1A45 E65 T79 C80 H125A45-T83 VanDerWaalsContact O-CA 3.22Å; A45-T83 WeakPolarHBondContact O-CA 3.32Å; A45-T83 WeakPolarHBondContact O-CB 3.47Å; A45-T83 WeakPolarHBondContact O-CG2 3.42Å; E65-T83 HydrophobicContact CB-CG2 3.97Å; E65-T83 HydrophobicContact CG-CG2 3.96Å; T79-T83 WeakPolarHBondContact CB-OG1 3.41Å; T79-T83 HydrophobicContact CG2-CG2 4.4Å; T79-T83 PolarHBondContact OG1-OG1 2.85Å; C80-T83 WeakPolarHBondContact O-CG2 3.36Å; C80-T83 PolarHBondContact O-OG1 2.86Å; C80-T83 VanDerWaalsContact O-OG1 3.07Å; T83-H125 PolarHBondContact O-CD2 3.18Å; T83-H125 VanDerWaalsContact O-CD2 3.26Å
84S95.4Very high97.5Very high5 Ų527.7 Ų27.74%0.03514%0.137CC..  trans-109.258.7-179.5-63.70000111.2A45 L86 R87A45-S84 PolarHBondContact O-N 2.88Å; A45-S84 VanDerWaalsContact O-N 3.07Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.42Å; S84-R87 VanDerWaalsContact O-CB 3.29Å; S84-R87 WeakPolarHBondContact O-CB 3.45Å; S84-R87 WeakPolarHBondContact O-CG 3.3Å; S84-R87 PolarHBondContact O-N 3.05Å
85L97.8Very high97.5Very high0 Ų026.7 Ų26.70%013%0.133CC..G310 helixtrans-52.9-41.6-168.6179153.1000113.5K14 L16 L77 T79 R87 T88 Y110 H125K14-L85 HydrophobicContact CB-CD1 3.97Å; K14-L85 HydrophobicContact CD-CB 4.43Å; K14-L85 WeakPolarHBondContact O-CD1 3.17Å; L16-L85 HydrophobicContact CB-CD1 4.11Å; L16-L85 HydrophobicContact CB-CD2 3.46Å; L16-L85 VanDerWaalsContact CB-CD2 3.46Å; L16-L85 HydrophobicContact CB-CG 4.23Å; L16-L85 HydrophobicContact CD2-CD2 4.08Å; L16-L85 HydrophobicContact CG-CD2 4.29Å; L77-L85 HydrophobicContact CD2-CD1 4.46Å; L77-L85 HydrophobicContact CD2-CG 4.27Å; L77-L85 HydrophobicContact CG-CD1 4.2Å; T79-L85 HydrophobicContact CG2-CD1 4.22Å; T79-L85 WeakPolarHBondContact OG1-CD1 3.45Å; L85-R87 PolarHBondContact O-N 3.15Å; L85-T88 PolarHBondContact O-N 2.85Å; L85-T88 PolarHBondContact O-OG1 2.85Å; L85-Y110 HydrophobicContact CD2-CD2 4Å; L85-Y110 HydrophobicContact CD2-CE2 3.8Å; L85-H125 PolarHBondContact N-NE2 3.36Å; L85-H125 VanDerWaalsContact N-NE2 3.2Å
86L98Very high97.5Very high3 Ų326.7 Ų26.72%0.01613%0.133CC..G310 helixtrans-67.3-12.8-176.3-53.6171.1000113.2S84 T88 I89 Y110 M124 E131 L135S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.42Å; L86-T88 PolarHBondContact O-N 3.47Å; L86-I89 HydrophobicContact CB-CD1 4.15Å; L86-I89 HydrophobicContact CD2-CD1 3.58Å; L86-I89 HydrophobicContact CG-CD1 4.49Å; L86-I89 PolarHBondContact O-N 2.94Å; L86-Y110 HydrophobicContact CD2-CD1 4.34Å; L86-Y110 HydrophobicContact CD2-CD2 3.7Å; L86-Y110 HydrophobicContact CD2-CE1 4.31Å; L86-Y110 HydrophobicContact CD2-CE2 3.68Å; L86-Y110 HydrophobicContact CD2-CG 4.04Å; L86-Y110 HydrophobicContact CG-CE2 4.38Å; L86-M124 HydrophobicContact CB-CE 3.5Å; L86-M124 VanDerWaalsContact CB-CE 3.5Å; L86-M124 HydrophobicContact CD1-CE 4.33Å; L86-M124 HydrophobicContact CG-CE 4.22Å; L86-E131 HydrophobicContact CD1-CB 3.88Å; L86-E131 HydrophobicContact CD1-CG 3.96Å; L86-L135 HydrophobicContact CD2-CD1 4.2Å; L86-L135 HydrophobicContact CD2-CD2 3.92Å; L86-L135 HydrophobicContact CD2-CG 4.16Å
87R97.5Very high97.5Very high144 Ų14427.9 Ų27.954%0.54315%0.146SC..G310 helixtrans-68-17.2173.1-64.4-174.5179.2-163-4.3113S84 L85 P91 M124S84-R87 VanDerWaalsContact O-CB 3.29Å; S84-R87 WeakPolarHBondContact O-CB 3.45Å; S84-R87 WeakPolarHBondContact O-CG 3.3Å; S84-R87 PolarHBondContact O-N 3.05Å; L85-R87 PolarHBondContact O-N 3.15Å; R87-P91 WeakPolarHBondContact O-CD 3.32Å; R87-M124 HydrophobicContact CG-CE 3.99Å; R87-M124 HydrophobicContact CG-SD 4.05Å
88T98.3Very high97.4Very high0 Ų033.6 Ų33.60%017%0.172CC..G310 helixtrans-83.5-13.5-179.969.80000112.6L41 A45 L77 L85 L86 L92L41-T88 HydrophobicContact CD1-CG2 4.41Å; L41-T88 VanDerWaalsContact CD1-O 3.31Å; L41-T88 WeakPolarHBondContact CD1-O 3.36Å; L41-T88 HydrophobicContact CG-CG2 4.38Å; L41-T88 WeakPolarHBondContact O-CG2 3.36Å; A45-T88 HydrophobicContact CB-CG2 3.67Å; L77-T88 HydrophobicContact CD2-CG2 3.92Å; L85-T88 PolarHBondContact O-N 2.85Å; L85-T88 PolarHBondContact O-OG1 2.85Å; L86-T88 PolarHBondContact O-N 3.47Å; T88-L92 WeakPolarHBondContact O-CB 3.19Å; T88-L92 PolarHBondContact O-N 3.33Å
89I98.4Very high97.3Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-65.2-60.7-169.7-64.7175.8000111.6L16 L86 L92 L93 L135 I138 F139L16-I89 HydrophobicContact CD1-CD1 4.04Å; L16-I89 HydrophobicContact CD1-CG1 4.17Å; L16-I89 HydrophobicContact CD2-CD1 4.32Å; L16-I89 HydrophobicContact CD2-CG1 3.63Å; L86-I89 HydrophobicContact CB-CD1 4.15Å; L86-I89 HydrophobicContact CD2-CD1 3.58Å; L86-I89 HydrophobicContact CG-CD1 4.49Å; L86-I89 PolarHBondContact O-N 2.94Å; I89-L92 WeakPolarHBondContact O-CB 3.02Å; I89-L92 PolarHBondContact O-N 3.02Å; I89-L92 VanDerWaalsContact O-N 3.1Å; I89-L93 HydrophobicContact CG2-CD1 4.28Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 2.84Å; I89-L135 HydrophobicContact CD1-CD2 3.33Å; I89-I138 HydrophobicContact CB-CD1 4.24Å; I89-I138 HydrophobicContact CG2-CD1 3.95Å; I89-I138 HydrophobicContact CG2-CG2 4.11Å; I89-F139 HydrophobicContact CG2-CE2 3.82Å; I89-F139 HydrophobicContact CG2-CZ 3.51Å
90E98.3Very high97.4Very high131 Ų13137.3 Ų37.361%0.61219%0.187SC*.Hα-helixtrans-60.4-43.8-178.1-59.9172.5103.100112.6L92 L93 Q94 I138E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.43Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-Q94 PolarHBondContact O-N 3.39Å; E90-I138 HydrophobicContact CG-CD1 3.97Å; E90-I138 HydrophobicContact CG-CG1 4.16Å
91P98.4Very high97.4Very high30 Ų3039.4 Ų39.420%0.19520%0.198CC..Hα-helixtrans-59.7-38.5173-25.135000113.6L41 L44 R87 Q94 I95L41-P91 HydrophobicContact CD1-CB 3.76Å; L44-P91 HydrophobicContact CD1-CB 3.95Å; L44-P91 HydrophobicContact CD1-CG 3.57Å; R87-P91 WeakPolarHBondContact O-CD 3.32Å; P91-Q94 PolarHBondContact O-N 3.44Å; P91-I95 WeakPolarHBondContact O-CG1 3.39Å; P91-I95 PolarHBondContact O-N 2.93Å
92L98.7Very high97.5Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-61.9-46.8174.6172.769.2000111V18 F20 L41 F75 T88 I89 E90 Q94 I95 A96V18-L92 HydrophobicContact CB-CD2 4.25Å; V18-L92 HydrophobicContact CG2-CD2 3.97Å; F20-L92 HydrophobicContact CE2-CD2 4.38Å; F20-L92 HydrophobicContact CE2-CG 4.48Å; F20-L92 HydrophobicContact CZ-CD2 4.17Å; F20-L92 HydrophobicContact CZ-CG 4Å; L41-L92 HydrophobicContact CD1-CB 4.13Å; L41-L92 HydrophobicContact CD2-CB 4.19Å; L41-L92 HydrophobicContact CD2-CD1 3.98Å; F75-L92 HydrophobicContact CB-CD1 4.43Å; F75-L92 HydrophobicContact CB-CD2 4.28Å; F75-L92 HydrophobicContact CD1-CD1 4.07Å; F75-L92 HydrophobicContact CD1-CD2 3.33Å; F75-L92 HydrophobicContact CD1-CG 4.34Å; F75-L92 HydrophobicContact CD2-CD1 3.71Å; F75-L92 HydrophobicContact CD2-CD2 4.49Å; F75-L92 HydrophobicContact CE1-CD1 4.2Å; F75-L92 HydrophobicContact CE1-CD2 3.65Å; F75-L92 HydrophobicContact CE2-CD1 3.88Å; F75-L92 HydrophobicContact CG-CD1 3.81Å; F75-L92 HydrophobicContact CG-CD2 3.8Å; F75-L92 HydrophobicContact CG-CG 4.46Å; F75-L92 HydrophobicContact CZ-CD1 4.12Å; F75-L92 HydrophobicContact CZ-CD2 4.38Å; T88-L92 WeakPolarHBondContact O-CB 3.19Å; T88-L92 PolarHBondContact O-N 3.33Å; I89-L92 WeakPolarHBondContact O-CB 3.02Å; I89-L92 PolarHBondContact O-N 3.02Å; I89-L92 VanDerWaalsContact O-N 3.1Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.43Å; L92-Q94 VanDerWaalsContact C-N 3.27Å; L92-Q94 PolarHBondContact O-N 2.99Å; L92-I95 WeakPolarHBondContact O-CG1 3.23Å; L92-I95 PolarHBondContact O-N 2.86Å; L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 3.31Å
93L98.6Very high97.5Very high44 Ų4439.1 Ų39.123%0.2319%0.189CC..Hα-helixtrans-60.3-40.6177.5-61.8-177000111V18 F20 I89 E90 G97 V105 I138 F139V18-L93 HydrophobicContact CG1-CD2 4.4Å; F20-L93 HydrophobicContact CE1-CD2 3.62Å; F20-L93 HydrophobicContact CZ-CD2 3.87Å; I89-L93 HydrophobicContact CG2-CD1 4.28Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 2.84Å; E90-L93 PolarHBondContact O-N 3.45Å; L93-G97 PolarHBondContact O-N 3.39Å; L93-V105 HydrophobicContact CD2-CG2 3.48Å; L93-V105 VanDerWaalsContact CD2-CG2 3.48Å; L93-I138 HydrophobicContact CD1-CG2 3.82Å; L93-F139 HydrophobicContact CD1-CE1 3.96Å; L93-F139 HydrophobicContact CD1-CZ 4.23Å
94Q98.3Very high97.5Very high115 Ų11543.4 Ų43.454%0.53721%0.209SC..Hα-helixtrans-61.8-53.5177.1-177.3-176.2-20.600111.8E90 P91 L92 A96 G97 E98E90-Q94 PolarHBondContact O-N 3.39Å; P91-Q94 PolarHBondContact O-N 3.44Å; L92-Q94 VanDerWaalsContact C-N 3.27Å; L92-Q94 PolarHBondContact O-N 2.99Å; Q94-A96 VanDerWaalsContact C-N 3.32Å; Q94-A96 PolarHBondContact O-N 2.71Å; Q94-G97 PolarHBondContact O-N 3.04Å; Q94-E98 WeakPolarHBondContact O-CB 3.38Å; Q94-E98 PolarHBondContact O-N 3.1Å
95I98.4Very high97.6Very high2 Ų244.3 Ų44.31%0.0121%0.214CC..Hα-helixtrans-67.8-32.4-177.164.7-178.6000111.9I33 E37 F38 L41 P91 L92 E98 Y99I33-I95 HydrophobicContact CD1-CD1 4.3Å; I33-I95 HydrophobicContact CD1-CG1 4.06Å; I33-I95 HydrophobicContact CG2-CD1 4.11Å; E37-I95 HydrophobicContact CB-CD1 4.38Å; F38-I95 HydrophobicContact CE1-CD1 4.47Å; L41-I95 HydrophobicContact CD2-CD1 4.29Å; P91-I95 WeakPolarHBondContact O-CG1 3.39Å; P91-I95 PolarHBondContact O-N 2.93Å; L92-I95 WeakPolarHBondContact O-CG1 3.23Å; L92-I95 PolarHBondContact O-N 2.86Å; I95-E98 PolarHBondContact O-N 3.37Å; I95-Y99 HydrophobicContact CB-CD2 4.1Å; I95-Y99 HydrophobicContact CB-CE2 4.45Å; I95-Y99 HydrophobicContact CG2-CE2 4.45Å; I95-Y99 WeakPolarHBondContact O-CB 3.03Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å; I95-Y99 PolarHBondContact O-N 3.3Å
96A98.4Very high97.5Very high0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-64.2-41.5172.800000111.8F20 L30 L92 Q94 C100 N101 L102F20-A96 HydrophobicContact CD1-CB 3.95Å; F20-A96 HydrophobicContact CE1-CB 3.5Å; F20-A96 HydrophobicContact CZ-CB 3.83Å; L30-A96 HydrophobicContact CD2-CB 3.71Å; L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 3.31Å; Q94-A96 VanDerWaalsContact C-N 3.32Å; Q94-A96 PolarHBondContact O-N 2.71Å; A96-C100 CarbonylContact O-C 3.51Å; A96-C100 WeakPolarHBondContact O-CA 3.44Å; A96-C100 VanDerWaalsContact O-CB 3.23Å; A96-C100 WeakPolarHBondContact O-CB 3.46Å; A96-C100 PolarHBondContact O-N 2.93Å; A96-C100 VanDerWaalsContact O-N 3.11Å; A96-N101 PolarHBondContact O-N 2.87Å; A96-L102 HydrophobicContact CB-CB 4.27Å; A96-L102 PolarHBondContact O-N 2.8Å; A96-L102 VanDerWaalsContact O-N 3.14Å
97G97.2Very high97.4Very high26 Ų2644.6 Ų44.627%0.26822%0.216SC..Hα-helixtrans-67.1-45174.700000112.9L93 Q94 N101 L102L93-G97 PolarHBondContact O-N 3.39Å; Q94-G97 PolarHBondContact O-N 3.04Å; G97-N101 WeakPolarHBondContact O-CA 3.4Å; G97-N101 PolarHBondContact O-N 3.29Å; G97-L102 WeakPolarHBondContact CA-O 3.45Å; G97-L102 PolarHBondContact N-O 3.32Å
98E96.5Very high97.4Very high120 Ų12037.7 Ų37.756%0.56119%0.191SC*.Hα-helixtrans-70.6-49.1-174.5-177.6171.7-175.500113Q94 I95Q94-E98 WeakPolarHBondContact O-CB 3.38Å; Q94-E98 PolarHBondContact O-N 3.1Å; I95-E98 PolarHBondContact O-N 3.37Å
99Y97.7Very high97.3Very high77 Ų7738.3 Ų38.330%0.30219%0.193SC..Hα-helixtrans-89.6-29.5-175.4-71.7-89.7000113.1I33 P34 E37 I95I33-Y99 HydrophobicContact CG1-CG 4.5Å; P34-Y99 VanDerWaalsContact CD-CE1 3.5Å; P34-Y99 HydrophobicContact CG-CD1 4.16Å; P34-Y99 HydrophobicContact CG-CE1 3.67Å; E37-Y99 HydrophobicContact CG-CE2 3.9Å; I95-Y99 HydrophobicContact CB-CD2 4.1Å; I95-Y99 HydrophobicContact CB-CE2 4.45Å; I95-Y99 HydrophobicContact CG2-CE2 4.45Å; I95-Y99 WeakPolarHBondContact O-CB 3.03Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å; I95-Y99 PolarHBondContact O-N 3.3Å
100C98Very high97.4Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-117.8-1.9-169.2-51.90000113.7A27 E28 S29 I33 A96 L102A27-C100 CarbonylContact C-O 3.55Å; A27-C100 VanDerWaalsContact CA-O 3.31Å; A27-C100 WeakPolarHBondContact CA-O 3.32Å; E28-C100 PolarHBondContact N-O 3.29Å; S29-C100 PolarHBondContact O-SG 2.99Å; I33-C100 VanDerWaalsContact CG1-SG 3.58Å; A96-C100 CarbonylContact O-C 3.51Å; A96-C100 WeakPolarHBondContact O-CA 3.44Å; A96-C100 VanDerWaalsContact O-CB 3.23Å; A96-C100 WeakPolarHBondContact O-CB 3.46Å; A96-C100 PolarHBondContact O-N 2.93Å; A96-C100 VanDerWaalsContact O-N 3.11Å; C100-L102 HydrophobicContact CB-CB 4.39Å; C100-L102 HydrophobicContact CB-CD1 3.72Å; C100-L102 HydrophobicContact CB-CG 3.76Å; C100-L102 PolarHBondContact O-N 3.2Å
101N97.4Very high97.4Very high45 Ų4532.2 Ų32.224%0.24117%0.165CC..  trans55.127.7-172.4-62.6-64.2000113.4S22 T26 A96 G97 D103S22-N101 VanDerWaalsContact CB-O 3.3Å; S22-N101 WeakPolarHBondContact CB-O 3.36Å; S22-N101 PolarHBondContact OG-O 2.64Å; T26-N101 PolarHBondContact O-ND2 3.1Å; T26-N101 PolarHBondContact OG1-ND2 2.87Å; A96-N101 PolarHBondContact O-N 2.87Å; G97-N101 WeakPolarHBondContact O-CA 3.4Å; G97-N101 PolarHBondContact O-N 3.29Å; N101-D103 PolarHBondContact O-N 3.39Å
102L97Very high97.3Very high3 Ų330.9 Ų30.92%0.01616%0.156CC..  trans-91.195.3177.3-66.3173.7000109.2F20 A27 L30 A96 G97 C100F20-L102 HydrophobicContact CB-CB 4.06Å; F20-L102 HydrophobicContact CB-CD1 3.85Å; F20-L102 HydrophobicContact CB-CD2 4.28Å; F20-L102 HydrophobicContact CB-CG 4.28Å; F20-L102 HydrophobicContact CD1-CB 4.09Å; F20-L102 HydrophobicContact CG-CB 4.35Å; F20-L102 HydrophobicContact CG-CD1 4.3Å; A27-L102 HydrophobicContact CB-CD2 4.22Å; L30-L102 HydrophobicContact CD2-CD1 3.5Å; L30-L102 VanDerWaalsContact CD2-CD1 3.5Å; L30-L102 HydrophobicContact CG-CD1 3.66Å; A96-L102 HydrophobicContact CB-CB 4.27Å; A96-L102 PolarHBondContact O-N 2.8Å; A96-L102 VanDerWaalsContact O-N 3.14Å; G97-L102 WeakPolarHBondContact CA-O 3.45Å; G97-L102 PolarHBondContact N-O 3.32Å; C100-L102 HydrophobicContact CB-CB 4.39Å; C100-L102 HydrophobicContact CB-CD1 3.72Å; C100-L102 HydrophobicContact CB-CG 3.76Å; C100-L102 PolarHBondContact O-N 3.2Å
103D93.7Very high97.3Very high72 Ų7231.1 Ų31.139%0.38516%0.157SC..  trans-105.21.2-171.660.7-6.7000114R24 N101R24-D103 IonicContact CZ-OD2 3.17Å; R24-D103 IonicContact NE-OD2 2.86Å; R24-D103 PolarHBondContact NE-OD2 3.21Å; R24-D103 IonicContact NH2-OD2 2.77Å; R24-D103 PolarHBondContact NH2-OD2 2.81Å; N101-D103 PolarHBondContact O-N 3.39Å
104Q95.4Very high97.1Very high94 Ų9430.4 Ų30.444%0.43915%0.154SC..EExtended strand (participates in β ladder)trans-125.2142.4178.4-60.9-179.216.300111.2F20 E21F20-Q104 WeakPolarHBondContact CA-O 3.3Å; E21-Q104 HydrophobicContact CB-CB 4.26Å; E21-Q104 PolarHBondContact N-O 3.06Å; E21-Q104 PolarHBondContact O-N 2.78Å
105V96.9Very high97Very high24 Ų2425.7 Ų25.715%0.14513%0.131CC..EExtended strand (participates in β ladder)trans-104.6108.2171.4177.80000107.9V18 W19 F20 L93 N107 V108 F139 L160 N164V18-V105 HydrophobicContact CG1-CG1 3.99Å; V18-V105 HydrophobicContact CG1-CG2 4.36Å; W19-V105 CarbonylContact O-C 3.52Å; W19-V105 WeakPolarHBondContact O-CA 3.19Å; F20-V105 HydrophobicContact CD1-CG2 4.48Å; F20-V105 HydrophobicContact CE1-CG2 4.32Å; L93-V105 HydrophobicContact CD2-CG2 3.48Å; L93-V105 VanDerWaalsContact CD2-CG2 3.48Å; V105-N107 WeakPolarHBondContact CG1-O 3.34Å; V105-V108 HydrophobicContact CG1-CG2 3.44Å; V105-V108 VanDerWaalsContact CG1-CG2 3.44Å; V105-F139 HydrophobicContact CB-CE1 4.36Å; V105-F139 HydrophobicContact CG1-CD1 4.44Å; V105-F139 HydrophobicContact CG1-CE1 4.07Å; V105-F139 HydrophobicContact CG2-CE1 4.13Å; V105-L160 HydrophobicContact CG1-CD1 4.36Å; V105-N164 WeakPolarHBondContact O-CB 3.2Å; V105-N164 PolarHBondContact O-ND2 2.7Å; V105-N164 VanDerWaalsContact O-ND2 3.15Å
106A95.7Very high96.8Very high4 Ų428.7 Ų28.73%0.03315%0.147CC..EExtended strand (participates in β ladder)trans-69-42.4177.400000111.5W19 E21 N164 G165W19-A106 HydrophobicContact CB-CB 4.24Å; W19-A106 PolarHBondContact O-N 3.14Å; E21-A106 HydrophobicContact CB-CB 4.39Å; E21-A106 HydrophobicContact CG-CB 3.67Å; A106-N164 PolarHBondContact O-N 3.45Å; A106-G165 PolarHBondContact O-N 3.48Å
107N96.2Very high96.7Very high5 Ų532.2 Ų32.23%0.02716%0.16CC..EExtended strand (participates in β ladder)trans-157.6161.3175.6-149.4-8.7000111.8W19 V105 F109 T159 L160 A163W19-N107 HydrophobicContact CB-CB 4.37Å; W19-N107 HydrophobicContact CD2-CB 4.5Å; W19-N107 HydrophobicContact CE3-CB 4.37Å; W19-N107 PolarHBondContact N-O 2.75Å; W19-N107 PolarHBondContact O-N 3.49Å; V105-N107 WeakPolarHBondContact CG1-O 3.34Å; N107-F109 HydrophobicContact CB-CE2 4.03Å; N107-F109 HydrophobicContact CB-CZ 4.39Å; N107-F109 WeakPolarHBondContact ND2-CZ 3.4Å; N107-T159 PolarHBondContact OD1-OG1 2.82Å; N107-L160 WeakPolarHBondContact OD1-CB 3.28Å; N107-L160 PolarHBondContact OD1-N 3Å; N107-A163 HydrophobicContact CB-CB 4.39Å
108V97.6Very high96.6Very high0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-133.8141.1172.3179.50000107.4L16 E17 V18 V105 F139 T159 L160L16-V108 HydrophobicContact CD1-CG1 4.03Å; E17-V108 CarbonylContact O-C 3.47Å; E17-V108 WeakPolarHBondContact O-CA 3.28Å; V18-V108 HydrophobicContact CG1-CG2 4.38Å; V105-V108 HydrophobicContact CG1-CG2 3.44Å; V105-V108 VanDerWaalsContact CG1-CG2 3.44Å; V108-F139 HydrophobicContact CB-CE2 4.5Å; V108-F139 HydrophobicContact CG1-CE2 4.16Å; V108-F139 HydrophobicContact CG2-CD1 4.09Å; V108-F139 HydrophobicContact CG2-CD2 4.2Å; V108-F139 HydrophobicContact CG2-CE1 3.74Å; V108-F139 HydrophobicContact CG2-CE2 3.85Å; V108-F139 HydrophobicContact CG2-CG 4.31Å; V108-F139 HydrophobicContact CG2-CZ 3.6Å; V108-T159 WeakPolarHBondContact O-CA 3.36Å; V108-T159 VanDerWaalsContact O-CB 3.26Å; V108-T159 WeakPolarHBondContact O-CB 3.42Å; V108-T159 PolarHBondContact O-OG1 3.09Å; V108-L160 HydrophobicContact CB-CD2 4.48Å; V108-L160 HydrophobicContact CB-CG 4.35Å; V108-L160 HydrophobicContact CG2-CD1 4.44Å; V108-L160 HydrophobicContact CG2-CG 4.44Å
109F97.8Very high96.6Very high12 Ų1232.3 Ų32.35%0.05316%0.158CC..EExtended strand (participates in β ladder)trans-128.6117.3166.7-53.3-93000107.3L16 E17 W19 N107 L157 Y158 T159 F284L16-F109 CarbonylContact C-O 3.59Å; L16-F109 WeakPolarHBondContact CA-O 3.47Å; E17-F109 HydrophobicContact CB-CB 4.23Å; E17-F109 HydrophobicContact CB-CD2 4.41Å; E17-F109 HydrophobicContact CG-CD2 4.17Å; E17-F109 PolarHBondContact N-O 3.46Å; E17-F109 PolarHBondContact O-N 2.88Å; W19-F109 HydrophobicContact CD2-CE2 4.3Å; W19-F109 AromaticContact CE2-CE2 3.86Å; W19-F109 HydrophobicContact CH2-CE2 4.45Å; W19-F109 AromaticContact CZ2-CE2 3.98Å; W19-F109 HydrophobicContact CZ2-CE2 3.98Å; N107-F109 HydrophobicContact CB-CE2 4.03Å; N107-F109 HydrophobicContact CB-CZ 4.39Å; N107-F109 WeakPolarHBondContact ND2-CZ 3.4Å; F109-L157 HydrophobicContact CB-CD1 4.49Å; F109-L157 HydrophobicContact CD1-CD1 4.3Å; F109-Y158 WeakPolarHBondContact CA-O 3.22Å; F109-T159 WeakPolarHBondContact CD1-OG1 3.35Å; F109-T159 WeakPolarHBondContact CE1-OG1 3.2Å; F109-F284 HydrophobicContact CD1-CE1 4.2Å; F109-F284 HydrophobicContact CD1-CZ 4.46Å; F109-F284 HydrophobicContact CE1-CD1 4.43Å; F109-F284 HydrophobicContact CE1-CE1 4.11Å
110Y98.6Very high96.5Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-118.1125.7169.6171.3-103.2000108.3K14 L15 L85 L86 H112 H125 F128 E131 L135 L157 Y158K14-Y110 HydrophobicContact CB-CE2 4.18Å; L15-Y110 VanDerWaalsContact O-CA 3.28Å; L15-Y110 WeakPolarHBondContact O-CA 3.26Å; L15-Y110 WeakPolarHBondContact O-CD2 3.48Å; L85-Y110 HydrophobicContact CD2-CD2 4Å; L85-Y110 HydrophobicContact CD2-CE2 3.8Å; L86-Y110 HydrophobicContact CD2-CD1 4.34Å; L86-Y110 HydrophobicContact CD2-CD2 3.7Å; L86-Y110 HydrophobicContact CD2-CE1 4.31Å; L86-Y110 HydrophobicContact CD2-CE2 3.68Å; L86-Y110 HydrophobicContact CD2-CG 4.04Å; L86-Y110 HydrophobicContact CG-CE2 4.38Å; Y110-H112 AromaticContact CE1-CD2 3.73Å; Y110-H112 AromaticContact CZ-CD2 3.81Å; Y110-H125 PolarHBondContact OH-ND1 3.26Å; Y110-F128 HydrophobicContact CD1-CE2 4.21Å; Y110-F128 HydrophobicContact CE1-CE2 4.17Å; Y110-E131 HydrophobicContact CE1-CB 3.93Å; Y110-E131 HydrophobicContact CE1-CG 4.31Å; Y110-E131 PolarHBondContact OH-OE1 2.89Å; Y110-L135 HydrophobicContact CD1-CD1 3.68Å; Y110-L135 HydrophobicContact CG-CD1 3.96Å; Y110-L157 CarbonylContact O-C 3.55Å; Y110-L157 WeakPolarHBondContact O-CA 3.32Å; Y110-Y158 PolarHBondContact N-O 2.76Å; Y110-Y158 PolarHBondContact O-N 3.05Å
111S98.4Very high96.4Very high3 Ų332 Ų322%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-148.1153.9-177.859.10000113L15 W155 Y156L15-S111 WeakPolarHBondContact CD2-OG 3.13Å; L15-S111 PolarHBondContact N-O 3.25Å; L15-S111 PolarHBondContact O-N 3.38Å; S111-W155 VanDerWaalsContact CB-CH2 3.47Å; S111-W155 WeakPolarHBondContact OG-CZ2 3.07Å; S111-Y156 WeakPolarHBondContact CA-O 3.14Å; S111-Y156 WeakPolarHBondContact CB-O 3.5Å
112H98Very high96.3Very high3 Ų331.2 Ų31.21%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-163.4159.9169.162.2100.9000109.8E13 K14 Y110 F115 F128 E131 Y156E13-H112 VanDerWaalsContact O-CB 3.24Å; E13-H112 WeakPolarHBondContact O-CB 3.43Å; K14-H112 HydrophobicContact CB-CB 4.5Å; K14-H112 HydrophobicContact CG-CB 4.23Å; Y110-H112 AromaticContact CE1-CD2 3.73Å; Y110-H112 AromaticContact CZ-CD2 3.81Å; H112-F115 HydrophobicContact CB-CZ 4.46Å; H112-F115 AromaticContact CE1-CE2 3.56Å; H112-F115 AromaticContact CE1-CZ 3.71Å; H112-F115 AromaticContact CG-CZ 3.9Å; H112-F115 AromaticContact ND1-CE1 3.95Å; H112-F115 AromaticContact ND1-CE2 3.56Å; H112-F115 AromaticContact ND1-CZ 3.3Å; H112-F115 VanDerWaalsContact ND1-CZ 3.3Å; H112-F115 WeakPolarHBondContact ND1-CZ 3.31Å; H112-F128 AromaticContact NE2-CD2 3.45Å; H112-F128 WeakPolarHBondContact NE2-CD2 3.42Å; H112-E131 IonicContact CD2-OE2 3.5Å; H112-E131 IonicContact CE1-OE2 2.69Å; H112-E131 IonicContact NE2-OE1 3.12Å; H112-E131 IonicContact NE2-OE2 2.74Å; H112-E131 PolarHBondContact NE2-OE2 3.11Å; H112-Y156 AromaticContact CE1-CD2 3.44Å; H112-Y156 VanDerWaalsContact CE1-CD2 3.44Å; H112-Y156 WeakPolarHBondContact CE1-CD2 3.24Å; H112-Y156 AromaticContact CE1-CE2 3.99Å; H112-Y156 PolarHBondContact N-O 3.43Å; H112-Y156 AromaticContact ND1-CD2 3.89Å; H112-Y156 AromaticContact NE2-CD2 3.8Å; H112-Y156 PolarHBondContact O-N 3.07Å
