A0A077ZIL6_TRITR Loading...

Glucose-6-phosphate 1-dehydrogenase

Catalyzes the rate-limiting step of the oxidative pentose-phosphate pathway, which represents a route for the dissimilation of carbohydrates besides glycolysis. Cytosolic glucose-6-phosphate dehydrogenase that catalyzes the first and rate-limiting step of the oxidative branch within the pentose phosphate pathway/shunt, an alternative route to glycolysis for the dissimilation of carbohydrates and a major source of reducing power and metabolic intermediates for fatty acid and nucleic acid biosynthetic processes.

AlphaFold DB , UniProt , Accession A0A077ZIL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 491 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
1M27.8Very low64.6Low251 Ų25182.7 Ų82.7100%1.23647%0.47SS*.  087.30-80.4-173.8-106.900108.5
2A28.4Very low67.5Low97 Ų9776 Ų7680%0.80243%0.432SS*.  trans-108114.3156.100000104.1T4A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å
3V32.9Very low69.9Low119 Ų11970.2 Ų70.272%0.72140%0.399SS*.  trans-50.2124.4167.5175.40000105.7Q5V3-Q5 HydrophobicContact CG1-CG 4.3Å; V3-Q5 PolarHBondContact O-N 3.02Å
4T41Very low71.9Confident108 Ų10865.2 Ų65.266%0.66337%0.371SS*.  trans-56.981.4163.323.80000107A2 T6A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å; T4-T6 PolarHBondContact O-N 3.25Å
5Q55.5Low73.7Confident145 Ų14560.9 Ų60.968%0.67835%0.346SS*.  trans-69.595.1164.8-81.2-173.9-9.300104.4V3 A7 R430V3-Q5 HydrophobicContact CG1-CG 4.3Å; V3-Q5 PolarHBondContact O-N 3.02Å; Q5-A7 PolarHBondContact O-N 3.24Å; Q5-R430 PolarHBondContact O-NE 3.43Å; Q5-R430 VanDerWaalsContact O-NE 3.17Å; Q5-R430 PolarHBondContact O-NH2 3.11Å
6T66.6Low75Confident82 Ų8258.1 Ų58.150%0.50334%0.335SS..  trans-41138.5157.931.90000107.8T4T4-T6 PolarHBondContact O-N 3.25Å
7A79.6Confident76.1Confident1 Ų154.8 Ų54.81%0.00832%0.316CS..PPolyproline II helixtrans-55.4154.7-178.200000110.2Q5 Q38 N40 L426 M429Q5-A7 PolarHBondContact O-N 3.24Å; A7-Q38 PolarHBondContact N-O 2.8Å; A7-N40 VanDerWaalsContact O-CB 3.3Å; A7-N40 WeakPolarHBondContact O-CB 2.83Å; A7-N40 PolarHBondContact O-ND2 2.99Å; A7-L426 HydrophobicContact CB-CD1 4.04Å; A7-M429 HydrophobicContact CB-CB 3.67Å; A7-M429 HydrophobicContact CB-SD 4.34Å
8Q88.6Confident77Confident89 Ų8959.6 Ų59.642%0.41633%0.333SS..PPolyproline II helixtrans-64.4146.8173.6-69.2164.4-12.100108.9C10 I112Q8-C10 PolarHBondContact O-N 3.41Å; Q8-I112 HydrophobicContact CB-CD1 3.97Å; Q8-I112 HydrophobicContact CG-CD1 4.4Å
9A95.3Very high77.7Confident17 Ų1757.9 Ų57.914%0.1433%0.33CS..PPolyproline II helixtrans-58.1128.2171.700000109.2N40 D42 R111 I112A9-N40 HydrophobicContact CB-CB 4.45Å; A9-D42 HydrophobicContact CB-CB 3.83Å; A9-R111 HydrophobicContact CB-CG 4.27Å; A9-R111 WeakPolarHBondContact O-CA 3.26Å; A9-I112 PolarHBondContact O-N 3.42Å
10C97.2Very high78.4Confident1 Ų159.4 Ų59.41%0.00734%0.337CS..EExtended strand (participates in β ladder)trans-141153-176.165.60000112.8Q8 T43 R44 I112 I114Q8-C10 PolarHBondContact O-N 3.41Å; C10-T43 VanDerWaalsContact O-CA 3.3Å; C10-T43 WeakPolarHBondContact O-CA 3.02Å; C10-R44 PolarHBondContact O-N 2.85Å; C10-I112 CarbonylContact C-O 3.53Å; C10-I112 WeakPolarHBondContact CA-O 3.29Å; C10-I112 HydrophobicContact CB-CB 4.34Å; C10-I112 WeakPolarHBondContact CB-O 3.38Å; C10-I114 HydrophobicContact CB-CD1 3.83Å; C10-I114 HydrophobicContact CB-CG1 4.23Å
11D98.3Very high79.2Confident0 Ų058.6 Ų58.60%033%0.332CS..EExtended strand (participates in β ladder)trans-96.9101.5161-71.5-36.7000106.9V13 R44 I46 L106 D107 R111 I112 I114D11-V13 PolarHBondContact O-N 3.38Å; D11-R44 WeakPolarHBondContact OD1-CB 3.46Å; D11-I46 HydrophobicContact CB-CD1 4.31Å; D11-L106 HydrophobicContact CB-CD2 3.51Å; D11-L106 WeakPolarHBondContact OD2-CA 3.32Å; D11-D107 PolarHBondContact OD2-N 2.66Å; D11-R111 WeakPolarHBondContact OD1-CD 3.5Å; D11-I112 PolarHBondContact N-O 3.18Å; D11-I114 PolarHBondContact O-N 3.04Å
12L98.4Very high82.4Confident2 Ų246.7 Ų46.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-84.8103.5175.6178.264.9000109.5I14 L30 R44 I45 I46 I114 L425 M429L12-I14 HydrophobicContact CD2-CD1 4.36Å; L12-I14 HydrophobicContact CD2-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.15Å; L12-L30 HydrophobicContact CD2-CD1 3.89Å; L12-L30 HydrophobicContact CD2-CD2 3.68Å; L12-L30 HydrophobicContact CD2-CG 4.37Å; L12-R44 PolarHBondContact N-O 2.77Å; L12-I45 CarbonylContact O-C 3.57Å; L12-I45 WeakPolarHBondContact O-CA 3.48Å; L12-I46 PolarHBondContact O-N 3.2Å; L12-I114 CarbonylContact C-O 3.55Å; L12-I114 HydrophobicContact CD1-CB 3.95Å; L12-I114 HydrophobicContact CD1-CG2 3.66Å; L12-L425 HydrophobicContact CD2-CD2 4.44Å; L12-M429 HydrophobicContact CD2-CE 3.81Å
13V98.6Very high85.6Confident0 Ų045.6 Ų45.60%025%0.248CC..EExtended strand (participates in β ladder)trans-93.3114.1179.8-173.70000109.4D11 F15 I46 V48 L102 L106 T113 I114 N115 Y116D11-V13 PolarHBondContact O-N 3.38Å; V13-F15 HydrophobicContact CB-CE2 4.26Å; V13-F15 HydrophobicContact CG1-CD2 4.05Å; V13-F15 HydrophobicContact CG1-CE2 3.55Å; V13-F15 HydrophobicContact CG1-CZ 4Å; V13-I46 CarbonylContact C-O 3.54Å; V13-I46 WeakPolarHBondContact CA-O 3.33Å; V13-I46 HydrophobicContact CG2-CB 4.5Å; V13-V48 HydrophobicContact CG1-CG2 3.39Å; V13-L102 HydrophobicContact CG1-CD1 4Å; V13-L102 HydrophobicContact CG1-CD2 4.08Å; V13-L102 HydrophobicContact CG2-CD1 4.28Å; V13-L106 HydrophobicContact CG2-CD2 3.74Å; V13-T113 HydrophobicContact CG2-CG2 4.2Å; V13-I114 PolarHBondContact N-O 3.07Å; V13-N115 CarbonylContact O-C 3.53Å; V13-Y116 PolarHBondContact O-N 2.86Å
14I98.5Very high88.6Confident1 Ų146.2 Ų46.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-102.299.7-179.4-54.8176.9000109.5L12 A17 A22 L26 L30 I45 I46 V48 A118L12-I14 HydrophobicContact CD2-CD1 4.36Å; L12-I14 HydrophobicContact CD2-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.15Å; I14-A17 HydrophobicContact CG2-CB 4.48Å; I14-A22 HydrophobicContact CG2-CB 4.23Å; I14-L26 HydrophobicContact CG2-CD1 4.02Å; I14-L30 HydrophobicContact CD1-CD1 4.02Å; I14-I45 HydrophobicContact CD1-CG2 4.01Å; I14-I46 PolarHBondContact N-O 3.35Å; I14-V48 PolarHBondContact O-N 3.33Å; I14-A118 HydrophobicContact CG2-CB 4.26Å
15F98.2Very high91.2Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-70.6127.8171-69-93.7000109.8V13 V48 L91 V93 F99 L102 N115 Y116 F117 A118 M119 I127 L131V13-F15 HydrophobicContact CB-CE2 4.26Å; V13-F15 HydrophobicContact CG1-CD2 4.05Å; V13-F15 HydrophobicContact CG1-CE2 3.55Å; V13-F15 HydrophobicContact CG1-CZ 4Å; F15-V48 HydrophobicContact CD1-CB 4.04Å; F15-V48 HydrophobicContact CD1-CG1 3.63Å; F15-V48 HydrophobicContact CE1-CB 4.36Å; F15-V48 HydrophobicContact CE1-CG1 3.81Å; F15-V48 HydrophobicContact CE1-CG2 4.44Å; F15-V48 HydrophobicContact CG-CB 4.37Å; F15-V48 HydrophobicContact CG-CG1 4.43Å; F15-L91 HydrophobicContact CE1-CD2 4.3Å; F15-V93 HydrophobicContact CD1-CG1 3.92Å; F15-V93 HydrophobicContact CE1-CG1 4.39Å; F15-F99 AromaticContact CE1-CE1 3.89Å; F15-F99 HydrophobicContact CE1-CE1 3.89Å; F15-F99 HydrophobicContact CE1-CZ 4.19Å; F15-F99 AromaticContact CZ-CE1 4Å; F15-F99 HydrophobicContact CZ-CE1 4Å; F15-L102 HydrophobicContact CZ-CD2 3.87Å; F15-N115 HydrophobicContact CD2-CB 4.46Å; F15-N115 HydrophobicContact CE2-CB 3.93Å; F15-Y116 PolarHBondContact N-O 3.23Å; F15-F117 AromaticContact CD2-CD1 3.88Å; F15-F117 HydrophobicContact CD2-CD1 3.88Å; F15-F117 HydrophobicContact CD2-CE1 4.1Å; F15-F117 HydrophobicContact CE2-CD1 4.48Å; F15-F117 HydrophobicContact CE2-CE1 4.25Å; F15-F117 HydrophobicContact CG-CD1 4.39Å; F15-A118 CarbonylContact O-C 3.53Å; F15-A118 WeakPolarHBondContact O-CA 3.34Å; F15-A118 VanDerWaalsContact O-CB 3.3Å; F15-A118 WeakPolarHBondContact O-CB 3.39Å; F15-A118 PolarHBondContact O-N 2.87Å; F15-M119 HydrophobicContact CB-CG 4.29Å; F15-M119 HydrophobicContact CB-SD 3.84Å; F15-I127 HydrophobicContact CB-CD1 4.21Å; F15-I127 HydrophobicContact CD1-CD1 4.21Å; F15-I127 HydrophobicContact CD1-CG1 4.19Å; F15-I127 HydrophobicContact CD1-CG2 4.1Å; F15-I127 HydrophobicContact CD2-CG2 4.25Å; F15-I127 HydrophobicContact CE1-CG1 4.49Å; F15-I127 HydrophobicContact CE1-CG2 3.83Å; F15-I127 HydrophobicContact CE2-CG2 4Å; F15-I127 HydrophobicContact CG-CD1 4.22Å; F15-I127 HydrophobicContact CG-CG2 4.3Å; F15-I127 HydrophobicContact CZ-CG2 3.78Å; F15-L131 HydrophobicContact CZ-CD2 4.28Å
16G95.7Very high93.1Very high16 Ų1637.9 Ų37.917%0.16519%0.19CC..THydrogen-bonded Turntrans81.536.2-174.800000112.8K18 G19 V48G16-K18 PolarHBondContact O-N 2.61Å; G16-G19 WeakPolarHBondContact O-CA 3.16Å; G16-G19 PolarHBondContact O-N 2.85Å; G16-V48 PolarHBondContact N-O 2.97Å
17A93.3Very high94.6Very high2 Ų234.2 Ų34.22%0.01717%0.167CC..THydrogen-bonded Turntrans-58-21.4-174.400000115.2I14 A22 V48 Y58 F88I14-A17 HydrophobicContact CG2-CB 4.48Å; A17-A22 WeakPolarHBondContact O-CB 3.12Å; A17-V48 PolarHBondContact N-O 3Å; A17-Y58 HydrophobicContact CB-CE2 3.93Å; A17-F88 HydrophobicContact CB-CE2 4.43Å