113K97Very high96.2Very high5 Ų536.8 Ų36.82%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-73.8157.1164.9-176.7-170.9172.2-58.50109.9V12 F115 D153 R154 L177 Y251 I280V12-K113 HydrophobicContact CG1-CB 3.83Å; V12-K113 VanDerWaalsContact CG1-O 3.32Å; V12-K113 WeakPolarHBondContact CG1-O 3.45Å; V12-K113 HydrophobicContact CG2-CB 4.47Å; V12-K113 HydrophobicContact CG2-CD 4.28Å; K113-F115 PolarHBondContact O-N 3.38Å; K113-D153 VanDerWaalsContact CE-CG 3.42Å; K113-D153 WeakPolarHBondContact CE-OD1 3.42Å; K113-D153 IonicContact NZ-OD1 3.41Å; K113-D153 PolarHBondContact NZ-OD1 3.16Å; K113-R154 CarbonylContact C-O 3.51Å; K113-R154 VanDerWaalsContact CA-O 3.32Å; K113-R154 WeakPolarHBondContact CA-O 3.48Å; K113-R154 WeakPolarHBondContact CG-O 3.36Å; K113-L177 HydrophobicContact CB-CD1 3.81Å; K113-Y251 HydrophobicContact CD-CE2 4.17Å; K113-I280 HydrophobicContact CD-CD1 4.04Å; K113-I280 HydrophobicContact CG-CD1 3.91Å
114N95.6Very high96.3Very high29 Ų2934.8 Ų34.816%0.15517%0.173CC..PPolyproline II helixtrans-56.7130.216568.9-54.9000111.8D153 R154 Y156N114-D153 WeakPolarHBondContact OD1-CA 3.08Å; N114-R154 HydrophobicContact CB-CB 4.32Å; N114-R154 PolarHBondContact N-O 3.45Å; N114-R154 PolarHBondContact OD1-N 3.19Å; N114-R154 PolarHBondContact OD1-O 3.04Å; N114-Y156 HydrophobicContact CB-CE2 3.91Å
115F96.3Very high96.4Very high15 Ų1530.3 Ų30.37%0.06615%0.152CC..PPolyproline II helixtrans-62.8149.8178.2-56.3-61.4000112.1E10 V12 K14 H112 K113 P118 Q121 H125E10-F115 HydrophobicContact CG-CB 4.49Å; E10-F115 HydrophobicContact CG-CD1 3.82Å; E10-F115 WeakPolarHBondContact OE2-CB 3.39Å; V12-F115 HydrophobicContact CB-CD1 3.94Å; V12-F115 HydrophobicContact CB-CE1 4.32Å; V12-F115 HydrophobicContact CG1-CD1 3.82Å; V12-F115 HydrophobicContact CG1-CE1 3.85Å; K14-F115 HydrophobicContact CD-CZ 4.2Å; K14-F115 HydrophobicContact CG-CE1 4.13Å; K14-F115 HydrophobicContact CG-CZ 3.99Å; H112-F115 HydrophobicContact CB-CZ 4.46Å; H112-F115 AromaticContact CE1-CE2 3.56Å; H112-F115 AromaticContact CE1-CZ 3.71Å; H112-F115 AromaticContact CG-CZ 3.9Å; H112-F115 AromaticContact ND1-CE1 3.95Å; H112-F115 AromaticContact ND1-CE2 3.56Å; H112-F115 AromaticContact ND1-CZ 3.3Å; H112-F115 VanDerWaalsContact ND1-CZ 3.3Å; H112-F115 WeakPolarHBondContact ND1-CZ 3.31Å; K113-F115 PolarHBondContact O-N 3.38Å; F115-P118 HydrophobicContact CB-CB 4.26Å; F115-P118 HydrophobicContact CD2-CB 4.49Å; F115-Q121 HydrophobicContact CB-CG 4.44Å; F115-Q121 HydrophobicContact CD1-CG 4.27Å; F115-Q121 HydrophobicContact CD2-CG 3.85Å; F115-Q121 HydrophobicContact CE2-CG 4.22Å; F115-Q121 HydrophobicContact CG-CG 3.9Å; F115-H125 WeakPolarHBondContact CE2-O 3.43Å
116L94.2Very high96.3Very high66 Ų6634.2 Ų34.235%0.34616%0.164SC..SBendtrans-67.7-39.8170.4-81.1138.3000110.8F8 E10 H249F8-L116 HydrophobicContact CE2-CB 4.21Å; F8-L116 HydrophobicContact CZ-CB 3.96Å; E10-L116 PolarHBondContact OE1-N 3.24Å; E10-L116 PolarHBondContact OE2-N 3.49Å; L116-H249 HydrophobicContact CD1-CB 4.43Å
117R95.1Very high96.3Very high73 Ų7339 Ų3928%0.27519%0.186SC..  trans-132.570.4-177.5-58.4-67.2-61.4-76.8-10.1110.5F8 E10 E119 L120F8-R117 HydrophobicContact CD1-CB 4.32Å; F8-R117 HydrophobicContact CD1-CG 4.07Å; F8-R117 HydrophobicContact CD2-CG 4.19Å; F8-R117 HydrophobicContact CE1-CB 3.59Å; F8-R117 HydrophobicContact CE1-CG 3.53Å; F8-R117 HydrophobicContact CE2-CG 3.67Å; F8-R117 HydrophobicContact CG-CG 4.37Å; F8-R117 HydrophobicContact CZ-CB 3.73Å; F8-R117 HydrophobicContact CZ-CG 3.31Å; E10-R117 PolarHBondContact OE2-N 3.46Å; R117-E119 WeakPolarHBondContact CA-OE2 3.25Å; R117-E119 IonicContact CZ-OE1 3.33Å; R117-E119 IonicContact NE-OE1 2.64Å; R117-E119 PolarHBondContact NE-OE1 3.26Å; R117-E119 IonicContact NE-OE2 3.19Å; R117-E119 IonicContact NH2-OE1 3.86Å; R117-E119 PolarHBondContact NH2-OE1 2.91Å; R117-E119 PolarHBondContact O-N 3.3Å; R117-E119 VanDerWaalsContact O-N 3.11Å; R117-L120 HydrophobicContact CB-CB 4.31Å; R117-L120 HydrophobicContact CB-CD1 3.79Å; R117-L120 HydrophobicContact CB-CG 4.02Å; R117-L120 HydrophobicContact CG-CD1 4.23Å; R117-L120 PolarHBondContact O-N 3.21Å
118P95.5Very high96.4Very high50 Ų5039.4 Ų39.433%0.32519%0.188SC..G310 helixtrans-57.5-28-176.524.2-34.2000113.1F115 L120 Q121 R126F115-P118 HydrophobicContact CB-CB 4.26Å; F115-P118 HydrophobicContact CD2-CB 4.49Å; P118-L120 PolarHBondContact O-N 3.35Å; P118-Q121 WeakPolarHBondContact O-CB 3.34Å; P118-Q121 PolarHBondContact O-N 2.96Å; P118-Q121 VanDerWaalsContact O-N 3.13Å; P118-R126 WeakPolarHBondContact O-CG 3.48Å
119E96Very high96.4Very high98 Ų9846 Ų4646%0.45822%0.219SC..G310 helixtrans-67.8-19.4177.876.6-76.9-171.700114.3R117R117-E119 WeakPolarHBondContact CA-OE2 3.25Å; R117-E119 IonicContact CZ-OE1 3.33Å; R117-E119 IonicContact NE-OE1 2.64Å; R117-E119 PolarHBondContact NE-OE1 3.26Å; R117-E119 IonicContact NE-OE2 3.19Å; R117-E119 IonicContact NH2-OE1 3.86Å; R117-E119 PolarHBondContact NH2-OE1 2.91Å; R117-E119 PolarHBondContact O-N 3.3Å; R117-E119 VanDerWaalsContact O-N 3.11Å
120L95.5Very high96.3Very high68 Ų6851.9 Ų51.936%0.35624%0.24SC..G310 helixtrans-88.1-9.7175.4-60.9-178.7000112.6F8 R117 P118F8-L120 HydrophobicContact CD1-CD1 3.53Å; F8-L120 HydrophobicContact CE1-CD1 3.97Å; F8-L120 HydrophobicContact CG-CD1 4.39Å; R117-L120 HydrophobicContact CB-CB 4.31Å; R117-L120 HydrophobicContact CB-CD1 3.79Å; R117-L120 HydrophobicContact CB-CG 4.02Å; R117-L120 HydrophobicContact CG-CD1 4.23Å; R117-L120 PolarHBondContact O-N 3.21Å; P118-L120 PolarHBondContact O-N 3.35Å
121Q96.8Very high96.3Very high4 Ų451.9 Ų51.92%0.01924%0.24CC..SBendtrans-74.1154.4175.2-64.9-63.2-56.300111.3G81 F115 P118 H125 R126G81-Q121 PolarHBondContact O-NE2 3.46Å; G81-Q121 PolarHBondContact O-OE1 2.85Å; G81-Q121 VanDerWaalsContact O-OE1 3.05Å; F115-Q121 HydrophobicContact CB-CG 4.44Å; F115-Q121 HydrophobicContact CD1-CG 4.27Å; F115-Q121 HydrophobicContact CD2-CG 3.85Å; F115-Q121 HydrophobicContact CE2-CG 4.22Å; F115-Q121 HydrophobicContact CG-CG 3.9Å; P118-Q121 WeakPolarHBondContact O-CB 3.34Å; P118-Q121 PolarHBondContact O-N 2.96Å; P118-Q121 VanDerWaalsContact O-N 3.13Å; Q121-H125 HydrophobicContact CB-CB 4.04Å; Q121-R126 HydrophobicContact CB-CG 4.44Å; Q121-R126 PolarHBondContact O-NE 2.83Å
122P95.6Very high96.3Very high28 Ų2852.8 Ų52.818%0.18225%0.246CC..  trans-50.3147.3167.2-25.935.4000110.8S82 M124 H125 R126S82-P122 WeakPolarHBondContact O-CG 3.38Å; P122-M124 HydrophobicContact CB-CG 4.07Å; P122-M124 PolarHBondContact O-N 3.14Å; P122-H125 WeakPolarHBondContact O-CA 3.27Å; P122-H125 PolarHBondContact O-N 3.46Å; P122-R126 WeakPolarHBondContact O-CG 3.4Å; P122-R126 PolarHBondContact O-N 3.3Å
123E95.5Very high96.3Very high120 Ų12055.6 Ų55.656%0.56127%0.269SS*.G310 helixtrans-50.6-40.7-173.7-176176.6174.900113.3H125 R126 R130E123-H125 PolarHBondContact O-N 3.44Å; E123-R126 PolarHBondContact O-N 2.7Å; E123-R130 IonicContact OE1-NH1 3.84Å
124M94.6Very high96.3Very high29 Ų2957.8 Ų57.814%0.14328%0.28CS..G310 helixtrans-58.7-27.2177.163.1-166.7-68.100114L86 R87 P122 E131L86-M124 HydrophobicContact CB-CE 3.5Å; L86-M124 VanDerWaalsContact CB-CE 3.5Å; L86-M124 HydrophobicContact CD1-CE 4.33Å; L86-M124 HydrophobicContact CG-CE 4.22Å; R87-M124 HydrophobicContact CG-CE 3.99Å; R87-M124 HydrophobicContact CG-SD 4.05Å; P122-M124 HydrophobicContact CB-CG 4.07Å; P122-M124 PolarHBondContact O-N 3.14Å; M124-E131 WeakPolarHBondContact O-CG 3.29Å
125H96.8Very high96.5Very high0 Ų056.4 Ų56.40%027%0.272CS..G310 helixtrans-105.84.6-174.9-69-57.2000114T83 L85 Y110 F115 Q121 P122 E123 H127 E131T83-H125 PolarHBondContact O-CD2 3.18Å; T83-H125 VanDerWaalsContact O-CD2 3.26Å; L85-H125 PolarHBondContact N-NE2 3.36Å; L85-H125 VanDerWaalsContact N-NE2 3.2Å; Y110-H125 PolarHBondContact OH-ND1 3.26Å; F115-H125 WeakPolarHBondContact CE2-O 3.43Å; Q121-H125 HydrophobicContact CB-CB 4.04Å; P122-H125 WeakPolarHBondContact O-CA 3.27Å; P122-H125 PolarHBondContact O-N 3.46Å; E123-H125 PolarHBondContact O-N 3.44Å; H125-H127 VanDerWaalsContact C-N 3.32Å; H125-E131 VanDerWaalsContact CA-OE1 3.26Å; H125-E131 WeakPolarHBondContact CA-OE1 3.32Å; H125-E131 IonicContact CE1-OE1 3.61Å; H125-E131 IonicContact CG-OE1 3Å; H125-E131 IonicContact ND1-OE1 2.71Å; H125-E131 PolarHBondContact ND1-OE1 3.11Å
126R96.2Very high96.5Very high106 Ų10659.3 Ų59.340%0.429%0.288SS..SBendtrans-74.7-26.2-177.3-61.7-170.4179.1157.6-2113.1P118 Q121 P122 E123P118-R126 WeakPolarHBondContact O-CG 3.48Å; Q121-R126 HydrophobicContact CB-CG 4.44Å; Q121-R126 PolarHBondContact O-NE 2.83Å; P122-R126 WeakPolarHBondContact O-CG 3.4Å; P122-R126 PolarHBondContact O-N 3.3Å; E123-R126 PolarHBondContact O-N 2.7Å
127H95.9Very high96.7Very high104 Ų10460.6 Ų60.648%0.48130%0.303SS..  trans-141.1129.9-174.5-59-66.7000109.8H125 E129 R130 E131H125-H127 VanDerWaalsContact C-N 3.32Å; H127-E129 PolarHBondContact O-N 3.44Å; H127-R130 HydrophobicContact CB-CG 4.23Å; H127-R130 WeakPolarHBondContact O-CB 3.42Å; H127-R130 PolarHBondContact O-N 3.17Å; H127-E131 PolarHBondContact O-N 3.05Å
128F97.4Very high96.8Very high15 Ų1559.1 Ų59.17%0.06630%0.3CS..Hα-helixtrans-62.9-33.6-178.7-174-116.3000112.5Y110 H112 R130 E131 V132 Y156 L157Y110-F128 HydrophobicContact CD1-CE2 4.21Å; Y110-F128 HydrophobicContact CE1-CE2 4.17Å; H112-F128 AromaticContact NE2-CD2 3.45Å; H112-F128 WeakPolarHBondContact NE2-CD2 3.42Å; F128-R130 PolarHBondContact O-N 2.74Å; F128-E131 VanDerWaalsContact CA-OE2 3.22Å; F128-E131 WeakPolarHBondContact CA-OE2 3.2Å; F128-E131 HydrophobicContact CD2-CB 4.28Å; F128-E131 WeakPolarHBondContact CD2-OE2 3.43Å; F128-E131 WeakPolarHBondContact O-CB 3.47Å; F128-E131 PolarHBondContact O-N 2.82Å; F128-E131 VanDerWaalsContact O-N 3.1Å; F128-V132 HydrophobicContact CD1-CG2 3.92Å; F128-V132 HydrophobicContact CD2-CG2 4.46Å; F128-V132 HydrophobicContact CE1-CG2 3.53Å; F128-V132 HydrophobicContact CE2-CG2 4.1Å; F128-V132 HydrophobicContact CG-CG2 4.37Å; F128-V132 HydrophobicContact CZ-CG2 3.6Å; F128-V132 VanDerWaalsContact O-CG2 3.28Å; F128-V132 WeakPolarHBondContact O-CG2 3.22Å; F128-V132 PolarHBondContact O-N 3.34Å; F128-Y156 HydrophobicContact CB-CD1 3.96Å; F128-Y156 HydrophobicContact CB-CD2 4.31Å; F128-Y156 HydrophobicContact CB-CE1 4.06Å; F128-Y156 HydrophobicContact CB-CE2 4.39Å; F128-Y156 HydrophobicContact CB-CG 4.07Å; F128-Y156 AromaticContact CD1-CD1 3.48Å; F128-Y156 HydrophobicContact CD1-CD1 3.48Å; F128-Y156 VanDerWaalsContact CD1-CD1 3.48Å; F128-Y156 HydrophobicContact CD1-CE1 4.19Å; F128-Y156 AromaticContact CD1-CG 3.88Å; F128-Y156 HydrophobicContact CD1-CG 3.88Å; F128-Y156 HydrophobicContact CD2-CD1 4.34Å; F128-Y156 HydrophobicContact CD2-CD2 4.42Å; F128-Y156 AromaticContact CD2-CG 3.9Å; F128-Y156 HydrophobicContact CD2-CG 3.9Å; F128-Y156 HydrophobicContact CE1-CD1 4.07Å; F128-Y156 HydrophobicContact CE1-CG 4.32Å; F128-Y156 HydrophobicContact CE2-CG 4.36Å; F128-Y156 AromaticContact CG-CD1 3.65Å; F128-Y156 HydrophobicContact CG-CD1 3.65Å; F128-Y156 HydrophobicContact CG-CD2 4.29Å; F128-Y156 HydrophobicContact CG-CE1 4.26Å; F128-Y156 AromaticContact CG-CG 3.66Å; F128-Y156 HydrophobicContact CG-CG 3.66Å; F128-L157 WeakPolarHBondContact CZ-O 3.28Å
129E96.9Very high96.9Very high139 Ų13957.4 Ų57.465%0.6529%0.288SS*.Hα-helixtrans-60.6-29.4175.1-60.882.2177.200112.6H127 A133H127-E129 PolarHBondContact O-N 3.44Å; E129-A133 WeakPolarHBondContact O-CB 3.45Å; E129-A133 PolarHBondContact O-N 3.42Å
130R96.9Very high96.9Very high134 Ų13460.3 Ų60.351%0.50630%0.301SS..Hα-helixtrans-77.5-39.1174.8-69.9-176.9173.1-101.53.1111.8E123 H127 F128 V132 A133 Q134E123-R130 IonicContact OE1-NH1 3.84Å; H127-R130 HydrophobicContact CB-CG 4.23Å; H127-R130 WeakPolarHBondContact O-CB 3.42Å; H127-R130 PolarHBondContact O-N 3.17Å; F128-R130 PolarHBondContact O-N 2.74Å; R130-V132 VanDerWaalsContact C-N 3.32Å; R130-A133 PolarHBondContact O-N 3.12Å; R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 PolarHBondContact O-N 2.88Å
131E98.3Very high96.8Very high0 Ų061.3 Ų61.30%031%0.307CS..Hα-helixtrans-60.7-45.7174.8-64.9168.3137.100109.9L86 Y110 H112 M124 H125 H127 F128 Q134 L135L86-E131 HydrophobicContact CD1-CB 3.88Å; L86-E131 HydrophobicContact CD1-CG 3.96Å; Y110-E131 HydrophobicContact CE1-CB 3.93Å; Y110-E131 HydrophobicContact CE1-CG 4.31Å; Y110-E131 PolarHBondContact OH-OE1 2.89Å; H112-E131 IonicContact CD2-OE2 3.5Å; H112-E131 IonicContact CE1-OE2 2.69Å; H112-E131 IonicContact NE2-OE1 3.12Å; H112-E131 IonicContact NE2-OE2 2.74Å; H112-E131 PolarHBondContact NE2-OE2 3.11Å; M124-E131 WeakPolarHBondContact O-CG 3.29Å; H125-E131 VanDerWaalsContact CA-OE1 3.26Å; H125-E131 WeakPolarHBondContact CA-OE1 3.32Å; H125-E131 IonicContact CE1-OE1 3.61Å; H125-E131 IonicContact CG-OE1 3Å; H125-E131 IonicContact ND1-OE1 2.71Å; H125-E131 PolarHBondContact ND1-OE1 3.11Å; H127-E131 PolarHBondContact O-N 3.05Å; F128-E131 VanDerWaalsContact CA-OE2 3.22Å; F128-E131 WeakPolarHBondContact CA-OE2 3.2Å; F128-E131 HydrophobicContact CD2-CB 4.28Å; F128-E131 WeakPolarHBondContact CD2-OE2 3.43Å; F128-E131 WeakPolarHBondContact O-CB 3.47Å; F128-E131 PolarHBondContact O-N 2.82Å; F128-E131 VanDerWaalsContact O-N 3.1Å; E131-Q134 PolarHBondContact O-N 2.9Å; E131-L135 WeakPolarHBondContact O-CB 3.33Å; E131-L135 WeakPolarHBondContact O-CD1 3.34Å; E131-L135 VanDerWaalsContact O-CG 3.27Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 2.84Å
132V98.5Very high96.8Very high23 Ų2362.2 Ų62.214%0.13932%0.318CS..Hα-helixtrans-58.9-51173.1173.90000111.2F128 R130 Q134 L135 D136 Y158F128-V132 HydrophobicContact CD1-CG2 3.92Å; F128-V132 HydrophobicContact CD2-CG2 4.46Å; F128-V132 HydrophobicContact CE1-CG2 3.53Å; F128-V132 HydrophobicContact CE2-CG2 4.1Å; F128-V132 HydrophobicContact CG-CG2 4.37Å; F128-V132 HydrophobicContact CZ-CG2 3.6Å; F128-V132 VanDerWaalsContact O-CG2 3.28Å; F128-V132 WeakPolarHBondContact O-CG2 3.22Å; F128-V132 PolarHBondContact O-N 3.34Å; R130-V132 VanDerWaalsContact C-N 3.32Å; V132-Q134 VanDerWaalsContact C-N 3.26Å; V132-Q134 PolarHBondContact O-N 2.94Å; V132-L135 PolarHBondContact O-N 2.79Å; V132-L135 VanDerWaalsContact O-N 3.09Å; V132-D136 WeakPolarHBondContact O-CB 3.36Å; V132-D136 PolarHBondContact O-N 2.97Å; V132-Y158 HydrophobicContact CB-CD2 4.35Å; V132-Y158 HydrophobicContact CG1-CD2 4.1Å; V132-Y158 HydrophobicContact CG1-CE2 4.1Å; V132-Y158 HydrophobicContact CG2-CD2 4.11Å
133A97.8Very high96.9Very high61 Ų6161.9 Ų61.950%0.50432%0.317SS..Hα-helixtrans-61.6-34.5-179.200000113E129 R130 S137E129-A133 WeakPolarHBondContact O-CB 3.45Å; E129-A133 PolarHBondContact O-N 3.42Å; R130-A133 PolarHBondContact O-N 3.12Å; A133-S137 PolarHBondContact O-N 3.1Å
134Q97.5Very high97Very high52 Ų5258 Ų5824%0.24331%0.309CS..Hα-helixtrans-67.4-45.9173.4-179.3176.7-14.100111R130 E131 V132 D136 S137R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 PolarHBondContact O-N 2.88Å; E131-Q134 PolarHBondContact O-N 2.9Å; V132-Q134 VanDerWaalsContact C-N 3.26Å; V132-Q134 PolarHBondContact O-N 2.94Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.3Å; Q134-S137 WeakPolarHBondContact O-CB 3.39Å; Q134-S137 PolarHBondContact O-N 2.89Å; Q134-S137 VanDerWaalsContact O-N 3.15Å; Q134-S137 PolarHBondContact O-OG 2.87Å
135L98.5Very high97.2Very high0 Ų059.1 Ų59.10%031%0.312CS..Hα-helixtrans-63.2-39.5178.2-71.5163.8000111.9L86 I89 Y110 E131 V132 S137 I138 F139 Y158L86-L135 HydrophobicContact CD2-CD1 4.2Å; L86-L135 HydrophobicContact CD2-CD2 3.92Å; L86-L135 HydrophobicContact CD2-CG 4.16Å; I89-L135 HydrophobicContact CD1-CD2 3.33Å; Y110-L135 HydrophobicContact CD1-CD1 3.68Å; Y110-L135 HydrophobicContact CG-CD1 3.96Å; E131-L135 WeakPolarHBondContact O-CB 3.33Å; E131-L135 WeakPolarHBondContact O-CD1 3.34Å; E131-L135 VanDerWaalsContact O-CG 3.27Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 2.84Å; V132-L135 PolarHBondContact O-N 2.79Å; V132-L135 VanDerWaalsContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 2.94Å; L135-I138 WeakPolarHBondContact O-CA 3.41Å; L135-I138 WeakPolarHBondContact O-CB 3.43Å; L135-I138 PolarHBondContact O-N 3.04Å; L135-F139 HydrophobicContact CD2-CD2 4.18Å; L135-F139 HydrophobicContact CD2-CE2 3.9Å; L135-F139 PolarHBondContact O-N 2.54Å; L135-Y158 HydrophobicContact CB-CD1 4.04Å; L135-Y158 HydrophobicContact CB-CD2 4.13Å; L135-Y158 HydrophobicContact CB-CE1 3.62Å; L135-Y158 HydrophobicContact CB-CE2 3.71Å; L135-Y158 HydrophobicContact CB-CG 4.24Å; L135-Y158 VanDerWaalsContact CB-CZ 3.41Å; L135-Y158 HydrophobicContact CD1-CD1 3.61Å; L135-Y158 HydrophobicContact CD1-CD2 3.99Å; L135-Y158 HydrophobicContact CD1-CE1 4.12Å; L135-Y158 HydrophobicContact CD1-CE2 4.43Å; L135-Y158 HydrophobicContact CD1-CG 3.51Å; L135-Y158 HydrophobicContact CD2-CE1 4.45Å; L135-Y158 HydrophobicContact CG-CD1 4.27Å; L135-Y158 HydrophobicContact CG-CE1 4.28Å; L135-Y158 HydrophobicContact CG-CG 4.46Å
136D98.1Very high97.2Very high75 Ų7561.9 Ų61.940%0.40133%0.331SS..Hα-helixtrans-66-18.8175.7-72.6-17000113.5V132 Q134 I138 Y158V132-D136 WeakPolarHBondContact O-CB 3.36Å; V132-D136 PolarHBondContact O-N 2.97Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.3Å; D136-I138 VanDerWaalsContact C-N 3.25Å; D136-Y158 PolarHBondContact N-OH 3.33Å; D136-Y158 WeakPolarHBondContact OD1-CE2 3.38Å; D136-Y158 PolarHBondContact OD1-OH 3.24Å
137S97.7Very high97.2Very high94 Ų9457.6 Ų57.666%0.65732%0.316SS*.THydrogen-bonded Turntrans-77.3-14.9171.6770000113.1A133 Q134 L135A133-S137 PolarHBondContact O-N 3.1Å; Q134-S137 WeakPolarHBondContact O-CB 3.39Å; Q134-S137 PolarHBondContact O-N 2.89Å; Q134-S137 VanDerWaalsContact O-N 3.15Å; Q134-S137 PolarHBondContact O-OG 2.87Å; L135-S137 PolarHBondContact O-N 2.94Å
138I97.9Very high97.2Very high41 Ų4153.2 Ų53.221%0.2130%0.299CS..THydrogen-bonded Turntrans-107-41.7-177.6-57.2167.5000110.5I89 E90 L93 L135 D136I89-I138 HydrophobicContact CB-CD1 4.24Å; I89-I138 HydrophobicContact CG2-CD1 3.95Å; I89-I138 HydrophobicContact CG2-CG2 4.11Å; E90-I138 HydrophobicContact CG-CD1 3.97Å; E90-I138 HydrophobicContact CG-CG1 4.16Å; L93-I138 HydrophobicContact CD1-CG2 3.82Å; L135-I138 WeakPolarHBondContact O-CA 3.41Å; L135-I138 WeakPolarHBondContact O-CB 3.43Å; L135-I138 PolarHBondContact O-N 3.04Å; D136-I138 VanDerWaalsContact C-N 3.25Å
139F97.6Very high97Very high15 Ų1556.7 Ų56.77%0.06631%0.311CS..  trans-116.3136.3-172.8-54.7-66000112.3I89 L93 V105 V108 L135 Y158 L160I89-F139 HydrophobicContact CG2-CE2 3.82Å; I89-F139 HydrophobicContact CG2-CZ 3.51Å; L93-F139 HydrophobicContact CD1-CE1 3.96Å; L93-F139 HydrophobicContact CD1-CZ 4.23Å; V105-F139 HydrophobicContact CB-CE1 4.36Å; V105-F139 HydrophobicContact CG1-CD1 4.44Å; V105-F139 HydrophobicContact CG1-CE1 4.07Å; V105-F139 HydrophobicContact CG2-CE1 4.13Å; V108-F139 HydrophobicContact CB-CE2 4.5Å; V108-F139 HydrophobicContact CG1-CE2 4.16Å; V108-F139 HydrophobicContact CG2-CD1 4.09Å; V108-F139 HydrophobicContact CG2-CD2 4.2Å; V108-F139 HydrophobicContact CG2-CE1 3.74Å; V108-F139 HydrophobicContact CG2-CE2 3.85Å; V108-F139 HydrophobicContact CG2-CG 4.31Å; V108-F139 HydrophobicContact CG2-CZ 3.6Å; L135-F139 HydrophobicContact CD2-CD2 4.18Å; L135-F139 HydrophobicContact CD2-CE2 3.9Å; L135-F139 PolarHBondContact O-N 2.54Å; F139-Y158 HydrophobicContact CD2-CE1 4.27Å; F139-L160 HydrophobicContact CB-CD2 3.71Å; F139-L160 HydrophobicContact CG-CD2 4.21Å
140E94.4Very high96.6Very high159 Ų15956.7 Ų56.774%0.74332%0.315SS*.THydrogen-bonded Turntrans-80.8150.8168.7-61.8-176.2178.600110.6G142E140-G142 VanDerWaalsContact C-N 3.25Å; E140-G142 PolarHBondContact O-N 3.35Å
141N94.3Very high96.1Very high88 Ų8856.3 Ų56.347%0.47132%0.323SS..THydrogen-bonded Turntrans62.128.3178.8-47.3-54.4000114.6N161N141-N161 PolarHBondContact O-N 2.97Å
142G97Very high95.6Very high24 Ų2460.1 Ų60.125%0.24734%0.341CS..EExtended strand (participates in β ladder)trans-60.9142.9169.900000113.4E140 Y158E140-G142 VanDerWaalsContact C-N 3.25Å; E140-G142 PolarHBondContact O-N 3.35Å; G142-Y158 VanDerWaalsContact CA-CZ 3.45Å; G142-Y158 WeakPolarHBondContact CA-OH 2.95Å
143A97.6Very high95.2Very high20 Ų2059.8 Ų59.817%0.16534%0.338CS..EExtended strand (participates in β ladder)trans-139.7120.2173.200000111Y145 Y158 T159 N161A143-Y145 HydrophobicContact CB-CE2 3.56Å; A143-Y145 WeakPolarHBondContact CB-OH 3.44Å; A143-Y145 WeakPolarHBondContact O-CD2 3.4Å; A143-Y145 WeakPolarHBondContact O-CE2 3.48Å; A143-Y158 WeakPolarHBondContact O-CA 3.01Å; A143-T159 PolarHBondContact N-O 2.98Å; A143-T159 PolarHBondContact O-N 3.04Å; A143-N161 HydrophobicContact CB-CB 3.96Å
144G97.8Very high95Very high38 Ų3859.9 Ų59.939%0.39233%0.325SS..EExtended strand (participates in β ladder)trans-90.2136.4171.700000112.4L157G144-L157 CarbonylContact C-O 3.59Å; G144-L157 WeakPolarHBondContact CA-O 3.3Å
145Y97.6Very high95Very high53 Ų5357.5 Ų57.521%0.20831%0.314CS..EExtended strand (participates in β ladder)trans-130145.5179.7-58.7-82.2000110.5A143 Y156 L157 T159 N161 L315 L317A143-Y145 HydrophobicContact CB-CE2 3.56Å; A143-Y145 WeakPolarHBondContact CB-OH 3.44Å; A143-Y145 WeakPolarHBondContact O-CD2 3.4Å; A143-Y145 WeakPolarHBondContact O-CE2 3.48Å; Y145-Y156 WeakPolarHBondContact O-CA 3.36Å; Y145-L157 HydrophobicContact CD2-CD2 3.95Å; Y145-L157 HydrophobicContact CD2-CG 4.28Å; Y145-L157 PolarHBondContact N-O 2.82Å; Y145-L157 PolarHBondContact O-N 3.06Å; Y145-T159 HydrophobicContact CE2-CG2 4.07Å; Y145-N161 PolarHBondContact OH-ND2 3.35Å; Y145-L315 HydrophobicContact CD1-CD1 3.85Å; Y145-L315 HydrophobicContact CD1-CD2 3.65Å; Y145-L315 HydrophobicContact CD1-CG 4.42Å; Y145-L315 HydrophobicContact CD2-CD2 3.87Å; Y145-L315 HydrophobicContact CE1-CD1 3.83Å; Y145-L315 HydrophobicContact CE1-CD2 4.07Å; Y145-L315 HydrophobicContact CE2-CD2 4.25Å; Y145-L315 HydrophobicContact CG-CD2 3.55Å; Y145-L317 HydrophobicContact CE2-CD2 4Å
146C97Very high95Very high59 Ų5958.6 Ų58.640%0.39932%0.318SS..EExtended strand (participates in β ladder)trans-125.2124.1172.2-1790000108.9R154 Y156C146-R154 VanDerWaalsContact SG-CD 3.55Å; C146-Y156 HydrophobicContact CB-CD1 3.93Å; C146-Y156 HydrophobicContact CB-CE1 4.02Å; C146-Y156 WeakPolarHBondContact SG-CE1 3.47Å
147L97Very high95Very high15 Ų1555 Ų558%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-114.1153.7175.2-61.3170.1000109.8R154 W155 Q313 L322 Y324L147-R154 CarbonylContact O-C 3.57Å; L147-R154 VanDerWaalsContact O-CA 3.23Å; L147-R154 WeakPolarHBondContact O-CA 3.45Å; L147-W155 HydrophobicContact CD1-CE3 4.23Å; L147-W155 PolarHBondContact N-O 3.07Å; L147-W155 PolarHBondContact O-N 3.43Å; L147-Q313 VanDerWaalsContact CA-OE1 3.25Å; L147-Q313 HydrophobicContact CD2-CB 4.12Å; L147-L322 HydrophobicContact CD1-CD2 3.37Å; L147-L322 HydrophobicContact CD1-CG 3.89Å; L147-Y324 HydrophobicContact CB-CD1 4.14Å; L147-Y324 HydrophobicContact CB-CD2 3.86Å; L147-Y324 HydrophobicContact CB-CE2 4.36Å; L147-Y324 HydrophobicContact CB-CG 3.74Å; L147-Y324 HydrophobicContact CD1-CG 4.32Å
148G96.1Very high95.1Very high12 Ų1250.6 Ų50.612%0.12427%0.268CS..EExtended strand (participates in β ladder)trans91.3-171.6-171.200000113.3Y324G148-Y324 WeakPolarHBondContact CA-OH 3.33Å
149R92.4Very high95.1Very high88 Ų8848.7 Ų48.733%0.33226%0.259SS..  trans-96.6140.8-177.7-55.7175.7179.8169.79.2110.4N151 H152 R154 L310 D311R149-N151 WeakPolarHBondContact CB-OD1 3.41Å; R149-N151 PolarHBondContact O-N 2.99Å; R149-N151 VanDerWaalsContact O-N 3.1Å; R149-H152 HydrophobicContact CB-CB 4.17Å; R149-H152 CarbonylContact O-C 3.59Å; R149-H152 PolarHBondContact O-N 2.83Å; R149-R154 VanDerWaalsContact O-CG 3.28Å; R149-R154 WeakPolarHBondContact O-CG 3.44Å; R149-L310 PolarHBondContact NH2-O 3.16Å; R149-D311 IonicContact CZ-OD1 3.23Å; R149-D311 VanDerWaalsContact CZ-OD1 3.23Å; R149-D311 IonicContact CZ-OD2 3.28Å; R149-D311 VanDerWaalsContact CZ-OD2 3.28Å; R149-D311 IonicContact NE-OD1 3.89Å; R149-D311 PolarHBondContact NE-OD1 3.47Å; R149-D311 IonicContact NE-OD2 2.69Å; R149-D311 PolarHBondContact NE-OD2 3.03Å; R149-D311 IonicContact NH2-OD1 2.88Å; R149-D311 PolarHBondContact NH2-OD1 2.86Å; R149-D311 IonicContact NH2-OD2 3.32Å; R149-D311 PolarHBondContact NH2-OD2 3.24Å
150L88Confident95Very high140 Ų14048.3 Ų48.373%0.73326%0.257SS*.THydrogen-bonded Turntrans-57.9-27.7179.6-65.6178.7000114.2
151N87.2Confident95Very high125 Ų12543.3 Ų43.367%0.66824%0.236SC*.THydrogen-bonded Turntrans-99.57.1-179.965.2-29.3000114R149R149-N151 WeakPolarHBondContact CB-OD1 3.41Å; R149-N151 PolarHBondContact O-N 2.99Å; R149-N151 VanDerWaalsContact O-N 3.1Å
152H87.7Confident94.9Very high80 Ų8042.6 Ų42.637%0.3724%0.236SC..SBendtrans-133.9-162.1177-67.7-75.8000110.7R149 R154R149-H152 HydrophobicContact CB-CB 4.17Å; R149-H152 CarbonylContact O-C 3.59Å; R149-H152 PolarHBondContact O-N 2.83Å; H152-R154 PolarHBondContact O-N 2.78Å
153D90.8Very high94.6Very high16 Ų1642.4 Ų42.49%0.08623%0.232CC..  trans-62.6133.3173.6-65.8-43.7000110.4K113 N114 R278 I280 Y324 Y326K113-D153 VanDerWaalsContact CE-CG 3.42Å; K113-D153 WeakPolarHBondContact CE-OD1 3.42Å; K113-D153 IonicContact NZ-OD1 3.41Å; K113-D153 PolarHBondContact NZ-OD1 3.16Å; N114-D153 WeakPolarHBondContact OD1-CA 3.08Å; D153-R278 WeakPolarHBondContact OD2-CD 3.12Å; D153-R278 IonicContact OD2-NE 3.53Å; D153-R278 PolarHBondContact OD2-NE 2.82Å; D153-I280 HydrophobicContact CB-CD1 3.9Å; D153-I280 HydrophobicContact CB-CG1 4.49Å; D153-Y324 PolarHBondContact O-OH 3.09Å; D153-Y326 HydrophobicContact CB-CD2 4.36Å; D153-Y326 HydrophobicContact CB-CE2 3.81Å; D153-Y326 WeakPolarHBondContact OD2-CE2 3.3Å; D153-Y326 PolarHBondContact OD2-OH 2.87Å
154R94.1Very high94.2Very high64 Ų6445.9 Ų45.924%0.24225%0.248CC..EExtended strand (participates in β ladder)trans-122152.3178.4-71.1175.1-81.3172.45.8109.3K113 N114 C146 L147 R149 H152 Y156K113-R154 CarbonylContact C-O 3.51Å; K113-R154 VanDerWaalsContact CA-O 3.32Å; K113-R154 WeakPolarHBondContact CA-O 3.48Å; K113-R154 WeakPolarHBondContact CG-O 3.36Å; N114-R154 HydrophobicContact CB-CB 4.32Å; N114-R154 PolarHBondContact N-O 3.45Å; N114-R154 PolarHBondContact OD1-N 3.19Å; N114-R154 PolarHBondContact OD1-O 3.04Å; C146-R154 VanDerWaalsContact SG-CD 3.55Å; L147-R154 CarbonylContact O-C 3.57Å; L147-R154 VanDerWaalsContact O-CA 3.23Å; L147-R154 WeakPolarHBondContact O-CA 3.45Å; R149-R154 VanDerWaalsContact O-CG 3.28Å; R149-R154 WeakPolarHBondContact O-CG 3.44Å; H152-R154 PolarHBondContact O-N 2.78Å; R154-Y156 HydrophobicContact CB-CE1 4.42Å; R154-Y156 HydrophobicContact CB-CE2 4.45Å; R154-Y156 PolarHBondContact NE-OH 2.85Å; R154-Y156 PolarHBondContact NH1-OH 2.73Å; R154-Y156 PolarHBondContact NH2-OH 2.84Å
155W97.3Very high93.7Very high2 Ų245 Ų451%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-124.6127.1171.2-168.894.3000108.5S111 L147 L157 E175 I280 T282 F284 L322 Y324S111-W155 VanDerWaalsContact CB-CH2 3.47Å; S111-W155 WeakPolarHBondContact OG-CZ2 3.07Å; L147-W155 HydrophobicContact CD1-CE3 4.23Å; L147-W155 PolarHBondContact N-O 3.07Å; L147-W155 PolarHBondContact O-N 3.43Å; W155-L157 HydrophobicContact CE3-CB 4.27Å; W155-L157 HydrophobicContact CH2-CB 3.89Å; W155-L157 HydrophobicContact CH2-CD1 4.09Å; W155-L157 HydrophobicContact CH2-CG 4.46Å; W155-L157 HydrophobicContact CZ3-CB 3.43Å; W155-L157 VanDerWaalsContact CZ3-CB 3.43Å; W155-L157 HydrophobicContact CZ3-CD1 4.42Å; W155-L157 HydrophobicContact CZ3-CD2 4.41Å; W155-L157 HydrophobicContact CZ3-CG 4.3Å; W155-E175 PolarHBondContact NE1-OE2 2.76Å; W155-I280 HydrophobicContact CB-CD1 4.44Å; W155-T282 HydrophobicContact CD2-CG2 3.91Å; W155-T282 HydrophobicContact CE3-CG2 4.41Å; W155-T282 HydrophobicContact CG-CG2 4.03Å; W155-T282 HydrophobicContact CZ2-CG2 4.49Å; W155-F284 AromaticContact CH2-CE2 3.6Å; W155-F284 HydrophobicContact CH2-CE2 3.6Å; W155-F284 HydrophobicContact CH2-CZ 4.1Å; W155-F284 HydrophobicContact CZ2-CE2 4.38Å; W155-F284 HydrophobicContact CZ3-CE2 4.25Å; W155-L322 HydrophobicContact CE3-CD2 4.19Å; W155-L322 HydrophobicContact CH2-CD2 4.19Å; W155-L322 HydrophobicContact CZ3-CD1 4.43Å; W155-L322 HydrophobicContact CZ3-CD2 3.43Å; W155-L322 VanDerWaalsContact CZ3-CD2 3.43Å; W155-Y324 HydrophobicContact CB-CD2 3.83Å; W155-Y324 HydrophobicContact CB-CE2 3.65Å
156Y97.9Very high93.1Very high22 Ų2246.8 Ų46.89%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-106.2144.4-176-57.9-71.3000110.4S111 H112 N114 F128 Y145 C146 R154S111-Y156 WeakPolarHBondContact CA-O 3.14Å; S111-Y156 WeakPolarHBondContact CB-O 3.5Å; H112-Y156 AromaticContact CE1-CD2 3.44Å; H112-Y156 VanDerWaalsContact CE1-CD2 3.44Å; H112-Y156 WeakPolarHBondContact CE1-CD2 3.24Å; H112-Y156 AromaticContact CE1-CE2 3.99Å; H112-Y156 PolarHBondContact N-O 3.43Å; H112-Y156 AromaticContact ND1-CD2 3.89Å; H112-Y156 AromaticContact NE2-CD2 3.8Å; H112-Y156 PolarHBondContact O-N 3.07Å; N114-Y156 HydrophobicContact CB-CE2 3.91Å; F128-Y156 HydrophobicContact CB-CD1 3.96Å; F128-Y156 HydrophobicContact CB-CD2 4.31Å; F128-Y156 HydrophobicContact CB-CE1 4.06Å; F128-Y156 HydrophobicContact CB-CE2 4.39Å; F128-Y156 HydrophobicContact CB-CG 4.07Å; F128-Y156 AromaticContact CD1-CD1 3.48Å; F128-Y156 HydrophobicContact CD1-CD1 3.48Å; F128-Y156 VanDerWaalsContact CD1-CD1 3.48Å; F128-Y156 HydrophobicContact CD1-CE1 4.19Å; F128-Y156 AromaticContact CD1-CG 3.88Å; F128-Y156 HydrophobicContact CD1-CG 3.88Å; F128-Y156 HydrophobicContact CD2-CD1 4.34Å; F128-Y156 HydrophobicContact CD2-CD2 4.42Å; F128-Y156 AromaticContact CD2-CG 3.9Å; F128-Y156 HydrophobicContact CD2-CG 3.9Å; F128-Y156 HydrophobicContact CE1-CD1 4.07Å; F128-Y156 HydrophobicContact CE1-CG 4.32Å; F128-Y156 HydrophobicContact CE2-CG 4.36Å; F128-Y156 AromaticContact CG-CD1 3.65Å; F128-Y156 HydrophobicContact CG-CD1 3.65Å; F128-Y156 HydrophobicContact CG-CD2 4.29Å; F128-Y156 HydrophobicContact CG-CE1 4.26Å; F128-Y156 AromaticContact CG-CG 3.66Å; F128-Y156 HydrophobicContact CG-CG 3.66Å; Y145-Y156 WeakPolarHBondContact O-CA 3.36Å; C146-Y156 HydrophobicContact CB-CD1 3.93Å; C146-Y156 HydrophobicContact CB-CE1 4.02Å; C146-Y156 WeakPolarHBondContact SG-CE1 3.47Å; R154-Y156 HydrophobicContact CB-CE1 4.42Å; R154-Y156 HydrophobicContact CB-CE2 4.45Å; R154-Y156 PolarHBondContact NE-OH 2.85Å; R154-Y156 PolarHBondContact NH1-OH 2.73Å; R154-Y156 PolarHBondContact NH2-OH 2.84Å
157L98.3Very high92.4Very high1 Ų145.6 Ų45.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-137.9132.7175.5168.571.5000110F109 Y110 F128 G144 Y145 W155 T159 F284 L315 L322F109-L157 HydrophobicContact CB-CD1 4.49Å; F109-L157 HydrophobicContact CD1-CD1 4.3Å; Y110-L157 CarbonylContact O-C 3.55Å; Y110-L157 WeakPolarHBondContact O-CA 3.32Å; F128-L157 WeakPolarHBondContact CZ-O 3.28Å; G144-L157 CarbonylContact C-O 3.59Å; G144-L157 WeakPolarHBondContact CA-O 3.3Å; Y145-L157 HydrophobicContact CD2-CD2 3.95Å; Y145-L157 HydrophobicContact CD2-CG 4.28Å; Y145-L157 PolarHBondContact N-O 2.82Å; Y145-L157 PolarHBondContact O-N 3.06Å; W155-L157 HydrophobicContact CE3-CB 4.27Å; W155-L157 HydrophobicContact CH2-CB 3.89Å; W155-L157 HydrophobicContact CH2-CD1 4.09Å; W155-L157 HydrophobicContact CH2-CG 4.46Å; W155-L157 HydrophobicContact CZ3-CB 3.43Å; W155-L157 VanDerWaalsContact CZ3-CB 3.43Å; W155-L157 HydrophobicContact CZ3-CD1 4.42Å; W155-L157 HydrophobicContact CZ3-CD2 4.41Å; W155-L157 HydrophobicContact CZ3-CG 4.3Å; L157-T159 HydrophobicContact CD2-CG2 4.07Å; L157-T159 HydrophobicContact CG-CG2 4.28Å; L157-F284 HydrophobicContact CD1-CZ 3.76Å; L157-F284 HydrophobicContact CD2-CE1 4.14Å; L157-F284 HydrophobicContact CD2-CZ 3.59Å; L157-F284 HydrophobicContact CG-CZ 4.26Å; L157-L315 HydrophobicContact CD2-CD2 4.15Å; L157-L322 HydrophobicContact CD2-CD2 3.88Å
158Y98.6Very high91.9Very high0 Ų047.7 Ų47.70%026%0.261CS..EExtended strand (participates in β ladder)trans-111.9132.7159179.3-85000108.6F109 Y110 V132 L135 D136 F139 G142 A143 L160F109-Y158 WeakPolarHBondContact CA-O 3.22Å; Y110-Y158 PolarHBondContact N-O 2.76Å; Y110-Y158 PolarHBondContact O-N 3.05Å; V132-Y158 HydrophobicContact CB-CD2 4.35Å; V132-Y158 HydrophobicContact CG1-CD2 4.1Å; V132-Y158 HydrophobicContact CG1-CE2 4.1Å; V132-Y158 HydrophobicContact CG2-CD2 4.11Å; L135-Y158 HydrophobicContact CB-CD1 4.04Å; L135-Y158 HydrophobicContact CB-CD2 4.13Å; L135-Y158 HydrophobicContact CB-CE1 3.62Å; L135-Y158 HydrophobicContact CB-CE2 3.71Å; L135-Y158 HydrophobicContact CB-CG 4.24Å; L135-Y158 VanDerWaalsContact CB-CZ 3.41Å; L135-Y158 HydrophobicContact CD1-CD1 3.61Å; L135-Y158 HydrophobicContact CD1-CD2 3.99Å; L135-Y158 HydrophobicContact CD1-CE1 4.12Å; L135-Y158 HydrophobicContact CD1-CE2 4.43Å; L135-Y158 HydrophobicContact CD1-CG 3.51Å; L135-Y158 HydrophobicContact CD2-CE1 4.45Å; L135-Y158 HydrophobicContact CG-CD1 4.27Å; L135-Y158 HydrophobicContact CG-CE1 4.28Å; L135-Y158 HydrophobicContact CG-CG 4.46Å; D136-Y158 PolarHBondContact N-OH 3.33Å; D136-Y158 WeakPolarHBondContact OD1-CE2 3.38Å; D136-Y158 PolarHBondContact OD1-OH 3.24Å; F139-Y158 HydrophobicContact CD2-CE1 4.27Å; G142-Y158 VanDerWaalsContact CA-CZ 3.45Å; G142-Y158 WeakPolarHBondContact CA-OH 2.95Å; A143-Y158 WeakPolarHBondContact O-CA 3.01Å; Y158-L160 HydrophobicContact CE1-CD2 4.28Å
159T97.8Very high91.2Very high2 Ų252.6 Ų52.61%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-150.7166.6173.1-170.30000111.3N107 V108 F109 A143 Y145 L157 L317N107-T159 PolarHBondContact OD1-OG1 2.82Å; V108-T159 WeakPolarHBondContact O-CA 3.36Å; V108-T159 VanDerWaalsContact O-CB 3.26Å; V108-T159 WeakPolarHBondContact O-CB 3.42Å; V108-T159 PolarHBondContact O-OG1 3.09Å; F109-T159 WeakPolarHBondContact CD1-OG1 3.35Å; F109-T159 WeakPolarHBondContact CE1-OG1 3.2Å; A143-T159 PolarHBondContact N-O 2.98Å; A143-T159 PolarHBondContact O-N 3.04Å; Y145-T159 HydrophobicContact CE2-CG2 4.07Å; L157-T159 HydrophobicContact CD2-CG2 4.07Å; L157-T159 HydrophobicContact CG-CG2 4.28Å; T159-L317 HydrophobicContact CG2-CD1 4.09Å
160L96.8Very high90.8Very high6 Ų652.9 Ų52.93%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-80128.6174.9-50.5-170.9000109.4V105 N107 V108 F139 Y158 P162 A163 N164V105-L160 HydrophobicContact CG1-CD1 4.36Å; N107-L160 WeakPolarHBondContact OD1-CB 3.28Å; N107-L160 PolarHBondContact OD1-N 3Å; V108-L160 HydrophobicContact CB-CD2 4.48Å; V108-L160 HydrophobicContact CB-CG 4.35Å; V108-L160 HydrophobicContact CG2-CD1 4.44Å; V108-L160 HydrophobicContact CG2-CG 4.44Å; F139-L160 HydrophobicContact CB-CD2 3.71Å; F139-L160 HydrophobicContact CG-CD2 4.21Å; Y158-L160 HydrophobicContact CE1-CD2 4.28Å; L160-P162 CarbonylContact C-O 3.51Å; L160-P162 CarbonylContact O-C 3.54Å; L160-A163 PolarHBondContact O-N 3.28Å; L160-N164 WeakPolarHBondContact CD1-ND2 3.1Å
161N93.9Very high91Very high54 Ų5446.9 Ų46.929%0.28927%0.267SS..SBendtrans-138103.2178.5-171.35.4000111.4N141 A143 Y145 P318N141-N161 PolarHBondContact O-N 2.97Å; A143-N161 HydrophobicContact CB-CB 3.96Å; Y145-N161 PolarHBondContact OH-ND2 3.35Å; N161-P318 VanDerWaalsContact OD1-CD 3.25Å; N161-P318 WeakPolarHBondContact OD1-CD 3.26Å; N161-P318 WeakPolarHBondContact OD1-CG 3.43Å
162P91.4Very high91.3Very high74 Ų7441.3 Ų41.348%0.48124%0.237SC..SBendcis-72159.93.232-36.2000112.7L160L160-P162 CarbonylContact C-O 3.51Å; L160-P162 CarbonylContact O-C 3.54Å
163A91.1Very high91.7Very high19 Ų1938.1 Ų38.116%0.15722%0.223CC..  trans-64.1148.6164.700000110N107 L160 I167N107-A163 HydrophobicContact CB-CB 4.39Å; L160-A163 PolarHBondContact O-N 3.28Å; A163-I167 HydrophobicContact CB-CD1 4.38Å
164N89.3Confident92Very high94 Ų9437.3 Ų37.350%0.50322%0.219SC..SBendtrans-86.3-18.2-177.8-64.2-31.4000113.1V105 A106 L160V105-N164 WeakPolarHBondContact O-CB 3.2Å; V105-N164 PolarHBondContact O-ND2 2.7Å; V105-N164 VanDerWaalsContact O-ND2 3.15Å; A106-N164 PolarHBondContact O-N 3.45Å; L160-N164 WeakPolarHBondContact CD1-ND2 3.1Å
165G87.1Confident92.2Very high19 Ų1934.6 Ų34.620%0.19621%0.209CC..SBendtrans-128.7176.9-175.200000114.1A106A106-G165 PolarHBondContact O-N 3.48Å
166P85Confident92.2Very high90 Ų9034.5 Ų34.558%0.58421%0.208SC*.  trans-64.3155175.630.3-34.8000110.7
167I83.3Confident92.2Very high34 Ų3433.6 Ų33.617%0.17421%0.205CC..  trans-108.6131.3173.8-54.1-151.5000108.2W19 A163 D171 N286 N319 H320W19-I167 HydrophobicContact CH2-CG2 4.1Å; W19-I167 HydrophobicContact CZ3-CB 4.39Å; W19-I167 HydrophobicContact CZ3-CG1 4.48Å; W19-I167 HydrophobicContact CZ3-CG2 3.96Å; A163-I167 HydrophobicContact CB-CD1 4.38Å; I167-D171 HydrophobicContact CG2-CB 4.19Å; I167-N286 WeakPolarHBondContact CG2-ND2 3.14Å; I167-N319 HydrophobicContact CD1-CB 3.2Å; I167-N319 WeakPolarHBondContact CD1-ND2 3.3Å; I167-N319 HydrophobicContact CG1-CB 3.93Å; I167-H320 WeakPolarHBondContact CD1-CE1 3.42Å; I167-H320 WeakPolarHBondContact CD1-ND1 3.46Å; I167-H320 VanDerWaalsContact CG2-CE1 3.42Å; I167-H320 WeakPolarHBondContact CG2-CE1 3.41Å
168P86.5Confident92.2Very high60 Ų6033.5 Ų33.539%0.3921%0.205SC..  trans-54.8144.5179.3-2634000112.3W19 N170 D171 N286W19-P168 HydrophobicContact CH2-CG 4.16Å; W19-P168 HydrophobicContact CZ3-CG 4.03Å; P168-N170 PolarHBondContact O-N 3.2Å; P168-D171 HydrophobicContact CB-CB 4.39Å; P168-D171 PolarHBondContact O-N 3.26Å; P168-N286 PolarHBondContact O-ND2 2.88Å
169P81.5Confident92.2Very high114 Ų11433.7 Ų33.774%0.7421%0.206SC*.THydrogen-bonded Turntrans-66.7121.8171.328.6-32.1000108.9
170N83.5Confident92.1Very high95 Ų9535.3 Ų35.351%0.50821%0.214SC..THydrogen-bonded Turntrans75.529.1-179.3-36.7-57.4000115.3P168 Q172 N286P168-N170 PolarHBondContact O-N 3.2Å; N170-Q172 PolarHBondContact O-N 2.93Å; N170-N286 VanDerWaalsContact C-OD1 3.27Å; N170-N286 WeakPolarHBondContact CA-OD1 3.2Å; N170-N286 PolarHBondContact N-OD1 3.22Å
171D91.5Very high92.2Very high13 Ų1335.7 Ų35.77%0.0722%0.216CC..  trans-61.9123.7164.9-177.254.8000111.1W19 I167 P168 N286 H320W19-D171 HydrophobicContact CH2-CB 4.13Å; W19-D171 VanDerWaalsContact CH2-CG 3.45Å; W19-D171 VanDerWaalsContact CH2-OD2 3.27Å; W19-D171 WeakPolarHBondContact CH2-OD2 3.17Å; I167-D171 HydrophobicContact CG2-CB 4.19Å; P168-D171 HydrophobicContact CB-CB 4.39Å; P168-D171 PolarHBondContact O-N 3.26Å; D171-N286 PolarHBondContact N-OD1 2.97Å; D171-N286 PolarHBondContact O-N 2.81Å; D171-N286 PolarHBondContact O-OD1 3.41Å; D171-H320 IonicContact OD2-CD2 3.9Å; D171-H320 IonicContact OD2-CE1 3.79Å; D171-H320 IonicContact OD2-NE2 2.7Å; D171-H320 PolarHBondContact OD2-NE2 2.77Å
172Q94Very high92.3Very high8 Ų835 Ų354%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-154.2142179.462.7-171.8-38.700110.8N170 N257 H259 V262 F284 V285N170-Q172 PolarHBondContact O-N 2.93Å; Q172-N257 VanDerWaalsContact O-CA 3.25Å; Q172-N257 WeakPolarHBondContact O-CA 3.45Å; Q172-N257 WeakPolarHBondContact O-CB 3.21Å; Q172-H259 PolarHBondContact NE2-CD2 2.91Å; Q172-V262 HydrophobicContact CB-CG1 4.3Å; Q172-V262 HydrophobicContact CB-CG2 4.47Å; Q172-V262 HydrophobicContact CG-CB 4.29Å; Q172-V262 HydrophobicContact CG-CG1 4.5Å; Q172-V262 HydrophobicContact CG-CG2 3.96Å; Q172-F284 CarbonylContact C-O 3.48Å; Q172-F284 WeakPolarHBondContact CA-O 3.29Å; Q172-V285 HydrophobicContact CB-CG1 4.1Å
173T96.4Very high92.6Very high13 Ų1334.2 Ų34.28%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-142.1132.2173.6-59.70000108.5E255 T256 A283 F284T173-E255 HydrophobicContact CG2-CG 3.75Å; T173-T256 WeakPolarHBondContact CA-O 3.49Å; T173-A283 CarbonylContact O-C 3.45Å; T173-A283 VanDerWaalsContact O-CA 3.28Å; T173-A283 WeakPolarHBondContact O-CA 3.47Å; T173-F284 PolarHBondContact N-O 3.49Å; T173-F284 PolarHBondContact O-N 3.02Å
174M96.7Very high92.9Very high0 Ų039.2 Ų39.20%024%0.236CC..EExtended strand (participates in β ladder)trans-110.9129.7172.1-177.6-179.268.100109.2I176 F254 E255 T256 T261 V262 Q266 F281 T282M174-I176 HydrophobicContact CE-CD1 4.14Å; M174-I176 HydrophobicContact CG-CG1 4.45Å; M174-I176 HydrophobicContact SD-CD1 4.41Å; M174-F254 HydrophobicContact CE-CD1 4.3Å; M174-F254 HydrophobicContact CE-CE1 3.71Å; M174-E255 CarbonylContact O-C 3.6Å; M174-E255 VanDerWaalsContact O-CA 3.26Å; M174-E255 WeakPolarHBondContact O-CA 3.39Å; M174-T256 HydrophobicContact CB-CG2 4.4Å; M174-T256 HydrophobicContact CE-CG2 3.79Å; M174-T256 PolarHBondContact N-O 3.32Å; M174-T256 PolarHBondContact O-N 3Å; M174-T261 WeakPolarHBondContact CE-O 3.26Å; M174-V262 HydrophobicContact CB-CB 4.17Å; M174-V262 HydrophobicContact CB-CG1 3.93Å; M174-V262 HydrophobicContact CB-CG2 3.83Å; M174-Q266 HydrophobicContact CE-CB 3.94Å; M174-Q266 HydrophobicContact CE-CG 3.58Å; M174-F281 HydrophobicContact CG-CD2 4.13Å; M174-F281 HydrophobicContact CG-CE2 3.52Å; M174-F281 HydrophobicContact CG-CZ 4.38Å; M174-F281 HydrophobicContact SD-CD2 4.42Å; M174-F281 HydrophobicContact SD-CE2 3.64Å; M174-T282 WeakPolarHBondContact CA-O 3.43Å
175E97.9Very high93.3Very high7 Ų735.3 Ų35.33%0.03322%0.216CC..EExtended strand (participates in β ladder)trans-124.7136.8173.8-175.8-172-13800110.1K78 W155 L177 F254 E255 T282K78-E175 IonicContact NZ-OE1 2.6Å; W155-E175 PolarHBondContact NE1-OE2 2.76Å; E175-L177 HydrophobicContact CG-CD2 3.57Å; E175-L177 HydrophobicContact CG-CG 3.89Å; E175-L177 WeakPolarHBondContact OE1-CD2 3.27Å; E175-F254 CarbonylContact C-O 3.51Å; E175-F254 WeakPolarHBondContact CA-O 3.47Å; E175-E255 HydrophobicContact CB-CG 4.47Å; E175-T282 WeakPolarHBondContact CB-OG1 3.34Å; E175-T282 PolarHBondContact N-O 2.8Å; E175-T282 PolarHBondContact O-N 2.84Å
176I98.4Very high93.8Very high0 Ų034.8 Ų34.80%021%0.208CC..EExtended strand (participates in β ladder)trans-127.4113.2177.2-48.7168.8000107.7M174 M178 F254 L267 V270 F279 I280 F281M174-I176 HydrophobicContact CE-CD1 4.14Å; M174-I176 HydrophobicContact CG-CG1 4.45Å; M174-I176 HydrophobicContact SD-CD1 4.41Å; I176-M178 HydrophobicContact CG2-CE 4.29Å; I176-M178 HydrophobicContact CG2-CG 3.75Å; I176-M178 HydrophobicContact CG2-SD 4.09Å; I176-F254 HydrophobicContact CB-CB 4.35Å; I176-F254 HydrophobicContact CD1-CD1 4.1Å; I176-F254 HydrophobicContact CG1-CD1 4.45Å; I176-F254 PolarHBondContact N-O 2.76Å; I176-F254 PolarHBondContact O-N 3.46Å; I176-L267 HydrophobicContact CD1-CB 4.37Å; I176-L267 HydrophobicContact CD1-CD1 3.69Å; I176-L267 HydrophobicContact CG1-CD1 3.98Å; I176-L267 HydrophobicContact CG2-CD1 4.06Å; I176-V270 HydrophobicContact CD1-CB 3.77Å; I176-V270 HydrophobicContact CD1-CG1 3.87Å; I176-V270 HydrophobicContact CD1-CG2 3.97Å; I176-F279 HydrophobicContact CG2-CD2 4.19Å; I176-I280 CarbonylContact C-O 3.58Å; I176-I280 WeakPolarHBondContact CA-O 3.36Å; I176-F281 HydrophobicContact CG1-CD2 4.24Å
177L98.3Very high94.4Very high2 Ų232.9 Ų32.91%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-109.3111.6-176.5-58.1-175.8000109.4K113 E175 Y251 F279 I280K113-L177 HydrophobicContact CB-CD1 3.81Å; E175-L177 HydrophobicContact CG-CD2 3.57Å; E175-L177 HydrophobicContact CG-CG 3.89Å; E175-L177 WeakPolarHBondContact OE1-CD2 3.27Å; L177-Y251 WeakPolarHBondContact CB-OH 3.5Å; L177-Y251 WeakPolarHBondContact CD2-OH 3.15Å; L177-F279 CarbonylContact O-C 3.55Å; L177-F279 WeakPolarHBondContact O-CA 3.31Å; L177-F279 WeakPolarHBondContact O-CB 3.42Å; L177-I280 HydrophobicContact CB-CB 4.31Å; L177-I280 PolarHBondContact N-O 2.93Å; L177-I280 PolarHBondContact O-N 2.95Å
178M98.3Very high95.1Very high0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-117.1138.2-166.4-60.7174.4-86.100110.6I176 L181 Y251 V252 F254 V270 F274 P276 F279I176-M178 HydrophobicContact CG2-CE 4.29Å; I176-M178 HydrophobicContact CG2-CG 3.75Å; I176-M178 HydrophobicContact CG2-SD 4.09Å; M178-L181 HydrophobicContact CB-CD1 3.62Å; M178-Y251 WeakPolarHBondContact O-CA 3.46Å; M178-Y251 WeakPolarHBondContact O-CD2 3.34Å; M178-V252 HydrophobicContact CB-CB 4.39Å; M178-V252 HydrophobicContact CE-CB 3.84Å; M178-V252 HydrophobicContact CE-CG1 3.47Å; M178-V252 VanDerWaalsContact CE-CG1 3.47Å; M178-V252 PolarHBondContact N-O 3.24Å; M178-V252 PolarHBondContact O-N 2.7Å; M178-F254 HydrophobicContact CE-CB 4.2Å; M178-V270 HydrophobicContact CE-CG1 3.51Å; M178-V270 HydrophobicContact SD-CG1 3.9Å; M178-F274 HydrophobicContact CE-CD2 3.64Å; M178-F274 HydrophobicContact CE-CE2 4.17Å; M178-F274 HydrophobicContact CE-CG 4.29Å; M178-F274 HydrophobicContact SD-CB 3.93Å; M178-F274 HydrophobicContact SD-CD2 3.96Å; M178-F274 HydrophobicContact SD-CG 4.29Å; M178-P276 HydrophobicContact CB-CB 3.97Å; M178-P276 HydrophobicContact CB-CG 4.11Å; M178-P276 HydrophobicContact CG-CB 4.43Å; M178-P276 HydrophobicContact CG-CG 4.02Å; M178-P276 HydrophobicContact SD-CG 4.18Å; M178-F279 HydrophobicContact CB-CB 4.25Å; M178-F279 HydrophobicContact CG-CB 3.73Å
179S97.5Very high95.6Very high4 Ų429.1 Ų29.13%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-132.2154.2-179.3-51.50000112K277 R278S179-K277 PolarHBondContact O-N 2.85Å; S179-R278 PolarHBondContact N-O 2.74Å; S179-R278 PolarHBondContact O-N 2.72Å
180D96.8Very high96.3Very high35 Ų3524.6 Ų24.619%0.18715%0.147CC..SBendtrans53.263.9-177.1-56.8-31.6000111.3S250 K277 R278D180-S250 PolarHBondContact N-O 3.27Å; D180-S250 VanDerWaalsContact N-O 3.13Å; D180-K277 HydrophobicContact CB-CB 3.88Å; D180-K277 HydrophobicContact CB-CD 3.75Å; D180-K277 HydrophobicContact CB-CG 3.86Å; D180-K277 WeakPolarHBondContact O-CG 3.36Å; D180-K277 PolarHBondContact O-N 3.13Å; D180-R278 IonicContact OD2-CZ 2.75Å; D180-R278 IonicContact OD2-NH1 3.39Å; D180-R278 PolarHBondContact OD2-NH1 2.89Å; D180-R278 IonicContact OD2-NH2 2.93Å