18K91.4Very high95.4Very high142 Ų14235 Ų3562%0.61717%0.172SC*.THydrogen-bonded Turntrans-83.6-13174.2-170.3177.1-179.1179.50113.4G16 R23 W53G16-K18 PolarHBondContact O-N 2.61Å; K18-R23 WeakPolarHBondContact O-CD 3.31Å; K18-W53 HydrophobicContact CB-CH2 4.12Å; K18-W53 HydrophobicContact CB-CZ3 4.39Å; K18-W53 HydrophobicContact CD-CH2 3.71Å; K18-W53 HydrophobicContact CD-CZ2 4.15Å; K18-W53 HydrophobicContact CG-CH2 3.91Å
19G92Very high95.8Very high28 Ų2831 Ų3129%0.28915%0.154SC..SBendtrans-63.9159.3-174.500000113.4G16 L21 A22 R23G16-G19 WeakPolarHBondContact O-CA 3.16Å; G16-G19 PolarHBondContact O-N 2.85Å; G19-L21 VanDerWaalsContact C-N 3.33Å; G19-L21 PolarHBondContact O-N 3.27Å; G19-A22 PolarHBondContact O-N 2.87Å; G19-R23 WeakPolarHBondContact O-CG 3.46Å; G19-R23 PolarHBondContact O-N 3.35Å; G19-R23 VanDerWaalsContact O-N 3.14Å
20D91Very high95.9Very high87 Ų8730.2 Ų30.247%0.46515%0.148SC..Hα-helixtrans-60-42.5-177.4-165.671.2000111.9A22 R23 R24D20-A22 PolarHBondContact O-N 3.25Å; D20-R23 PolarHBondContact O-N 3.32Å; D20-R24 WeakPolarHBondContact O-CB 3.34Å; D20-R24 WeakPolarHBondContact O-CG 3.49Å; D20-R24 PolarHBondContact O-N 3.32Å; D20-R24 IonicContact OD1-CZ 2.7Å; D20-R24 VanDerWaalsContact OD1-CZ 3.22Å; D20-R24 IonicContact OD1-NE 3.65Å; D20-R24 PolarHBondContact OD1-NE 3.48Å; D20-R24 IonicContact OD1-NH2 3.05Å; D20-R24 PolarHBondContact OD1-NH2 2.97Å; D20-R24 VanDerWaalsContact OD1-NH2 3.09Å; D20-R24 VanDerWaalsContact OD2-CD 3.29Å; D20-R24 WeakPolarHBondContact OD2-CD 3.48Å; D20-R24 IonicContact OD2-CZ 2.87Å; D20-R24 IonicContact OD2-NE 3.77Å; D20-R24 PolarHBondContact OD2-NE 3.26Å; D20-R24 VanDerWaalsContact OD2-NE 3.09Å; D20-R24 IonicContact OD2-NH2 2.88Å
21L94.1Very high95.8Very high43 Ų4330.3 Ų30.323%0.22515%0.148CC..Hα-helixtrans-59.3-48.1176.7179.967.5000112.4G19 R23 K25 L26 Y116 A118 E146 Y421G19-L21 VanDerWaalsContact C-N 3.33Å; G19-L21 PolarHBondContact O-N 3.27Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 2.99Å; L21-K25 HydrophobicContact CD1-CB 3.98Å; L21-K25 HydrophobicContact CD1-CG 4.11Å; L21-K25 WeakPolarHBondContact O-CB 3.24Å; L21-K25 PolarHBondContact O-N 3.33Å; L21-L26 HydrophobicContact CG-CG 4.41Å; L21-L26 PolarHBondContact O-N 3.2Å; L21-Y116 HydrophobicContact CD2-CE1 4.28Å; L21-A118 HydrophobicContact CD2-CB 4.09Å; L21-E146 HydrophobicContact CD2-CG 3.52Å; L21-Y421 HydrophobicContact CD1-CE1 3.82Å; L21-Y421 WeakPolarHBondContact CD1-OH 3.11Å
22A95.8Very high95.7Very high1 Ų131.4 Ų31.41%0.00815%0.153CC..Iπ-helixtrans-59-47.4179.900000110.9I14 A17 G19 D20 L26 L27I14-A22 HydrophobicContact CG2-CB 4.23Å; A17-A22 WeakPolarHBondContact O-CB 3.12Å; G19-A22 PolarHBondContact O-N 2.87Å; D20-A22 PolarHBondContact O-N 3.25Å; A22-L26 HydrophobicContact CB-CD1 4.4Å; A22-L26 PolarHBondContact O-N 3.21Å; A22-L27 WeakPolarHBondContact O-CB 3.31Å; A22-L27 WeakPolarHBondContact O-CG 3.31Å; A22-L27 PolarHBondContact O-N 2.83Å
23R96.1Very high95.5Very high74 Ų7431.3 Ų31.328%0.27915%0.153SC..Iπ-helixtrans-70.2-41.2-177.3-66.8176.663.6-154.3-1.2113.9K18 G19 D20 L21 P28 A65 F69K18-R23 WeakPolarHBondContact O-CD 3.31Å; G19-R23 WeakPolarHBondContact O-CG 3.46Å; G19-R23 PolarHBondContact O-N 3.35Å; G19-R23 VanDerWaalsContact O-N 3.14Å; D20-R23 PolarHBondContact O-N 3.32Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 2.99Å; R23-P28 VanDerWaalsContact O-CD 3.27Å; R23-P28 WeakPolarHBondContact O-CD 3.46Å; R23-A65 HydrophobicContact CB-CB 3.94Å; R23-A65 HydrophobicContact CG-CB 3.98Å; R23-F69 HydrophobicContact CB-CD2 4.2Å; R23-F69 HydrophobicContact CB-CE2 3.88Å; R23-F69 WeakPolarHBondContact O-CD2 3.14Å
24R94.9Very high95.4Very high131 Ų13132.3 Ų32.349%0.49416%0.157SC..Iπ-helixtrans-86.7-26.2-174.3-65.4-166.3-170.8-163.26.4114.2D20 F69D20-R24 WeakPolarHBondContact O-CB 3.34Å; D20-R24 WeakPolarHBondContact O-CG 3.49Å; D20-R24 PolarHBondContact O-N 3.32Å; D20-R24 IonicContact OD1-CZ 2.7Å; D20-R24 VanDerWaalsContact OD1-CZ 3.22Å; D20-R24 IonicContact OD1-NE 3.65Å; D20-R24 PolarHBondContact OD1-NE 3.48Å; D20-R24 IonicContact OD1-NH2 3.05Å; D20-R24 PolarHBondContact OD1-NH2 2.97Å; D20-R24 VanDerWaalsContact OD1-NH2 3.09Å; D20-R24 VanDerWaalsContact OD2-CD 3.29Å; D20-R24 WeakPolarHBondContact OD2-CD 3.48Å; D20-R24 IonicContact OD2-CZ 2.87Å; D20-R24 IonicContact OD2-NE 3.77Å; D20-R24 PolarHBondContact OD2-NE 3.26Å; D20-R24 VanDerWaalsContact OD2-NE 3.09Å; D20-R24 IonicContact OD2-NH2 2.88Å; R24-F69 HydrophobicContact CB-CD1 4.49Å; R24-F69 HydrophobicContact CB-CG 4.44Å; R24-F69 HydrophobicContact CG-CD1 3.73Å; R24-F69 HydrophobicContact CG-CD2 4Å; R24-F69 HydrophobicContact CG-CE1 3.55Å; R24-F69 HydrophobicContact CG-CE2 3.82Å; R24-F69 HydrophobicContact CG-CG 3.96Å; R24-F69 HydrophobicContact CG-CZ 3.59Å
25K95.4Very high95.2Very high78 Ų7836.8 Ų36.834%0.33918%0.177SC..Iπ-helixtrans-123.7-61.3-171.8-66.7-62.3-168.3172.70112.2L21 P28 S29 D419 Y421L21-K25 HydrophobicContact CD1-CB 3.98Å; L21-K25 HydrophobicContact CD1-CG 4.11Å; L21-K25 WeakPolarHBondContact O-CB 3.24Å; L21-K25 PolarHBondContact O-N 3.33Å; K25-P28 WeakPolarHBondContact O-CD 3.35Å; K25-S29 VanDerWaalsContact O-CB 3.29Å; K25-S29 WeakPolarHBondContact O-CB 3.45Å; K25-S29 PolarHBondContact O-N 3.15Å; K25-S29 PolarHBondContact O-OG 3.05Å; K25-D419 IonicContact NZ-OD1 2.69Å; K25-D419 PolarHBondContact NZ-OD1 2.75Å; K25-D419 IonicContact NZ-OD2 3.44Å; K25-Y421 HydrophobicContact CB-CD1 4.26Å; K25-Y421 HydrophobicContact CB-CD2 3.93Å; K25-Y421 HydrophobicContact CB-CE1 4.46Å; K25-Y421 HydrophobicContact CB-CE2 4.19Å; K25-Y421 HydrophobicContact CB-CG 3.97Å; K25-Y421 HydrophobicContact CD-CD2 3.91Å; K25-Y421 HydrophobicContact CD-CE2 4.18Å; K25-Y421 HydrophobicContact CG-CD2 4.01Å; K25-Y421 HydrophobicContact CG-CE2 3.97Å
26L97.2Very high94.9Very high0 Ų039.3 Ų39.30%020%0.198CC..Iπ-helixtrans-65.1-49.3-170.2-51.3-177.2000113I14 L21 A22 S29 L30 Y116 A118 Y421 L425I14-L26 HydrophobicContact CG2-CD1 4.02Å; L21-L26 HydrophobicContact CG-CG 4.41Å; L21-L26 PolarHBondContact O-N 3.2Å; A22-L26 HydrophobicContact CB-CD1 4.4Å; A22-L26 PolarHBondContact O-N 3.21Å; L26-S29 PolarHBondContact O-N 2.98Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.46Å; L26-Y116 HydrophobicContact CD1-CD1 3.6Å; L26-Y116 HydrophobicContact CD1-CD2 4.45Å; L26-Y116 HydrophobicContact CD1-CE1 3.54Å; L26-Y116 HydrophobicContact CD1-CE2 4.38Å; L26-Y116 HydrophobicContact CD1-CG 4.1Å; L26-Y116 HydrophobicContact CD2-CE1 3.95Å; L26-Y116 HydrophobicContact CD2-CE2 3.86Å; L26-Y116 WeakPolarHBondContact CD2-OH 3.41Å; L26-Y116 HydrophobicContact CG-CE1 4.37Å; L26-A118 HydrophobicContact CD1-CB 4Å; L26-Y421 HydrophobicContact CD2-CD1 3.54Å; L26-Y421 HydrophobicContact CD2-CE1 4Å; L26-Y421 HydrophobicContact CD2-CG 4.49Å; L26-L425 HydrophobicContact CD2-CD1 4.32Å
27L97.1Very high94.8Very high5 Ų540.8 Ų40.83%0.02621%0.213CC..Hα-helixtrans-64.8-47.8-178.8-64.4173.6000111.9A22 S29 L30 Y31 V62 A65 L66A22-L27 WeakPolarHBondContact O-CB 3.31Å; A22-L27 WeakPolarHBondContact O-CG 3.31Å; A22-L27 PolarHBondContact O-N 2.83Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.26Å; L27-L30 HydrophobicContact CD2-CD1 4.47Å; L27-L30 PolarHBondContact O-N 2.68Å; L27-Y31 PolarHBondContact O-N 2.79Å; L27-V62 HydrophobicContact CD1-CB 4.36Å; L27-V62 HydrophobicContact CD1-CG1 4.19Å; L27-V62 HydrophobicContact CD1-CG2 3.95Å; L27-V62 HydrophobicContact CD2-CG1 4.06Å; L27-V62 HydrophobicContact CD2-CG2 4.07Å; L27-A65 HydrophobicContact CD1-CB 4.12Å; L27-L66 HydrophobicContact CB-CD2 4.26Å
28P96.5Very high94.8Very high17 Ų1742.8 Ų42.811%0.1122%0.222CC..Hα-helixtrans-55.5-43.2170.7-3037.5000113.6R23 K25 L30 Y31 Q32 L66 F69 M70R23-P28 VanDerWaalsContact O-CD 3.27Å; R23-P28 WeakPolarHBondContact O-CD 3.46Å; K25-P28 WeakPolarHBondContact O-CD 3.35Å; P28-L30 PolarHBondContact O-N 3.19Å; P28-Y31 WeakPolarHBondContact O-CB 3.47Å; P28-Y31 PolarHBondContact O-N 3.22Å; P28-Q32 WeakPolarHBondContact O-CG 3.44Å; P28-Q32 PolarHBondContact O-N 3.23Å; P28-L66 HydrophobicContact CG-CD2 4.31Å; P28-F69 HydrophobicContact CG-CB 4.4Å; P28-M70 HydrophobicContact CB-CG 4.09Å; P28-M70 HydrophobicContact CG-CG 4.38Å
29S96.3Very high95Very high5 Ų536.3 Ų36.34%0.03519%0.194CC..Hα-helixtrans-63.4-39.6177.4-69.50000112.7K25 L26 L27 Y31 Q32 L33 Y421 E422K25-S29 VanDerWaalsContact O-CB 3.29Å; K25-S29 WeakPolarHBondContact O-CB 3.45Å; K25-S29 PolarHBondContact O-N 3.15Å; K25-S29 PolarHBondContact O-OG 3.05Å; L26-S29 PolarHBondContact O-N 2.98Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.26Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 2.93Å; S29-Q32 PolarHBondContact O-N 3.46Å; S29-L33 WeakPolarHBondContact O-CG 3.36Å; S29-L33 PolarHBondContact O-N 3.46Å; S29-Y421 WeakPolarHBondContact OG-CB 3.49Å; S29-E422 PolarHBondContact OG-N 3.35Å