181L97.9Very high96.9Very high15 Ų1523.9 Ų23.98%0.07914%0.137CC..  trans-74.6165.4-174.1-60.5-30.5000112.8M178 A183 M186 S250 Y251 V252 F274 P276M178-L181 HydrophobicContact CB-CD1 3.62Å; L181-A183 PolarHBondContact O-N 3.09Å; L181-M186 HydrophobicContact CB-CE 3.89Å; L181-M186 HydrophobicContact CB-CG 3.57Å; L181-M186 HydrophobicContact CB-SD 3.65Å; L181-M186 HydrophobicContact CD2-SD 3.94Å; L181-M186 HydrophobicContact CG-CE 4.11Å; L181-M186 HydrophobicContact CG-CG 4.46Å; L181-M186 HydrophobicContact CG-SD 3.89Å; L181-S250 WeakPolarHBondContact CD2-O 3.22Å; L181-S250 PolarHBondContact N-OG 3.4Å; L181-Y251 VanDerWaalsContact CD2-CA 3.5Å; L181-Y251 VanDerWaalsContact CD2-N 3.26Å; L181-V252 HydrophobicContact CD2-CB 4.43Å; L181-V252 HydrophobicContact CD2-CG2 3.81Å; L181-V252 HydrophobicContact CG-CG2 3.86Å; L181-F274 HydrophobicContact CD1-CB 4.43Å; L181-P276 HydrophobicContact CD1-CB 3.58Å; L181-P276 HydrophobicContact CD1-CG 4.48Å
182D97.1Very high97Very high40 Ų4030.1 Ų30.121%0.21417%0.171CC..  trans-62.7125174-178.487.4000111.7N184 T185 M186 F274 K275D182-N184 VanDerWaalsContact C-N 3.28Å; D182-N184 PolarHBondContact O-N 3.36Å; D182-N184 WeakPolarHBondContact OD2-CB 3.46Å; D182-N184 PolarHBondContact OD2-N 2.82Å; D182-T185 PolarHBondContact O-N 3.26Å; D182-T185 PolarHBondContact OD2-N 3.35Å; D182-T185 VanDerWaalsContact OD2-N 3.15Å; D182-M186 WeakPolarHBondContact O-CG 3.18Å; D182-M186 PolarHBondContact O-N 3.37Å; D182-F274 PolarHBondContact N-O 2.71Å; D182-K275 HydrophobicContact CB-CB 3.92Å; D182-K275 HydrophobicContact CB-CD 4.29Å
183A96.7Very high97.1Very high56 Ų5632.7 Ų32.746%0.46319%0.187SC..Hα-helixtrans-63.4-33.5-173.100000112.8L181 M186 S187L181-A183 PolarHBondContact O-N 3.09Å; A183-M186 PolarHBondContact O-N 3.19Å; A183-S187 WeakPolarHBondContact O-CB 3.42Å; A183-S187 PolarHBondContact O-N 3.22Å
184N96.5Very high97.2Very high124 Ų12432.1 Ų32.166%0.66318%0.183SC*.Hα-helixtrans-68.1-46.1178.5-60.9-35.5000109.8D182 M186 S187D182-N184 VanDerWaalsContact C-N 3.28Å; D182-N184 PolarHBondContact O-N 3.36Å; D182-N184 WeakPolarHBondContact OD2-CB 3.46Å; D182-N184 PolarHBondContact OD2-N 2.82Å; N184-M186 VanDerWaalsContact C-N 3.35Å; N184-M186 PolarHBondContact O-N 3.07Å; N184-S187 PolarHBondContact O-N 3.04Å; N184-S187 PolarHBondContact O-OG 3.07Å
185T97.5Very high97.1Very high13 Ų1337 Ų378%0.0822%0.217CC..Hα-helixtrans-60.7-43.6174.5-57.10000111.5D182 S187 C188 F189 C273 F274D182-T185 PolarHBondContact O-N 3.26Å; D182-T185 PolarHBondContact OD2-N 3.35Å; D182-T185 VanDerWaalsContact OD2-N 3.15Å; T185-S187 PolarHBondContact O-N 3.29Å; T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 3.34Å; T185-F189 HydrophobicContact CG2-CE2 4.43Å; T185-F189 WeakPolarHBondContact O-CD2 2.98Å; T185-F189 WeakPolarHBondContact O-CE2 3.39Å; T185-C273 WeakPolarHBondContact CG2-O 3.42Å; T185-C273 PolarHBondContact OG1-O 2.98Å; T185-F274 HydrophobicContact CG2-CD1 3.93Å; T185-F274 HydrophobicContact CG2-CE1 4.38Å
186M97.9Very high97.1Very high7 Ų739.1 Ų39.13%0.03423%0.232CC..Hα-helixtrans-66.3-34.8-179-67.2-59.293.900113.4L181 D182 A183 N184 C188 F189 I243 P245 V252 F274L181-M186 HydrophobicContact CB-CE 3.89Å; L181-M186 HydrophobicContact CB-CG 3.57Å; L181-M186 HydrophobicContact CB-SD 3.65Å; L181-M186 HydrophobicContact CD2-SD 3.94Å; L181-M186 HydrophobicContact CG-CE 4.11Å; L181-M186 HydrophobicContact CG-CG 4.46Å; L181-M186 HydrophobicContact CG-SD 3.89Å; D182-M186 WeakPolarHBondContact O-CG 3.18Å; D182-M186 PolarHBondContact O-N 3.37Å; A183-M186 PolarHBondContact O-N 3.19Å; N184-M186 VanDerWaalsContact C-N 3.35Å; N184-M186 PolarHBondContact O-N 3.07Å; M186-C188 PolarHBondContact O-N 3.34Å; M186-C188 VanDerWaalsContact O-N 3.15Å; M186-F189 HydrophobicContact CE-CD2 4.37Å; M186-F189 HydrophobicContact CE-CE2 4.19Å; M186-F189 PolarHBondContact O-N 2.7Å; M186-I243 HydrophobicContact CE-CG2 4.28Å; M186-I243 HydrophobicContact SD-CG2 3.98Å; M186-P245 HydrophobicContact CB-CB 4.08Å; M186-P245 WeakPolarHBondContact O-CB 3.36Å; M186-P245 HydrophobicContact SD-CB 4.48Å; M186-V252 HydrophobicContact CE-CG2 3.95Å; M186-V252 HydrophobicContact SD-CG2 4.1Å; M186-F274 HydrophobicContact CE-CD1 3.57Å; M186-F274 HydrophobicContact CE-CE1 4.04Å
187S97.3Very high97Very high51 Ų5139.6 Ų39.636%0.35724%0.236SC..Hα-helixtrans-60.1-25.2177.969.90000113.5A183 N184 T185 F189 A190 V193A183-S187 WeakPolarHBondContact O-CB 3.42Å; A183-S187 PolarHBondContact O-N 3.22Å; N184-S187 PolarHBondContact O-N 3.04Å; N184-S187 PolarHBondContact O-OG 3.07Å; T185-S187 PolarHBondContact O-N 3.29Å; S187-F189 PolarHBondContact O-N 3.11Å; S187-F189 VanDerWaalsContact O-N 3.1Å; S187-A190 PolarHBondContact O-N 3.06Å; S187-V193 VanDerWaalsContact O-CB 3.22Å; S187-V193 WeakPolarHBondContact O-CB 3.46Å; S187-V193 VanDerWaalsContact O-CG2 3.3Å; S187-V193 WeakPolarHBondContact O-CG2 3.4Å
188C98.1Very high97Very high15 Ų1541.7 Ų41.710%0.10125%0.251CS..THydrogen-bonded Turntrans-61.3-19.6175.9-60.40000113.2T185 M186 S194 A200 L203T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 3.34Å; M186-C188 PolarHBondContact O-N 3.34Å; M186-C188 VanDerWaalsContact O-N 3.15Å; C188-S194 WeakPolarHBondContact O-CB 3.27Å; C188-S194 PolarHBondContact O-OG 2.9Å; C188-A200 WeakPolarHBondContact O-CB 3.07Å; C188-L203 HydrophobicContact CB-CB 4.28Å
189F97.9Very high96.9Very high0 Ų045 Ų450%027%0.267CS..THydrogen-bonded Turntrans-101.819.9-177-54.8-79.2000113.2T185 M186 S187 A200 S204 L206 L220 C224 G225 Y226 I243 P245 F274T185-F189 HydrophobicContact CG2-CE2 4.43Å; T185-F189 WeakPolarHBondContact O-CD2 2.98Å; T185-F189 WeakPolarHBondContact O-CE2 3.39Å; M186-F189 HydrophobicContact CE-CD2 4.37Å; M186-F189 HydrophobicContact CE-CE2 4.19Å; M186-F189 PolarHBondContact O-N 2.7Å; S187-F189 PolarHBondContact O-N 3.11Å; S187-F189 VanDerWaalsContact O-N 3.1Å; F189-A200 HydrophobicContact CD1-CB 3.83Å; F189-A200 HydrophobicContact CE1-CB 4.14Å; F189-S204 VanDerWaalsContact CZ-CB 3.41Å; F189-S204 VanDerWaalsContact CZ-OG 3.27Å; F189-S204 WeakPolarHBondContact CZ-OG 3.26Å; F189-L206 HydrophobicContact CE1-CD2 4.2Å; F189-L206 HydrophobicContact CZ-CD2 4.19Å; F189-L220 HydrophobicContact CB-CD1 4.45Å; F189-L220 WeakPolarHBondContact O-CD1 3.42Å; F189-C224 WeakPolarHBondContact O-CA 3.25Å; F189-C224 WeakPolarHBondContact O-CB 3.11Å; F189-G225 PolarHBondContact O-N 3.01Å; F189-G225 VanDerWaalsContact O-N 3.07Å; F189-Y226 VanDerWaalsContact CD1-CB 3.44Å; F189-Y226 HydrophobicContact CD1-CD1 4.29Å; F189-Y226 AromaticContact CD1-CD2 3.86Å; F189-Y226 HydrophobicContact CD1-CD2 3.86Å; F189-Y226 AromaticContact CD1-CG 3.63Å; F189-Y226 HydrophobicContact CD1-CG 3.63Å; F189-Y226 HydrophobicContact CE1-CD1 4.1Å; F189-Y226 HydrophobicContact CE1-CD2 4.05Å; F189-Y226 HydrophobicContact CE1-CE2 4.48Å; F189-Y226 AromaticContact CE1-CG 3.85Å; F189-Y226 HydrophobicContact CE1-CG 3.85Å; F189-I243 HydrophobicContact CB-CG2 4.35Å; F189-I243 HydrophobicContact CD1-CD1 3.9Å; F189-I243 HydrophobicContact CD2-CD1 4.11Å; F189-I243 HydrophobicContact CD2-CG2 3.84Å; F189-I243 HydrophobicContact CE1-CD1 3.4Å; F189-I243 VanDerWaalsContact CE1-CD1 3.4Å; F189-I243 HydrophobicContact CE2-CD1 3.65Å; F189-I243 HydrophobicContact CE2-CG2 4.28Å; F189-I243 HydrophobicContact CG-CD1 4.21Å; F189-I243 HydrophobicContact CG-CG2 4.01Å; F189-I243 HydrophobicContact CZ-CD1 3.25Å; F189-P245 HydrophobicContact CB-CB 4.23Å; F189-P245 HydrophobicContact CB-CG 4.29Å; F189-F274 HydrophobicContact CE2-CE1 4.36Å; F189-F274 HydrophobicContact CZ-CE1 4.44Å
190A96.7Very high97Very high18 Ų1844.9 Ų44.915%0.14927%0.265CS..BIsolated β-bridgetrans-104.9144170.500000110.7S187 D192 V193 S194 C224S187-A190 PolarHBondContact O-N 3.06Å; A190-D192 WeakPolarHBondContact CB-OD1 3.2Å; A190-D192 PolarHBondContact O-N 3.11Å; A190-V193 PolarHBondContact O-N 2.93Å; A190-S194 PolarHBondContact O-N 3.26Å; A190-C224 HydrophobicContact CB-CB 4.15Å
191R94.7Very high97Very high80 Ų8044 Ų4430%0.30226%0.259SS..THydrogen-bonded Turntrans-68.4-20.5-174.3-78.4-74.3-161.5165.122.5114.9V193 C195 L220 F221 E222 P223R191-V193 VanDerWaalsContact C-N 3.3Å; R191-C195 PolarHBondContact NH1-O 3.02Å; R191-L220 HydrophobicContact CG-CD2 4.42Å; R191-L220 HydrophobicContact CG-CG 4.45Å; R191-L220 PolarHBondContact NH2-O 3.24Å; R191-F221 WeakPolarHBondContact CG-O 3.4Å; R191-E222 HydrophobicContact CG-CG 3.84Å; R191-E222 IonicContact CZ-OE1 2.7Å; R191-E222 IonicContact NE-OE1 3.44Å; R191-E222 IonicContact NH2-OE1 3.47Å; R191-E222 PolarHBondContact NH2-OE1 3.32Å; R191-P223 WeakPolarHBondContact CB-O 3.28Å; R191-P223 WeakPolarHBondContact CG-O 3.35Å; R191-P223 PolarHBondContact N-O 3.03Å; R191-P223 VanDerWaalsContact N-O 3.16Å
192D94.7Very high97Very high144 Ų14449.4 Ų49.477%0.7728%0.282SS*.THydrogen-bonded Turntrans-77.7-16.2172.761.2-21.6000113A190A190-D192 WeakPolarHBondContact CB-OD1 3.2Å; A190-D192 PolarHBondContact O-N 3.11Å
193V96.8Very high97Very high63 Ų6352.2 Ų52.238%0.38230%0.297SS..THydrogen-bonded Turntrans-104-40.1177.2178.90000112.2S187 A190 R191S187-V193 VanDerWaalsContact O-CB 3.22Å; S187-V193 WeakPolarHBondContact O-CB 3.46Å; S187-V193 VanDerWaalsContact O-CG2 3.3Å; S187-V193 WeakPolarHBondContact O-CG2 3.4Å; A190-V193 PolarHBondContact O-N 2.93Å; R191-V193 VanDerWaalsContact C-N 3.3Å
194S96.9Very high97Very high0 Ų050.1 Ų50.10%028%0.279CS..  trans-123129.6179.3-69.70000111.7C188 A190 S196 A200 L220C188-S194 WeakPolarHBondContact O-CB 3.27Å; C188-S194 PolarHBondContact O-OG 2.9Å; A190-S194 PolarHBondContact O-N 3.26Å; S194-S196 VanDerWaalsContact C-N 3.34Å; S194-A200 WeakPolarHBondContact OG-CA 3.32Å; S194-A200 PolarHBondContact OG-N 3.44Å; S194-L220 WeakPolarHBondContact O-CD2 3.37Å
195C94.9Very high97Very high104 Ų10444.9 Ų44.970%0.70325%0.254SS*.SBendtrans-79.1-21.2178.6-66.90000112.1R191 E199R191-C195 PolarHBondContact NH1-O 3.02Å; C195-E199 WeakPolarHBondContact CB-OE2 3.49Å; C195-E199 PolarHBondContact N-OE2 2.89Å
196S97.4Very high97Very high50 Ų5044.3 Ų44.335%0.3525%0.25SS..SBendtrans-144.7161.2-177.269.30000112.9S194 E199 A200S194-S196 VanDerWaalsContact C-N 3.34Å; S196-E199 PolarHBondContact O-N 3.47Å; S196-E199 WeakPolarHBondContact OG-CB 3.33Å; S196-E199 PolarHBondContact OG-N 2.79Å; S196-A200 PolarHBondContact O-N 3.24Å
197A97.7Very high96.8Very high11 Ų1146.9 Ų46.99%0.09127%0.265CS..Hα-helixtrans-63.7-40.7177.300000112E199 A200 R201 D218 L220 Y226A197-E199 VanDerWaalsContact C-N 3.33Å; A197-E199 PolarHBondContact O-N 2.82Å; A197-A200 PolarHBondContact O-N 2.9Å; A197-R201 WeakPolarHBondContact O-CB 3.14Å; A197-R201 PolarHBondContact O-N 2.83Å; A197-D218 WeakPolarHBondContact CA-OD2 3.42Å; A197-D218 HydrophobicContact CB-CB 4.12Å; A197-D218 WeakPolarHBondContact CB-OD2 3.07Å; A197-L220 HydrophobicContact CB-CB 3.88Å; A197-Y226 HydrophobicContact CB-CD2 4.3Å; A197-Y226 HydrophobicContact CB-CE2 3.97Å
198S97.1Very high96.7Very high45 Ų4554.8 Ų54.832%0.31529%0.287SS..Hα-helixtrans-59.5-39.4172.7-174.90000113.2K202 D218S198-K202 WeakPolarHBondContact O-CG 3.44Å; S198-K202 PolarHBondContact O-N 2.95Å; S198-K202 VanDerWaalsContact O-N 3.11Å; S198-D218 PolarHBondContact N-OD2 3.47Å
199E97.9Very high96.6Very high71 Ų7154.9 Ų54.933%0.33229%0.286SS..Hα-helixtrans-67.8-47.2175.6-177.5175.2-155.400111.7C195 S196 A197 R201 K202 L203C195-E199 WeakPolarHBondContact CB-OE2 3.49Å; C195-E199 PolarHBondContact N-OE2 2.89Å; S196-E199 PolarHBondContact O-N 3.47Å; S196-E199 WeakPolarHBondContact OG-CB 3.33Å; S196-E199 PolarHBondContact OG-N 2.79Å; A197-E199 VanDerWaalsContact C-N 3.33Å; A197-E199 PolarHBondContact O-N 2.82Å; E199-R201 VanDerWaalsContact C-N 3.28Å; E199-R201 PolarHBondContact O-N 2.85Å; E199-K202 PolarHBondContact O-N 3.01Å; E199-K202 VanDerWaalsContact O-N 3.11Å; E199-L203 HydrophobicContact CG-CD1 3.84Å; E199-L203 HydrophobicContact CG-CG 4.24Å; E199-L203 WeakPolarHBondContact O-CG 3.26Å; E199-L203 PolarHBondContact O-N 3.43Å
200A98.2Very high96.3Very high0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-56.3-43.3176.400000111.8C188 F189 S194 S196 A197 S204 L220 Y226C188-A200 WeakPolarHBondContact O-CB 3.07Å; F189-A200 HydrophobicContact CD1-CB 3.83Å; F189-A200 HydrophobicContact CE1-CB 4.14Å; S194-A200 WeakPolarHBondContact OG-CA 3.32Å; S194-A200 PolarHBondContact OG-N 3.44Å; S196-A200 PolarHBondContact O-N 3.24Å; A197-A200 PolarHBondContact O-N 2.9Å; A200-S204 WeakPolarHBondContact O-CB 3.28Å; A200-S204 PolarHBondContact O-N 2.89Å; A200-S204 PolarHBondContact O-OG 3.27Å; A200-L220 HydrophobicContact CB-CD1 4.19Å; A200-Y226 HydrophobicContact CB-CD2 4.46Å
201R97.6Very high95.8Very high16 Ų1658.6 Ų58.66%0.0630%0.3CS..Hα-helixtrans-64.3-39177-174.4175.246.7-111.9-4.8112.8A197 E199 S204 G205 L206 D207 D218 Y226A197-R201 WeakPolarHBondContact O-CB 3.14Å; A197-R201 PolarHBondContact O-N 2.83Å; E199-R201 VanDerWaalsContact C-N 3.28Å; E199-R201 PolarHBondContact O-N 2.85Å; R201-S204 PolarHBondContact O-OG 2.72Å; R201-G205 PolarHBondContact O-N 2.93Å; R201-L206 HydrophobicContact CG-CB 3.83Å; R201-L206 HydrophobicContact CG-CD2 4.14Å; R201-L206 HydrophobicContact CG-CG 3.9Å; R201-L206 PolarHBondContact O-N 3.34Å; R201-D207 WeakPolarHBondContact CD-OD1 3.44Å; R201-D207 HydrophobicContact CG-CB 4.23Å; R201-D207 WeakPolarHBondContact CG-OD1 3.49Å; R201-D207 IonicContact CZ-OD1 2.96Å; R201-D207 IonicContact NE-OD1 2.96Å; R201-D207 PolarHBondContact NE-OD1 2.78Å; R201-D207 PolarHBondContact O-N 3.38Å; R201-D218 IonicContact CZ-OD1 3.04Å; R201-D218 IonicContact CZ-OD2 3.86Å; R201-D218 VanDerWaalsContact NH1-CB 3.33Å; R201-D218 IonicContact NH1-OD1 3.64Å; R201-D218 PolarHBondContact NH1-OD1 2.85Å; R201-D218 IonicContact NH1-OD2 3.73Å; R201-D218 PolarHBondContact NH1-OD2 2.95Å; R201-D218 IonicContact NH2-OD1 3.98Å; R201-D218 PolarHBondContact NH2-OD1 2.95Å; R201-D218 IonicContact NH2-OD2 3.91Å; R201-D218 PolarHBondContact NH2-OD2 2.83Å; R201-Y226 HydrophobicContact CB-CE2 4.45Å; R201-Y226 PolarHBondContact NH1-OH 3.31Å
202K96.9Very high95.4Very high129 Ų12961 Ų6156%0.56133%0.329SS*.Hα-helixtrans-68.7-49176.3-76.5172.2-175.1176.60112.2S198 E199 G205 D207S198-K202 WeakPolarHBondContact O-CG 3.44Å; S198-K202 PolarHBondContact O-N 2.95Å; S198-K202 VanDerWaalsContact O-N 3.11Å; E199-K202 PolarHBondContact O-N 3.01Å; E199-K202 VanDerWaalsContact O-N 3.11Å; K202-G205 PolarHBondContact O-N 3.04Å; K202-D207 WeakPolarHBondContact CG-OD2 3.4Å
203L97.4Very high95.2Very high99 Ų9958 Ų5852%0.51831%0.313SS..Hα-helixtrans-65.3-40-175.7-70.8178.5000112.2C188 E199 G205C188-L203 HydrophobicContact CB-CB 4.28Å; E199-L203 HydrophobicContact CG-CD1 3.84Å; E199-L203 HydrophobicContact CG-CG 4.24Å; E199-L203 WeakPolarHBondContact O-CG 3.26Å; E199-L203 PolarHBondContact O-N 3.43Å; L203-G205 PolarHBondContact O-N 3.03Å
204S97.5Very high95.1Very high13 Ų1355.8 Ų55.89%0.09130%0.299CS..Hα-helixtrans-70.9-17.1176.5580000113.7F189 A200 R201 L206F189-S204 VanDerWaalsContact CZ-CB 3.41Å; F189-S204 VanDerWaalsContact CZ-OG 3.27Å; F189-S204 WeakPolarHBondContact CZ-OG 3.26Å; A200-S204 WeakPolarHBondContact O-CB 3.28Å; A200-S204 PolarHBondContact O-N 2.89Å; A200-S204 PolarHBondContact O-OG 3.27Å; R201-S204 PolarHBondContact O-OG 2.72Å; S204-L206 VanDerWaalsContact C-N 3.28Å; S204-L206 VanDerWaalsContact OG-CB 3.29Å; S204-L206 WeakPolarHBondContact OG-CB 3.47Å; S204-L206 PolarHBondContact OG-N 2.94Å
205G96.7Very high95.1Very high14 Ų1457.6 Ų57.614%0.14431%0.308CS..THydrogen-bonded Turntrans823.3-172.400000114.3R201 K202 L203 D207 R208R201-G205 PolarHBondContact O-N 2.93Å; K202-G205 PolarHBondContact O-N 3.04Å; L203-G205 PolarHBondContact O-N 3.03Å; G205-D207 PolarHBondContact O-N 2.83Å; G205-R208 WeakPolarHBondContact O-CB 3.45Å; G205-R208 PolarHBondContact O-N 3.14Å; G205-R208 VanDerWaalsContact O-N 3.07Å
206L96.9Very high95.2Very high0 Ų055 Ų550%029%0.287CS..G310 helixtrans-58.1-33.2-179.2178.257.6000112.6F189 R201 S204 R208 L209 F210 Y226 V241 I243 F274F189-L206 HydrophobicContact CE1-CD2 4.2Å; F189-L206 HydrophobicContact CZ-CD2 4.19Å; R201-L206 HydrophobicContact CG-CB 3.83Å; R201-L206 HydrophobicContact CG-CD2 4.14Å; R201-L206 HydrophobicContact CG-CG 3.9Å; R201-L206 PolarHBondContact O-N 3.34Å; S204-L206 VanDerWaalsContact C-N 3.28Å; S204-L206 VanDerWaalsContact OG-CB 3.29Å; S204-L206 WeakPolarHBondContact OG-CB 3.47Å; S204-L206 PolarHBondContact OG-N 2.94Å; L206-R208 PolarHBondContact O-N 2.79Å; L206-L209 HydrophobicContact CD1-CD1 3.72Å; L206-L209 HydrophobicContact CD1-CG 4.5Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 2.79Å; L206-L209 VanDerWaalsContact O-N 3.07Å; L206-F210 HydrophobicContact CD1-CE2 3.82Å; L206-F210 HydrophobicContact CD1-CZ 3.43Å; L206-F210 VanDerWaalsContact CD1-CZ 3.43Å; L206-F210 HydrophobicContact CG-CE2 3.76Å; L206-F210 HydrophobicContact CG-CZ 3.88Å; L206-F210 WeakPolarHBondContact O-CD2 3.26Å; L206-F210 WeakPolarHBondContact O-CE2 3.19Å; L206-Y226 HydrophobicContact CD2-CD1 4.37Å; L206-Y226 HydrophobicContact CD2-CE1 3.65Å; L206-V241 HydrophobicContact CD1-CG1 4.38Å; L206-V241 HydrophobicContact CD1-CG2 4.37Å; L206-V241 HydrophobicContact CD2-CG1 4.43Å; L206-I243 HydrophobicContact CD2-CD1 4.12Å; L206-F274 HydrophobicContact CD1-CE2 4.24Å; L206-F274 HydrophobicContact CD1-CZ 3.82Å
207D94.1Very high95.3Very high62 Ų6253.7 Ų53.733%0.33228%0.276SS..G310 helixtrans-51.9-29.6174.2-96.9-15.1000113.7R201 K202 G205 L209R201-D207 WeakPolarHBondContact CD-OD1 3.44Å; R201-D207 HydrophobicContact CG-CB 4.23Å; R201-D207 WeakPolarHBondContact CG-OD1 3.49Å; R201-D207 IonicContact CZ-OD1 2.96Å; R201-D207 IonicContact NE-OD1 2.96Å; R201-D207 PolarHBondContact NE-OD1 2.78Å; R201-D207 PolarHBondContact O-N 3.38Å; K202-D207 WeakPolarHBondContact CG-OD2 3.4Å; G205-D207 PolarHBondContact O-N 2.83Å; D207-L209 PolarHBondContact O-N 2.82Å
208R94.7Very high95.3Very high217 Ų21754.8 Ų54.882%0.81928%0.28SS*.G310 helixtrans-78.3-8.6-175.1-57176.6-173.1169.43.8113.2G205 L206 F210G205-R208 WeakPolarHBondContact O-CB 3.45Å; G205-R208 PolarHBondContact O-N 3.14Å; G205-R208 VanDerWaalsContact O-N 3.07Å; L206-R208 PolarHBondContact O-N 2.79Å; R208-F210 VanDerWaalsContact C-N 3.33Å
209L95.4Very high95.3Very high16 Ų1656.5 Ų56.58%0.08428%0.282CS..G310 helixtrans-85.6-7.3-178.2-62.4-176.4000113.3L206 D207 Q266 N269 V270 C273 F274L206-L209 HydrophobicContact CD1-CD1 3.72Å; L206-L209 HydrophobicContact CD1-CG 4.5Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 2.79Å; L206-L209 VanDerWaalsContact O-N 3.07Å; D207-L209 PolarHBondContact O-N 2.82Å; L209-Q266 PolarHBondContact O-NE2 2.94Å; L209-Q266 VanDerWaalsContact O-NE2 3.09Å; L209-N269 HydrophobicContact CD2-CB 3.64Å; L209-V270 HydrophobicContact CD1-CB 4.48Å; L209-V270 HydrophobicContact CD1-CG2 4.04Å; L209-V270 HydrophobicContact CD2-CG2 4.43Å; L209-C273 HydrophobicContact CD1-CB 3.95Å; L209-C273 HydrophobicContact CD2-CB 4.44Å; L209-F274 HydrophobicContact CD1-CE2 4.28Å
210F92.2Very high95.3Very high31 Ų3153.2 Ų53.214%0.13627%0.267CS..SBendtrans-119.6149-167.2-50.7-50.3000112L206 R208 L214 M228 V239 V241 F254L206-F210 HydrophobicContact CD1-CE2 3.82Å; L206-F210 HydrophobicContact CD1-CZ 3.43Å; L206-F210 VanDerWaalsContact CD1-CZ 3.43Å; L206-F210 HydrophobicContact CG-CE2 3.76Å; L206-F210 HydrophobicContact CG-CZ 3.88Å; L206-F210 WeakPolarHBondContact O-CD2 3.26Å; L206-F210 WeakPolarHBondContact O-CE2 3.19Å; R208-F210 VanDerWaalsContact C-N 3.33Å; F210-L214 HydrophobicContact CB-CD1 3.91Å; F210-M228 HydrophobicContact CD1-CE 4.12Å; F210-M228 HydrophobicContact CD2-CE 3.79Å; F210-M228 HydrophobicContact CE1-CE 3.49Å; F210-M228 VanDerWaalsContact CE1-CE 3.49Å; F210-M228 HydrophobicContact CE2-CE 3.1Å; F210-M228 HydrophobicContact CG-CE 4.26Å; F210-M228 HydrophobicContact CZ-CE 2.95Å; F210-V239 HydrophobicContact CD1-CG1 3.88Å; F210-V239 HydrophobicContact CD1-CG2 4.11Å; F210-V239 HydrophobicContact CE1-CG1 4.11Å; F210-V239 HydrophobicContact CE1-CG2 3.72Å; F210-V241 HydrophobicContact CE1-CG2 4.21Å; F210-V241 HydrophobicContact CZ-CG2 3.95Å; F210-F254 AromaticContact CE1-CE2 3.89Å; F210-F254 HydrophobicContact CE1-CE2 3.89Å
211Q87.2Confident95.2Very high65 Ų6555.1 Ų55.130%0.30428%0.275SS..  trans-66.4144.3169.7-61.7176.1-3600109.8D213 L214Q211-D213 VanDerWaalsContact CB-OD1 3.29Å; Q211-D213 WeakPolarHBondContact CB-OD1 3.37Å; Q211-D213 PolarHBondContact O-N 2.48Å; Q211-L214 HydrophobicContact CB-CD1 4.43Å; Q211-L214 HydrophobicContact CB-CG 4.37Å; Q211-L214 PolarHBondContact O-N 3.31Å
212S85.5Confident95Very high132 Ų13261.5 Ų61.592%0.92331%0.305SS*.THydrogen-bonded Turntrans-68.5-16-172.8550000114.8
213D90.3Very high94.8Very high80 Ų8060.5 Ų60.543%0.42831%0.312SS..THydrogen-bonded Turntrans-94.3-5.4-177.265.5-43.5000114Q211Q211-D213 VanDerWaalsContact CB-OD1 3.29Å; Q211-D213 WeakPolarHBondContact CB-OD1 3.37Å; Q211-D213 PolarHBondContact O-N 2.48Å
214L95.1Very high94.7Very high16 Ų1657.1 Ų57.18%0.08430%0.296CS..  trans-62.6134.9175-74.3172.7000111.2F210 Q211 I216 I231 Q232 V239 I258F210-L214 HydrophobicContact CB-CD1 3.91Å; Q211-L214 HydrophobicContact CB-CD1 4.43Å; Q211-L214 HydrophobicContact CB-CG 4.37Å; Q211-L214 PolarHBondContact O-N 3.31Å; L214-I216 HydrophobicContact CB-CD1 3.9Å; L214-I216 HydrophobicContact CB-CG1 4.49Å; L214-I216 PolarHBondContact O-N 2.87Å; L214-I231 VanDerWaalsContact CD2-C 3.44Å; L214-I231 WeakPolarHBondContact CD2-O 3.23Å; L214-Q232 HydrophobicContact CD2-CB 4.43Å; L214-Q232 HydrophobicContact CD2-CG 3.68Å; L214-V239 HydrophobicContact CD1-CG1 3.78Å; L214-I258 HydrophobicContact CD1-CD1 4Å; L214-I258 HydrophobicContact CD2-CD1 3.76Å; L214-I258 HydrophobicContact CG-CD1 4.49Å
215I97.1Very high94.6Very high38 Ų3856.8 Ų56.820%0.19530%0.295CS..EExtended strand (participates in β ladder)trans-83.1111168.5-51.7167.7000106.7T53 G230 I231 R233T53-I215 HydrophobicContact CG2-CB 4.26Å; T53-I215 HydrophobicContact CG2-CG2 3.5Å; T53-I215 VanDerWaalsContact CG2-CG2 3.5Å; I215-G230 WeakPolarHBondContact O-CA 3.42Å; I215-I231 HydrophobicContact CB-CG1 4.03Å; I215-I231 HydrophobicContact CD1-CG1 4.38Å; I215-I231 PolarHBondContact N-O 3.3Å; I215-I231 PolarHBondContact O-N 3.18Å; I215-R233 HydrophobicContact CD1-CG 3.82Å; I215-R233 HydrophobicContact CG1-CG 3.94Å
216I97.5Very high94.6Very high51 Ų5156.1 Ų56.126%0.26229%0.289SS..EExtended strand (participates in β ladder)trans-97.1130.1-178.6-55.7-62.6000110.3L214 D218 M228 N229L214-I216 HydrophobicContact CB-CD1 3.9Å; L214-I216 HydrophobicContact CB-CG1 4.49Å; L214-I216 PolarHBondContact O-N 2.87Å; I216-D218 HydrophobicContact CG2-CB 4.4Å; I216-M228 HydrophobicContact CD1-CE 4.07Å; I216-M228 HydrophobicContact CD1-SD 3.99Å; I216-M228 HydrophobicContact CG2-CG 3.55Å; I216-M228 HydrophobicContact CG2-SD 4.05Å; I216-N229 WeakPolarHBondContact CA-O 3.38Å
217D98.2Very high94.7Very high21 Ų2156.1 Ų56.111%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-123.3118.2170.2-169.3-11.4000108.1S51 T53 V62 M228 N229S51-D217 VanDerWaalsContact OG-CG 3.23Å; S51-D217 PolarHBondContact OG-OD1 2.86Å; S51-D217 PolarHBondContact OG-OD2 3.34Å; S51-D217 VanDerWaalsContact OG-OD2 3.13Å; T53-D217 VanDerWaalsContact OG1-CB 3.25Å; T53-D217 WeakPolarHBondContact OG1-CB 3.49Å; T53-D217 VanDerWaalsContact OG1-CG 3.25Å; T53-D217 PolarHBondContact OG1-OD2 3.44Å; V62-D217 HydrophobicContact CG2-CB 4.31Å; D217-M228 CarbonylContact O-C 3.48Å; D217-M228 WeakPolarHBondContact O-CA 3.4Å; D217-N229 PolarHBondContact N-O 3.01Å; D217-N229 PolarHBondContact O-N 3.37Å
218D97.9Very high94.9Very high34 Ų3453.2 Ų53.218%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-140.5151.5-173.568.8-52.9000113.7A197 S198 R201 I216 Y226 S227 M228A197-D218 WeakPolarHBondContact CA-OD2 3.42Å; A197-D218 HydrophobicContact CB-CB 4.12Å; A197-D218 WeakPolarHBondContact CB-OD2 3.07Å; S198-D218 PolarHBondContact N-OD2 3.47Å; R201-D218 IonicContact CZ-OD1 3.04Å; R201-D218 IonicContact CZ-OD2 3.86Å; R201-D218 VanDerWaalsContact NH1-CB 3.33Å; R201-D218 IonicContact NH1-OD1 3.64Å; R201-D218 PolarHBondContact NH1-OD1 2.85Å; R201-D218 IonicContact NH1-OD2 3.73Å; R201-D218 PolarHBondContact NH1-OD2 2.95Å; R201-D218 IonicContact NH2-OD1 3.98Å; R201-D218 PolarHBondContact NH2-OD1 2.95Å; R201-D218 IonicContact NH2-OD2 3.91Å; R201-D218 PolarHBondContact NH2-OD2 2.83Å; I216-D218 HydrophobicContact CG2-CB 4.4Å; D218-Y226 HydrophobicContact CB-CE2 3.92Å; D218-Y226 WeakPolarHBondContact CB-OH 3.08Å; D218-Y226 WeakPolarHBondContact OD2-CE2 3.26Å; D218-Y226 PolarHBondContact OD2-OH 3.18Å; D218-S227 CarbonylContact C-O 3.53Å; D218-S227 VanDerWaalsContact CA-O 3.31Å; D218-S227 WeakPolarHBondContact CA-O 3.42Å; D218-M228 HydrophobicContact CB-CB 3.86Å; D218-M228 HydrophobicContact CB-CG 3.83Å
219K97.9Very high95.1Very high81 Ų8142.9 Ų42.935%0.35223%0.234SC..EExtended strand (participates in β ladder)trans-131.2133.6179.2-171.768.5177.1-169.90110.6V50 V62 F221 Y226 S227V50-K219 HydrophobicContact CG1-CD 3.99Å; V50-K219 HydrophobicContact CG1-CG 4.11Å; V62-K219 HydrophobicContact CG1-CB 4.08Å; K219-F221 HydrophobicContact CB-CE1 4.5Å; K219-F221 HydrophobicContact CB-CE2 4.08Å; K219-F221 HydrophobicContact CB-CZ 4Å; K219-F221 HydrophobicContact CG-CD1 4.11Å; K219-F221 HydrophobicContact CG-CD2 4.38Å; K219-F221 HydrophobicContact CG-CE1 3.83Å; K219-F221 HydrophobicContact CG-CE2 4.11Å; K219-F221 HydrophobicContact CG-CG 4.38Å; K219-F221 HydrophobicContact CG-CZ 3.83Å; K219-Y226 VanDerWaalsContact O-CA 3.28Å; K219-Y226 WeakPolarHBondContact O-CA 3.4Å; K219-S227 PolarHBondContact N-O 3.02Å; K219-S227 PolarHBondContact O-N 2.9Å
220L97.8Very high95.2Very high3 Ų342.1 Ų42.12%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-99.6119.1163.9-175.466.9000107.3F189 R191 S194 A197 A200F189-L220 HydrophobicContact CB-CD1 4.45Å; F189-L220 WeakPolarHBondContact O-CD1 3.42Å; R191-L220 HydrophobicContact CG-CD2 4.42Å; R191-L220 HydrophobicContact CG-CG 4.45Å; R191-L220 PolarHBondContact NH2-O 3.24Å; S194-L220 WeakPolarHBondContact O-CD2 3.37Å; A197-L220 HydrophobicContact CB-CB 3.88Å; A200-L220 HydrophobicContact CB-CD1 4.19Å
221F96.1Very high95.4Very high40 Ų4040.7 Ų40.718%0.17522%0.224CC..  trans-86.2172.2-177.1-65.6-83.1000111.8V50 V62 L63 R191 K219 C224 G225V50-F221 HydrophobicContact CG2-CE1 4.45Å; V62-F221 HydrophobicContact CG1-CZ 4.5Å; L63-F221 WeakPolarHBondContact O-CZ 3.44Å; R191-F221 WeakPolarHBondContact CG-O 3.4Å; K219-F221 HydrophobicContact CB-CE1 4.5Å; K219-F221 HydrophobicContact CB-CE2 4.08Å; K219-F221 HydrophobicContact CB-CZ 4Å; K219-F221 HydrophobicContact CG-CD1 4.11Å; K219-F221 HydrophobicContact CG-CD2 4.38Å; K219-F221 HydrophobicContact CG-CE1 3.83Å; K219-F221 HydrophobicContact CG-CE2 4.11Å; K219-F221 HydrophobicContact CG-CG 4.38Å; K219-F221 HydrophobicContact CG-CZ 3.83Å; F221-C224 WeakPolarHBondContact CB-O 3.41Å; F221-G225 PolarHBondContact N-O 3.38Å
222E92.8Very high95.8Very high149 Ų14939.5 Ų39.570%0.69622%0.218SC*.SBendtrans-120132.4-178.9-82.9168.5-142.400110.4R191 C224R191-E222 HydrophobicContact CG-CG 3.84Å; R191-E222 IonicContact CZ-OE1 2.7Å; R191-E222 IonicContact NE-OE1 3.44Å; R191-E222 IonicContact NH2-OE1 3.47Å; R191-E222 PolarHBondContact NH2-OE1 3.32Å; E222-C224 VanDerWaalsContact C-N 3.34Å
223P92.4Very high96.2Very high109 Ų10940.2 Ų40.271%0.70820%0.201SC*.SBendcis-75.7-17.50.132.1-36000113.9R191R191-P223 WeakPolarHBondContact CB-O 3.28Å; R191-P223 WeakPolarHBondContact CG-O 3.35Å; R191-P223 PolarHBondContact N-O 3.03Å; R191-P223 VanDerWaalsContact N-O 3.16Å
224C94.7Very high96.2Very high27 Ų2744.6 Ų44.618%0.18222%0.216CC..BIsolated β-bridgetrans-153.4175179.2600000110.6F189 A190 F221 E222 P245F189-C224 WeakPolarHBondContact O-CA 3.25Å; F189-C224 WeakPolarHBondContact O-CB 3.11Å; A190-C224 HydrophobicContact CB-CB 4.15Å; F221-C224 WeakPolarHBondContact CB-O 3.41Å; E222-C224 VanDerWaalsContact C-N 3.34Å; C224-P245 HydrophobicContact CB-CG 3.65Å
225G96Very high96.2Very high7 Ų745.3 Ų45.37%0.07222%0.222CC..  trans113.2150.5-179.500000111.6F189 F221 I243F189-G225 PolarHBondContact O-N 3.01Å; F189-G225 VanDerWaalsContact O-N 3.07Å; F221-G225 PolarHBondContact N-O 3.38Å; G225-I243 WeakPolarHBondContact CA-O 3.49Å
226Y97.9Very high96Very high0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-145138.4-179.6174.1-80.2000111.2F189 A197 A200 R201 L206 D218 K219 M228 I243F189-Y226 VanDerWaalsContact CD1-CB 3.44Å; F189-Y226 HydrophobicContact CD1-CD1 4.29Å; F189-Y226 AromaticContact CD1-CD2 3.86Å; F189-Y226 HydrophobicContact CD1-CD2 3.86Å; F189-Y226 AromaticContact CD1-CG 3.63Å; F189-Y226 HydrophobicContact CD1-CG 3.63Å; F189-Y226 HydrophobicContact CE1-CD1 4.1Å; F189-Y226 HydrophobicContact CE1-CD2 4.05Å; F189-Y226 HydrophobicContact CE1-CE2 4.48Å; F189-Y226 AromaticContact CE1-CG 3.85Å; F189-Y226 HydrophobicContact CE1-CG 3.85Å; A197-Y226 HydrophobicContact CB-CD2 4.3Å; A197-Y226 HydrophobicContact CB-CE2 3.97Å; A200-Y226 HydrophobicContact CB-CD2 4.46Å; R201-Y226 HydrophobicContact CB-CE2 4.45Å; R201-Y226 PolarHBondContact NH1-OH 3.31Å; L206-Y226 HydrophobicContact CD2-CD1 4.37Å; L206-Y226 HydrophobicContact CD2-CE1 3.65Å; D218-Y226 HydrophobicContact CB-CE2 3.92Å; D218-Y226 WeakPolarHBondContact CB-OH 3.08Å; D218-Y226 WeakPolarHBondContact OD2-CE2 3.26Å; D218-Y226 PolarHBondContact OD2-OH 3.18Å; K219-Y226 VanDerWaalsContact O-CA 3.28Å; K219-Y226 WeakPolarHBondContact O-CA 3.4Å; Y226-M228 HydrophobicContact CD1-CB 4.4Å; Y226-M228 HydrophobicContact CE1-CB 3.4Å; Y226-M228 HydrophobicContact CE1-CG 4.42Å; Y226-M228 WeakPolarHBondContact OH-CB 3.12Å; Y226-I243 HydrophobicContact CD1-CD1 3.77Å; Y226-I243 HydrophobicContact CD1-CG1 4.18Å; Y226-I243 HydrophobicContact CE1-CD1 4.44Å; Y226-I243 HydrophobicContact CG-CD1 4.36Å; Y226-I243 PolarHBondContact N-O 3.25Å; Y226-I243 PolarHBondContact O-N 3.37Å
227S97.9Very high95.9Very high0 Ų044.5 Ų44.50%022%0.22CC..EExtended strand (participates in β ladder)trans-132141.8171.6-169.50000109.2S66 D218 K219 V241S66-S227 PolarHBondContact O-OG 3.07Å; S66-S227 VanDerWaalsContact O-OG 3.04Å; D218-S227 CarbonylContact C-O 3.53Å; D218-S227 VanDerWaalsContact CA-O 3.31Å; D218-S227 WeakPolarHBondContact CA-O 3.42Å; K219-S227 PolarHBondContact N-O 3.02Å; K219-S227 PolarHBondContact O-N 2.9Å; S227-V241 CarbonylContact C-O 3.57Å; S227-V241 WeakPolarHBondContact CA-O 3.38Å
228M98Very high95.9Very high0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-144.5139.3178.5179.9-83.5-90.800111.6F210 I216 D217 D218 Y226 G230 T240 V241F210-M228 HydrophobicContact CD1-CE 4.12Å; F210-M228 HydrophobicContact CD2-CE 3.79Å; F210-M228 HydrophobicContact CE1-CE 3.49Å; F210-M228 VanDerWaalsContact CE1-CE 3.49Å; F210-M228 HydrophobicContact CE2-CE 3.1Å; F210-M228 HydrophobicContact CG-CE 4.26Å; F210-M228 HydrophobicContact CZ-CE 2.95Å; I216-M228 HydrophobicContact CD1-CE 4.07Å; I216-M228 HydrophobicContact CD1-SD 3.99Å; I216-M228 HydrophobicContact CG2-CG 3.55Å; I216-M228 HydrophobicContact CG2-SD 4.05Å; D217-M228 CarbonylContact O-C 3.48Å; D217-M228 WeakPolarHBondContact O-CA 3.4Å; D218-M228 HydrophobicContact CB-CB 3.86Å; D218-M228 HydrophobicContact CB-CG 3.83Å; Y226-M228 HydrophobicContact CD1-CB 4.4Å; Y226-M228 HydrophobicContact CE1-CB 3.4Å; Y226-M228 HydrophobicContact CE1-CG 4.42Å; Y226-M228 WeakPolarHBondContact OH-CB 3.12Å; M228-G230 PolarHBondContact SD-N 3.15Å; M228-T240 VanDerWaalsContact O-CA 3.24Å; M228-T240 WeakPolarHBondContact O-CA 3.3Å; M228-T240 PolarHBondContact O-OG1 2.76Å; M228-V241 HydrophobicContact CE-CG2 4.19Å; M228-V241 PolarHBondContact N-O 3.41Å; M228-V241 PolarHBondContact O-N 3.33Å
229N98.4Very high95.9Very high1 Ų142 Ų421%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-117.5131.4165.8-64.9-25.1000109.8A60 Y61 V62 S67 F69 I216 D217 T240A60-N229 HydrophobicContact CB-CB 4.21Å; Y61-N229 PolarHBondContact O-ND2 2.63Å; V62-N229 HydrophobicContact CG2-CB 4.44Å; V62-N229 PolarHBondContact N-ND2 3.15Å; S67-N229 VanDerWaalsContact CB-OD1 3.26Å; S67-N229 WeakPolarHBondContact CB-OD1 3.31Å; S67-N229 PolarHBondContact OG-ND2 3.46Å; S67-N229 PolarHBondContact OG-OD1 3.18Å; F69-N229 HydrophobicContact CE1-CB 3.98Å; F69-N229 HydrophobicContact CZ-CB 3.99Å; F69-N229 VanDerWaalsContact CZ-CG 3.49Å; F69-N229 WeakPolarHBondContact CZ-OD1 3.44Å; I216-N229 WeakPolarHBondContact CA-O 3.38Å; D217-N229 PolarHBondContact N-O 3.01Å; D217-N229 PolarHBondContact O-N 3.37Å; N229-T240 PolarHBondContact OD1-OG1 3.42Å
230G97.9Very high95.9Very high0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-120.7121172.600000109.4I215 M228 Y238 V239I215-G230 WeakPolarHBondContact O-CA 3.42Å; M228-G230 PolarHBondContact SD-N 3.15Å; G230-Y238 CarbonylContact O-C 3.6Å; G230-Y238 WeakPolarHBondContact O-CA 3.28Å; G230-Y238 WeakPolarHBondContact O-CB 3.45Å; G230-V239 PolarHBondContact N-O 2.99Å; G230-V239 PolarHBondContact O-N 3.19Å
231I97.8Very high95.9Very high1 Ų138 Ų381%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-117142.1-179.365.9177.4000112.1T53 C55 M58 A60 F69 L214 I215T53-I231 HydrophobicContact CG2-CD1 3.86Å; T53-I231 HydrophobicContact CG2-CG1 4.33Å; C55-I231 HydrophobicContact CB-CD1 3.77Å; C55-I231 HydrophobicContact CB-CG1 4.43Å; M58-I231 HydrophobicContact CE-CB 4.05Å; M58-I231 HydrophobicContact CE-CG2 3.71Å; A60-I231 HydrophobicContact CB-CG2 3.59Å; F69-I231 HydrophobicContact CD1-CG2 4.47Å; F69-I231 HydrophobicContact CE1-CG2 4.2Å; L214-I231 VanDerWaalsContact CD2-C 3.44Å; L214-I231 WeakPolarHBondContact CD2-O 3.23Å; I215-I231 HydrophobicContact CB-CG1 4.03Å; I215-I231 HydrophobicContact CD1-CG1 4.38Å; I215-I231 PolarHBondContact N-O 3.3Å; I215-I231 PolarHBondContact O-N 3.18Å
232Q95.6Very high96Very high39 Ų3936.5 Ų36.518%0.18218%0.183CC..  trans-72.5147.9169.1-74.6-166.2-30.800110.2C55 L214 K234 S235 A237 I258C55-Q232 PolarHBondContact SG-O 2.8Å; C55-Q232 VanDerWaalsContact SG-O 3.37Å; L214-Q232 HydrophobicContact CD2-CB 4.43Å; L214-Q232 HydrophobicContact CD2-CG 3.68Å; Q232-K234 PolarHBondContact O-N 2.75Å; Q232-S235 WeakPolarHBondContact CB-OG 3.07Å; Q232-S235 PolarHBondContact OE1-OG 3.44Å; Q232-A237 HydrophobicContact CB-CB 4.4Å; Q232-A237 HydrophobicContact CG-CB 4.22Å; Q232-A237 PolarHBondContact N-O 3.25Å; Q232-I258 HydrophobicContact CG-CD1 4.44Å; Q232-I258 HydrophobicContact CG-CG1 4.3Å
233R93Very high96.2Very high147 Ų14729.5 Ų29.556%0.55515%0.15SC*.SBendtrans-71-29.5-172.9-65.2-173.2175.6-93.1-1.3114.4E56 I215E56-R233 PolarHBondContact N-O 3.11Å; I215-R233 HydrophobicContact CD1-CG 3.82Å; I215-R233 HydrophobicContact CG1-CG 3.94Å
234K91.2Very high96.5Very high172 Ų17224.4 Ų24.475%0.74812%0.117SC*.SBendtrans-123.65.6-165.7-63.4-172.8176.4-175.10114Q232Q232-K234 PolarHBondContact O-N 2.75Å
235S93.3Very high96.5Very high32 Ų3223.8 Ų23.822%0.22411%0.113CC..SBendtrans-141.6165.9-178.1620000109.3A57 Q232 A237A57-S235 VanDerWaalsContact CB-C 3.42Å; Q232-S235 WeakPolarHBondContact CB-OG 3.07Å; Q232-S235 PolarHBondContact OE1-OG 3.44Å; S235-A237 PolarHBondContact O-N 3.38Å; S235-A237 WeakPolarHBondContact OG-CB 3.47Å; S235-A237 PolarHBondContact OG-N 2.69Å
236D93.8Very high96.4Very high65 Ų6526.1 Ų26.135%0.34812%0.122SC..SBendtrans-81.518.117367.4-32.1000112.3A57 M58 R74A57-D236 HydrophobicContact CB-CB 4.39Å; M58-D236 VanDerWaalsContact CE-O 3.27Å; M58-D236 WeakPolarHBondContact CE-O 3.1Å; R74-D236 IonicContact CZ-OD2 3.79Å; R74-D236 IonicContact NH1-OD2 3.26Å; R74-D236 VanDerWaalsContact NH2-CG 3.31Å; R74-D236 PolarHBondContact NH2-O 3.41Å; R74-D236 IonicContact NH2-OD2 3.77Å; R74-D236 PolarHBondContact NH2-OD2 3.48Å
237A95.6Very high95.9Very high7 Ų735.2 Ų35.26%0.05816%0.161CC..  trans-86.1138-179.500000111.8Q232 S235 N257 I258Q232-A237 HydrophobicContact CB-CB 4.4Å; Q232-A237 HydrophobicContact CG-CB 4.22Å; Q232-A237 PolarHBondContact N-O 3.25Å; S235-A237 PolarHBondContact O-N 3.38Å; S235-A237 WeakPolarHBondContact OG-CB 3.47Å; S235-A237 PolarHBondContact OG-N 2.69Å; A237-N257 WeakPolarHBondContact CA-OD1 3.27Å; A237-I258 HydrophobicContact CB-CB 4.43Å; A237-I258 HydrophobicContact CB-CG1 3.77Å
238Y97.2Very high95.5Very high0 Ų037.8 Ų37.80%019%0.188CC..EExtended strand (participates in β ladder)trans-140.4165.5-177.967-87.3000113.1M58 F69 G230 T240 E255 T256 N257 I258M58-Y238 HydrophobicContact CE-CD1 4.19Å; M58-Y238 HydrophobicContact CE-CG 4.48Å; M58-Y238 HydrophobicContact SD-CD1 4.08Å; F69-Y238 HydrophobicContact CD1-CD1 4.17Å; F69-Y238 HydrophobicContact CD1-CD2 4.19Å; F69-Y238 AromaticContact CD1-CG 3.86Å; F69-Y238 HydrophobicContact CD1-CG 3.86Å; F69-Y238 HydrophobicContact CD2-CD2 4.07Å; F69-Y238 HydrophobicContact CD2-CE1 4.45Å; F69-Y238 AromaticContact CD2-CE2 3.93Å; F69-Y238 HydrophobicContact CD2-CE2 3.93Å; F69-Y238 HydrophobicContact CD2-CG 4.4Å; F69-Y238 HydrophobicContact CE1-CD1 4.46Å; F69-Y238 AromaticContact CE1-CD2 3.75Å; F69-Y238 HydrophobicContact CE1-CD2 3.75Å; F69-Y238 AromaticContact CE1-CG 3.71Å; F69-Y238 HydrophobicContact CE1-CG 3.71Å; F69-Y238 AromaticContact CE2-CD2 3.62Å; F69-Y238 HydrophobicContact CE2-CD2 3.62Å; F69-Y238 AromaticContact CE2-CE2 3.66Å; F69-Y238 HydrophobicContact CE2-CE2 3.66Å; F69-Y238 HydrophobicContact CE2-CG 4.27Å; F69-Y238 HydrophobicContact CG-CD1 4.24Å; F69-Y238 HydrophobicContact CG-CD2 4.34Å; F69-Y238 HydrophobicContact CG-CE1 4.39Å; F69-Y238 HydrophobicContact CG-CE2 4.49Å; F69-Y238 HydrophobicContact CG-CG 4.22Å; F69-Y238 AromaticContact CZ-CD2 3.45Å; F69-Y238 HydrophobicContact CZ-CD2 3.45Å; F69-Y238 VanDerWaalsContact CZ-CD2 3.45Å; F69-Y238 HydrophobicContact CZ-CE2 4Å; F69-Y238 AromaticContact CZ-CG 3.93Å; F69-Y238 HydrophobicContact CZ-CG 3.93Å; G230-Y238 CarbonylContact O-C 3.6Å; G230-Y238 WeakPolarHBondContact O-CA 3.28Å; G230-Y238 WeakPolarHBondContact O-CB 3.45Å; Y238-T240 HydrophobicContact CD2-CG2 4.44Å; Y238-T240 HydrophobicContact CE2-CG2 4.19Å; Y238-E255 WeakPolarHBondContact CE2-OE1 3.25Å; Y238-E255 PolarHBondContact OH-OE1 2.84Å; Y238-T256 VanDerWaalsContact O-CA 3.28Å; Y238-T256 WeakPolarHBondContact O-CA 3.24Å; Y238-T256 WeakPolarHBondContact O-CB 2.88Å; Y238-T256 PolarHBondContact O-OG1 3.34Å; Y238-N257 WeakPolarHBondContact CE1-ND2 3.42Å; Y238-N257 PolarHBondContact N-OD1 2.85Å; Y238-N257 PolarHBondContact O-N 3.25Å; Y238-N257 PolarHBondContact O-OD1 2.78Å; Y238-I258 WeakPolarHBondContact O-CG1 3.2Å
239V97.8Very high95.3Very high3 Ų339 Ų392%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-129141.3161.857.50000107.9F210 L214 G230 V241 F254 E255 I258F210-V239 HydrophobicContact CD1-CG1 3.88Å; F210-V239 HydrophobicContact CD1-CG2 4.11Å; F210-V239 HydrophobicContact CE1-CG1 4.11Å; F210-V239 HydrophobicContact CE1-CG2 3.72Å; L214-V239 HydrophobicContact CD1-CG1 3.78Å; G230-V239 PolarHBondContact N-O 2.99Å; G230-V239 PolarHBondContact O-N 3.19Å; V239-V241 HydrophobicContact CG2-CG2 4.48Å; V239-F254 HydrophobicContact CG2-CD2 4.46Å; V239-F254 HydrophobicContact CG2-CE1 4.34Å; V239-F254 HydrophobicContact CG2-CE2 3.73Å; V239-F254 HydrophobicContact CG2-CZ 3.63Å; V239-E255 CarbonylContact C-O 3.52Å; V239-E255 VanDerWaalsContact CA-O 3.26Å; V239-E255 WeakPolarHBondContact CA-O 3.36Å; V239-E255 WeakPolarHBondContact CG2-O 3.08Å; V239-I258 HydrophobicContact CB-CD1 4.11Å; V239-I258 HydrophobicContact CG1-CD1 4.21Å
240T98.2Very high95.2Very high0 Ų039.4 Ų39.40%020%0.197CC..EExtended strand (participates in β ladder)trans-134.4143.8173.3-170.30000111S67 F69 K78 M228 N229 Y238 E255S67-T240 PolarHBondContact OG-OG1 3.18Å; F69-T240 HydrophobicContact CE2-CG2 4.2Å; F69-T240 HydrophobicContact CZ-CG2 4.44Å; K78-T240 HydrophobicContact CD-CG2 4Å; M228-T240 VanDerWaalsContact O-CA 3.24Å; M228-T240 WeakPolarHBondContact O-CA 3.3Å; M228-T240 PolarHBondContact O-OG1 2.76Å; N229-T240 PolarHBondContact OD1-OG1 3.42Å; Y238-T240 HydrophobicContact CD2-CG2 4.44Å; Y238-T240 HydrophobicContact CE2-CG2 4.19Å; T240-E255 HydrophobicContact CG2-CB 3.9Å; T240-E255 PolarHBondContact N-O 2.95Å; T240-E255 PolarHBondContact O-N 3.38Å
241V98.3Very high95.2Very high0 Ų039.4 Ų39.40%020%0.197CC..EExtended strand (participates in β ladder)trans-137.4122.6179.9-173.30000109L206 F210 S227 M228 V239 I243 V252 S253 F254 F274L206-V241 HydrophobicContact CD1-CG1 4.38Å; L206-V241 HydrophobicContact CD1-CG2 4.37Å; L206-V241 HydrophobicContact CD2-CG1 4.43Å; F210-V241 HydrophobicContact CE1-CG2 4.21Å; F210-V241 HydrophobicContact CZ-CG2 3.95Å; S227-V241 CarbonylContact C-O 3.57Å; S227-V241 WeakPolarHBondContact CA-O 3.38Å; M228-V241 HydrophobicContact CE-CG2 4.19Å; M228-V241 PolarHBondContact N-O 3.41Å; M228-V241 PolarHBondContact O-N 3.33Å; V239-V241 HydrophobicContact CG2-CG2 4.48Å; V241-I243 HydrophobicContact CG1-CD1 4.08Å; V241-I243 HydrophobicContact CG1-CG1 3.93Å; V241-V252 HydrophobicContact CG1-CG1 4.13Å; V241-S253 WeakPolarHBondContact CA-O 3.49Å; V241-F254 HydrophobicContact CG2-CD2 3.62Å; V241-F254 HydrophobicContact CG2-CE2 4.13Å; V241-F254 HydrophobicContact CG2-CG 4.46Å; V241-F274 HydrophobicContact CG1-CZ 4.25Å
242H98.1Very high95.3Very high8 Ų839.3 Ų39.34%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-118.9134174.1-168.372.9000110.4E13 C80 V252 S253E13-H242 WeakPolarHBondContact OE1-CB 3.18Å; E13-H242 IonicContact OE1-CD2 2.93Å; E13-H242 IonicContact OE1-CG 3.3Å; C80-H242 PolarHBondContact SG-NE2 2.99Å; H242-V252 VanDerWaalsContact O-CA 3.3Å; H242-V252 WeakPolarHBondContact O-CA 3.49Å; H242-S253 WeakPolarHBondContact CB-OG 2.92Å; H242-S253 PolarHBondContact N-O 2.97Å; H242-S253 VanDerWaalsContact N-O 3.12Å; H242-S253 PolarHBondContact O-N 2.94Å
243I98.1Very high95.4Very high1 Ų137.5 Ų37.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-131.6118.2-169.5-55.1179.6000109.6M186 F189 L206 G225 Y226 V241 P245 V252 F274M186-I243 HydrophobicContact CE-CG2 4.28Å; M186-I243 HydrophobicContact SD-CG2 3.98Å; F189-I243 HydrophobicContact CB-CG2 4.35Å; F189-I243 HydrophobicContact CD1-CD1 3.9Å; F189-I243 HydrophobicContact CD2-CD1 4.11Å; F189-I243 HydrophobicContact CD2-CG2 3.84Å; F189-I243 HydrophobicContact CE1-CD1 3.4Å; F189-I243 VanDerWaalsContact CE1-CD1 3.4Å; F189-I243 HydrophobicContact CE2-CD1 3.65Å; F189-I243 HydrophobicContact CE2-CG2 4.28Å; F189-I243 HydrophobicContact CG-CD1 4.21Å; F189-I243 HydrophobicContact CG-CG2 4.01Å; F189-I243 HydrophobicContact CZ-CD1 3.25Å; L206-I243 HydrophobicContact CD2-CD1 4.12Å; G225-I243 WeakPolarHBondContact CA-O 3.49Å; Y226-I243 HydrophobicContact CD1-CD1 3.77Å; Y226-I243 HydrophobicContact CD1-CG1 4.18Å; Y226-I243 HydrophobicContact CE1-CD1 4.44Å; Y226-I243 HydrophobicContact CG-CD1 4.36Å; Y226-I243 PolarHBondContact N-O 3.25Å; Y226-I243 PolarHBondContact O-N 3.37Å; V241-I243 HydrophobicContact CG1-CD1 4.08Å; V241-I243 HydrophobicContact CG1-CG1 3.93Å; I243-P245 WeakPolarHBondContact O-CD 3.5Å; I243-V252 HydrophobicContact CB-CG2 4.31Å; I243-V252 HydrophobicContact CG1-CG1 4.12Å; I243-V252 HydrophobicContact CG1-CG2 4.04Å; I243-V252 HydrophobicContact CG2-CG2 3.99Å; I243-F274 HydrophobicContact CD1-CE1 3.86Å; I243-F274 HydrophobicContact CD1-CZ 4.07Å
244T97Very high95.7Very high2 Ų230.6 Ų30.61%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-103.296.4168-55.60000107.5F9 G11 E246 S250 Y251F9-T244 HydrophobicContact CD1-CG2 3.66Å; F9-T244 HydrophobicContact CE1-CG2 4.34Å; G11-T244 WeakPolarHBondContact CA-OG1 3.36Å; T244-E246 VanDerWaalsContact C-N 3.31Å; T244-E246 WeakPolarHBondContact CG2-OE2 3.48Å; T244-E246 PolarHBondContact O-N 2.74Å; T244-S250 CarbonylContact O-C 3.53Å; T244-S250 WeakPolarHBondContact O-CA 3.14Å; T244-Y251 PolarHBondContact N-O 2.71Å; T244-Y251 PolarHBondContact O-N 3.23Å
245P96.3Very high96Very high15 Ų1522.4 Ų22.410%0.09713%0.126CC..  trans-78.6-10-171.230.8-36.3000114.7M186 F189 C224 I243 F247M186-P245 HydrophobicContact CB-CB 4.08Å; M186-P245 WeakPolarHBondContact O-CB 3.36Å; M186-P245 HydrophobicContact SD-CB 4.48Å; F189-P245 HydrophobicContact CB-CB 4.23Å; F189-P245 HydrophobicContact CB-CG 4.29Å; C224-P245 HydrophobicContact CB-CG 3.65Å; I243-P245 WeakPolarHBondContact O-CD 3.5Å; P245-F247 PolarHBondContact O-N 2.79Å
246E93.8Very high96.2Very high55 Ų5520.9 Ų20.926%0.25712%0.116SC..  trans-57.1132.2-170.2-71.288.9153.200113.2T244 G248 H249 S250T244-E246 VanDerWaalsContact C-N 3.31Å; T244-E246 WeakPolarHBondContact CG2-OE2 3.48Å; T244-E246 PolarHBondContact O-N 2.74Å; E246-G248 PolarHBondContact O-N 2.8Å; E246-H249 WeakPolarHBondContact CB-CE1 3.29Å; E246-H249 CarbonylContact O-C 3.5Å; E246-H249 PolarHBondContact O-N 3.21Å; E246-S250 VanDerWaalsContact O-CA 3.3Å; E246-S250 WeakPolarHBondContact O-CA 3.49Å; E246-S250 WeakPolarHBondContact O-CB 3.5Å; E246-S250 PolarHBondContact O-N 2.6Å