30L96.9Very high95.2Very high2 Ų236.4 Ų36.41%0.0119%0.188CC..Hα-helixtrans-64.7-38.1175.3-71.5165000112L12 I14 L26 L27 P28 L33 E34 I45 L425 M429L12-L30 HydrophobicContact CD2-CD1 3.89Å; L12-L30 HydrophobicContact CD2-CD2 3.68Å; L12-L30 HydrophobicContact CD2-CG 4.37Å; I14-L30 HydrophobicContact CD1-CD1 4.02Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.46Å; L27-L30 HydrophobicContact CD2-CD1 4.47Å; L27-L30 PolarHBondContact O-N 2.68Å; P28-L30 PolarHBondContact O-N 3.19Å; L30-L33 PolarHBondContact O-N 3.43Å; L30-E34 PolarHBondContact O-N 2.93Å; L30-I45 HydrophobicContact CB-CD1 4.41Å; L30-I45 HydrophobicContact CD1-CD1 4.04Å; L30-I45 HydrophobicContact CD1-CG1 4.34Å; L30-I45 HydrophobicContact CD1-CG2 4.09Å; L30-I45 HydrophobicContact CD2-CD1 4.34Å; L30-I45 HydrophobicContact CG-CD1 4.5Å; L30-L425 HydrophobicContact CD2-CD1 4.29Å; L30-L425 HydrophobicContact CG-CD1 4.15Å; L30-M429 HydrophobicContact CD2-CE 3.73Å
31Y97Very high95.3Very high2 Ų237.1 Ų37.11%0.00820%0.197CC..Hα-helixtrans-61.9-45.3173.3179.1-86.7000111.7L27 P28 S29 L33 E34 K35 L66 M70 I74 D75 L78 L82L27-Y31 PolarHBondContact O-N 2.79Å; P28-Y31 WeakPolarHBondContact O-CB 3.47Å; P28-Y31 PolarHBondContact O-N 3.22Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 2.93Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 3.13Å; Y31-E34 PolarHBondContact O-N 2.97Å; Y31-K35 HydrophobicContact CE1-CD 4.4Å; Y31-K35 WeakPolarHBondContact O-CB 3.29Å; Y31-K35 PolarHBondContact O-N 3.41Å; Y31-L66 HydrophobicContact CD2-CD1 3.97Å; Y31-L66 HydrophobicContact CG-CD1 4.44Å; Y31-M70 HydrophobicContact CD1-CE 3.83Å; Y31-M70 HydrophobicContact CD1-SD 3.45Å; Y31-M70 WeakPolarHBondContact CD1-SD 3.15Å; Y31-M70 HydrophobicContact CD2-CE 4.48Å; Y31-M70 HydrophobicContact CE1-CE 3.76Å; Y31-M70 HydrophobicContact CE1-SD 3.98Å; Y31-M70 HydrophobicContact CE2-CE 4.43Å; Y31-M70 HydrophobicContact CG-CE 4.19Å; Y31-M70 HydrophobicContact CG-SD 3.8Å; Y31-I74 HydrophobicContact CE2-CG2 4.1Å; Y31-D75 PolarHBondContact OH-N 3.45Å; Y31-L78 HydrophobicContact CE2-CB 4.27Å; Y31-L82 HydrophobicContact CD2-CD2 3.86Å; Y31-L82 HydrophobicContact CG-CD2 4.41Å
32Q95.2Very high95.4Very high23 Ų2339.7 Ų39.711%0.10721%0.211CC..Hα-helixtrans-64.2-37.7176.9-64.2-56.2-33.300112.3P28 S29 K35 A36 E72 E422P28-Q32 WeakPolarHBondContact O-CG 3.44Å; P28-Q32 PolarHBondContact O-N 3.23Å; S29-Q32 PolarHBondContact O-N 3.46Å; Q32-K35 PolarHBondContact O-N 2.82Å; Q32-A36 WeakPolarHBondContact O-CB 3.42Å; Q32-A36 PolarHBondContact O-N 3.06Å; Q32-E72 PolarHBondContact NE2-OE1 2.89Å; Q32-E422 HydrophobicContact CB-CG 4.32Å; Q32-E422 WeakPolarHBondContact CB-OE2 3.32Å
33L95.2Very high95.5Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..Hα-helixtrans-64.1-38.5174-71.3174.9000112.8S29 L30 Y31 A36 G37 Q38 L39 E422 L425 L426S29-L33 WeakPolarHBondContact O-CG 3.36Å; S29-L33 PolarHBondContact O-N 3.46Å; L30-L33 PolarHBondContact O-N 3.43Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 3.13Å; L33-A36 PolarHBondContact O-N 3.31Å; L33-G37 PolarHBondContact O-N 3.39Å; L33-Q38 HydrophobicContact CD2-CB 3.99Å; L33-Q38 HydrophobicContact CD2-CG 4.4Å; L33-Q38 PolarHBondContact O-N 2.89Å; L33-L39 HydrophobicContact CB-CD1 4.25Å; L33-L39 HydrophobicContact CB-CD2 3.75Å; L33-L39 HydrophobicContact CB-CG 3.76Å; L33-L39 HydrophobicContact CD1-CD2 3.98Å; L33-L39 HydrophobicContact CG-CD2 4.48Å; L33-E422 HydrophobicContact CD2-CG 3.54Å; L33-E422 HydrophobicContact CG-CG 3.69Å; L33-L425 HydrophobicContact CD1-CB 4.07Å; L33-L426 HydrophobicContact CD1-CB 4.37Å; L33-L426 HydrophobicContact CD2-CB 3.95Å; L33-L426 HydrophobicContact CD2-CD1 4.45Å; L33-L426 HydrophobicContact CD2-CD2 4.06Å; L33-L426 HydrophobicContact CD2-CG 4.38Å
34E95.1Very high95.5Very high20 Ų2039 Ų399%0.09321%0.208CC..Hα-helixtrans-65.1-47.1173.7-168.872.5-140.600110.6L30 Y31 A36 G37 L39 T81 L82 R85L30-E34 PolarHBondContact O-N 2.93Å; Y31-E34 PolarHBondContact O-N 2.97Å; E34-A36 PolarHBondContact O-N 3.19Å; E34-G37 WeakPolarHBondContact O-CA 3.38Å; E34-G37 PolarHBondContact O-N 3.08Å; E34-L39 HydrophobicContact CB-CD1 4.17Å; E34-L39 WeakPolarHBondContact OE2-CD1 3.33Å; E34-T81 HydrophobicContact CG-CG2 4.47Å; E34-T81 VanDerWaalsContact OE1-CG2 3.25Å; E34-T81 WeakPolarHBondContact OE1-CG2 3.43Å; E34-L82 HydrophobicContact CB-CD1 4.47Å; E34-L82 HydrophobicContact CG-CB 4.48Å; E34-R85 IonicContact OE1-CZ 3.48Å; E34-R85 IonicContact OE1-NE 3.22Å; E34-R85 IonicContact OE1-NH2 3.24Å; E34-R85 PolarHBondContact OE1-NH2 2.95Å; E34-R85 IonicContact OE2-CZ 2.74Å; E34-R85 IonicContact OE2-NE 2.67Å; E34-R85 PolarHBondContact OE2-NE 3.14Å; E34-R85 IonicContact OE2-NH2 3.57Å; E34-R85 PolarHBondContact OE2-NH2 3.1Å
35K94.2Very high95.7Very high95 Ų9532.8 Ų32.841%0.41319%0.185SC..Hα-helixtrans-56.9-37.6176.6-175-179.8-174.6-1720112.4Y31 Q32 G37 E72 L78Y31-K35 HydrophobicContact CE1-CD 4.4Å; Y31-K35 WeakPolarHBondContact O-CB 3.29Å; Y31-K35 PolarHBondContact O-N 3.41Å; Q32-K35 PolarHBondContact O-N 2.82Å; K35-G37 VanDerWaalsContact C-N 3.26Å; K35-G37 PolarHBondContact O-N 3.4Å; K35-E72 IonicContact NZ-OE1 2.72Å; K35-E72 PolarHBondContact NZ-OE1 2.87Å; K35-E72 IonicContact NZ-OE2 3.3Å; K35-E72 PolarHBondContact NZ-OE2 2.92Å; K35-L78 HydrophobicContact CB-CD1 3.82Å; K35-L78 HydrophobicContact CD-CD1 4.39Å; K35-L78 HydrophobicContact CG-CD1 3.69Å
36A92.1Very high95.8Very high54 Ų5429 Ų2945%0.44617%0.169SC..THydrogen-bonded Turntrans-81.20.4176.500000114Q32 L33 E34 Q38Q32-A36 WeakPolarHBondContact O-CB 3.42Å; Q32-A36 PolarHBondContact O-N 3.06Å; L33-A36 PolarHBondContact O-N 3.31Å; E34-A36 PolarHBondContact O-N 3.19Å; A36-Q38 HydrophobicContact CB-CG 3.9Å; A36-Q38 PolarHBondContact O-N 3.18Å; A36-Q38 PolarHBondContact O-NE2 3.35Å
37G93.4Very high95.9Very high46 Ų4629 Ų2947%0.47417%0.169SC..THydrogen-bonded Turntrans63.125.4-178.300000113.9L33 E34 K35L33-G37 PolarHBondContact O-N 3.39Å; E34-G37 WeakPolarHBondContact O-CA 3.38Å; E34-G37 PolarHBondContact O-N 3.08Å; K35-G37 VanDerWaalsContact C-N 3.26Å; K35-G37 PolarHBondContact O-N 3.4Å
38Q94.3Very high95.9Very high44 Ų4428.9 Ų28.921%0.20617%0.168CC..  trans-89.4-18.8-176.1-64.6-61.7-48.200113.1A7 L33 A36 L426A7-Q38 PolarHBondContact N-O 2.8Å; L33-Q38 HydrophobicContact CD2-CB 3.99Å; L33-Q38 HydrophobicContact CD2-CG 4.4Å; L33-Q38 PolarHBondContact O-N 2.89Å; A36-Q38 HydrophobicContact CB-CG 3.9Å; A36-Q38 PolarHBondContact O-N 3.18Å; A36-Q38 PolarHBondContact O-NE2 3.35Å; Q38-L426 HydrophobicContact CB-CD1 4.01Å; Q38-L426 HydrophobicContact CB-CD2 4.23Å; Q38-L426 HydrophobicContact CG-CD2 4.2Å
39L95.2Very high95.9Very high7 Ų729 Ų294%0.03717%0.172CC..SBendtrans-79137.1176.9-61.4-173.2000111.2L33 E34 M429L33-L39 HydrophobicContact CB-CD1 4.25Å; L33-L39 HydrophobicContact CB-CD2 3.75Å; L33-L39 HydrophobicContact CB-CG 3.76Å; L33-L39 HydrophobicContact CD1-CD2 3.98Å; L33-L39 HydrophobicContact CG-CD2 4.48Å; E34-L39 HydrophobicContact CB-CD1 4.17Å; E34-L39 WeakPolarHBondContact OE2-CD1 3.33Å; L39-M429 HydrophobicContact CD2-CE 3.81Å; L39-M429 HydrophobicContact CD2-SD 3.56Å; L39-M429 VanDerWaalsContact CD2-SD 3.56Å
40N95.3Very high95.8Very high29 Ų2937.8 Ų37.816%0.15520%0.204CC..  trans-65.1137.7173-165-72.1000110A7 A9 D42 T43 R85A7-N40 VanDerWaalsContact O-CB 3.3Å; A7-N40 WeakPolarHBondContact O-CB 2.83Å; A7-N40 PolarHBondContact O-ND2 2.99Å; A9-N40 HydrophobicContact CB-CB 4.45Å; N40-D42 PolarHBondContact O-N 3.35Å; N40-D42 VanDerWaalsContact O-N 3.08Å; N40-D42 PolarHBondContact OD1-N 3.46Å; N40-T43 WeakPolarHBondContact CB-OG1 3.49Å; N40-T43 PolarHBondContact N-OG1 2.81Å; N40-T43 VanDerWaalsContact O-CB 3.23Å; N40-T43 WeakPolarHBondContact O-CB 3.27Å; N40-T43 PolarHBondContact O-N 2.82Å; N40-T43 PolarHBondContact O-OG1 3.31Å; N40-R85 PolarHBondContact O-NH1 3.29Å
41P94.5Very high95.6Very high102 Ų10239 Ų3966%0.66222%0.215SC*.THydrogen-bonded Turntrans-52-30.4175.8-29.136.5000114.8T43 R85P41-T43 VanDerWaalsContact C-N 3.35Å; P41-R85 VanDerWaalsContact C-NH1 3.27Å; P41-R85 PolarHBondContact O-NH1 3.33Å
42D95.5Very high95.4Very high97 Ų9746.2 Ų46.252%0.51925%0.254SS..THydrogen-bonded Turntrans-88.32.8178.9-68-45.4000114A9 N40 R111A9-D42 HydrophobicContact CB-CB 3.83Å; N40-D42 PolarHBondContact O-N 3.35Å; N40-D42 VanDerWaalsContact O-N 3.08Å; N40-D42 PolarHBondContact OD1-N 3.46Å; D42-R111 WeakPolarHBondContact O-CD 3.37Å; D42-R111 PolarHBondContact O-NE 2.95Å
43T97.2Very high95.4Very high2 Ų247.9 Ų47.91%0.01226%0.259CS..  trans-66.9133178.9-57.40000111.6C10 N40 P41 R85C10-T43 VanDerWaalsContact O-CA 3.3Å; C10-T43 WeakPolarHBondContact O-CA 3.02Å; N40-T43 WeakPolarHBondContact CB-OG1 3.49Å; N40-T43 PolarHBondContact N-OG1 2.81Å; N40-T43 VanDerWaalsContact O-CB 3.23Å; N40-T43 WeakPolarHBondContact O-CB 3.27Å; N40-T43 PolarHBondContact O-N 2.82Å; N40-T43 PolarHBondContact O-OG1 3.31Å; P41-T43 VanDerWaalsContact C-N 3.35Å; T43-R85 WeakPolarHBondContact O-CD 3.34Å; T43-R85 WeakPolarHBondContact O-CG 3.46Å; T43-R85 PolarHBondContact O-NH1 3.08Å
44R98Very high95.4Very high58 Ų5852.7 Ų52.722%0.21929%0.285CS..EExtended strand (participates in β ladder)trans-113.2149.5169.8-62.6-18064.8-159.51.6111C10 D11 L12 D87 M105C10-R44 PolarHBondContact O-N 2.85Å; D11-R44 WeakPolarHBondContact OD1-CB 3.46Å; L12-R44 PolarHBondContact N-O 2.77Å; R44-D87 IonicContact NH2-OD2 3.98Å; R44-D87 PolarHBondContact NH2-OD2 2.71Å; R44-M105 PolarHBondContact NH1-O 2.79Å
45I98.2Very high95.4Very high1 Ų156 Ų561%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-122.4109.2178.7-59.7157.6000107.7L12 I14 L30 L82 R85 L86 D87L12-I45 CarbonylContact O-C 3.57Å; L12-I45 WeakPolarHBondContact O-CA 3.48Å; I14-I45 HydrophobicContact CD1-CG2 4.01Å; L30-I45 HydrophobicContact CB-CD1 4.41Å; L30-I45 HydrophobicContact CD1-CD1 4.04Å; L30-I45 HydrophobicContact CD1-CG1 4.34Å; L30-I45 HydrophobicContact CD1-CG2 4.09Å; L30-I45 HydrophobicContact CD2-CD1 4.34Å; L30-I45 HydrophobicContact CG-CD1 4.5Å; I45-L82 HydrophobicContact CD1-CD1 3.73Å; I45-R85 PolarHBondContact N-O 2.94Å; I45-L86 HydrophobicContact CB-CD2 3.97Å; I45-L86 HydrophobicContact CD1-CD2 4.36Å; I45-L86 HydrophobicContact CG2-CD2 4Å; I45-L86 WeakPolarHBondContact O-CA 3.49Å; I45-D87 PolarHBondContact O-N 2.89Å
46I98.4Very high95.6Very high0 Ų054.7 Ų54.70%031%0.306CS..EExtended strand (participates in β ladder)trans-108.8109.8-173-56.6169.3000108.5D11 L12 V13 I14 D87 C89 L102 M105 L106D11-I46 HydrophobicContact CB-CD1 4.31Å; L12-I46 PolarHBondContact O-N 3.2Å; V13-I46 CarbonylContact C-O 3.54Å; V13-I46 WeakPolarHBondContact CA-O 3.33Å; V13-I46 HydrophobicContact CG2-CB 4.5Å; I14-I46 PolarHBondContact N-O 3.35Å; I46-D87 CarbonylContact C-O 3.53Å; I46-D87 WeakPolarHBondContact CA-O 3.43Å; I46-D87 HydrophobicContact CG1-CB 4.33Å; I46-C89 HydrophobicContact CG2-CB 4.19Å; I46-L102 HydrophobicContact CG2-CD1 4.33Å; I46-M105 HydrophobicContact CG2-CE 4.13Å; I46-L106 HydrophobicContact CD1-CD2 3.68Å
47G98.3Very high95.8Very high0 Ų053.7 Ų53.70%030%0.297CS..EExtended strand (participates in β ladder)trans-74.1137.5171.800000111D87 F88 C89G47-D87 PolarHBondContact N-O 2.89Å; G47-F88 CarbonylContact O-C 3.48Å; G47-F88 WeakPolarHBondContact O-CA 3.45Å; G47-F88 VanDerWaalsContact O-CD2 3.29Å; G47-F88 WeakPolarHBondContact O-CD2 3.33Å; G47-C89 PolarHBondContact O-N 2.78Å
48V98.1Very high96Very high1 Ų151.5 Ų51.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-121.2133.3175.4175.70000110.5V13 I14 F15 G16 A17 C89 L91 L102V13-V48 HydrophobicContact CG1-CG2 3.39Å; I14-V48 PolarHBondContact O-N 3.33Å; F15-V48 HydrophobicContact CD1-CB 4.04Å; F15-V48 HydrophobicContact CD1-CG1 3.63Å; F15-V48 HydrophobicContact CE1-CB 4.36Å; F15-V48 HydrophobicContact CE1-CG1 3.81Å; F15-V48 HydrophobicContact CE1-CG2 4.44Å; F15-V48 HydrophobicContact CG-CB 4.37Å; F15-V48 HydrophobicContact CG-CG1 4.43Å; G16-V48 PolarHBondContact N-O 2.97Å; A17-V48 PolarHBondContact N-O 3Å; V48-C89 HydrophobicContact CG2-CB 4.15Å; V48-L91 HydrophobicContact CG1-CB 3.95Å; V48-L91 HydrophobicContact CG1-CD2 3.92Å; V48-L91 HydrophobicContact CG1-CG 4.43Å; V48-L102 HydrophobicContact CG2-CD1 4.32Å
49G95.8Very high96.2Very high19 Ų1950.7 Ų50.720%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-178.9-179.9171.400000113.3A51 C89 N90 L91G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 2.86Å; G49-C89 PolarHBondContact N-O 3.46Å; G49-N90 WeakPolarHBondContact O-CA 3.15Å; G49-L91 CarbonylContact C-O 3.58Å; G49-L91 VanDerWaalsContact C-O 3.28Å; G49-L91 PolarHBondContact O-N 3.26Å
50R94.8Very high96.2Very high190 Ų19056.9 Ų56.972%0.71730%0.3SS*.SBendtrans-79.4-7.5-177-63179.5-66.2177.2-1114.6N90 D92R50-N90 PolarHBondContact O-ND2 2.88Å; R50-D92 WeakPolarHBondContact CD-OD2 3.24Å; R50-D92 HydrophobicContact CG-CB 4.17Å
51A93.1Very high96.3Very high29 Ų2956.7 Ų56.724%0.2430%0.299CS..SBendtrans-68.9140-179.700000110G49 W53 F88 N90G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 2.86Å; A51-W53 VanDerWaalsContact C-N 3.27Å; A51-W53 HydrophobicContact CB-CD2 3.55Å; A51-W53 HydrophobicContact CB-CE3 4.01Å; A51-W53 HydrophobicContact CB-CG 3.86Å; A51-W53 HydrophobicContact CB-CH2 4.44Å; A51-W53 HydrophobicContact CB-CZ2 4.02Å; A51-W53 HydrophobicContact CB-CZ3 4.43Å; A51-W53 PolarHBondContact O-N 3.33Å; A51-W53 VanDerWaalsContact O-N 3.08Å; A51-F88 HydrophobicContact CB-CZ 4.36Å; A51-F88 VanDerWaalsContact O-CE1 3.26Å; A51-F88 WeakPolarHBondContact O-CE1 3.37Å; A51-N90 VanDerWaalsContact C-ND2 3.31Å; A51-N90 PolarHBondContact O-ND2 2.94Å
52D92.8Very high96.4Very high153 Ų15351.9 Ų51.982%0.81827%0.268SS*.  trans-84.777.1173.5-165.622.9000108.7
53W94.5Very high96.5Very high58 Ų5850.4 Ų50.422%0.2226%0.255CS..  trans-112.8137.2-178.7-68.9-18.2000110.4K18 A51 A57 Y58 V61 F88K18-W53 HydrophobicContact CB-CH2 4.12Å; K18-W53 HydrophobicContact CB-CZ3 4.39Å; K18-W53 HydrophobicContact CD-CH2 3.71Å; K18-W53 HydrophobicContact CD-CZ2 4.15Å; K18-W53 HydrophobicContact CG-CH2 3.91Å; A51-W53 VanDerWaalsContact C-N 3.27Å; A51-W53 HydrophobicContact CB-CD2 3.55Å; A51-W53 HydrophobicContact CB-CE3 4.01Å; A51-W53 HydrophobicContact CB-CG 3.86Å; A51-W53 HydrophobicContact CB-CH2 4.44Å; A51-W53 HydrophobicContact CB-CZ2 4.02Å; A51-W53 HydrophobicContact CB-CZ3 4.43Å; A51-W53 PolarHBondContact O-N 3.33Å; A51-W53 VanDerWaalsContact O-N 3.08Å; W53-A57 HydrophobicContact CB-CB 4.02Å; W53-A57 HydrophobicContact CG-CB 4.11Å; W53-Y58 HydrophobicContact CE3-CD2 4.18Å; W53-Y58 HydrophobicContact CZ3-CD2 4.29Å; W53-V61 HydrophobicContact CE3-CG2 4.45Å; W53-V61 HydrophobicContact CH2-CB 4.34Å; W53-V61 HydrophobicContact CH2-CG1 3.93Å; W53-V61 HydrophobicContact CH2-CG2 3.71Å; W53-V61 HydrophobicContact CZ2-CG2 3.87Å; W53-V61 HydrophobicContact CZ3-CB 4.35Å; W53-V61 HydrophobicContact CZ3-CG1 4.05Å; W53-V61 HydrophobicContact CZ3-CG2 4.03Å; W53-F88 HydrophobicContact CB-CD1 3.79Å; W53-F88 HydrophobicContact CB-CE1 4.04Å; W53-F88 HydrophobicContact CB-CG 4.17Å; W53-F88 HydrophobicContact CE3-CD2 4.03Å; W53-F88 HydrophobicContact CE3-CE1 4.42Å; W53-F88 AromaticContact CE3-CE2 3.64Å; W53-F88 HydrophobicContact CE3-CE2 3.64Å; W53-F88 AromaticContact CE3-CZ 3.85Å; W53-F88 HydrophobicContact CE3-CZ 3.85Å; W53-F88 HydrophobicContact CZ3-CE2 4.14Å; W53-F88 WeakPolarHBondContact O-CD1 3.46Å
54D94.6Very high96.5Very high101 Ų10154.3 Ų54.354%0.5427%0.273SS..  trans-86.6178.816368.54.5000110.8A56 A57 Y58D54-A56 VanDerWaalsContact C-N 3.28Å; D54-A56 PolarHBondContact O-N 2.99Å; D54-A56 PolarHBondContact OD1-N 2.97Å; D54-A57 PolarHBondContact O-N 2.98Å; D54-A57 VanDerWaalsContact OD1-CB 3.28Å; D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 3.12Å; D54-Y58 PolarHBondContact O-N 3Å
55K96.1Very high96.4Very high90 Ų9051.5 Ų51.539%0.39126%0.263SS..Hα-helixtrans-55.5-42.2176.8176.6170.6177.9155.70112.2Y58 T59 A84 L86K55-Y58 PolarHBondContact O-N 3.17Å; K55-T59 WeakPolarHBondContact O-CB 3.39Å; K55-T59 PolarHBondContact O-N 2.97Å; K55-T59 PolarHBondContact O-OG1 3.05Å; K55-A84 PolarHBondContact NZ-O 3.19Å; K55-L86 VanDerWaalsContact CD-O 3.32Å; K55-L86 WeakPolarHBondContact CD-O 3.34Å; K55-L86 WeakPolarHBondContact CE-O 3.36Å; K55-L86 PolarHBondContact NZ-O 2.92Å; K55-L86 VanDerWaalsContact NZ-O 3.15Å
56A97Very high96.4Very high67 Ų6751.5 Ų51.555%0.55426%0.263SS*.Hα-helixtrans-66.4-44.1-17700000111.9D54 T59 K60D54-A56 VanDerWaalsContact C-N 3.28Å; D54-A56 PolarHBondContact O-N 2.99Å; D54-A56 PolarHBondContact OD1-N 2.97Å; A56-T59 PolarHBondContact O-N 3.39Å; A56-K60 PolarHBondContact O-N 2.77Å; A56-K60 VanDerWaalsContact O-N 3.08Å
57A96.9Very high96.3Very high33 Ų3356.7 Ų56.727%0.27329%0.287SS..Hα-helixtrans-62.2-44.9175.500000111.4W53 D54 K60 V61W53-A57 HydrophobicContact CB-CB 4.02Å; W53-A57 HydrophobicContact CG-CB 4.11Å; D54-A57 PolarHBondContact O-N 2.98Å; D54-A57 VanDerWaalsContact OD1-CB 3.28Å; D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 3.12Å; A57-K60 PolarHBondContact O-N 3.14Å; A57-V61 WeakPolarHBondContact O-CG2 3.17Å; A57-V61 PolarHBondContact O-N 3.37Å; A57-V61 VanDerWaalsContact O-N 3.1Å
58Y97.3Very high96.2Very high1 Ų160.8 Ų60.80%0.00431%0.312CS..Hα-helixtrans-65.5-42.6177.8-178.7-126.4000112.5A17 W53 D54 K55 K60 V61 V62 L86 D87 F88A17-Y58 HydrophobicContact CB-CE2 3.93Å; W53-Y58 HydrophobicContact CE3-CD2 4.18Å; W53-Y58 HydrophobicContact CZ3-CD2 4.29Å; D54-Y58 PolarHBondContact O-N 3Å; K55-Y58 PolarHBondContact O-N 3.17Å; Y58-K60 VanDerWaalsContact C-N 3.27Å; Y58-K60 PolarHBondContact O-N 3.48Å; Y58-V61 WeakPolarHBondContact O-CB 3.25Å; Y58-V61 PolarHBondContact O-N 3.38Å; Y58-V61 VanDerWaalsContact O-N 3.07Å; Y58-V62 HydrophobicContact CD1-CG2 4.38Å; Y58-V62 HydrophobicContact CD2-CG2 4.1Å; Y58-V62 HydrophobicContact CE1-CG2 3.99Å; Y58-V62 HydrophobicContact CE2-CG2 3.67Å; Y58-V62 HydrophobicContact CG-CG2 4.43Å; Y58-V62 WeakPolarHBondContact O-CG2 3.43Å; Y58-V62 PolarHBondContact O-N 3.48Å; Y58-L86 HydrophobicContact CD1-CB 4.27Å; Y58-L86 HydrophobicContact CE1-CB 4.35Å; Y58-L86 HydrophobicContact CE1-CD2 4.22Å; Y58-D87 WeakPolarHBondContact CD1-O 3.42Å; Y58-D87 WeakPolarHBondContact CE1-O 3.36Å; Y58-F88 HydrophobicContact CD1-CB 4.03Å; Y58-F88 HydrophobicContact CD1-CD2 4.21Å; Y58-F88 AromaticContact CD2-CD2 3.6Å; Y58-F88 HydrophobicContact CD2-CD2 3.6Å; Y58-F88 HydrophobicContact CD2-CE2 4.22Å; Y58-F88 HydrophobicContact CD2-CG 4.48Å; Y58-F88 HydrophobicContact CE2-CD2 4.05Å; Y58-F88 HydrophobicContact CG-CB 3.89Å; Y58-F88 AromaticContact CG-CD2 3.69Å; Y58-F88 HydrophobicContact CG-CD2 3.69Å; Y58-F88 HydrophobicContact CG-CG 4.17Å