247F87.5Confident96.3Very high191 Ų19118.5 Ų18.584%0.83810%0.103SC*.THydrogen-bonded Turntrans-67.2133.1-177.5-174.5-97.4000111.9P245P245-F247 PolarHBondContact O-N 2.79Å
248G88.9Confident96.2Very high55 Ų5518.3 Ų18.357%0.56710%0.101SC*.THydrogen-bonded Turntrans94.7-16.7178.600000114.7E246E246-G248 PolarHBondContact O-N 2.8Å
249H93.7Very high95.6Very high25 Ų2522.5 Ų22.512%0.11612%0.12CC..SBendtrans-145.434171.555.378000111.4F8 F9 L116 E246 Y251F8-H249 HydrophobicContact CD2-CB 4.38Å; F8-H249 AromaticContact CD2-CD2 3.76Å; F8-H249 HydrophobicContact CE2-CB 4.06Å; F9-H249 PolarHBondContact O-ND1 3.34Å; L116-H249 HydrophobicContact CD1-CB 4.43Å; E246-H249 WeakPolarHBondContact CB-CE1 3.29Å; E246-H249 CarbonylContact O-C 3.5Å; E246-H249 PolarHBondContact O-N 3.21Å; H249-Y251 PolarHBondContact O-N 3.03Å
250S97.2Very high94.8Very high9 Ų929 Ų296%0.06315%0.15CC..  trans-63.7137179.958.50000110D180 L181 T244 E246D180-S250 PolarHBondContact N-O 3.27Å; D180-S250 VanDerWaalsContact N-O 3.13Å; L181-S250 WeakPolarHBondContact CD2-O 3.22Å; L181-S250 PolarHBondContact N-OG 3.4Å; T244-S250 CarbonylContact O-C 3.53Å; T244-S250 WeakPolarHBondContact O-CA 3.14Å; E246-S250 VanDerWaalsContact O-CA 3.3Å; E246-S250 WeakPolarHBondContact O-CA 3.49Å; E246-S250 WeakPolarHBondContact O-CB 3.5Å; E246-S250 PolarHBondContact O-N 2.6Å
251Y97.9Very high94Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-142.7140.2-174.9-168.6-94.2000110.6G11 V12 K113 L177 M178 L181 T244 H249G11-Y251 WeakPolarHBondContact O-CD1 2.98Å; G11-Y251 WeakPolarHBondContact O-CE1 3.08Å; V12-Y251 HydrophobicContact CG2-CD2 4.22Å; V12-Y251 HydrophobicContact CG2-CE2 3.72Å; K113-Y251 HydrophobicContact CD-CE2 4.17Å; L177-Y251 WeakPolarHBondContact CB-OH 3.5Å; L177-Y251 WeakPolarHBondContact CD2-OH 3.15Å; M178-Y251 WeakPolarHBondContact O-CA 3.46Å; M178-Y251 WeakPolarHBondContact O-CD2 3.34Å; L181-Y251 VanDerWaalsContact CD2-CA 3.5Å; L181-Y251 VanDerWaalsContact CD2-N 3.26Å; T244-Y251 PolarHBondContact N-O 2.71Å; T244-Y251 PolarHBondContact O-N 3.23Å; H249-Y251 PolarHBondContact O-N 3.03Å
252V98.4Very high93.2Very high0 Ų030.2 Ų30.20%016%0.158CC..EExtended strand (participates in β ladder)trans-134.6127.9170.8178.20000108.6M178 L181 M186 V241 H242 I243 F274M178-V252 HydrophobicContact CB-CB 4.39Å; M178-V252 HydrophobicContact CE-CB 3.84Å; M178-V252 HydrophobicContact CE-CG1 3.47Å; M178-V252 VanDerWaalsContact CE-CG1 3.47Å; M178-V252 PolarHBondContact N-O 3.24Å; M178-V252 PolarHBondContact O-N 2.7Å; L181-V252 HydrophobicContact CD2-CB 4.43Å; L181-V252 HydrophobicContact CD2-CG2 3.81Å; L181-V252 HydrophobicContact CG-CG2 3.86Å; M186-V252 HydrophobicContact CE-CG2 3.95Å; M186-V252 HydrophobicContact SD-CG2 4.1Å; V241-V252 HydrophobicContact CG1-CG1 4.13Å; H242-V252 VanDerWaalsContact O-CA 3.3Å; H242-V252 WeakPolarHBondContact O-CA 3.49Å; I243-V252 HydrophobicContact CB-CG2 4.31Å; I243-V252 HydrophobicContact CG1-CG1 4.12Å; I243-V252 HydrophobicContact CG1-CG2 4.04Å; I243-V252 HydrophobicContact CG2-CG2 3.99Å; V252-F274 HydrophobicContact CG1-CD1 4.38Å; V252-F274 HydrophobicContact CG1-CD2 4.17Å; V252-F274 HydrophobicContact CG1-CE1 4.14Å; V252-F274 HydrophobicContact CG1-CE2 3.92Å; V252-F274 HydrophobicContact CG1-CG 4.37Å; V252-F274 HydrophobicContact CG1-CZ 3.89Å; V252-F274 HydrophobicContact CG2-CD1 3.98Å; V252-F274 HydrophobicContact CG2-CE1 4.12Å; V252-F274 HydrophobicContact CG2-CG 4.41Å
253S98.2Very high92.7Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-101.2140.3162.264.10000109.6E13 V241 H242E13-S253 PolarHBondContact OE1-OG 3.17Å; E13-S253 WeakPolarHBondContact OE2-CB 3.46Å; E13-S253 PolarHBondContact OE2-OG 2.64Å; V241-S253 WeakPolarHBondContact CA-O 3.49Å; H242-S253 WeakPolarHBondContact CB-OG 2.92Å; H242-S253 PolarHBondContact N-O 2.97Å; H242-S253 VanDerWaalsContact N-O 3.12Å; H242-S253 PolarHBondContact O-N 2.94Å
254F98.4Very high92.3Very high2 Ų230.5 Ų30.51%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-129.7129.4168.4175.8-76.9000106.9M174 E175 I176 M178 F210 V239 V241 T256 Q266 V270M174-F254 HydrophobicContact CE-CD1 4.3Å; M174-F254 HydrophobicContact CE-CE1 3.71Å; E175-F254 CarbonylContact C-O 3.51Å; E175-F254 WeakPolarHBondContact CA-O 3.47Å; I176-F254 HydrophobicContact CB-CB 4.35Å; I176-F254 HydrophobicContact CD1-CD1 4.1Å; I176-F254 HydrophobicContact CG1-CD1 4.45Å; I176-F254 PolarHBondContact N-O 2.76Å; I176-F254 PolarHBondContact O-N 3.46Å; M178-F254 HydrophobicContact CE-CB 4.2Å; F210-F254 AromaticContact CE1-CE2 3.89Å; F210-F254 HydrophobicContact CE1-CE2 3.89Å; V239-F254 HydrophobicContact CG2-CD2 4.46Å; V239-F254 HydrophobicContact CG2-CE1 4.34Å; V239-F254 HydrophobicContact CG2-CE2 3.73Å; V239-F254 HydrophobicContact CG2-CZ 3.63Å; V241-F254 HydrophobicContact CG2-CD2 3.62Å; V241-F254 HydrophobicContact CG2-CE2 4.13Å; V241-F254 HydrophobicContact CG2-CG 4.46Å; F254-T256 HydrophobicContact CE1-CG2 3.74Å; F254-T256 HydrophobicContact CZ-CG2 4.3Å; F254-Q266 HydrophobicContact CE1-CG 4.38Å; F254-Q266 HydrophobicContact CZ-CG 4.29Å; F254-V270 HydrophobicContact CB-CG1 3.97Å; F254-V270 HydrophobicContact CD1-CG2 4.02Å; F254-V270 HydrophobicContact CD2-CG1 4.11Å; F254-V270 HydrophobicContact CD2-CG2 3.71Å; F254-V270 HydrophobicContact CE1-CG2 3.99Å; F254-V270 HydrophobicContact CE2-CG2 3.65Å; F254-V270 HydrophobicContact CG-CG1 3.97Å; F254-V270 HydrophobicContact CG-CG2 3.92Å; F254-V270 HydrophobicContact CZ-CG2 3.82Å
255E97.9Very high92.1Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-138.9143176.6-178.1-174.896.600110.6K78 T173 M174 E175 Y238 V239 T240K78-E255 WeakPolarHBondContact CE-OE2 3.19Å; K78-E255 IonicContact NZ-OE1 2.71Å; K78-E255 IonicContact NZ-OE2 3.43Å; K78-E255 PolarHBondContact NZ-OE2 2.85Å; T173-E255 HydrophobicContact CG2-CG 3.75Å; M174-E255 CarbonylContact O-C 3.6Å; M174-E255 VanDerWaalsContact O-CA 3.26Å; M174-E255 WeakPolarHBondContact O-CA 3.39Å; E175-E255 HydrophobicContact CB-CG 4.47Å; Y238-E255 WeakPolarHBondContact CE2-OE1 3.25Å; Y238-E255 PolarHBondContact OH-OE1 2.84Å; V239-E255 CarbonylContact C-O 3.52Å; V239-E255 VanDerWaalsContact CA-O 3.26Å; V239-E255 WeakPolarHBondContact CA-O 3.36Å; V239-E255 WeakPolarHBondContact CG2-O 3.08Å; T240-E255 HydrophobicContact CG2-CB 3.9Å; T240-E255 PolarHBondContact N-O 2.95Å; T240-E255 PolarHBondContact O-N 3.38Å
256T97.4Very high92Very high1 Ų135 Ų351%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-155.1146.4173.2-172.20000111.6T173 M174 Y238 F254 I258 T261 V262T173-T256 WeakPolarHBondContact CA-O 3.49Å; M174-T256 HydrophobicContact CB-CG2 4.4Å; M174-T256 HydrophobicContact CE-CG2 3.79Å; M174-T256 PolarHBondContact N-O 3.32Å; M174-T256 PolarHBondContact O-N 3Å; Y238-T256 VanDerWaalsContact O-CA 3.28Å; Y238-T256 WeakPolarHBondContact O-CA 3.24Å; Y238-T256 WeakPolarHBondContact O-CB 2.88Å; Y238-T256 PolarHBondContact O-OG1 3.34Å; F254-T256 HydrophobicContact CE1-CG2 3.74Å; F254-T256 HydrophobicContact CZ-CG2 4.3Å; T256-I258 WeakPolarHBondContact OG1-CB 3Å; T256-I258 PolarHBondContact OG1-N 2.8Å; T256-I258 VanDerWaalsContact OG1-N 3.11Å; T256-T261 VanDerWaalsContact CG2-OG1 3.27Å; T256-T261 WeakPolarHBondContact CG2-OG1 3.41Å; T256-T261 PolarHBondContact OG1-OG1 3.15Å; T256-V262 HydrophobicContact CG2-CG2 4.41Å
257N95.7Very high92.1Very high15 Ų1532.4 Ų32.48%0.0817%0.168CC..  trans-113.111.2167.567.6-5000111.9R74 Q172 A237 Y238 H259R74-N257 PolarHBondContact NH1-ND2 2.84Å; R74-N257 PolarHBondContact NH2-ND2 3.45Å; Q172-N257 VanDerWaalsContact O-CA 3.25Å; Q172-N257 WeakPolarHBondContact O-CA 3.45Å; Q172-N257 WeakPolarHBondContact O-CB 3.21Å; A237-N257 WeakPolarHBondContact CA-OD1 3.27Å; Y238-N257 WeakPolarHBondContact CE1-ND2 3.42Å; Y238-N257 PolarHBondContact N-OD1 2.85Å; Y238-N257 PolarHBondContact O-N 3.25Å; Y238-N257 PolarHBondContact O-OD1 2.78Å; N257-H259 PolarHBondContact O-N 2.79Å
258I94.3Very high92.5Very high3 Ų325.2 Ų25.22%0.01514%0.136CC..  trans-65.8127.2-179.7-65.4161.5000109.2L214 Q232 A237 Y238 V239 T256 Q260 T261L214-I258 HydrophobicContact CD1-CD1 4Å; L214-I258 HydrophobicContact CD2-CD1 3.76Å; L214-I258 HydrophobicContact CG-CD1 4.49Å; Q232-I258 HydrophobicContact CG-CD1 4.44Å; Q232-I258 HydrophobicContact CG-CG1 4.3Å; A237-I258 HydrophobicContact CB-CB 4.43Å; A237-I258 HydrophobicContact CB-CG1 3.77Å; Y238-I258 WeakPolarHBondContact O-CG1 3.2Å; V239-I258 HydrophobicContact CB-CD1 4.11Å; V239-I258 HydrophobicContact CG1-CD1 4.21Å; T256-I258 WeakPolarHBondContact OG1-CB 3Å; T256-I258 PolarHBondContact OG1-N 2.8Å; T256-I258 VanDerWaalsContact OG1-N 3.11Å; I258-Q260 PolarHBondContact O-N 2.9Å; I258-T261 HydrophobicContact CB-CG2 4.07Å; I258-T261 WeakPolarHBondContact CB-OG1 3.36Å; I258-T261 HydrophobicContact CG2-CG2 3.8Å; I258-T261 PolarHBondContact O-N 2.82Å; I258-T261 VanDerWaalsContact O-N 3.15Å; I258-T261 PolarHBondContact O-OG1 3.05Å
259H84.5Confident92.9Very high88 Ų8826.1 Ų26.141%0.40713%0.128SC..THydrogen-bonded Turntrans-56.5142177.7-164.9-80.4000110.5Q172 N257 T261 E291Q172-H259 PolarHBondContact NE2-CD2 2.91Å; N257-H259 PolarHBondContact O-N 2.79Å; H259-T261 PolarHBondContact O-N 3.23Å; H259-E291 IonicContact NE2-OE1 3.94Å
260Q80.1Confident93.1Very high138 Ų13825 Ų2565%0.64512%0.123SC*.THydrogen-bonded Turntrans73.7-24.2-174.9-41.8175-3.900116I258 C263I258-Q260 PolarHBondContact O-N 2.9Å; Q260-C263 PolarHBondContact O-SG 3.39Å; Q260-C263 VanDerWaalsContact O-SG 3.35Å
261T81.5Confident93.1Very high19 Ų1924.5 Ų24.512%0.11712%0.12CC..THydrogen-bonded Turntrans-82.1-22.2176.468.50000111.9M174 T256 I258 H259 C263 Q266M174-T261 WeakPolarHBondContact CE-O 3.26Å; T256-T261 VanDerWaalsContact CG2-OG1 3.27Å; T256-T261 WeakPolarHBondContact CG2-OG1 3.41Å; T256-T261 PolarHBondContact OG1-OG1 3.15Å; I258-T261 HydrophobicContact CB-CG2 4.07Å; I258-T261 WeakPolarHBondContact CB-OG1 3.36Å; I258-T261 HydrophobicContact CG2-CG2 3.8Å; I258-T261 PolarHBondContact O-N 2.82Å; I258-T261 VanDerWaalsContact O-N 3.15Å; I258-T261 PolarHBondContact O-OG1 3.05Å; H259-T261 PolarHBondContact O-N 3.23Å; T261-C263 PolarHBondContact O-N 3.15Å; T261-Q266 WeakPolarHBondContact O-CB 3.44Å; T261-Q266 WeakPolarHBondContact O-CG 3.35Å
262V82.1Confident93.1Very high7 Ų729 Ų294%0.04214%0.143CC..SBendtrans-71.776169.71780000109.5Q172 M174 T256 I295Q172-V262 HydrophobicContact CB-CG1 4.3Å; Q172-V262 HydrophobicContact CB-CG2 4.47Å; Q172-V262 HydrophobicContact CG-CB 4.29Å; Q172-V262 HydrophobicContact CG-CG1 4.5Å; Q172-V262 HydrophobicContact CG-CG2 3.96Å; M174-V262 HydrophobicContact CB-CB 4.17Å; M174-V262 HydrophobicContact CB-CG1 3.93Å; M174-V262 HydrophobicContact CB-CG2 3.83Å; T256-V262 HydrophobicContact CG2-CG2 4.41Å; V262-I295 HydrophobicContact CG1-CD1 3.91Å
263C87.9Confident93Very high11 Ų1129.8 Ų29.87%0.07415%0.149CC..SBendtrans-155.6166.4-17971.10000112.6Q260 T261 E265 Q266 L267Q260-C263 PolarHBondContact O-SG 3.39Å; Q260-C263 VanDerWaalsContact O-SG 3.35Å; T261-C263 PolarHBondContact O-N 3.15Å; C263-E265 VanDerWaalsContact C-N 3.27Å; C263-E265 PolarHBondContact O-N 2.86Å; C263-Q266 PolarHBondContact O-N 2.91Å; C263-L267 PolarHBondContact O-N 3.39Å
264F90.1Very high93Very high4 Ų429.8 Ų29.82%0.01815%0.149CC..Hα-helixtrans-65.9-26.6-177.7-159.8-101.3000113.9L267 K268 D298 L299 T302 V304F264-L267 HydrophobicContact CD2-CD2 3.92Å; F264-L267 HydrophobicContact CE2-CD2 3.85Å; F264-L267 WeakPolarHBondContact O-CB 3.31Å; F264-L267 PolarHBondContact O-N 2.98Å; F264-K268 HydrophobicContact CD1-CD 4.36Å; F264-K268 VanDerWaalsContact CD1-CE 3.44Å; F264-K268 HydrophobicContact CD1-CG 4.45Å; F264-K268 HydrophobicContact CE1-CD 4.43Å; F264-K268 HydrophobicContact CE1-CG 4.4Å; F264-K268 WeakPolarHBondContact O-CG 3.22Å; F264-K268 PolarHBondContact O-N 3.44Å; F264-K268 VanDerWaalsContact O-N 3.11Å; F264-D298 HydrophobicContact CB-CB 3.57Å; F264-D298 WeakPolarHBondContact CB-OD2 3.44Å; F264-D298 HydrophobicContact CD1-CB 4.33Å; F264-D298 HydrophobicContact CD2-CB 3.96Å; F264-D298 HydrophobicContact CG-CB 3.71Å; F264-L299 HydrophobicContact CD2-CD2 4.39Å; F264-L299 HydrophobicContact CE2-CD2 3.89Å; F264-L299 HydrophobicContact CE2-CG 4.37Å; F264-T302 HydrophobicContact CD1-CG2 3.83Å; F264-T302 HydrophobicContact CE1-CG2 3.44Å; F264-T302 VanDerWaalsContact CE1-CG2 3.44Å; F264-T302 HydrophobicContact CZ-CG2 4.37Å; F264-V304 HydrophobicContact CE1-CG2 4.2Å; F264-V304 HydrophobicContact CE2-CG2 4.15Å; F264-V304 HydrophobicContact CZ-CG2 3.57Å
265E92Very high93Very high92 Ų9234.1 Ų34.143%0.4317%0.168SC..Hα-helixtrans-70.9-39.4175.9-67.9-53.9128.500112C263 L267 K268 N269C263-E265 VanDerWaalsContact C-N 3.27Å; C263-E265 PolarHBondContact O-N 2.86Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.13Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 IonicContact OE1-NZ 3.99Å; E265-K268 PolarHBondContact OE1-NZ 3.49Å; E265-K268 IonicContact OE2-NZ 2.66Å; E265-N269 VanDerWaalsContact O-CG 3.27Å; E265-N269 PolarHBondContact O-N 2.94Å; E265-N269 PolarHBondContact O-ND2 3.1Å
266Q95.1Very high93Very high20 Ų2034.1 Ų34.19%0.09317%0.168CC..Hα-helixtrans-64.7-40.2173.4-172.56520.400111.1M174 L209 F254 T261 C263 K268 N269 V270M174-Q266 HydrophobicContact CE-CB 3.94Å; M174-Q266 HydrophobicContact CE-CG 3.58Å; L209-Q266 PolarHBondContact O-NE2 2.94Å; L209-Q266 VanDerWaalsContact O-NE2 3.09Å; F254-Q266 HydrophobicContact CE1-CG 4.38Å; F254-Q266 HydrophobicContact CZ-CG 4.29Å; T261-Q266 WeakPolarHBondContact O-CB 3.44Å; T261-Q266 WeakPolarHBondContact O-CG 3.35Å; C263-Q266 PolarHBondContact O-N 2.91Å; Q266-K268 VanDerWaalsContact C-N 3.32Å; Q266-K268 PolarHBondContact O-N 3.04Å; Q266-N269 PolarHBondContact O-N 3.22Å; Q266-N269 VanDerWaalsContact O-N 3.14Å; Q266-V270 HydrophobicContact CG-CG2 4.25Å; Q266-V270 VanDerWaalsContact O-CG2 3.31Å; Q266-V270 WeakPolarHBondContact O-CG2 3.28Å; Q266-V270 PolarHBondContact O-N 3.19Å
267L95.9Very high93Very high0 Ų040.4 Ų40.40%020%0.195CC..Hα-helixtrans-52.7-49.8172.2170.761.6000111.4I176 C263 F264 E265 N269 V270 V271 F279 F281 V304I176-L267 HydrophobicContact CD1-CB 4.37Å; I176-L267 HydrophobicContact CD1-CD1 3.69Å; I176-L267 HydrophobicContact CG1-CD1 3.98Å; I176-L267 HydrophobicContact CG2-CD1 4.06Å; C263-L267 PolarHBondContact O-N 3.39Å; F264-L267 HydrophobicContact CD2-CD2 3.92Å; F264-L267 HydrophobicContact CE2-CD2 3.85Å; F264-L267 WeakPolarHBondContact O-CB 3.31Å; F264-L267 PolarHBondContact O-N 2.98Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.13Å; L267-N269 PolarHBondContact O-N 3.35Å; L267-V270 PolarHBondContact O-N 3.35Å; L267-V271 HydrophobicContact CD1-CG2 3.83Å; L267-V271 WeakPolarHBondContact O-CB 3.24Å; L267-V271 VanDerWaalsContact O-CG2 3.24Å; L267-V271 WeakPolarHBondContact O-CG2 3.45Å; L267-V271 PolarHBondContact O-N 2.73Å; L267-F279 HydrophobicContact CD1-CD2 4.34Å; L267-F279 HydrophobicContact CD1-CE2 3.78Å; L267-F279 HydrophobicContact CD1-CZ 4.49Å; L267-F281 HydrophobicContact CB-CD2 4.4Å; L267-F281 HydrophobicContact CB-CE2 4.41Å; L267-F281 HydrophobicContact CD1-CB 4.25Å; L267-F281 HydrophobicContact CD1-CD2 3.88Å; L267-F281 HydrophobicContact CD1-CG 4.39Å; L267-F281 HydrophobicContact CD2-CB 4.35Å; L267-F281 HydrophobicContact CD2-CD2 3.87Å; L267-F281 HydrophobicContact CD2-CE2 4.25Å; L267-F281 HydrophobicContact CD2-CG 4.05Å; L267-F281 HydrophobicContact CG-CD2 4.26Å; L267-V304 HydrophobicContact CD2-CG2 4.12Å; L267-V304 HydrophobicContact CG-CG2 4.47Å
268K95.9Very high93Very high41 Ų4142.3 Ų42.318%0.17820%0.201CC..Hα-helixtrans-60.3-44.7176.6-69.9173-174162.30112.1F264 E265 Q266 V271 N272F264-K268 HydrophobicContact CD1-CD 4.36Å; F264-K268 VanDerWaalsContact CD1-CE 3.44Å; F264-K268 HydrophobicContact CD1-CG 4.45Å; F264-K268 HydrophobicContact CE1-CD 4.43Å; F264-K268 HydrophobicContact CE1-CG 4.4Å; F264-K268 WeakPolarHBondContact O-CG 3.22Å; F264-K268 PolarHBondContact O-N 3.44Å; F264-K268 VanDerWaalsContact O-N 3.11Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 IonicContact OE1-NZ 3.99Å; E265-K268 PolarHBondContact OE1-NZ 3.49Å; E265-K268 IonicContact OE2-NZ 2.66Å; Q266-K268 VanDerWaalsContact C-N 3.32Å; Q266-K268 PolarHBondContact O-N 3.04Å; K268-V271 PolarHBondContact O-N 2.97Å; K268-N272 VanDerWaalsContact O-CB 3.24Å; K268-N272 WeakPolarHBondContact O-CB 3.3Å; K268-N272 PolarHBondContact O-N 2.94Å; K268-N272 PolarHBondContact O-ND2 2.99Å; K268-N272 VanDerWaalsContact O-ND2 3.17Å
269N96.2Very high93.2Very high74 Ų7442.2 Ų42.240%0.39620%0.201SC..Hα-helixtrans-60.9-47.3-179.1-69.8-24.4000111.5L209 E265 Q266 L267 N272 C273L209-N269 HydrophobicContact CD2-CB 3.64Å; E265-N269 VanDerWaalsContact O-CG 3.27Å; E265-N269 PolarHBondContact O-N 2.94Å; E265-N269 PolarHBondContact O-ND2 3.1Å; Q266-N269 PolarHBondContact O-N 3.22Å; Q266-N269 VanDerWaalsContact O-N 3.14Å; L267-N269 PolarHBondContact O-N 3.35Å; N269-N272 PolarHBondContact O-N 3.42Å; N269-C273 PolarHBondContact O-N 3.28Å
270V97.9Very high93.8Very high0 Ų038.1 Ų38.10%018%0.182CC..Hα-helixtrans-62.7-48.3177.9175.60000110.7I176 M178 L209 F254 Q266 L267 N272 C273 F274I176-V270 HydrophobicContact CD1-CB 3.77Å; I176-V270 HydrophobicContact CD1-CG1 3.87Å; I176-V270 HydrophobicContact CD1-CG2 3.97Å; M178-V270 HydrophobicContact CE-CG1 3.51Å; M178-V270 HydrophobicContact SD-CG1 3.9Å; L209-V270 HydrophobicContact CD1-CB 4.48Å; L209-V270 HydrophobicContact CD1-CG2 4.04Å; L209-V270 HydrophobicContact CD2-CG2 4.43Å; F254-V270 HydrophobicContact CB-CG1 3.97Å; F254-V270 HydrophobicContact CD1-CG2 4.02Å; F254-V270 HydrophobicContact CD2-CG1 4.11Å; F254-V270 HydrophobicContact CD2-CG2 3.71Å; F254-V270 HydrophobicContact CE1-CG2 3.99Å; F254-V270 HydrophobicContact CE2-CG2 3.65Å; F254-V270 HydrophobicContact CG-CG1 3.97Å; F254-V270 HydrophobicContact CG-CG2 3.92Å; F254-V270 HydrophobicContact CZ-CG2 3.82Å; Q266-V270 HydrophobicContact CG-CG2 4.25Å; Q266-V270 VanDerWaalsContact O-CG2 3.31Å; Q266-V270 WeakPolarHBondContact O-CG2 3.28Å; Q266-V270 PolarHBondContact O-N 3.19Å; L267-V270 PolarHBondContact O-N 3.35Å; V270-N272 VanDerWaalsContact C-N 3.31Å; V270-N272 PolarHBondContact O-N 3.29Å; V270-C273 WeakPolarHBondContact O-CB 3.34Å; V270-C273 PolarHBondContact O-N 2.91Å; V270-C273 VanDerWaalsContact O-N 3.14Å; V270-F274 HydrophobicContact CG1-CD2 4.03Å; V270-F274 HydrophobicContact CG1-CE2 4.25Å; V270-F274 WeakPolarHBondContact O-CD2 3.4Å; V270-F274 PolarHBondContact O-N 2.84Å
271V98.1Very high94.6Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-63.3-36.2178.91710000111.8L267 K268 C273 K275 P276 F279 V304 Y307L267-V271 HydrophobicContact CD1-CG2 3.83Å; L267-V271 WeakPolarHBondContact O-CB 3.24Å; L267-V271 VanDerWaalsContact O-CG2 3.24Å; L267-V271 WeakPolarHBondContact O-CG2 3.45Å; L267-V271 PolarHBondContact O-N 2.73Å; K268-V271 PolarHBondContact O-N 2.97Å; V271-C273 VanDerWaalsContact C-N 3.34Å; V271-K275 VanDerWaalsContact O-CA 3.23Å; V271-K275 WeakPolarHBondContact O-CA 3.43Å; V271-K275 PolarHBondContact O-N 2.83Å; V271-P276 HydrophobicContact CG1-CG 4.41Å; V271-F279 HydrophobicContact CB-CE1 4.43Å; V271-F279 HydrophobicContact CG1-CD1 4.35Å; V271-F279 HydrophobicContact CG1-CE1 3.76Å; V271-F279 HydrophobicContact CG1-CZ 4.28Å; V271-F279 HydrophobicContact CG2-CD1 4.03Å; V271-F279 HydrophobicContact CG2-CD2 4.19Å; V271-F279 HydrophobicContact CG2-CE1 3.7Å; V271-F279 HydrophobicContact CG2-CE2 3.91Å; V271-F279 HydrophobicContact CG2-CG 4.25Å; V271-F279 HydrophobicContact CG2-CZ 3.65Å; V271-V304 HydrophobicContact CB-CG1 4.41Å; V271-V304 HydrophobicContact CG1-CG1 4Å; V271-Y307 HydrophobicContact CG1-CD2 3.96Å; V271-Y307 HydrophobicContact CG1-CE1 4.23Å; V271-Y307 HydrophobicContact CG1-CE2 3.29Å; V271-Y307 VanDerWaalsContact CG1-CZ 3.45Å
272N96.9Very high95.4Very high93 Ų9330.9 Ų30.950%0.49715%0.146SC..Hα-helixtrans-70-30.7176.2-75.2-25.6000112.8K268 N269 V270 K275K268-N272 VanDerWaalsContact O-CB 3.24Å; K268-N272 WeakPolarHBondContact O-CB 3.3Å; K268-N272 PolarHBondContact O-N 2.94Å; K268-N272 PolarHBondContact O-ND2 2.99Å; K268-N272 VanDerWaalsContact O-ND2 3.17Å; N269-N272 PolarHBondContact O-N 3.42Å; V270-N272 VanDerWaalsContact C-N 3.31Å; V270-N272 PolarHBondContact O-N 3.29Å; N272-K275 WeakPolarHBondContact O-CG 3.48Å
273C97.7Very high96.1Very high17 Ų1730.5 Ų30.512%0.11514%0.144CC..Hα-helixtrans-66.2-50175.4-170.50000111.1T185 L209 N269 V270 V271T185-C273 WeakPolarHBondContact CG2-O 3.42Å; T185-C273 PolarHBondContact OG1-O 2.98Å; L209-C273 HydrophobicContact CD1-CB 3.95Å; L209-C273 HydrophobicContact CD2-CB 4.44Å; N269-C273 PolarHBondContact O-N 3.28Å; V270-C273 WeakPolarHBondContact O-CB 3.34Å; V270-C273 PolarHBondContact O-N 2.91Å; V270-C273 VanDerWaalsContact O-N 3.14Å; V271-C273 VanDerWaalsContact C-N 3.34Å
274F98Very high96.4Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-97.4-19.1-171.4-64.7-68.4000115.2M178 L181 D182 T185 M186 F189 L206 L209 V241 I243 V252 V270 P276M178-F274 HydrophobicContact CE-CD2 3.64Å; M178-F274 HydrophobicContact CE-CE2 4.17Å; M178-F274 HydrophobicContact CE-CG 4.29Å; M178-F274 HydrophobicContact SD-CB 3.93Å; M178-F274 HydrophobicContact SD-CD2 3.96Å; M178-F274 HydrophobicContact SD-CG 4.29Å; L181-F274 HydrophobicContact CD1-CB 4.43Å; D182-F274 PolarHBondContact N-O 2.71Å; T185-F274 HydrophobicContact CG2-CD1 3.93Å; T185-F274 HydrophobicContact CG2-CE1 4.38Å; M186-F274 HydrophobicContact CE-CD1 3.57Å; M186-F274 HydrophobicContact CE-CE1 4.04Å; F189-F274 HydrophobicContact CE2-CE1 4.36Å; F189-F274 HydrophobicContact CZ-CE1 4.44Å; L206-F274 HydrophobicContact CD1-CE2 4.24Å; L206-F274 HydrophobicContact CD1-CZ 3.82Å; L209-F274 HydrophobicContact CD1-CE2 4.28Å; V241-F274 HydrophobicContact CG1-CZ 4.25Å; I243-F274 HydrophobicContact CD1-CE1 3.86Å; I243-F274 HydrophobicContact CD1-CZ 4.07Å; V252-F274 HydrophobicContact CG1-CD1 4.38Å; V252-F274 HydrophobicContact CG1-CD2 4.17Å; V252-F274 HydrophobicContact CG1-CE1 4.14Å; V252-F274 HydrophobicContact CG1-CE2 3.92Å; V252-F274 HydrophobicContact CG1-CG 4.37Å; V252-F274 HydrophobicContact CG1-CZ 3.89Å; V252-F274 HydrophobicContact CG2-CD1 3.98Å; V252-F274 HydrophobicContact CG2-CE1 4.12Å; V252-F274 HydrophobicContact CG2-CG 4.41Å; V270-F274 HydrophobicContact CG1-CD2 4.03Å; V270-F274 HydrophobicContact CG1-CE2 4.25Å; V270-F274 WeakPolarHBondContact O-CD2 3.4Å; V270-F274 PolarHBondContact O-N 2.84Å; F274-P276 VanDerWaalsContact C-CD 3.45Å