59T97.8Very high96Very high27 Ų2763.8 Ų63.817%0.16633%0.325CS..Hα-helixtrans-56.7-40.8174.6-67.40000111.8K55 A56 V62 R63 W79 L86K55-T59 WeakPolarHBondContact O-CB 3.39Å; K55-T59 PolarHBondContact O-N 2.97Å; K55-T59 PolarHBondContact O-OG1 3.05Å; A56-T59 PolarHBondContact O-N 3.39Å; T59-V62 PolarHBondContact O-N 3.23Å; T59-R63 PolarHBondContact O-N 3.25Å; T59-W79 HydrophobicContact CG2-CH2 4Å; T59-W79 HydrophobicContact CG2-CZ2 3.46Å; T59-W79 VanDerWaalsContact CG2-CZ2 3.46Å; T59-W79 WeakPolarHBondContact O-CH2 3.17Å; T59-L86 HydrophobicContact CG2-CD1 4.36Å
60K97.1Very high95.8Very high137 Ų13764 Ų6460%0.59632%0.321SS*.Hα-helixtrans-62.6-45.1174.2-171.7-177.7179.6-168.20112.1A56 A57 Y58 V62 R63 E64A56-K60 PolarHBondContact O-N 2.77Å; A56-K60 VanDerWaalsContact O-N 3.08Å; A57-K60 PolarHBondContact O-N 3.14Å; Y58-K60 VanDerWaalsContact C-N 3.27Å; Y58-K60 PolarHBondContact O-N 3.48Å; K60-V62 VanDerWaalsContact C-N 3.31Å; K60-V62 PolarHBondContact O-N 3.4Å; K60-R63 PolarHBondContact O-N 3.44Å; K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 IonicContact NZ-OE1 3.86Å; K60-E64 WeakPolarHBondContact O-CG 3.36Å; K60-E64 PolarHBondContact O-N 3.48Å
61V95.9Very high95.5Very high24 Ų2465.7 Ų65.715%0.14533%0.334CS..Hα-helixtrans-61.3-40.7177.7171.30000111.6W53 A57 Y58 A65W53-V61 HydrophobicContact CE3-CG2 4.45Å; W53-V61 HydrophobicContact CH2-CB 4.34Å; W53-V61 HydrophobicContact CH2-CG1 3.93Å; W53-V61 HydrophobicContact CH2-CG2 3.71Å; W53-V61 HydrophobicContact CZ2-CG2 3.87Å; W53-V61 HydrophobicContact CZ3-CB 4.35Å; W53-V61 HydrophobicContact CZ3-CG1 4.05Å; W53-V61 HydrophobicContact CZ3-CG2 4.03Å; A57-V61 WeakPolarHBondContact O-CG2 3.17Å; A57-V61 PolarHBondContact O-N 3.37Å; A57-V61 VanDerWaalsContact O-N 3.1Å; Y58-V61 WeakPolarHBondContact O-CB 3.25Å; Y58-V61 PolarHBondContact O-N 3.38Å; Y58-V61 VanDerWaalsContact O-N 3.07Å; V61-A65 WeakPolarHBondContact O-CB 3.22Å; V61-A65 PolarHBondContact O-N 2.87Å
62V97.6Very high95.3Very high1 Ų167.6 Ų67.61%0.00634%0.338CS..Hα-helixtrans-65-45.3176.2174.20000110.4L27 Y58 T59 K60 E64 A65 L66 W79 L86L27-V62 HydrophobicContact CD1-CB 4.36Å; L27-V62 HydrophobicContact CD1-CG1 4.19Å; L27-V62 HydrophobicContact CD1-CG2 3.95Å; L27-V62 HydrophobicContact CD2-CG1 4.06Å; L27-V62 HydrophobicContact CD2-CG2 4.07Å; Y58-V62 HydrophobicContact CD1-CG2 4.38Å; Y58-V62 HydrophobicContact CD2-CG2 4.1Å; Y58-V62 HydrophobicContact CE1-CG2 3.99Å; Y58-V62 HydrophobicContact CE2-CG2 3.67Å; Y58-V62 HydrophobicContact CG-CG2 4.43Å; Y58-V62 WeakPolarHBondContact O-CG2 3.43Å; Y58-V62 PolarHBondContact O-N 3.48Å; T59-V62 PolarHBondContact O-N 3.23Å; K60-V62 VanDerWaalsContact C-N 3.31Å; K60-V62 PolarHBondContact O-N 3.4Å; V62-E64 PolarHBondContact O-N 2.99Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 2.82Å; V62-L66 HydrophobicContact CG1-CD1 4.31Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CG 3.38Å; V62-L66 PolarHBondContact O-N 3.02Å; V62-W79 HydrophobicContact CB-CH2 4.27Å; V62-W79 HydrophobicContact CG1-CH2 4.09Å; V62-W79 HydrophobicContact CG1-CZ3 4.01Å; V62-L86 HydrophobicContact CB-CD1 3.83Å; V62-L86 HydrophobicContact CG1-CD1 3.87Å; V62-L86 HydrophobicContact CG2-CD1 3.93Å; V62-L86 HydrophobicContact CG2-CD2 4.36Å
63R97.7Very high95.4Very high66 Ų6666.6 Ų66.625%0.24934%0.337CS..Hα-helixtrans-58.3-50.1177.1-168.9169.8174.8127-1111.9T59 K60 A65 L66 E67 I74 E76 W79T59-R63 PolarHBondContact O-N 3.25Å; K60-R63 PolarHBondContact O-N 3.44Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.7Å; R63-L66 PolarHBondContact O-N 2.81Å; R63-L66 VanDerWaalsContact O-N 3.11Å; R63-E67 HydrophobicContact CG-CG 4.36Å; R63-E67 IonicContact CZ-OE1 3.11Å; R63-E67 IonicContact NE-OE1 3.67Å; R63-E67 PolarHBondContact NE-OE1 3.26Å; R63-E67 IonicContact NH2-OE1 3.84Å; R63-E67 WeakPolarHBondContact O-CG 3.38Å; R63-E67 PolarHBondContact O-N 2.74Å; R63-I74 HydrophobicContact CG-CD1 4.22Å; R63-E76 IonicContact CZ-OE1 3.45Å; R63-E76 IonicContact CZ-OE2 2.73Å; R63-E76 IonicContact NH1-OE1 3.68Å; R63-E76 IonicContact NH1-OE2 2.84Å; R63-E76 PolarHBondContact NH1-OE2 3.21Å; R63-E76 IonicContact NH2-OE1 3.54Å; R63-E76 PolarHBondContact NH2-OE1 2.67Å; R63-E76 IonicContact NH2-OE2 3.63Å; R63-E76 PolarHBondContact NH2-OE2 2.81Å; R63-W79 HydrophobicContact CB-CH2 3.63Å; R63-W79 HydrophobicContact CB-CZ2 3.56Å; R63-W79 HydrophobicContact CB-CZ3 4.37Å; R63-W79 HydrophobicContact CG-CH2 4.34Å; R63-W79 HydrophobicContact CG-CZ2 4.04Å
64E96.8Very high95.5Very high84 Ų8464.9 Ų64.939%0.39333%0.332SS..Hα-helixtrans-57.9-38.8177.6-73.3174.5-175.800111.7K60 V62 T68K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 IonicContact NZ-OE1 3.86Å; K60-E64 WeakPolarHBondContact O-CG 3.36Å; K60-E64 PolarHBondContact O-N 3.48Å; V62-E64 PolarHBondContact O-N 2.99Å; E64-T68 WeakPolarHBondContact O-CB 3.42Å; E64-T68 PolarHBondContact O-N 3.25Å; E64-T68 PolarHBondContact O-OG1 3.19Å
65A96.2Very high95.6Very high0 Ų064.1 Ų64.10%033%0.328CS..Hα-helixtrans-65.1-44.517600000112.1R23 L27 V61 V62 R63 T68 F69R23-A65 HydrophobicContact CB-CB 3.94Å; R23-A65 HydrophobicContact CG-CB 3.98Å; L27-A65 HydrophobicContact CD1-CB 4.12Å; V61-A65 WeakPolarHBondContact O-CB 3.22Å; V61-A65 PolarHBondContact O-N 2.87Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 2.82Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.7Å; A65-T68 PolarHBondContact O-N 2.78Å; A65-F69 VanDerWaalsContact O-CD2 3.29Å; A65-F69 WeakPolarHBondContact O-CD2 3.12Å; A65-F69 PolarHBondContact O-N 2.83Å
66L97Very high95.6Very high1 Ų164.3 Ų64.31%0.00533%0.33CS..Hα-helixtrans-62.5-47176.6-65.9179.2000111.4L27 P28 Y31 V62 R63 T68 F69 M70 I74 W79 L82L27-L66 HydrophobicContact CB-CD2 4.26Å; P28-L66 HydrophobicContact CG-CD2 4.31Å; Y31-L66 HydrophobicContact CD2-CD1 3.97Å; Y31-L66 HydrophobicContact CG-CD1 4.44Å; V62-L66 HydrophobicContact CG1-CD1 4.31Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CG 3.38Å; V62-L66 PolarHBondContact O-N 3.02Å; R63-L66 PolarHBondContact O-N 2.81Å; R63-L66 VanDerWaalsContact O-N 3.11Å; L66-T68 PolarHBondContact O-N 2.74Å; L66-F69 PolarHBondContact O-N 3.4Å; L66-M70 HydrophobicContact CB-CE 4.19Å; L66-M70 HydrophobicContact CB-CG 4.49Å; L66-M70 HydrophobicContact CB-SD 4.42Å; L66-M70 HydrophobicContact CD2-CG 4.29Å; L66-M70 HydrophobicContact CD2-SD 3.93Å; L66-M70 VanDerWaalsContact O-CB 3.25Å; L66-M70 WeakPolarHBondContact O-CB 3.33Å; L66-M70 WeakPolarHBondContact O-CG 3.43Å; L66-M70 PolarHBondContact O-N 2.86Å; L66-I74 HydrophobicContact CB-CD1 3.69Å; L66-I74 HydrophobicContact CB-CG1 4.35Å; L66-I74 HydrophobicContact CD1-CD1 4.43Å; L66-W79 HydrophobicContact CD1-CE3 3.95Å; L66-W79 HydrophobicContact CD1-CZ3 3.65Å; L66-L82 HydrophobicContact CD1-CD2 4.2Å
67E96.7Very high95.6Very high109 Ų10963.2 Ų63.251%0.50933%0.326SS..Hα-helixtrans-61.1-32.4177.4-69.9173.4172.900112.4R63 I74R63-E67 HydrophobicContact CG-CG 4.36Å; R63-E67 IonicContact CZ-OE1 3.11Å; R63-E67 IonicContact NE-OE1 3.67Å; R63-E67 PolarHBondContact NE-OE1 3.26Å; R63-E67 IonicContact NH2-OE1 3.84Å; R63-E67 WeakPolarHBondContact O-CG 3.38Å; R63-E67 PolarHBondContact O-N 2.74Å; E67-I74 HydrophobicContact CG-CD1 3.57Å
68T95.7Very high95.6Very high86 Ų8663.6 Ų63.653%0.52832%0.323SS..Hα-helixtrans-79.2-40.7-179.2-57.70000112.8E64 A65 L66E64-T68 WeakPolarHBondContact O-CB 3.42Å; E64-T68 PolarHBondContact O-N 3.25Å; E64-T68 PolarHBondContact O-OG1 3.19Å; A65-T68 PolarHBondContact O-N 2.78Å; L66-T68 PolarHBondContact O-N 2.74Å
69F94.3Very high95.6Very high64 Ų6464.3 Ų64.328%0.28133%0.326SS..Hα-helixtrans-110.8-15.8-165.4-64.6-62.3000114.7R23 R24 P28 A65 L66R23-F69 HydrophobicContact CB-CD2 4.2Å; R23-F69 HydrophobicContact CB-CE2 3.88Å; R23-F69 WeakPolarHBondContact O-CD2 3.14Å; R24-F69 HydrophobicContact CB-CD1 4.49Å; R24-F69 HydrophobicContact CB-CG 4.44Å; R24-F69 HydrophobicContact CG-CD1 3.73Å; R24-F69 HydrophobicContact CG-CD2 4Å; R24-F69 HydrophobicContact CG-CE1 3.55Å; R24-F69 HydrophobicContact CG-CE2 3.82Å; R24-F69 HydrophobicContact CG-CG 3.96Å; R24-F69 HydrophobicContact CG-CZ 3.59Å; P28-F69 HydrophobicContact CG-CB 4.4Å; A65-F69 VanDerWaalsContact O-CD2 3.29Å; A65-F69 WeakPolarHBondContact O-CD2 3.12Å; A65-F69 PolarHBondContact O-N 2.83Å; L66-F69 PolarHBondContact O-N 3.4Å
70M92.6Very high95.6Very high23 Ų2367.9 Ų67.911%0.11334%0.344CS..  trans-80.7146.3170-61.5-161.2-41.800110.8P28 Y31 L66 E72 I74P28-M70 HydrophobicContact CB-CG 4.09Å; P28-M70 HydrophobicContact CG-CG 4.38Å; Y31-M70 HydrophobicContact CD1-CE 3.83Å; Y31-M70 HydrophobicContact CD1-SD 3.45Å; Y31-M70 WeakPolarHBondContact CD1-SD 3.15Å; Y31-M70 HydrophobicContact CD2-CE 4.48Å; Y31-M70 HydrophobicContact CE1-CE 3.76Å; Y31-M70 HydrophobicContact CE1-SD 3.98Å; Y31-M70 HydrophobicContact CE2-CE 4.43Å; Y31-M70 HydrophobicContact CG-CE 4.19Å; Y31-M70 HydrophobicContact CG-SD 3.8Å; L66-M70 HydrophobicContact CB-CE 4.19Å; L66-M70 HydrophobicContact CB-CG 4.49Å; L66-M70 HydrophobicContact CB-SD 4.42Å; L66-M70 HydrophobicContact CD2-CG 4.29Å; L66-M70 HydrophobicContact CD2-SD 3.93Å; L66-M70 VanDerWaalsContact O-CB 3.25Å; L66-M70 WeakPolarHBondContact O-CB 3.33Å; L66-M70 WeakPolarHBondContact O-CG 3.43Å; L66-M70 PolarHBondContact O-N 2.86Å; M70-E72 VanDerWaalsContact C-N 3.34Å; M70-E72 HydrophobicContact CE-CG 4.35Å; M70-I74 HydrophobicContact CE-CG1 3.67Å
71K87.4Confident95.5Very high225 Ų22564.4 Ų64.498%0.97833%0.334SS*.SBendtrans-83.7-14.4174.5-64.6-179.7-179.8177.50112.9
72E90.4Very high95.6Very high70 Ų7063.5 Ų63.533%0.32733%0.328SS..SBendtrans-109.4156-177.663176.3-170.800111.8Q32 K35 M70Q32-E72 PolarHBondContact NE2-OE1 2.89Å; K35-E72 IonicContact NZ-OE1 2.72Å; K35-E72 PolarHBondContact NZ-OE1 2.87Å; K35-E72 IonicContact NZ-OE2 3.3Å; K35-E72 PolarHBondContact NZ-OE2 2.92Å; M70-E72 VanDerWaalsContact C-N 3.34Å; M70-E72 HydrophobicContact CE-CG 4.35Å
73T93.2Very high95.6Very high131 Ų13164.3 Ų64.380%0.80433%0.334SS*.PPolyproline II helixtrans-69.1139.9173.749.90000110.4D75T73-D75 PolarHBondContact O-N 3.24Å
74I96.6Very high95.6Very high23 Ų2364.2 Ų64.212%0.11835%0.348CS..PPolyproline II helixtrans-66.1128.8173.8-62.6176.6000108.9Y31 R63 L66 E67 M70 W79Y31-I74 HydrophobicContact CE2-CG2 4.1Å; R63-I74 HydrophobicContact CG-CD1 4.22Å; L66-I74 HydrophobicContact CB-CD1 3.69Å; L66-I74 HydrophobicContact CB-CG1 4.35Å; L66-I74 HydrophobicContact CD1-CD1 4.43Å; E67-I74 HydrophobicContact CG-CD1 3.57Å; M70-I74 HydrophobicContact CE-CG1 3.67Å; I74-W79 HydrophobicContact CG2-CB 3.65Å; I74-W79 HydrophobicContact CG2-CG 4.2Å
75D96.8Very high95.6Very high85 Ų8561.4 Ų61.446%0.45533%0.334SS..PPolyproline II helixtrans-80122.7167.1178.6-77.7000108.2Y31 T73 G77 L78 W79Y31-D75 PolarHBondContact OH-N 3.45Å; T73-D75 PolarHBondContact O-N 3.24Å; D75-G77 VanDerWaalsContact C-N 3.3Å; D75-G77 PolarHBondContact O-N 2.85Å; D75-G77 WeakPolarHBondContact OD1-CA 3.23Å; D75-G77 PolarHBondContact OD1-N 3.21Å; D75-L78 HydrophobicContact CB-CB 4.12Å; D75-L78 HydrophobicContact CB-CD1 3.96Å; D75-L78 HydrophobicContact CB-CG 4.15Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 PolarHBondContact OD1-N 3.24Å; D75-W79 WeakPolarHBondContact O-CB 3.3Å; D75-W79 PolarHBondContact O-N 2.84Å
76E97.1Very high95.7Very high93 Ų9361.5 Ų61.544%0.43533%0.334SS..Hα-helixtrans-66.5-30.4-173.9-63.2-61.3152.100112.6R63 W79 D80R63-E76 IonicContact CZ-OE1 3.45Å; R63-E76 IonicContact CZ-OE2 2.73Å; R63-E76 IonicContact NH1-OE1 3.68Å; R63-E76 IonicContact NH1-OE2 2.84Å; R63-E76 PolarHBondContact NH1-OE2 3.21Å; R63-E76 IonicContact NH2-OE1 3.54Å; R63-E76 PolarHBondContact NH2-OE1 2.67Å; R63-E76 IonicContact NH2-OE2 3.63Å; R63-E76 PolarHBondContact NH2-OE2 2.81Å; E76-W79 PolarHBondContact O-N 3.46Å; E76-D80 VanDerWaalsContact O-CG 3.27Å; E76-D80 PolarHBondContact O-N 2.81Å
77G96.8Very high95.7Very high44 Ų4463.2 Ų63.245%0.45434%0.343SS..Hα-helixtrans-71.1-40.717700000112.6D75 W79 T81D75-G77 VanDerWaalsContact C-N 3.3Å; D75-G77 PolarHBondContact O-N 2.85Å; D75-G77 WeakPolarHBondContact OD1-CA 3.23Å; D75-G77 PolarHBondContact OD1-N 3.21Å; G77-W79 VanDerWaalsContact C-N 3.33Å; G77-T81 PolarHBondContact O-N 2.73Å; G77-T81 PolarHBondContact O-OG1 3.22Å; G77-T81 VanDerWaalsContact O-OG1 3.06Å
78L96Very high95.8Very high42 Ų4258.8 Ų58.822%0.2232%0.322CS..Hα-helixtrans-65.8-38.8171.3-69.4177000111.3Y31 K35 D75 T81 L82Y31-L78 HydrophobicContact CE2-CB 4.27Å; K35-L78 HydrophobicContact CB-CD1 3.82Å; K35-L78 HydrophobicContact CD-CD1 4.39Å; K35-L78 HydrophobicContact CG-CD1 3.69Å; D75-L78 HydrophobicContact CB-CB 4.12Å; D75-L78 HydrophobicContact CB-CD1 3.96Å; D75-L78 HydrophobicContact CB-CG 4.15Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 PolarHBondContact OD1-N 3.24Å; L78-T81 PolarHBondContact O-N 2.79Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 PolarHBondContact O-N 2.67Å
79W97.7Very high95.9Very high15 Ų1554.7 Ų54.76%0.05730%0.297CS..Hα-helixtrans-62.8-43.9175.8174.4-109.3000112.5T59 V62 R63 L66 I74 D75 E76 G77 T81 L82 S83 L86T59-W79 HydrophobicContact CG2-CH2 4Å; T59-W79 HydrophobicContact CG2-CZ2 3.46Å; T59-W79 VanDerWaalsContact CG2-CZ2 3.46Å; T59-W79 WeakPolarHBondContact O-CH2 3.17Å; V62-W79 HydrophobicContact CB-CH2 4.27Å; V62-W79 HydrophobicContact CG1-CH2 4.09Å; V62-W79 HydrophobicContact CG1-CZ3 4.01Å; R63-W79 HydrophobicContact CB-CH2 3.63Å; R63-W79 HydrophobicContact CB-CZ2 3.56Å; R63-W79 HydrophobicContact CB-CZ3 4.37Å; R63-W79 HydrophobicContact CG-CH2 4.34Å; R63-W79 HydrophobicContact CG-CZ2 4.04Å; L66-W79 HydrophobicContact CD1-CE3 3.95Å; L66-W79 HydrophobicContact CD1-CZ3 3.65Å; I74-W79 HydrophobicContact CG2-CB 3.65Å; I74-W79 HydrophobicContact CG2-CG 4.2Å; D75-W79 WeakPolarHBondContact O-CB 3.3Å; D75-W79 PolarHBondContact O-N 2.84Å; E76-W79 PolarHBondContact O-N 3.46Å; G77-W79 VanDerWaalsContact C-N 3.33Å; W79-T81 PolarHBondContact O-N 2.84Å; W79-L82 PolarHBondContact O-N 3.49Å; W79-S83 WeakPolarHBondContact O-CB 3.12Å; W79-S83 PolarHBondContact O-N 3.45Å; W79-S83 PolarHBondContact O-OG 2.86Å; W79-L86 HydrophobicContact CH2-CD1 4.19Å
80D97.2Very high96Very high103 Ų10353.9 Ų53.955%0.55130%0.296SS*.Hα-helixtrans-58.3-41.7176.4-75.3-18000110.9E76 S83 A84E76-D80 VanDerWaalsContact O-CG 3.27Å; E76-D80 PolarHBondContact O-N 2.81Å; D80-S83 PolarHBondContact O-OG 2.77Å; D80-A84 WeakPolarHBondContact O-CB 3.3Å; D80-A84 PolarHBondContact O-N 2.87Å
81T96.8Very high96.1Very high64 Ų6452.9 Ų52.939%0.39329%0.291SS..Hα-helixtrans-66.3-50.9177-53.50000111.7E34 G77 L78 W79 A84E34-T81 HydrophobicContact CG-CG2 4.47Å; E34-T81 VanDerWaalsContact OE1-CG2 3.25Å; E34-T81 WeakPolarHBondContact OE1-CG2 3.43Å; G77-T81 PolarHBondContact O-N 2.73Å; G77-T81 PolarHBondContact O-OG1 3.22Å; G77-T81 VanDerWaalsContact O-OG1 3.06Å; L78-T81 PolarHBondContact O-N 2.79Å; W79-T81 PolarHBondContact O-N 2.84Å; T81-A84 PolarHBondContact O-N 2.74Å
82L97.1Very high96.6Very high4 Ų444.8 Ų44.82%0.02126%0.258CS..Hα-helixtrans-65.1-44.4-178.5-178.164.9000111.7Y31 E34 I45 L66 L78 W79 A84 R85Y31-L82 HydrophobicContact CD2-CD2 3.86Å; Y31-L82 HydrophobicContact CG-CD2 4.41Å; E34-L82 HydrophobicContact CB-CD1 4.47Å; E34-L82 HydrophobicContact CG-CB 4.48Å; I45-L82 HydrophobicContact CD1-CD1 3.73Å; L66-L82 HydrophobicContact CD1-CD2 4.2Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 PolarHBondContact O-N 2.67Å; W79-L82 PolarHBondContact O-N 3.49Å; L82-A84 VanDerWaalsContact C-N 3.29Å; L82-A84 PolarHBondContact O-N 3.36Å; L82-R85 VanDerWaalsContact O-CB 3.31Å; L82-R85 WeakPolarHBondContact O-CB 3.45Å; L82-R85 PolarHBondContact O-N 3.48Å; L82-R85 VanDerWaalsContact O-N 3.11Å
83S97.5Very high96.9Very high18 Ų1841.9 Ų41.913%0.12625%0.245CC..Hα-helixtrans-66.3-30.6-177.867.50000112.7W79 D80 R85 L86W79-S83 WeakPolarHBondContact O-CB 3.12Å; W79-S83 PolarHBondContact O-N 3.45Å; W79-S83 PolarHBondContact O-OG 2.86Å; D80-S83 PolarHBondContact O-OG 2.77Å; S83-R85 PolarHBondContact O-N 2.91Å; S83-L86 WeakPolarHBondContact O-CB 3.34Å; S83-L86 PolarHBondContact O-N 3.18Å
84A97.4Very high97Very high65 Ų6541.1 Ų41.154%0.53724%0.236SC..Hα-helixtrans-60.7-30.6173.500000112.6K55 D80 T81 L82K55-A84 PolarHBondContact NZ-O 3.19Å; D80-A84 WeakPolarHBondContact O-CB 3.3Å; D80-A84 PolarHBondContact O-N 2.87Å; T81-A84 PolarHBondContact O-N 2.74Å; L82-A84 VanDerWaalsContact C-N 3.29Å; L82-A84 PolarHBondContact O-N 3.36Å
85R97Very high97Very high25 Ų2544 Ų449%0.09425%0.252CS..THydrogen-bonded Turntrans-77.2-17.7179.1-54.1176.5-178-70.7-0.4114.1E34 N40 P41 T43 I45 L82 S83E34-R85 IonicContact OE1-CZ 3.48Å; E34-R85 IonicContact OE1-NE 3.22Å; E34-R85 IonicContact OE1-NH2 3.24Å; E34-R85 PolarHBondContact OE1-NH2 2.95Å; E34-R85 IonicContact OE2-CZ 2.74Å; E34-R85 IonicContact OE2-NE 2.67Å; E34-R85 PolarHBondContact OE2-NE 3.14Å; E34-R85 IonicContact OE2-NH2 3.57Å; E34-R85 PolarHBondContact OE2-NH2 3.1Å; N40-R85 PolarHBondContact O-NH1 3.29Å; P41-R85 VanDerWaalsContact C-NH1 3.27Å; P41-R85 PolarHBondContact O-NH1 3.33Å; T43-R85 WeakPolarHBondContact O-CD 3.34Å; T43-R85 WeakPolarHBondContact O-CG 3.46Å; T43-R85 PolarHBondContact O-NH1 3.08Å; I45-R85 PolarHBondContact N-O 2.94Å; L82-R85 VanDerWaalsContact O-CB 3.31Å; L82-R85 WeakPolarHBondContact O-CB 3.45Å; L82-R85 PolarHBondContact O-N 3.48Å; L82-R85 VanDerWaalsContact O-N 3.11Å; S83-R85 PolarHBondContact O-N 2.91Å