275K97.5Very high96.7Very high93 Ų9330.8 Ų30.840%0.40414%0.144SC..  trans47.346.9177.1-52.8170.1-170.5161.90114.5D182 V271 N272 Y307 K329D182-K275 HydrophobicContact CB-CB 3.92Å; D182-K275 HydrophobicContact CB-CD 4.29Å; V271-K275 VanDerWaalsContact O-CA 3.23Å; V271-K275 WeakPolarHBondContact O-CA 3.43Å; V271-K275 PolarHBondContact O-N 2.83Å; N272-K275 WeakPolarHBondContact O-CG 3.48Å; K275-Y307 VanDerWaalsContact C-OH 3.26Å; K275-Y307 WeakPolarHBondContact CA-OH 3.33Å; K275-K329 PolarHBondContact O-NZ 2.87Å
276P97.8Very high96.7Very high0 Ų027.7 Ų27.70%013%0.131CC..  trans-53.4158.1-17821.5-33.6000114M178 L181 V271 F274 R278 F279 Y307M178-P276 HydrophobicContact CB-CB 3.97Å; M178-P276 HydrophobicContact CB-CG 4.11Å; M178-P276 HydrophobicContact CG-CB 4.43Å; M178-P276 HydrophobicContact CG-CG 4.02Å; M178-P276 HydrophobicContact SD-CG 4.18Å; L181-P276 HydrophobicContact CD1-CB 3.58Å; L181-P276 HydrophobicContact CD1-CG 4.48Å; V271-P276 HydrophobicContact CG1-CG 4.41Å; F274-P276 VanDerWaalsContact C-CD 3.45Å; P276-R278 VanDerWaalsContact C-N 3.35Å; P276-R278 WeakPolarHBondContact CB-O 3.37Å; P276-F279 HydrophobicContact CG-CB 4.18Å; P276-F279 HydrophobicContact CG-CD1 3.73Å; P276-F279 HydrophobicContact CG-CG 4.33Å; P276-Y307 WeakPolarHBondContact CD-OH 3.49Å; P276-Y307 HydrophobicContact CG-CE1 4.29Å; P276-Y307 WeakPolarHBondContact O-CE1 3.46Å; P276-Y307 PolarHBondContact O-OH 3.42Å
277K97.1Very high96.6Very high133 Ų13332.3 Ų32.358%0.57815%0.151SC*.SBendtrans-75.8-27.8162.4-64-177.8-173.8170.70112.2S179 D180 K329S179-K277 PolarHBondContact O-N 2.85Å; D180-K277 HydrophobicContact CB-CB 3.88Å; D180-K277 HydrophobicContact CB-CD 3.75Å; D180-K277 HydrophobicContact CB-CG 3.86Å; D180-K277 WeakPolarHBondContact O-CG 3.36Å; D180-K277 PolarHBondContact O-N 3.13Å; K277-K329 WeakPolarHBondContact O-CB 3.34Å; K277-K329 PolarHBondContact O-N 3.19Å
278R96.7Very high96.4Very high56 Ų5634.5 Ų34.521%0.21117%0.173CC..EExtended strand (participates in β ladder)trans-153.4150.9177.560.8178.8-177.2-83.4-12.6111.5D153 S179 D180 P276 Y326 F327 V328D153-R278 WeakPolarHBondContact OD2-CD 3.12Å; D153-R278 IonicContact OD2-NE 3.53Å; D153-R278 PolarHBondContact OD2-NE 2.82Å; S179-R278 PolarHBondContact N-O 2.74Å; S179-R278 PolarHBondContact O-N 2.72Å; D180-R278 IonicContact OD2-CZ 2.75Å; D180-R278 IonicContact OD2-NH1 3.39Å; D180-R278 PolarHBondContact OD2-NH1 2.89Å; D180-R278 IonicContact OD2-NH2 2.93Å; P276-R278 VanDerWaalsContact C-N 3.35Å; P276-R278 WeakPolarHBondContact CB-O 3.37Å; R278-Y326 HydrophobicContact CB-CE2 4.19Å; R278-Y326 VanDerWaalsContact CD-OH 3.24Å; R278-Y326 WeakPolarHBondContact CD-OH 3.23Å; R278-F327 CarbonylContact C-O 3.58Å; R278-F327 VanDerWaalsContact CA-O 3.24Å; R278-F327 WeakPolarHBondContact CA-O 3.4Å; R278-V328 HydrophobicContact CB-CG1 4.01Å
279F97.9Very high96.2Very high1 Ų133.4 Ų33.40%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-152.2153175.764.6-90.3000112.4I176 L177 M178 L267 V271 P276 V304 Y307 Y326 F327I176-F279 HydrophobicContact CG2-CD2 4.19Å; L177-F279 CarbonylContact O-C 3.55Å; L177-F279 WeakPolarHBondContact O-CA 3.31Å; L177-F279 WeakPolarHBondContact O-CB 3.42Å; M178-F279 HydrophobicContact CB-CB 4.25Å; M178-F279 HydrophobicContact CG-CB 3.73Å; L267-F279 HydrophobicContact CD1-CD2 4.34Å; L267-F279 HydrophobicContact CD1-CE2 3.78Å; L267-F279 HydrophobicContact CD1-CZ 4.49Å; V271-F279 HydrophobicContact CB-CE1 4.43Å; V271-F279 HydrophobicContact CG1-CD1 4.35Å; V271-F279 HydrophobicContact CG1-CE1 3.76Å; V271-F279 HydrophobicContact CG1-CZ 4.28Å; V271-F279 HydrophobicContact CG2-CD1 4.03Å; V271-F279 HydrophobicContact CG2-CD2 4.19Å; V271-F279 HydrophobicContact CG2-CE1 3.7Å; V271-F279 HydrophobicContact CG2-CE2 3.91Å; V271-F279 HydrophobicContact CG2-CG 4.25Å; V271-F279 HydrophobicContact CG2-CZ 3.65Å; P276-F279 HydrophobicContact CG-CB 4.18Å; P276-F279 HydrophobicContact CG-CD1 3.73Å; P276-F279 HydrophobicContact CG-CG 4.33Å; F279-V304 HydrophobicContact CZ-CG1 4.19Å; F279-V304 HydrophobicContact CZ-CG2 4.4Å; F279-Y307 HydrophobicContact CD1-CD1 4.03Å; F279-Y307 AromaticContact CD1-CE1 3.96Å; F279-Y307 HydrophobicContact CD1-CE1 3.96Å; F279-Y307 AromaticContact CE1-CD1 3.45Å; F279-Y307 HydrophobicContact CE1-CD1 3.45Å; F279-Y307 VanDerWaalsContact CE1-CD1 3.45Å; F279-Y307 HydrophobicContact CE1-CD2 4.32Å; F279-Y307 AromaticContact CE1-CE1 3.69Å; F279-Y307 HydrophobicContact CE1-CE1 3.69Å; F279-Y307 AromaticContact CE1-CG 3.8Å; F279-Y307 HydrophobicContact CE1-CG 3.8Å; F279-Y326 WeakPolarHBondContact O-CD2 3.31Å; F279-F327 HydrophobicContact CD1-CB 3.87Å; F279-F327 HydrophobicContact CD2-CB 4.06Å; F279-F327 AromaticContact CD2-CD2 3.85Å; F279-F327 HydrophobicContact CD2-CD2 3.85Å; F279-F327 HydrophobicContact CD2-CG 4.28Å; F279-F327 HydrophobicContact CE1-CB 3.43Å; F279-F327 VanDerWaalsContact CE1-CB 3.43Å; F279-F327 HydrophobicContact CE1-CG 4.04Å; F279-F327 HydrophobicContact CE2-CB 3.6Å; F279-F327 HydrophobicContact CE2-CD1 4.36Å; F279-F327 AromaticContact CE2-CD2 3.14Å; F279-F327 HydrophobicContact CE2-CD2 3.14Å; F279-F327 AromaticContact CE2-CE2 3.8Å; F279-F327 HydrophobicContact CE2-CE2 3.8Å; F279-F327 AromaticContact CE2-CG 3.47Å; F279-F327 HydrophobicContact CE2-CG 3.47Å; F279-F327 VanDerWaalsContact CE2-CG 3.47Å; F279-F327 HydrophobicContact CG-CB 4.18Å; F279-F327 HydrophobicContact CZ-CB 3.27Å; F279-F327 AromaticContact CZ-CD1 3.94Å; F279-F327 HydrophobicContact CZ-CD1 3.94Å; F279-F327 AromaticContact CZ-CD2 3.57Å; F279-F327 HydrophobicContact CZ-CD2 3.57Å; F279-F327 HydrophobicContact CZ-CE2 4.31Å; F279-F327 AromaticContact CZ-CG 3.33Å; F279-F327 HydrophobicContact CZ-CG 3.33Å; F279-F327 PolarHBondContact N-O 3.31Å; F279-F327 PolarHBondContact O-N 3.19Å
280I97.7Very high96Very high2 Ų236.3 Ų36.31%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-100.3137.6165.9-69.1165.2000107.6K113 D153 W155 I176 L177 T282 Y324 S325 Y326K113-I280 HydrophobicContact CD-CD1 4.04Å; K113-I280 HydrophobicContact CG-CD1 3.91Å; D153-I280 HydrophobicContact CB-CD1 3.9Å; D153-I280 HydrophobicContact CB-CG1 4.49Å; W155-I280 HydrophobicContact CB-CD1 4.44Å; I176-I280 CarbonylContact C-O 3.58Å; I176-I280 WeakPolarHBondContact CA-O 3.36Å; L177-I280 HydrophobicContact CB-CB 4.31Å; L177-I280 PolarHBondContact N-O 2.93Å; L177-I280 PolarHBondContact O-N 2.95Å; I280-T282 HydrophobicContact CG2-CG2 3.77Å; I280-Y324 HydrophobicContact CB-CE2 4.38Å; I280-Y324 HydrophobicContact CD1-CE2 4.02Å; I280-Y324 HydrophobicContact CG1-CE2 3.98Å; I280-Y324 HydrophobicContact CG2-CD2 3.77Å; I280-Y324 HydrophobicContact CG2-CE2 3.51Å; I280-S325 WeakPolarHBondContact CA-O 3.36Å; I280-Y326 HydrophobicContact CG1-CD2 3.78Å; I280-Y326 HydrophobicContact CG1-CE2 4.4Å
281F97.6Very high95.7Very high1 Ų138.1 Ų38.10%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-112.2127.9164.9165.6-96.1000108.2M174 I176 L267 A283 I295 L299 V323 Y324 S325 F327M174-F281 HydrophobicContact CG-CD2 4.13Å; M174-F281 HydrophobicContact CG-CE2 3.52Å; M174-F281 HydrophobicContact CG-CZ 4.38Å; M174-F281 HydrophobicContact SD-CD2 4.42Å; M174-F281 HydrophobicContact SD-CE2 3.64Å; I176-F281 HydrophobicContact CG1-CD2 4.24Å; L267-F281 HydrophobicContact CB-CD2 4.4Å; L267-F281 HydrophobicContact CB-CE2 4.41Å; L267-F281 HydrophobicContact CD1-CB 4.25Å; L267-F281 HydrophobicContact CD1-CD2 3.88Å; L267-F281 HydrophobicContact CD1-CG 4.39Å; L267-F281 HydrophobicContact CD2-CB 4.35Å; L267-F281 HydrophobicContact CD2-CD2 3.87Å; L267-F281 HydrophobicContact CD2-CE2 4.25Å; L267-F281 HydrophobicContact CD2-CG 4.05Å; L267-F281 HydrophobicContact CG-CD2 4.26Å; F281-A283 HydrophobicContact CE1-CB 4.02Å; F281-A283 HydrophobicContact CZ-CB 3.79Å; F281-I295 HydrophobicContact CE1-CG2 4Å; F281-I295 HydrophobicContact CZ-CG2 4.14Å; F281-L299 HydrophobicContact CD1-CD1 4.42Å; F281-L299 HydrophobicContact CD1-CD2 4.49Å; F281-L299 HydrophobicContact CE1-CD1 4.05Å; F281-V323 HydrophobicContact CE1-CG1 4.37Å; F281-Y324 CarbonylContact O-C 3.51Å; F281-Y324 WeakPolarHBondContact O-CA 3.42Å; F281-S325 VanDerWaalsContact CD1-OG 3.32Å; F281-S325 WeakPolarHBondContact CD1-OG 3.27Å; F281-S325 PolarHBondContact N-O 2.73Å; F281-S325 PolarHBondContact O-N 3.07Å; F281-F327 HydrophobicContact CB-CE2 4.27Å
282T96.9Very high95.4Very high3 Ų338.7 Ų38.72%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-122146.9166.568.40000110.9W155 M174 E175 I280 V323 Y324W155-T282 HydrophobicContact CD2-CG2 3.91Å; W155-T282 HydrophobicContact CE3-CG2 4.41Å; W155-T282 HydrophobicContact CG-CG2 4.03Å; W155-T282 HydrophobicContact CZ2-CG2 4.49Å; M174-T282 WeakPolarHBondContact CA-O 3.43Å; E175-T282 WeakPolarHBondContact CB-OG1 3.34Å; E175-T282 PolarHBondContact N-O 2.8Å; E175-T282 PolarHBondContact O-N 2.84Å; I280-T282 HydrophobicContact CG2-CG2 3.77Å; T282-V323 CarbonylContact C-O 3.54Å; T282-V323 WeakPolarHBondContact CA-O 3.45Å; T282-Y324 HydrophobicContact CG2-CD2 4.07Å
283A96.4Very high95.3Very high0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-137.8121.316900000109.8T173 F281 I295 L322 V323T173-A283 CarbonylContact O-C 3.45Å; T173-A283 VanDerWaalsContact O-CA 3.28Å; T173-A283 WeakPolarHBondContact O-CA 3.47Å; F281-A283 HydrophobicContact CE1-CB 4.02Å; F281-A283 HydrophobicContact CZ-CB 3.79Å; A283-I295 HydrophobicContact CB-CD1 3.78Å; A283-I295 HydrophobicContact CB-CG2 4.45Å; A283-L322 WeakPolarHBondContact O-CA 3.45Å; A283-V323 HydrophobicContact CB-CB 4.33Å; A283-V323 PolarHBondContact N-O 2.69Å; A283-V323 PolarHBondContact O-N 3.07Å
284F95.2Very high95.1Very high21 Ų2145.8 Ų45.89%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-89.3130.4161.4-84.6-95.6000108.5F109 W155 L157 Q172 T173 L317 H320 L322F109-F284 HydrophobicContact CD1-CE1 4.2Å; F109-F284 HydrophobicContact CD1-CZ 4.46Å; F109-F284 HydrophobicContact CE1-CD1 4.43Å; F109-F284 HydrophobicContact CE1-CE1 4.11Å; W155-F284 AromaticContact CH2-CE2 3.6Å; W155-F284 HydrophobicContact CH2-CE2 3.6Å; W155-F284 HydrophobicContact CH2-CZ 4.1Å; W155-F284 HydrophobicContact CZ2-CE2 4.38Å; W155-F284 HydrophobicContact CZ3-CE2 4.25Å; L157-F284 HydrophobicContact CD1-CZ 3.76Å; L157-F284 HydrophobicContact CD2-CE1 4.14Å; L157-F284 HydrophobicContact CD2-CZ 3.59Å; L157-F284 HydrophobicContact CG-CZ 4.26Å; Q172-F284 CarbonylContact C-O 3.48Å; Q172-F284 WeakPolarHBondContact CA-O 3.29Å; T173-F284 PolarHBondContact N-O 3.49Å; T173-F284 PolarHBondContact O-N 3.02Å; F284-L317 HydrophobicContact CE1-CD1 4.15Å; F284-H320 HydrophobicContact CD1-CB 4.33Å; F284-L322 HydrophobicContact CD1-CB 4.26Å; F284-L322 HydrophobicContact CD2-CD1 3.62Å; F284-L322 HydrophobicContact CE1-CB 3.96Å; F284-L322 HydrophobicContact CE1-CD2 4.36Å; F284-L322 HydrophobicContact CE2-CB 4.35Å; F284-L322 HydrophobicContact CE2-CD1 3.41Å; F284-L322 VanDerWaalsContact CE2-CD1 3.41Å; F284-L322 HydrophobicContact CE2-CD2 3.88Å; F284-L322 HydrophobicContact CE2-CG 4.08Å; F284-L322 HydrophobicContact CG-CD1 4.27Å; F284-L322 HydrophobicContact CZ-CB 4.02Å; F284-L322 HydrophobicContact CZ-CD1 3.92Å; F284-L322 HydrophobicContact CZ-CD2 3.64Å; F284-L322 HydrophobicContact CZ-CG 4.07Å
285V95.1Very high94.8Very high0 Ų046 Ų460%021%0.211CC..EExtended strand (participates in β ladder)trans-144.9149.4176.9-71.10000109.4Q172 K287 E291 Q292 I295 H320 T321Q172-V285 HydrophobicContact CB-CG1 4.1Å; V285-K287 PolarHBondContact O-N 3.41Å; V285-E291 HydrophobicContact CG1-CB 4.05Å; V285-Q292 HydrophobicContact CB-CB 4.39Å; V285-Q292 HydrophobicContact CG2-CB 3.61Å; V285-Q292 HydrophobicContact CG2-CG 3.81Å; V285-I295 HydrophobicContact CG1-CD1 3.87Å; V285-H320 CarbonylContact O-C 3.44Å; V285-H320 WeakPolarHBondContact O-CA 3.19Å; V285-T321 WeakPolarHBondContact CG2-O 3.47Å; V285-T321 PolarHBondContact N-O 2.81Å; V285-T321 VanDerWaalsContact N-O 3.11Å; V285-T321 PolarHBondContact O-N 3.38Å
286N94Very high94.6Very high26 Ų2643.4 Ų43.414%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-55.8139.6172.8-67.2115.7000111.5I167 P168 N170 D171 G288 S289I167-N286 WeakPolarHBondContact CG2-ND2 3.14Å; P168-N286 PolarHBondContact O-ND2 2.88Å; N170-N286 VanDerWaalsContact C-OD1 3.27Å; N170-N286 WeakPolarHBondContact CA-OD1 3.2Å; N170-N286 PolarHBondContact N-OD1 3.22Å; D171-N286 PolarHBondContact N-OD1 2.97Å; D171-N286 PolarHBondContact O-N 2.81Å; D171-N286 PolarHBondContact O-OD1 3.41Å; N286-G288 PolarHBondContact O-N 3.4Å; N286-S289 WeakPolarHBondContact O-CB 3.5Å; N286-S289 PolarHBondContact O-N 3.01Å; N286-S289 PolarHBondContact O-OG 3.34Å
287K92.4Very high94.5Very high118 Ų11850.3 Ų50.351%0.51323%0.228SC..THydrogen-bonded Turntrans-63.5128.7176.8-178.7-177.7176.8-179.70110.6V285 S289 P318 N319V285-K287 PolarHBondContact O-N 3.41Å; K287-S289 VanDerWaalsContact C-N 3.29Å; K287-P318 VanDerWaalsContact CD-O 3.26Å; K287-P318 WeakPolarHBondContact CD-O 3.46Å; K287-N319 WeakPolarHBondContact CB-O 3.27Å; K287-N319 PolarHBondContact N-O 2.58Å
288G91.1Very high94.3Very high46 Ų4645.2 Ų45.247%0.47421%0.207SC..THydrogen-bonded Turntrans80.53.7179.300000114.6N286 R293N286-G288 PolarHBondContact O-N 3.4Å; G288-R293 PolarHBondContact O-NH1 3.49Å
289S92.4Very high94.1Very high18 Ų1842.8 Ų42.813%0.12620%0.198CC..  trans-70.4167.1178.590.90000112.5N286 K287 E291 Q292 R293N286-S289 WeakPolarHBondContact O-CB 3.5Å; N286-S289 PolarHBondContact O-N 3.01Å; N286-S289 PolarHBondContact O-OG 3.34Å; K287-S289 VanDerWaalsContact C-N 3.29Å; S289-E291 WeakPolarHBondContact CB-OE2 3.34Å; S289-E291 PolarHBondContact OG-N 2.85Å; S289-E291 PolarHBondContact OG-OE2 2.87Å; S289-Q292 PolarHBondContact OG-N 3.49Å; S289-R293 PolarHBondContact O-N 3.12Å; S289-R293 PolarHBondContact O-NH1 2.85Å
290E91.4Very high93.9Very high135 Ų13546.3 Ų46.363%0.63123%0.227SC*.Hα-helixtrans-69.2-38.4175.5-173.7175.9164.700111.5Q292 R293 R294E290-Q292 VanDerWaalsContact C-N 3.3Å; E290-Q292 PolarHBondContact O-N 3.36Å; E290-R293 PolarHBondContact O-N 2.95Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E290-R294 WeakPolarHBondContact O-CB 3.48Å; E290-R294 PolarHBondContact O-N 2.94Å
291E91.1Very high93.6Very high38 Ų3851 Ų5118%0.17825%0.252CS..Hα-helixtrans-57.7-44.7176.8-58.669.3-149.900110.3H259 V285 S289 R293 R294 I295H259-E291 IonicContact NE2-OE1 3.94Å; V285-E291 HydrophobicContact CG1-CB 4.05Å; S289-E291 WeakPolarHBondContact CB-OE2 3.34Å; S289-E291 PolarHBondContact OG-N 2.85Å; S289-E291 PolarHBondContact OG-OE2 2.87Å; E291-R293 PolarHBondContact O-N 3.4Å; E291-R294 PolarHBondContact O-N 3.47Å; E291-I295 WeakPolarHBondContact O-CB 3.43Å; E291-I295 WeakPolarHBondContact O-CG1 3.39Å; E291-I295 PolarHBondContact O-N 3.37Å
292Q92.7Very high93.2Very high11 Ų1153.2 Ų53.25%0.05127%0.266CS..Hα-helixtrans-57.2-51.2174.9-170.8-142.5-6400111.7V285 S289 E290 R294 I295 E296 T321V285-Q292 HydrophobicContact CB-CB 4.39Å; V285-Q292 HydrophobicContact CG2-CB 3.61Å; V285-Q292 HydrophobicContact CG2-CG 3.81Å; S289-Q292 PolarHBondContact OG-N 3.49Å; E290-Q292 VanDerWaalsContact C-N 3.3Å; E290-Q292 PolarHBondContact O-N 3.36Å; Q292-R294 VanDerWaalsContact C-N 3.28Å; Q292-R294 PolarHBondContact O-N 3.43Å; Q292-I295 PolarHBondContact O-N 3.32Å; Q292-E296 PolarHBondContact NE2-OE1 3.17Å; Q292-E296 PolarHBondContact NE2-OE2 2.8Å; Q292-E296 WeakPolarHBondContact O-CB 3.43Å; Q292-E296 VanDerWaalsContact O-CG 3.25Å; Q292-E296 WeakPolarHBondContact O-CG 3.49Å; Q292-E296 PolarHBondContact O-N 3.32Å; Q292-T321 HydrophobicContact CG-CG2 4.17Å; Q292-T321 PolarHBondContact OE1-OG1 2.77Å
293R94Very high92.8Very high136 Ų13658.3 Ų58.351%0.51330%0.297SS..Hα-helixtrans-61.1-40.5179.6-72-174.1-69.6-80.9-0.2111.5G288 S289 E290 E291 Y297G288-R293 PolarHBondContact O-NH1 3.49Å; S289-R293 PolarHBondContact O-N 3.12Å; S289-R293 PolarHBondContact O-NH1 2.85Å; E290-R293 PolarHBondContact O-N 2.95Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E291-R293 PolarHBondContact O-N 3.4Å; R293-Y297 WeakPolarHBondContact O-CB 3.29Å; R293-Y297 PolarHBondContact O-N 2.96Å
294R93.4Very high92.6Very high124 Ų12458.5 Ų58.547%0.46830%0.298SS..Hα-helixtrans-66.1-48.8-179.5-175.1177.8175.9-173.6-0.9111.8E290 E291 Q292 E296 Y297 D298E290-R294 WeakPolarHBondContact O-CB 3.48Å; E290-R294 PolarHBondContact O-N 2.94Å; E291-R294 PolarHBondContact O-N 3.47Å; Q292-R294 VanDerWaalsContact C-N 3.28Å; Q292-R294 PolarHBondContact O-N 3.43Å; R294-E296 PolarHBondContact O-N 2.91Å; R294-Y297 PolarHBondContact O-N 2.96Å; R294-D298 WeakPolarHBondContact O-CB 3.41Å; R294-D298 VanDerWaalsContact O-CG 3.27Å; R294-D298 PolarHBondContact O-N 2.84Å
295I92.8Very high92.5Very high4 Ų460 Ų602%0.02132%0.32CS..Hα-helixtrans-62.6-44.7178.7-69171.6000110.7V262 F281 A283 V285 E291 Q292 Y297 D298 L299 V323V262-I295 HydrophobicContact CG1-CD1 3.91Å; F281-I295 HydrophobicContact CE1-CG2 4Å; F281-I295 HydrophobicContact CZ-CG2 4.14Å; A283-I295 HydrophobicContact CB-CD1 3.78Å; A283-I295 HydrophobicContact CB-CG2 4.45Å; V285-I295 HydrophobicContact CG1-CD1 3.87Å; E291-I295 WeakPolarHBondContact O-CB 3.43Å; E291-I295 WeakPolarHBondContact O-CG1 3.39Å; E291-I295 PolarHBondContact O-N 3.37Å; Q292-I295 PolarHBondContact O-N 3.32Å; I295-Y297 VanDerWaalsContact C-N 3.34Å; I295-Y297 PolarHBondContact O-N 2.52Å; I295-D298 PolarHBondContact O-N 2.89Å; I295-L299 HydrophobicContact CG2-CD1 3.85Å; I295-L299 WeakPolarHBondContact O-CB 3.36Å; I295-L299 WeakPolarHBondContact O-CG 3.25Å; I295-L299 PolarHBondContact O-N 3.25Å; I295-V323 HydrophobicContact CG2-CB 4.4Å; I295-V323 HydrophobicContact CG2-CG1 4.24Å; I295-V323 HydrophobicContact CG2-CG2 4.09Å
296E93.6Very high92.5Very high38 Ų3862.5 Ų62.518%0.17835%0.345CS..Hα-helixtrans-61.3-43.6176.9-73179.1162.100111.6Q292 R294 A300 Y314 R316Q292-E296 PolarHBondContact NE2-OE1 3.17Å; Q292-E296 PolarHBondContact NE2-OE2 2.8Å; Q292-E296 WeakPolarHBondContact O-CB 3.43Å; Q292-E296 VanDerWaalsContact O-CG 3.25Å; Q292-E296 WeakPolarHBondContact O-CG 3.49Å; Q292-E296 PolarHBondContact O-N 3.32Å; R294-E296 PolarHBondContact O-N 2.91Å; E296-A300 WeakPolarHBondContact O-CB 3.36Å; E296-A300 PolarHBondContact O-N 3.26Å; E296-A300 VanDerWaalsContact O-N 3.14Å; E296-Y314 HydrophobicContact CG-CD1 4.18Å; E296-Y314 HydrophobicContact CG-CE1 3.6Å; E296-R316 IonicContact OE1-CZ 3.48Å; E296-R316 IonicContact OE1-NH2 3.8Å; E296-R316 PolarHBondContact OE1-NH2 2.68Å; E296-R316 IonicContact OE2-NH2 2.72Å; E296-R316 PolarHBondContact OE2-NH2 3.02Å
297Y94.9Very high92.6Very high146 Ų14662.4 Ų62.457%0.57334%0.343SS*.Hα-helixtrans-62.9-48.2175.8-179.3-88.1000111.8R293 R294 I295 L299 A300 N301R293-Y297 WeakPolarHBondContact O-CB 3.29Å; R293-Y297 PolarHBondContact O-N 2.96Å; R294-Y297 PolarHBondContact O-N 2.96Å; I295-Y297 VanDerWaalsContact C-N 3.34Å; I295-Y297 PolarHBondContact O-N 2.52Å; Y297-L299 PolarHBondContact O-N 3.09Å; Y297-A300 PolarHBondContact O-N 3.17Å; Y297-N301 WeakPolarHBondContact CD2-ND2 3.3Å; Y297-N301 HydrophobicContact CE1-CB 4.14Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.33Å; Y297-N301 WeakPolarHBondContact O-CB 3.41Å; Y297-N301 PolarHBondContact O-N 3.24Å; Y297-N301 PolarHBondContact O-ND2 3.42Å
298D93.6Very high92.8Very high25 Ų2561.9 Ų61.913%0.13434%0.338CS..Hα-helixtrans-64.1-42.3-176.9-73.1-19.6000111.1F264 R294 I295 A300 N301 T302F264-D298 HydrophobicContact CB-CB 3.57Å; F264-D298 WeakPolarHBondContact CB-OD2 3.44Å; F264-D298 HydrophobicContact CD1-CB 4.33Å; F264-D298 HydrophobicContact CD2-CB 3.96Å; F264-D298 HydrophobicContact CG-CB 3.71Å; R294-D298 WeakPolarHBondContact O-CB 3.41Å; R294-D298 VanDerWaalsContact O-CG 3.27Å; R294-D298 PolarHBondContact O-N 2.84Å; I295-D298 PolarHBondContact O-N 2.89Å; D298-A300 VanDerWaalsContact C-N 3.32Å; D298-A300 PolarHBondContact O-N 3.12Å; D298-N301 PolarHBondContact O-N 3.45Å; D298-T302 VanDerWaalsContact O-CA 3.3Å; D298-T302 WeakPolarHBondContact O-CA 3.42Å; D298-T302 WeakPolarHBondContact O-CB 3.28Å; D298-T302 PolarHBondContact O-N 3.04Å; D298-T302 PolarHBondContact O-OG1 3.2Å
299L92Very high92.9Very high6 Ų663.5 Ų63.53%0.03133%0.334CS..Hα-helixtrans-65-34.3176-77.6166.4000113.3F264 F281 I295 Y297 M309 V323 F327F264-L299 HydrophobicContact CD2-CD2 4.39Å; F264-L299 HydrophobicContact CE2-CD2 3.89Å; F264-L299 HydrophobicContact CE2-CG 4.37Å; F281-L299 HydrophobicContact CD1-CD1 4.42Å; F281-L299 HydrophobicContact CD1-CD2 4.49Å; F281-L299 HydrophobicContact CE1-CD1 4.05Å; I295-L299 HydrophobicContact CG2-CD1 3.85Å; I295-L299 WeakPolarHBondContact O-CB 3.36Å; I295-L299 WeakPolarHBondContact O-CG 3.25Å; I295-L299 PolarHBondContact O-N 3.25Å; Y297-L299 PolarHBondContact O-N 3.09Å; L299-M309 HydrophobicContact CD2-SD 4.11Å; L299-V323 HydrophobicContact CD1-CG1 3.29Å; L299-F327 HydrophobicContact CD2-CE2 4.42Å; L299-F327 HydrophobicContact CD2-CZ 3.89Å
300A92.6Very high93Very high74 Ų7465.4 Ų65.461%0.61234%0.343SS*.Hα-helixtrans-78.1-31179.100000113E296 Y297 D298E296-A300 WeakPolarHBondContact O-CB 3.36Å; E296-A300 PolarHBondContact O-N 3.26Å; E296-A300 VanDerWaalsContact O-N 3.14Å; Y297-A300 PolarHBondContact O-N 3.17Å; D298-A300 VanDerWaalsContact C-N 3.32Å; D298-A300 PolarHBondContact O-N 3.12Å
301N92.3Very high93.1Very high102 Ų10260.1 Ų60.155%0.54532%0.319SS..Hα-helixtrans-117.5-7.5-168-61.7-78.1000114.5Y297 D298Y297-N301 WeakPolarHBondContact CD2-ND2 3.3Å; Y297-N301 HydrophobicContact CE1-CB 4.14Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.33Å; Y297-N301 WeakPolarHBondContact O-CB 3.41Å; Y297-N301 PolarHBondContact O-N 3.24Å; Y297-N301 PolarHBondContact O-ND2 3.42Å; D298-N301 PolarHBondContact O-N 3.45Å
302T88.3Confident93.3Very high47 Ų4760.3 Ų60.329%0.28832%0.324SS..  trans-125.1151.4-175.3-42.40000111F264 D298F264-T302 HydrophobicContact CD1-CG2 3.83Å; F264-T302 HydrophobicContact CE1-CG2 3.44Å; F264-T302 VanDerWaalsContact CE1-CG2 3.44Å; F264-T302 HydrophobicContact CZ-CG2 4.37Å; D298-T302 VanDerWaalsContact O-CA 3.3Å; D298-T302 WeakPolarHBondContact O-CA 3.42Å; D298-T302 WeakPolarHBondContact O-CB 3.28Å; D298-T302 PolarHBondContact O-N 3.04Å; D298-T302 PolarHBondContact O-OG1 3.2Å