86L98Very high96.9Very high2 Ų241.6 Ų41.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-74.7142.1-173.5-60.1177000111.4I45 K55 Y58 T59 V62 W79 S83I45-L86 HydrophobicContact CB-CD2 3.97Å; I45-L86 HydrophobicContact CD1-CD2 4.36Å; I45-L86 HydrophobicContact CG2-CD2 4Å; I45-L86 WeakPolarHBondContact O-CA 3.49Å; K55-L86 VanDerWaalsContact CD-O 3.32Å; K55-L86 WeakPolarHBondContact CD-O 3.34Å; K55-L86 WeakPolarHBondContact CE-O 3.36Å; K55-L86 PolarHBondContact NZ-O 2.92Å; K55-L86 VanDerWaalsContact NZ-O 3.15Å; Y58-L86 HydrophobicContact CD1-CB 4.27Å; Y58-L86 HydrophobicContact CE1-CB 4.35Å; Y58-L86 HydrophobicContact CE1-CD2 4.22Å; T59-L86 HydrophobicContact CG2-CD1 4.36Å; V62-L86 HydrophobicContact CB-CD1 3.83Å; V62-L86 HydrophobicContact CG1-CD1 3.87Å; V62-L86 HydrophobicContact CG2-CD1 3.93Å; V62-L86 HydrophobicContact CG2-CD2 4.36Å; W79-L86 HydrophobicContact CH2-CD1 4.19Å; S83-L86 WeakPolarHBondContact O-CB 3.34Å; S83-L86 PolarHBondContact O-N 3.18Å
87D97.6Very high96.9Very high37 Ų3740.3 Ų40.320%0.19825%0.246CC..EExtended strand (participates in β ladder)trans-150.1167.4167.2-146.7-24.2000110R44 I45 I46 G47 Y58 M105R44-D87 IonicContact NH2-OD2 3.98Å; R44-D87 PolarHBondContact NH2-OD2 2.71Å; I45-D87 PolarHBondContact O-N 2.89Å; I46-D87 CarbonylContact C-O 3.53Å; I46-D87 WeakPolarHBondContact CA-O 3.43Å; I46-D87 HydrophobicContact CG1-CB 4.33Å; G47-D87 PolarHBondContact N-O 2.89Å; Y58-D87 WeakPolarHBondContact CD1-O 3.42Å; Y58-D87 WeakPolarHBondContact CE1-O 3.36Å; D87-M105 HydrophobicContact CB-CE 3.97Å; D87-M105 VanDerWaalsContact CG-CE 3.42Å
88F98Very high96.8Very high15 Ų1539 Ų397%0.06623%0.23CC..EExtended strand (participates in β ladder)trans-136.1135.9-179.7-168.5-91.6000112.1A17 G47 A51 W53 Y58A17-F88 HydrophobicContact CB-CE2 4.43Å; G47-F88 CarbonylContact O-C 3.48Å; G47-F88 WeakPolarHBondContact O-CA 3.45Å; G47-F88 VanDerWaalsContact O-CD2 3.29Å; G47-F88 WeakPolarHBondContact O-CD2 3.33Å; A51-F88 HydrophobicContact CB-CZ 4.36Å; A51-F88 VanDerWaalsContact O-CE1 3.26Å; A51-F88 WeakPolarHBondContact O-CE1 3.37Å; W53-F88 HydrophobicContact CB-CD1 3.79Å; W53-F88 HydrophobicContact CB-CE1 4.04Å; W53-F88 HydrophobicContact CB-CG 4.17Å; W53-F88 HydrophobicContact CE3-CD2 4.03Å; W53-F88 HydrophobicContact CE3-CE1 4.42Å; W53-F88 AromaticContact CE3-CE2 3.64Å; W53-F88 HydrophobicContact CE3-CE2 3.64Å; W53-F88 AromaticContact CE3-CZ 3.85Å; W53-F88 HydrophobicContact CE3-CZ 3.85Å; W53-F88 HydrophobicContact CZ3-CE2 4.14Å; W53-F88 WeakPolarHBondContact O-CD1 3.46Å; Y58-F88 HydrophobicContact CD1-CB 4.03Å; Y58-F88 HydrophobicContact CD1-CD2 4.21Å; Y58-F88 AromaticContact CD2-CD2 3.6Å; Y58-F88 HydrophobicContact CD2-CD2 3.6Å; Y58-F88 HydrophobicContact CD2-CE2 4.22Å; Y58-F88 HydrophobicContact CD2-CG 4.48Å; Y58-F88 HydrophobicContact CE2-CD2 4.05Å; Y58-F88 HydrophobicContact CG-CB 3.89Å; Y58-F88 AromaticContact CG-CD2 3.69Å; Y58-F88 HydrophobicContact CG-CD2 3.69Å; Y58-F88 HydrophobicContact CG-CG 4.17Å
89C97.6Very high96.9Very high1 Ų137 Ų371%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-114.7113.2174.6-166.90000109.7I46 G47 V48 G49 L91 L102 M105I46-C89 HydrophobicContact CG2-CB 4.19Å; G47-C89 PolarHBondContact O-N 2.78Å; V48-C89 HydrophobicContact CG2-CB 4.15Å; G49-C89 PolarHBondContact N-O 3.46Å; C89-L91 PolarHBondContact O-N 2.73Å; C89-L102 HydrophobicContact CB-CD1 4.29Å; C89-M105 HydrophobicContact CB-CE 4.45Å; C89-M105 HydrophobicContact CB-SD 3.67Å
90N96.3Very high96.9Very high46 Ų4641.2 Ų41.225%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-68.7113167.5175.8-87000109.3G49 R50 A51 R101G49-N90 WeakPolarHBondContact O-CA 3.15Å; R50-N90 PolarHBondContact O-ND2 2.88Å; A51-N90 VanDerWaalsContact C-ND2 3.31Å; A51-N90 PolarHBondContact O-ND2 2.94Å; N90-R101 PolarHBondContact O-NH1 2.89Å; N90-R101 PolarHBondContact OD1-NH1 3.05Å
91L96.4Very high96.8Very high2 Ų242.8 Ų42.81%0.0124%0.242CC..  trans-155.3131.3-177.4178.9154.5000110.1F15 V48 G49 C89 V93 A98 F99 L102F15-L91 HydrophobicContact CE1-CD2 4.3Å; V48-L91 HydrophobicContact CG1-CB 3.95Å; V48-L91 HydrophobicContact CG1-CD2 3.92Å; V48-L91 HydrophobicContact CG1-CG 4.43Å; G49-L91 CarbonylContact C-O 3.58Å; G49-L91 VanDerWaalsContact C-O 3.28Å; G49-L91 PolarHBondContact O-N 3.26Å; C89-L91 PolarHBondContact O-N 2.73Å; L91-V93 HydrophobicContact CD2-CG1 4.04Å; L91-A98 HydrophobicContact CD1-CB 4.4Å; L91-A98 HydrophobicContact CG-CB 4.07Å; L91-F99 HydrophobicContact CD1-CB 4.47Å; L91-F99 HydrophobicContact CD1-CD1 4.15Å; L91-F99 HydrophobicContact CD1-CD2 4.01Å; L91-F99 HydrophobicContact CD1-CE1 4.39Å; L91-F99 HydrophobicContact CD1-CE2 4.25Å; L91-F99 HydrophobicContact CD1-CG 3.96Å; L91-F99 HydrophobicContact CD1-CZ 4.43Å; L91-F99 HydrophobicContact CD2-CD2 4.4Å; L91-F99 HydrophobicContact CD2-CE1 4.46Å; L91-F99 HydrophobicContact CD2-CE2 3.86Å; L91-F99 HydrophobicContact CD2-CZ 3.89Å; L91-F99 HydrophobicContact CG-CE2 4.44Å; L91-L102 HydrophobicContact CD1-CB 4.09Å
92D96.3Very high96.8Very high55 Ų5539.7 Ų39.729%0.29422%0.223SC..  trans-90.7126.5162.4-166.7-40000108.5R50 N94 D95R50-D92 WeakPolarHBondContact CD-OD2 3.24Å; R50-D92 HydrophobicContact CG-CB 4.17Å; D92-N94 PolarHBondContact O-N 2.9Å; D92-N94 VanDerWaalsContact O-N 3.12Å; D92-N94 PolarHBondContact OD1-N 3.39Å; D92-N94 PolarHBondContact OD1-ND2 3.11Å; D92-D95 HydrophobicContact CB-CB 4.37Å; D92-D95 PolarHBondContact O-N 3.06Å
93V96.8Very high96.9Very high9 Ų940.6 Ų40.66%0.05523%0.233CC..THydrogen-bonded Turntrans-64.6-17.4-176.8-60.50000113.2F15 L91 M119 T123 I127F15-V93 HydrophobicContact CD1-CG1 3.92Å; F15-V93 HydrophobicContact CE1-CG1 4.39Å; L91-V93 HydrophobicContact CD2-CG1 4.04Å; V93-M119 HydrophobicContact CG1-CE 4.08Å; V93-M119 HydrophobicContact CG1-SD 3.99Å; V93-M119 HydrophobicContact CG2-CE 3.98Å; V93-T123 HydrophobicContact CG2-CG2 4.38Å; V93-I127 HydrophobicContact CB-CG1 3.77Å; V93-I127 HydrophobicContact CG1-CD1 4.14Å; V93-I127 HydrophobicContact CG1-CG1 3.63Å; V93-I127 HydrophobicContact CG2-CG1 4.5Å
94N96.3Very high96.8Very high116 Ų11644 Ų4462%0.6226%0.262SS*.THydrogen-bonded Turntrans-89-10.2175.5-54.5-72.4000113.1D92 T96D92-N94 PolarHBondContact O-N 2.9Å; D92-N94 VanDerWaalsContact O-N 3.12Å; D92-N94 PolarHBondContact OD1-N 3.39Å; D92-N94 PolarHBondContact OD1-ND2 3.11Å; N94-T96 PolarHBondContact O-N 2.61Å
95D96.6Very high96.8Very high83 Ų8342.8 Ų42.844%0.44425%0.246SC..  trans-93.891.2172-178.21.2000109.5D92 A97 A98D92-D95 HydrophobicContact CB-CB 4.37Å; D92-D95 PolarHBondContact O-N 3.06Å; D95-A97 PolarHBondContact O-N 3Å; D95-A97 PolarHBondContact OD1-N 3.08Å; D95-A97 VanDerWaalsContact OD1-N 3.15Å; D95-A98 HydrophobicContact CB-CB 4.04Å; D95-A98 WeakPolarHBondContact O-CB 3.42Å; D95-A98 PolarHBondContact O-N 3.05Å; D95-A98 VanDerWaalsContact O-N 3.08Å; D95-A98 PolarHBondContact OD1-N 2.64Å
96T95.1Very high96.8Very high35 Ų3542.5 Ų42.522%0.21525%0.246CC..G310 helixtrans-57.8-33.1-178.7-54.60000112.8N94 A98 F99 E133N94-T96 PolarHBondContact O-N 2.61Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 2.88Å; T96-F99 PolarHBondContact O-N 3Å; T96-E133 HydrophobicContact CG2-CB 3.97Å; T96-E133 HydrophobicContact CG2-CG 4.22Å; T96-E133 WeakPolarHBondContact CG2-OE2 3.41Å
97A95.5Very high96.7Very high66 Ų6644.5 Ų44.555%0.54526%0.257SS..G310 helixtrans-69.3-2918000000112.4D95 F99 N100D95-A97 PolarHBondContact O-N 3Å; D95-A97 PolarHBondContact OD1-N 3.08Å; D95-A97 VanDerWaalsContact OD1-N 3.15Å; A97-F99 PolarHBondContact O-N 3.34Å; A97-N100 WeakPolarHBondContact O-CB 3.44Å; A97-N100 PolarHBondContact O-N 2.92Å; A97-N100 PolarHBondContact O-ND2 3.36Å
98A95.9Very high96.5Very high15 Ų1546.9 Ų46.912%0.12427%0.267CS..G310 helixtrans-64.4-21.117800000113.2L91 D95 T96 N100 R101L91-A98 HydrophobicContact CD1-CB 4.4Å; L91-A98 HydrophobicContact CG-CB 4.07Å; D95-A98 HydrophobicContact CB-CB 4.04Å; D95-A98 WeakPolarHBondContact O-CB 3.42Å; D95-A98 PolarHBondContact O-N 3.05Å; D95-A98 VanDerWaalsContact O-N 3.08Å; D95-A98 PolarHBondContact OD1-N 2.64Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 2.88Å; A98-N100 PolarHBondContact O-N 3.01Å; A98-R101 VanDerWaalsContact O-CB 3.24Å; A98-R101 WeakPolarHBondContact O-CB 3.32Å; A98-R101 PolarHBondContact O-N 2.86Å