303T89.5Confident93.5Very high110 Ų11062.8 Ų62.868%0.67534%0.335SS*.  trans-111.6147177.259.60000111.7
304V93.2Very high93.6Very high3 Ų360.9 Ų60.92%0.01833%0.329CS..  trans-86.2112.1163.7-173.30000107.9F264 L267 V271 F279 G306 Y307 F327F264-V304 HydrophobicContact CE1-CG2 4.2Å; F264-V304 HydrophobicContact CE2-CG2 4.15Å; F264-V304 HydrophobicContact CZ-CG2 3.57Å; L267-V304 HydrophobicContact CD2-CG2 4.12Å; L267-V304 HydrophobicContact CG-CG2 4.47Å; V271-V304 HydrophobicContact CB-CG1 4.41Å; V271-V304 HydrophobicContact CG1-CG1 4Å; F279-V304 HydrophobicContact CZ-CG1 4.19Å; F279-V304 HydrophobicContact CZ-CG2 4.4Å; V304-G306 PolarHBondContact O-N 3.35Å; V304-Y307 HydrophobicContact CB-CD2 4.48Å; V304-Y307 HydrophobicContact CG1-CD2 3.8Å; V304-Y307 HydrophobicContact CG1-CE2 4.46Å; V304-Y307 HydrophobicContact CG1-CG 4.39Å; V304-Y307 PolarHBondContact O-N 3.14Å; V304-F327 HydrophobicContact CB-CE1 4.49Å; V304-F327 HydrophobicContact CG2-CD1 4.37Å; V304-F327 HydrophobicContact CG2-CE1 3.92Å; V304-F327 HydrophobicContact CG2-CZ 4.3Å
305G91.3Very high93.7Very high54 Ų5456.4 Ų56.456%0.55731%0.314SS*.THydrogen-bonded Turntrans-54.9127.3-172.100000113Y307G305-Y307 VanDerWaalsContact C-N 3.33Å; G305-Y307 VanDerWaalsContact O-CD2 3.25Å; G305-Y307 WeakPolarHBondContact O-CD2 3.28Å
306G95.6Very high93.8Very high51 Ų5162 Ų6253%0.52634%0.335SS..THydrogen-bonded Turntrans82.23.6-177.500000115.1V304 S330V304-G306 PolarHBondContact O-N 3.35Å; G306-S330 WeakPolarHBondContact O-CB 3.26Å; G306-S330 PolarHBondContact O-N 3.11Å
307Y97.1Very high93.8Very high24 Ų2460.7 Ų60.79%0.09433%0.329CS..EExtended strand (participates in β ladder)trans-125.6151178.3-62.4-97.5000111.4V271 K275 P276 F279 V304 G305 V328 K329V271-Y307 HydrophobicContact CG1-CD2 3.96Å; V271-Y307 HydrophobicContact CG1-CE1 4.23Å; V271-Y307 HydrophobicContact CG1-CE2 3.29Å; V271-Y307 VanDerWaalsContact CG1-CZ 3.45Å; K275-Y307 VanDerWaalsContact C-OH 3.26Å; K275-Y307 WeakPolarHBondContact CA-OH 3.33Å; P276-Y307 WeakPolarHBondContact CD-OH 3.49Å; P276-Y307 HydrophobicContact CG-CE1 4.29Å; P276-Y307 WeakPolarHBondContact O-CE1 3.46Å; P276-Y307 PolarHBondContact O-OH 3.42Å; F279-Y307 HydrophobicContact CD1-CD1 4.03Å; F279-Y307 AromaticContact CD1-CE1 3.96Å; F279-Y307 HydrophobicContact CD1-CE1 3.96Å; F279-Y307 AromaticContact CE1-CD1 3.45Å; F279-Y307 HydrophobicContact CE1-CD1 3.45Å; F279-Y307 VanDerWaalsContact CE1-CD1 3.45Å; F279-Y307 HydrophobicContact CE1-CD2 4.32Å; F279-Y307 AromaticContact CE1-CE1 3.69Å; F279-Y307 HydrophobicContact CE1-CE1 3.69Å; F279-Y307 AromaticContact CE1-CG 3.8Å; F279-Y307 HydrophobicContact CE1-CG 3.8Å; V304-Y307 HydrophobicContact CB-CD2 4.48Å; V304-Y307 HydrophobicContact CG1-CD2 3.8Å; V304-Y307 HydrophobicContact CG1-CE2 4.46Å; V304-Y307 HydrophobicContact CG1-CG 4.39Å; V304-Y307 PolarHBondContact O-N 3.14Å; G305-Y307 VanDerWaalsContact C-N 3.33Å; G305-Y307 VanDerWaalsContact O-CD2 3.25Å; G305-Y307 WeakPolarHBondContact O-CD2 3.28Å; Y307-V328 WeakPolarHBondContact CA-O 3.48Å; Y307-K329 VanDerWaalsContact CD1-CA 3.49Å; Y307-K329 HydrophobicContact CD1-CB 4.01Å; Y307-K329 HydrophobicContact CD1-CG 4.48Å; Y307-K329 HydrophobicContact CE1-CB 3.82Å; Y307-K329 HydrophobicContact CE1-CG 4.12Å
308R95.2Very high93.6Very high107 Ų10756.5 Ų56.540%0.40432%0.32SS..EExtended strand (participates in β ladder)trans-107.4133.816869.9-179.588.3108.2-7.8109L310 F327 V328 S331R308-L310 HydrophobicContact CG-CD2 3.91Å; R308-L310 HydrophobicContact CG-CG 4.31Å; R308-F327 VanDerWaalsContact O-CA 3.3Å; R308-F327 WeakPolarHBondContact O-CA 3.48Å; R308-V328 HydrophobicContact CG-CG2 3.37Å; R308-V328 PolarHBondContact N-O 2.86Å; R308-V328 PolarHBondContact O-N 2.98Å; R308-S331 PolarHBondContact NH2-OG 2.94Å
309M95Very high93.4Very high81 Ų8158.5 Ų58.540%0.39933%0.331SS..EExtended strand (participates in β ladder)trans-77.9121.7166.7-168.817261.700108L299 D311 C312 Y326 F327L299-M309 HydrophobicContact CD2-SD 4.11Å; M309-D311 WeakPolarHBondContact CG-O 3.17Å; M309-C312 HydrophobicContact CE-CB 4.01Å; M309-C312 HydrophobicContact SD-CB 3.82Å; M309-Y326 CarbonylContact C-O 3.53Å; M309-Y326 WeakPolarHBondContact CA-O 3.3Å; M309-F327 HydrophobicContact CB-CD1 3.79Å; M309-F327 HydrophobicContact CB-CE1 3.5Å; M309-F327 HydrophobicContact CB-CZ 4.11Å; M309-F327 HydrophobicContact CG-CD1 4.23Å; M309-F327 HydrophobicContact CG-CE1 3.8Å; M309-F327 HydrophobicContact CG-CE2 4.38Å; M309-F327 HydrophobicContact CG-CZ 3.87Å; M309-F327 HydrophobicContact SD-CE1 4.16Å; M309-F327 HydrophobicContact SD-CZ 3.85Å
310L94Very high93.6Very high57 Ų5758.4 Ų58.430%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-93.6-34.5178.1-70.2-173.1000112.3R149 R308 Y326 V328R149-L310 PolarHBondContact NH2-O 3.16Å; R308-L310 HydrophobicContact CG-CD2 3.91Å; R308-L310 HydrophobicContact CG-CG 4.31Å; L310-Y326 HydrophobicContact CB-CD1 4Å; L310-Y326 HydrophobicContact CD1-CD1 4.03Å; L310-Y326 HydrophobicContact CD1-CE1 3.88Å; L310-Y326 HydrophobicContact CG-CD1 4.48Å; L310-Y326 PolarHBondContact N-O 3.48Å; L310-V328 HydrophobicContact CD1-CB 4.37Å; L310-V328 HydrophobicContact CD1-CG1 3.69Å; L310-V328 HydrophobicContact CD1-CG2 3.7Å; L310-V328 HydrophobicContact CD2-CG2 4.3Å; L310-V328 HydrophobicContact CG-CG1 4.4Å; L310-V328 HydrophobicContact CG-CG2 3.88Å
311D93.6Very high93.7Very high24 Ų2454.9 Ų54.913%0.12830%0.301CS..EExtended strand (participates in β ladder)trans-142143.7-177.3-60.5-73.1000109.4R149 M309 Y324 S325 Y326R149-D311 IonicContact CZ-OD1 3.23Å; R149-D311 VanDerWaalsContact CZ-OD1 3.23Å; R149-D311 IonicContact CZ-OD2 3.28Å; R149-D311 VanDerWaalsContact CZ-OD2 3.28Å; R149-D311 IonicContact NE-OD1 3.89Å; R149-D311 PolarHBondContact NE-OD1 3.47Å; R149-D311 IonicContact NE-OD2 2.69Å; R149-D311 PolarHBondContact NE-OD2 3.03Å; R149-D311 IonicContact NH2-OD1 2.88Å; R149-D311 PolarHBondContact NH2-OD1 2.86Å; R149-D311 IonicContact NH2-OD2 3.32Å; R149-D311 PolarHBondContact NH2-OD2 3.24Å; M309-D311 WeakPolarHBondContact CG-O 3.17Å; D311-Y324 HydrophobicContact CB-CE1 4.36Å; D311-S325 CarbonylContact O-C 3.54Å; D311-S325 WeakPolarHBondContact O-CA 3.24Å; D311-S325 WeakPolarHBondContact O-CB 3.32Å; D311-Y326 PolarHBondContact O-N 3.1Å
312C95.4Very high93.9Very high43 Ų4350 Ų5029%0.29128%0.275SS..EExtended strand (participates in β ladder)trans-141.1124167.9-170.20000107.2M309 Y314 Y324M309-C312 HydrophobicContact CE-CB 4.01Å; M309-C312 HydrophobicContact SD-CB 3.82Å; C312-Y314 VanDerWaalsContact SG-CZ 3.57Å; C312-Y314 PolarHBondContact SG-OH 3.07Å; C312-Y314 VanDerWaalsContact SG-OH 3.39Å; C312-Y324 CarbonylContact C-O 3.48Å; C312-Y324 VanDerWaalsContact CA-O 3.29Å; C312-Y324 WeakPolarHBondContact CA-O 3.36Å
313Q96.3Very high94.3Very high62 Ų6247.8 Ų47.829%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-130.9143.9-177.7-67.2177.2-1900109.1L147 Y324L147-Q313 VanDerWaalsContact CA-OE1 3.25Å; L147-Q313 HydrophobicContact CD2-CB 4.12Å; Q313-Y324 HydrophobicContact CB-CD1 4.2Å; Q313-Y324 HydrophobicContact CG-CD1 4.43Å; Q313-Y324 PolarHBondContact N-O 3.31Å; Q313-Y324 PolarHBondContact O-N 3.12Å
314Y95.7Very high94.6Very high96 Ų9642.5 Ų42.538%0.37623%0.229SC..EExtended strand (participates in β ladder)trans-121.9119.9178-57.5-78.6000108.7E296 C312 L322 V323E296-Y314 HydrophobicContact CG-CD1 4.18Å; E296-Y314 HydrophobicContact CG-CE1 3.6Å; C312-Y314 VanDerWaalsContact SG-CZ 3.57Å; C312-Y314 PolarHBondContact SG-OH 3.07Å; C312-Y314 VanDerWaalsContact SG-OH 3.39Å; Y314-L322 WeakPolarHBondContact CA-O 3.39Å; Y314-V323 HydrophobicContact CD1-CB 4.35Å; Y314-V323 HydrophobicContact CD1-CG1 4.07Å; Y314-V323 HydrophobicContact CD1-CG2 3.95Å; Y314-V323 HydrophobicContact CE1-CB 4.35Å; Y314-V323 HydrophobicContact CE1-CG1 3.68Å; Y314-V323 HydrophobicContact CE1-CG2 4.01Å
315L96.2Very high94.8Very high30 Ų3042.4 Ų42.416%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-101.2115.5170.517664.9000108.7Y145 L157 L317 T321 L322Y145-L315 HydrophobicContact CD1-CD1 3.85Å; Y145-L315 HydrophobicContact CD1-CD2 3.65Å; Y145-L315 HydrophobicContact CD1-CG 4.42Å; Y145-L315 HydrophobicContact CD2-CD2 3.87Å; Y145-L315 HydrophobicContact CE1-CD1 3.83Å; Y145-L315 HydrophobicContact CE1-CD2 4.07Å; Y145-L315 HydrophobicContact CE2-CD2 4.25Å; Y145-L315 HydrophobicContact CG-CD2 3.55Å; L157-L315 HydrophobicContact CD2-CD2 4.15Å; L315-L317 HydrophobicContact CD1-CD2 4.46Å; L315-L317 HydrophobicContact CD2-CD2 4Å; L315-L317 HydrophobicContact CD2-CG 4.3Å; L315-L317 HydrophobicContact CG-CD2 4.05Å; L315-L317 HydrophobicContact CG-CG 4.18Å; L315-T321 WeakPolarHBondContact O-CA 3.41Å; L315-L322 HydrophobicContact CB-CB 4.17Å; L315-L322 HydrophobicContact CD2-CD2 4.29Å; L315-L322 PolarHBondContact N-O 3.09Å; L315-L322 PolarHBondContact O-N 2.82Å
316R94.1Very high95Very high121 Ų12140.3 Ų40.346%0.45720%0.204SC..EExtended strand (participates in β ladder)trans-92.2100.5177.4-65-66.5-176.6164.2-0.9109.4E296 T321E296-R316 IonicContact OE1-CZ 3.48Å; E296-R316 IonicContact OE1-NH2 3.8Å; E296-R316 PolarHBondContact OE1-NH2 2.68Å; E296-R316 IonicContact OE2-NH2 2.72Å; E296-R316 PolarHBondContact OE2-NH2 3.02Å; R316-T321 WeakPolarHBondContact CD-OG1 3.44Å; R316-T321 PolarHBondContact NH1-OG1 3.23Å
317L93.2Very high95.1Very high11 Ų1138.2 Ų38.26%0.05818%0.18CC..  trans-84.7167.5170.1-60.9174.7000109.4Y145 T159 F284 L315 N319 H320Y145-L317 HydrophobicContact CE2-CD2 4Å; T159-L317 HydrophobicContact CG2-CD1 4.09Å; F284-L317 HydrophobicContact CE1-CD1 4.15Å; L315-L317 HydrophobicContact CD1-CD2 4.46Å; L315-L317 HydrophobicContact CD2-CD2 4Å; L315-L317 HydrophobicContact CD2-CG 4.3Å; L315-L317 HydrophobicContact CG-CD2 4.05Å; L315-L317 HydrophobicContact CG-CG 4.18Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 3.45Å; L317-H320 CarbonylContact C-O 3.58Å; L317-H320 WeakPolarHBondContact CA-O 3.46Å; L317-H320 HydrophobicContact CB-CB 4.33Å; L317-H320 WeakPolarHBondContact CB-O 3.5Å; L317-H320 HydrophobicContact CD1-CB 4.38Å; L317-H320 PolarHBondContact N-O 3.39Å; L317-H320 VanDerWaalsContact O-O 3.11Å
318P91.4Very high95.1Very high58 Ų5838 Ų3838%0.37718%0.181SC..SBendtrans-53.7-43.6179.7-29.636.6000113.3N161 K287N161-P318 VanDerWaalsContact OD1-CD 3.25Å; N161-P318 WeakPolarHBondContact OD1-CD 3.26Å; N161-P318 WeakPolarHBondContact OD1-CG 3.43Å; K287-P318 VanDerWaalsContact CD-O 3.26Å; K287-P318 WeakPolarHBondContact CD-O 3.46Å
319N90.7Very high95.1Very high68 Ų6837.2 Ų37.236%0.36418%0.181SC..SBendtrans-116.4-14.2-172-61.8-35.5000114I167 K287 L317I167-N319 HydrophobicContact CD1-CB 3.2Å; I167-N319 WeakPolarHBondContact CD1-ND2 3.3Å; I167-N319 HydrophobicContact CG1-CB 3.93Å; K287-N319 WeakPolarHBondContact CB-O 3.27Å; K287-N319 PolarHBondContact N-O 2.58Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 3.45Å
320H94.5Very high95Very high3 Ų335.9 Ų35.91%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-126.1157.2-179.3-6998.5000111.9I167 D171 F284 V285 L317I167-H320 WeakPolarHBondContact CD1-CE1 3.42Å; I167-H320 WeakPolarHBondContact CD1-ND1 3.46Å; I167-H320 VanDerWaalsContact CG2-CE1 3.42Å; I167-H320 WeakPolarHBondContact CG2-CE1 3.41Å; D171-H320 IonicContact OD2-CD2 3.9Å; D171-H320 IonicContact OD2-CE1 3.79Å; D171-H320 IonicContact OD2-NE2 2.7Å; D171-H320 PolarHBondContact OD2-NE2 2.77Å; F284-H320 HydrophobicContact CD1-CB 4.33Å; V285-H320 CarbonylContact O-C 3.44Å; V285-H320 WeakPolarHBondContact O-CA 3.19Å; L317-H320 CarbonylContact C-O 3.58Å; L317-H320 WeakPolarHBondContact CA-O 3.46Å; L317-H320 HydrophobicContact CB-CB 4.33Å; L317-H320 WeakPolarHBondContact CB-O 3.5Å; L317-H320 HydrophobicContact CD1-CB 4.38Å; L317-H320 PolarHBondContact N-O 3.39Å; L317-H320 VanDerWaalsContact O-O 3.11Å
321T95.2Very high94.4Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-115.1123.4159.9-59.90000107.6V285 Q292 L315 R316 V323V285-T321 WeakPolarHBondContact CG2-O 3.47Å; V285-T321 PolarHBondContact N-O 2.81Å; V285-T321 VanDerWaalsContact N-O 3.11Å; V285-T321 PolarHBondContact O-N 3.38Å; Q292-T321 HydrophobicContact CG-CG2 4.17Å; Q292-T321 PolarHBondContact OE1-OG1 2.77Å; L315-T321 WeakPolarHBondContact O-CA 3.41Å; R316-T321 WeakPolarHBondContact CD-OG1 3.44Å; R316-T321 PolarHBondContact NH1-OG1 3.23Å; T321-V323 HydrophobicContact CG2-CG2 4.4Å
322L96.5Very high92.9Very high0 Ų040.9 Ų40.90%023%0.226CC..EExtended strand (participates in β ladder)trans-94.9121.2168.5166.660.5000108.4L147 W155 L157 A283 F284 Y314 L315L147-L322 HydrophobicContact CD1-CD2 3.37Å; L147-L322 HydrophobicContact CD1-CG 3.89Å; W155-L322 HydrophobicContact CE3-CD2 4.19Å; W155-L322 HydrophobicContact CH2-CD2 4.19Å; W155-L322 HydrophobicContact CZ3-CD1 4.43Å; W155-L322 HydrophobicContact CZ3-CD2 3.43Å; W155-L322 VanDerWaalsContact CZ3-CD2 3.43Å; L157-L322 HydrophobicContact CD2-CD2 3.88Å; A283-L322 WeakPolarHBondContact O-CA 3.45Å; F284-L322 HydrophobicContact CD1-CB 4.26Å; F284-L322 HydrophobicContact CD2-CD1 3.62Å; F284-L322 HydrophobicContact CE1-CB 3.96Å; F284-L322 HydrophobicContact CE1-CD2 4.36Å; F284-L322 HydrophobicContact CE2-CB 4.35Å; F284-L322 HydrophobicContact CE2-CD1 3.41Å; F284-L322 VanDerWaalsContact CE2-CD1 3.41Å; F284-L322 HydrophobicContact CE2-CD2 3.88Å; F284-L322 HydrophobicContact CE2-CG 4.08Å; F284-L322 HydrophobicContact CG-CD1 4.27Å; F284-L322 HydrophobicContact CZ-CB 4.02Å; F284-L322 HydrophobicContact CZ-CD1 3.92Å; F284-L322 HydrophobicContact CZ-CD2 3.64Å; F284-L322 HydrophobicContact CZ-CG 4.07Å; Y314-L322 WeakPolarHBondContact CA-O 3.39Å; L315-L322 HydrophobicContact CB-CB 4.17Å; L315-L322 HydrophobicContact CD2-CD2 4.29Å; L315-L322 PolarHBondContact N-O 3.09Å; L315-L322 PolarHBondContact O-N 2.82Å
323V96.2Very high90.8Very high0 Ų044.5 Ų44.50%025%0.252CS..EExtended strand (participates in β ladder)trans-97.1127.8170.7-174.20000108.2F281 T282 A283 I295 L299 Y314 T321F281-V323 HydrophobicContact CE1-CG1 4.37Å; T282-V323 CarbonylContact C-O 3.54Å; T282-V323 WeakPolarHBondContact CA-O 3.45Å; A283-V323 HydrophobicContact CB-CB 4.33Å; A283-V323 PolarHBondContact N-O 2.69Å; A283-V323 PolarHBondContact O-N 3.07Å; I295-V323 HydrophobicContact CG2-CB 4.4Å; I295-V323 HydrophobicContact CG2-CG1 4.24Å; I295-V323 HydrophobicContact CG2-CG2 4.09Å; L299-V323 HydrophobicContact CD1-CG1 3.29Å; Y314-V323 HydrophobicContact CD1-CB 4.35Å; Y314-V323 HydrophobicContact CD1-CG1 4.07Å; Y314-V323 HydrophobicContact CD1-CG2 3.95Å; Y314-V323 HydrophobicContact CE1-CB 4.35Å; Y314-V323 HydrophobicContact CE1-CG1 3.68Å; Y314-V323 HydrophobicContact CE1-CG2 4.01Å; T321-V323 HydrophobicContact CG2-CG2 4.4Å
324Y96.7Very high87.9Confident0 Ų048.4 Ų48.40%031%0.309CS..EExtended strand (participates in β ladder)trans-121136.7170.7165.7-84.3000108.8L147 G148 D153 W155 I280 F281 T282 D311 C312 Q313L147-Y324 HydrophobicContact CB-CD1 4.14Å; L147-Y324 HydrophobicContact CB-CD2 3.86Å; L147-Y324 HydrophobicContact CB-CE2 4.36Å; L147-Y324 HydrophobicContact CB-CG 3.74Å; L147-Y324 HydrophobicContact CD1-CG 4.32Å; G148-Y324 WeakPolarHBondContact CA-OH 3.33Å; D153-Y324 PolarHBondContact O-OH 3.09Å; W155-Y324 HydrophobicContact CB-CD2 3.83Å; W155-Y324 HydrophobicContact CB-CE2 3.65Å; I280-Y324 HydrophobicContact CB-CE2 4.38Å; I280-Y324 HydrophobicContact CD1-CE2 4.02Å; I280-Y324 HydrophobicContact CG1-CE2 3.98Å; I280-Y324 HydrophobicContact CG2-CD2 3.77Å; I280-Y324 HydrophobicContact CG2-CE2 3.51Å; F281-Y324 CarbonylContact O-C 3.51Å; F281-Y324 WeakPolarHBondContact O-CA 3.42Å; T282-Y324 HydrophobicContact CG2-CD2 4.07Å; D311-Y324 HydrophobicContact CB-CE1 4.36Å; C312-Y324 CarbonylContact C-O 3.48Å; C312-Y324 VanDerWaalsContact CA-O 3.29Å; C312-Y324 WeakPolarHBondContact CA-O 3.36Å; Q313-Y324 HydrophobicContact CB-CD1 4.2Å; Q313-Y324 HydrophobicContact CG-CD1 4.43Å; Q313-Y324 PolarHBondContact N-O 3.31Å; Q313-Y324 PolarHBondContact O-N 3.12Å
325S96.4Very high87.5Confident0 Ų046.1 Ų46.10%031%0.306CS..EExtended strand (participates in β ladder)trans-146.2147.716951.60000111.6I280 F281 D311 F327I280-S325 WeakPolarHBondContact CA-O 3.36Å; F281-S325 VanDerWaalsContact CD1-OG 3.32Å; F281-S325 WeakPolarHBondContact CD1-OG 3.27Å; F281-S325 PolarHBondContact N-O 2.73Å; F281-S325 PolarHBondContact O-N 3.07Å; D311-S325 CarbonylContact O-C 3.54Å; D311-S325 WeakPolarHBondContact O-CA 3.24Å; D311-S325 WeakPolarHBondContact O-CB 3.32Å; S325-F327 VanDerWaalsContact OG-CE2 3.22Å; S325-F327 WeakPolarHBondContact OG-CE2 3.26Å
326Y96.8Very high87Confident11 Ų1146.9 Ų46.94%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-120.3129.5-177.8-179.6-124.1000110.4D153 R278 F279 I280 M309 L310 D311 V328D153-Y326 HydrophobicContact CB-CD2 4.36Å; D153-Y326 HydrophobicContact CB-CE2 3.81Å; D153-Y326 WeakPolarHBondContact OD2-CE2 3.3Å; D153-Y326 PolarHBondContact OD2-OH 2.87Å; R278-Y326 HydrophobicContact CB-CE2 4.19Å; R278-Y326 VanDerWaalsContact CD-OH 3.24Å; R278-Y326 WeakPolarHBondContact CD-OH 3.23Å; F279-Y326 WeakPolarHBondContact O-CD2 3.31Å; I280-Y326 HydrophobicContact CG1-CD2 3.78Å; I280-Y326 HydrophobicContact CG1-CE2 4.4Å; M309-Y326 CarbonylContact C-O 3.53Å; M309-Y326 WeakPolarHBondContact CA-O 3.3Å; L310-Y326 HydrophobicContact CB-CD1 4Å; L310-Y326 HydrophobicContact CD1-CD1 4.03Å; L310-Y326 HydrophobicContact CD1-CE1 3.88Å; L310-Y326 HydrophobicContact CG-CD1 4.48Å; L310-Y326 PolarHBondContact N-O 3.48Å; D311-Y326 PolarHBondContact O-N 3.1Å; Y326-V328 HydrophobicContact CD1-CG1 4.48Å; Y326-V328 HydrophobicContact CE1-CG1 3.73Å
327F96.9Very high86.6Confident7 Ų742.8 Ų42.83%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-124.5144.4-176.7-64.1-99.2000111.1R278 F279 F281 L299 V304 R308 M309 S325R278-F327 CarbonylContact C-O 3.58Å; R278-F327 VanDerWaalsContact CA-O 3.24Å; R278-F327 WeakPolarHBondContact CA-O 3.4Å; F279-F327 HydrophobicContact CD1-CB 3.87Å; F279-F327 HydrophobicContact CD2-CB 4.06Å; F279-F327 AromaticContact CD2-CD2 3.85Å; F279-F327 HydrophobicContact CD2-CD2 3.85Å; F279-F327 HydrophobicContact CD2-CG 4.28Å; F279-F327 HydrophobicContact CE1-CB 3.43Å; F279-F327 VanDerWaalsContact CE1-CB 3.43Å; F279-F327 HydrophobicContact CE1-CG 4.04Å; F279-F327 HydrophobicContact CE2-CB 3.6Å; F279-F327 HydrophobicContact CE2-CD1 4.36Å; F279-F327 AromaticContact CE2-CD2 3.14Å; F279-F327 HydrophobicContact CE2-CD2 3.14Å; F279-F327 AromaticContact CE2-CE2 3.8Å; F279-F327 HydrophobicContact CE2-CE2 3.8Å; F279-F327 AromaticContact CE2-CG 3.47Å; F279-F327 HydrophobicContact CE2-CG 3.47Å; F279-F327 VanDerWaalsContact CE2-CG 3.47Å; F279-F327 HydrophobicContact CG-CB 4.18Å; F279-F327 HydrophobicContact CZ-CB 3.27Å; F279-F327 AromaticContact CZ-CD1 3.94Å; F279-F327 HydrophobicContact CZ-CD1 3.94Å; F279-F327 AromaticContact CZ-CD2 3.57Å; F279-F327 HydrophobicContact CZ-CD2 3.57Å; F279-F327 HydrophobicContact CZ-CE2 4.31Å; F279-F327 AromaticContact CZ-CG 3.33Å; F279-F327 HydrophobicContact CZ-CG 3.33Å; F279-F327 PolarHBondContact N-O 3.31Å; F279-F327 PolarHBondContact O-N 3.19Å; F281-F327 HydrophobicContact CB-CE2 4.27Å; L299-F327 HydrophobicContact CD2-CE2 4.42Å; L299-F327 HydrophobicContact CD2-CZ 3.89Å; V304-F327 HydrophobicContact CB-CE1 4.49Å; V304-F327 HydrophobicContact CG2-CD1 4.37Å; V304-F327 HydrophobicContact CG2-CE1 3.92Å; V304-F327 HydrophobicContact CG2-CZ 4.3Å; R308-F327 VanDerWaalsContact O-CA 3.3Å; R308-F327 WeakPolarHBondContact O-CA 3.48Å; M309-F327 HydrophobicContact CB-CD1 3.79Å; M309-F327 HydrophobicContact CB-CE1 3.5Å; M309-F327 HydrophobicContact CB-CZ 4.11Å; M309-F327 HydrophobicContact CG-CD1 4.23Å; M309-F327 HydrophobicContact CG-CE1 3.8Å; M309-F327 HydrophobicContact CG-CE2 4.38Å; M309-F327 HydrophobicContact CG-CZ 3.87Å; M309-F327 HydrophobicContact SD-CE1 4.16Å; M309-F327 HydrophobicContact SD-CZ 3.85Å; S325-F327 VanDerWaalsContact OG-CE2 3.22Å; S325-F327 WeakPolarHBondContact OG-CE2 3.26Å
328V96.6Very high86.2Confident20 Ų2044.6 Ų44.612%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-129.8143.8171.4-57.60000110R278 Y307 R308 L310 Y326 S330R278-V328 HydrophobicContact CB-CG1 4.01Å; Y307-V328 WeakPolarHBondContact CA-O 3.48Å; R308-V328 HydrophobicContact CG-CG2 3.37Å; R308-V328 PolarHBondContact N-O 2.86Å; R308-V328 PolarHBondContact O-N 2.98Å; L310-V328 HydrophobicContact CD1-CB 4.37Å; L310-V328 HydrophobicContact CD1-CG1 3.69Å; L310-V328 HydrophobicContact CD1-CG2 3.7Å; L310-V328 HydrophobicContact CD2-CG2 4.3Å; L310-V328 HydrophobicContact CG-CG1 4.4Å; L310-V328 HydrophobicContact CG-CG2 3.88Å; Y326-V328 HydrophobicContact CD1-CG1 4.48Å; Y326-V328 HydrophobicContact CE1-CG1 3.73Å; V328-S330 PolarHBondContact O-N 2.77Å
329K96.9Very high85.9Confident90 Ų9043.8 Ų43.839%0.39132%0.317SS..EExtended strand (participates in β ladder)trans-61.1128.5177.5-163.1170.5-167.2165.10108.5K275 K277 Y307 S331K275-K329 PolarHBondContact O-NZ 2.87Å; K277-K329 WeakPolarHBondContact O-CB 3.34Å; K277-K329 PolarHBondContact O-N 3.19Å; Y307-K329 VanDerWaalsContact CD1-CA 3.49Å; Y307-K329 HydrophobicContact CD1-CB 4.01Å; Y307-K329 HydrophobicContact CD1-CG 4.48Å; Y307-K329 HydrophobicContact CE1-CB 3.82Å; Y307-K329 HydrophobicContact CE1-CG 4.12Å; K329-S331 PolarHBondContact O-N 3.12Å
330S92.8Very high85.6Confident53 Ų5342.2 Ų42.237%0.37131%0.314SS..PPolyproline II helixtrans-62.2125.9174.8-68.20000107.9G306 V328 A332G306-S330 WeakPolarHBondContact O-CB 3.26Å; G306-S330 PolarHBondContact O-N 3.11Å; V328-S330 PolarHBondContact O-N 2.77Å; S330-A332 PolarHBondContact O-N 3.11Å
331S80.4Confident85Confident90 Ų9045 Ų4563%0.62934%0.335SS*.PPolyproline II helixtrans-52.9130.3167.143.20000107.8R308 K329 S333R308-S331 PolarHBondContact NH2-OG 2.94Å; K329-S331 PolarHBondContact O-N 3.12Å; S331-S333 PolarHBondContact O-N 2.95Å
332A62.2Low84.2Confident95 Ų9548.5 Ų48.579%0.78536%0.361SS*.PPolyproline II helixtrans-50.9119.5166.700000106.5S330 G334S330-A332 PolarHBondContact O-N 3.11Å; A332-G334 PolarHBondContact O-N 3.27Å
333S50.7Low83.1Confident120 Ų12052.5 Ų52.584%0.83939%0.391SS*.  trans-57.8101.5160.945.60000105.2S331S331-S333 PolarHBondContact O-N 2.95Å
334G35.2Very low82Confident144 Ų14457.3 Ų57.3100%1.48543%0.427SS*.  trans-64.20171.500000111.2A332A332-G334 PolarHBondContact O-N 3.27Å

Retrieved 334 of 334 residues in 540 ms (Link to these results)

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