99F98.1Very high96.2Very high0 Ų055.4 Ų55.40%030%0.304CS..Hα-helixtrans-63.2-21.6176-77.8-102.1000113.3F15 L91 T96 A97 R101 L102 G103 I127 G130 L131 A134F15-F99 AromaticContact CE1-CE1 3.89Å; F15-F99 HydrophobicContact CE1-CE1 3.89Å; F15-F99 HydrophobicContact CE1-CZ 4.19Å; F15-F99 AromaticContact CZ-CE1 4Å; F15-F99 HydrophobicContact CZ-CE1 4Å; L91-F99 HydrophobicContact CD1-CB 4.47Å; L91-F99 HydrophobicContact CD1-CD1 4.15Å; L91-F99 HydrophobicContact CD1-CD2 4.01Å; L91-F99 HydrophobicContact CD1-CE1 4.39Å; L91-F99 HydrophobicContact CD1-CE2 4.25Å; L91-F99 HydrophobicContact CD1-CG 3.96Å; L91-F99 HydrophobicContact CD1-CZ 4.43Å; L91-F99 HydrophobicContact CD2-CD2 4.4Å; L91-F99 HydrophobicContact CD2-CE1 4.46Å; L91-F99 HydrophobicContact CD2-CE2 3.86Å; L91-F99 HydrophobicContact CD2-CZ 3.89Å; L91-F99 HydrophobicContact CG-CE2 4.44Å; T96-F99 PolarHBondContact O-N 3Å; A97-F99 PolarHBondContact O-N 3.34Å; F99-R101 PolarHBondContact O-N 3.47Å; F99-L102 HydrophobicContact CD1-CD2 4.41Å; F99-L102 WeakPolarHBondContact O-CB 3.48Å; F99-L102 PolarHBondContact O-N 2.95Å; F99-G103 PolarHBondContact O-N 2.85Å; F99-I127 HydrophobicContact CE1-CG2 4.37Å; F99-G130 WeakPolarHBondContact CB-O 3.18Å; F99-G130 VanDerWaalsContact CG-C 3.5Å; F99-L131 HydrophobicContact CD1-CD2 4.05Å; F99-L131 HydrophobicContact CD1-CG 4.19Å; F99-L131 HydrophobicContact CE1-CD2 4.13Å; F99-L131 HydrophobicContact CE1-CG 3.96Å; F99-A134 HydrophobicContact CB-CB 3.74Å
100N96.7Very high96.1Very high105 Ų10561 Ų6156%0.56133%0.334SS*.Hα-helixtrans-62.3-32.3171.3-67.2-57.7000112.3A97 A98 G103 A104A97-N100 WeakPolarHBondContact O-CB 3.44Å; A97-N100 PolarHBondContact O-N 2.92Å; A97-N100 PolarHBondContact O-ND2 3.36Å; A98-N100 PolarHBondContact O-N 3.01Å; N100-G103 PolarHBondContact O-N 3.14Å; N100-A104 PolarHBondContact O-N 3.34Å
101R96.1Very high96.1Very high135 Ų13561.3 Ų61.351%0.50933%0.331SS..Hα-helixtrans-65.5-43174.6-174-174.1-65.1169.6-3.6110.8N90 A98 F99 G103 A104 M105N90-R101 PolarHBondContact O-NH1 2.89Å; N90-R101 PolarHBondContact OD1-NH1 3.05Å; A98-R101 VanDerWaalsContact O-CB 3.24Å; A98-R101 WeakPolarHBondContact O-CB 3.32Å; A98-R101 PolarHBondContact O-N 2.86Å; F99-R101 PolarHBondContact O-N 3.47Å; R101-G103 VanDerWaalsContact C-N 3.34Å; R101-A104 PolarHBondContact O-N 3.32Å; R101-M105 PolarHBondContact O-N 3.41Å
102L97.6Very high96.1Very high0 Ų062.2 Ų62.20%034%0.336CS..Hα-helixtrans-61.2-47173.4178.762.3000109.9V13 F15 I46 V48 C89 L91 F99 A104 M105 L106 L131 L136V13-L102 HydrophobicContact CG1-CD1 4Å; V13-L102 HydrophobicContact CG1-CD2 4.08Å; V13-L102 HydrophobicContact CG2-CD1 4.28Å; F15-L102 HydrophobicContact CZ-CD2 3.87Å; I46-L102 HydrophobicContact CG2-CD1 4.33Å; V48-L102 HydrophobicContact CG2-CD1 4.32Å; C89-L102 HydrophobicContact CB-CD1 4.29Å; L91-L102 HydrophobicContact CD1-CB 4.09Å; F99-L102 HydrophobicContact CD1-CD2 4.41Å; F99-L102 WeakPolarHBondContact O-CB 3.48Å; F99-L102 PolarHBondContact O-N 2.95Å; L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 2.69Å; L102-M105 WeakPolarHBondContact O-CB 3.26Å; L102-M105 PolarHBondContact O-N 3Å; L102-L106 HydrophobicContact CD1-CD1 4.39Å; L102-L106 HydrophobicContact CD1-CD2 4.46Å; L102-L106 HydrophobicContact CD1-CG 4.36Å; L102-L106 HydrophobicContact CG-CD1 4Å; L102-L106 HydrophobicContact CG-CG 4.41Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.05Å; L102-L131 HydrophobicContact CD2-CD2 4.22Å; L102-L136 HydrophobicContact CB-CD1 4.44Å; L102-L136 HydrophobicContact CD2-CD1 4.25Å; L102-L136 HydrophobicContact CG-CD1 4.25Å
103G97.3Very high96.2Very high22 Ų2259.8 Ų59.823%0.22732%0.323CS..Hα-helixtrans-56-37.7177.100000114F99 N100 R101 M105 L106F99-G103 PolarHBondContact O-N 2.85Å; N100-G103 PolarHBondContact O-N 3.14Å; R101-G103 VanDerWaalsContact C-N 3.34Å; G103-M105 PolarHBondContact O-N 3.16Å; G103-L106 PolarHBondContact O-N 3.26Å
104A96.9Very high96.2Very high89 Ų8959.4 Ų59.474%0.73632%0.321SS*.Hα-helixtrans-67.5-20.517600000114.1N100 R101 L102N100-A104 PolarHBondContact O-N 3.34Å; R101-A104 PolarHBondContact O-N 3.32Å; L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 2.69Å
105M96.6Very high96.4Very high40 Ų4053.9 Ų53.920%0.19729%0.291CS..Hα-helixtrans-88.1-22.6177-64.1177.570.200113.2R44 I46 D87 C89 R101 L102 G103R44-M105 PolarHBondContact NH1-O 2.79Å; I46-M105 HydrophobicContact CG2-CE 4.13Å; D87-M105 HydrophobicContact CB-CE 3.97Å; D87-M105 VanDerWaalsContact CG-CE 3.42Å; C89-M105 HydrophobicContact CB-CE 4.45Å; C89-M105 HydrophobicContact CB-SD 3.67Å; R101-M105 PolarHBondContact O-N 3.41Å; L102-M105 WeakPolarHBondContact O-CB 3.26Å; L102-M105 PolarHBondContact O-N 3Å; G103-M105 PolarHBondContact O-N 3.16Å
106L97.2Very high96.4Very high20 Ų2050 Ų5011%0.10527%0.271CS..  trans-87.2144.8-172.3-63.9174000112D11 V13 I46 L102 G103 Q108 T113 L136D11-L106 HydrophobicContact CB-CD2 3.51Å; D11-L106 WeakPolarHBondContact OD2-CA 3.32Å; V13-L106 HydrophobicContact CG2-CD2 3.74Å; I46-L106 HydrophobicContact CD1-CD2 3.68Å; L102-L106 HydrophobicContact CD1-CD1 4.39Å; L102-L106 HydrophobicContact CD1-CD2 4.46Å; L102-L106 HydrophobicContact CD1-CG 4.36Å; L102-L106 HydrophobicContact CG-CD1 4Å; L102-L106 HydrophobicContact CG-CG 4.41Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.05Å; G103-L106 PolarHBondContact O-N 3.26Å; L106-Q108 HydrophobicContact CB-CG 4.46Å; L106-T113 HydrophobicContact CD1-CG2 3.79Å; L106-T113 HydrophobicContact CD2-CG2 4.25Å; L106-L136 HydrophobicContact CD1-CD1 4.07Å; L106-L136 HydrophobicContact CD1-CD2 4.11Å
107D95.6Very high96.6Very high43 Ų4348.4 Ų48.423%0.2326%0.26CS..  trans-110.873.7173.1-175.60.2000110.7D11 K109 N110 R111D11-D107 PolarHBondContact OD2-N 2.66Å; D107-K109 PolarHBondContact O-N 3.41Å; D107-K109 PolarHBondContact OD1-N 2.82Å; D107-N110 PolarHBondContact O-N 3.19Å; D107-N110 PolarHBondContact OD1-N 3.08Å; D107-N110 PolarHBondContact OD1-ND2 2.92Å; D107-N110 WeakPolarHBondContact OD2-CB 3.41Å; D107-N110 PolarHBondContact OD2-ND2 3.29Å; D107-R111 WeakPolarHBondContact O-CA 3.41Å; D107-R111 WeakPolarHBondContact O-CB 3.45Å; D107-R111 PolarHBondContact O-N 3.41Å; D107-R111 IonicContact OD2-NH1 3.82Å; D107-R111 PolarHBondContact OD2-NH1 2.96Å
108Q93.1Very high96.6Very high88 Ų8845.9 Ų45.941%0.41124%0.24SC..THydrogen-bonded Turntrans-62.9-8.8-178.7-61.8-175-7000114.2L106 K135L106-Q108 HydrophobicContact CB-CG 4.46Å; Q108-K135 PolarHBondContact NE2-O 2.99Å
109K93.3Very high96.5Very high193 Ų19347.5 Ų47.584%0.83925%0.245SC*.THydrogen-bonded Turntrans-84-42178-68.6-177.3179.7178.30111.8D107D107-K109 PolarHBondContact O-N 3.41Å; D107-K109 PolarHBondContact OD1-N 2.82Å
110N94.6Very high96.2Very high120 Ų12051.3 Ų51.364%0.64227%0.27SS*.THydrogen-bonded Turntrans-108.1-18.8-174.5-54.4-59.7000113.1D107D107-N110 PolarHBondContact O-N 3.19Å; D107-N110 PolarHBondContact OD1-N 3.08Å; D107-N110 PolarHBondContact OD1-ND2 2.92Å; D107-N110 WeakPolarHBondContact OD2-CB 3.41Å; D107-N110 PolarHBondContact OD2-ND2 3.29Å
111R96Very high96Very high52 Ų5247.5 Ų47.520%0.19625%0.251CS..SBendtrans-125.6140-176.5-61.7-176.7-174.691.67.1111A9 D11 D42 D107A9-R111 HydrophobicContact CB-CG 4.27Å; A9-R111 WeakPolarHBondContact O-CA 3.26Å; D11-R111 WeakPolarHBondContact OD1-CD 3.5Å; D42-R111 WeakPolarHBondContact O-CD 3.37Å; D42-R111 PolarHBondContact O-NE 2.95Å; D107-R111 WeakPolarHBondContact O-CA 3.41Å; D107-R111 WeakPolarHBondContact O-CB 3.45Å; D107-R111 PolarHBondContact O-N 3.41Å; D107-R111 IonicContact OD2-NH1 3.82Å; D107-R111 PolarHBondContact OD2-NH1 2.96Å
112I96.5Very high95.8Very high21 Ų2146.3 Ų46.311%0.10826%0.264CS..EExtended strand (participates in β ladder)trans-75.9129.1171.8-57.1-174.6000108.8Q8 A9 C10 D11 I114 P140Q8-I112 HydrophobicContact CB-CD1 3.97Å; Q8-I112 HydrophobicContact CG-CD1 4.4Å; A9-I112 PolarHBondContact O-N 3.42Å; C10-I112 CarbonylContact C-O 3.53Å; C10-I112 WeakPolarHBondContact CA-O 3.29Å; C10-I112 HydrophobicContact CB-CB 4.34Å; C10-I112 WeakPolarHBondContact CB-O 3.38Å; D11-I112 PolarHBondContact N-O 3.18Å; I112-I114 HydrophobicContact CG2-CG1 4.26Å; I112-P140 HydrophobicContact CB-CG 4.48Å; I112-P140 HydrophobicContact CD1-CB 4.35Å; I112-P140 HydrophobicContact CD1-CG 3.98Å; I112-P140 HydrophobicContact CG1-CG 3.81Å; I112-P140 HydrophobicContact CG2-CB 4.48Å; I112-P140 HydrophobicContact CG2-CG 4.2Å; I112-P140 WeakPolarHBondContact CG2-O 3.42Å
113T98Very high95.6Very high4 Ų447.3 Ų47.33%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-80.8121172.9-490000110V13 L106 A141 R142V13-T113 HydrophobicContact CG2-CG2 4.2Å; L106-T113 HydrophobicContact CD1-CG2 3.79Å; L106-T113 HydrophobicContact CD2-CG2 4.25Å; T113-A141 CarbonylContact O-C 3.52Å; T113-A141 VanDerWaalsContact O-CA 3.27Å; T113-A141 WeakPolarHBondContact O-CA 3.39Å; T113-R142 PolarHBondContact O-N 2.88Å
114I98.4Very high95.6Very high1 Ų146.3 Ų46.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-115.8113.3174.5-58.2175.2000107.6C10 D11 L12 V13 I112 R142 V144 T428 M429C10-I114 HydrophobicContact CB-CD1 3.83Å; C10-I114 HydrophobicContact CB-CG1 4.23Å; D11-I114 PolarHBondContact O-N 3.04Å; L12-I114 CarbonylContact C-O 3.55Å; L12-I114 HydrophobicContact CD1-CB 3.95Å; L12-I114 HydrophobicContact CD1-CG2 3.66Å; V13-I114 PolarHBondContact N-O 3.07Å; I112-I114 HydrophobicContact CG2-CG1 4.26Å; I114-R142 HydrophobicContact CG1-CB 4.39Å; I114-V144 HydrophobicContact CG2-CG2 3.99Å; I114-T428 HydrophobicContact CD1-CG2 4.32Å; I114-T428 HydrophobicContact CG2-CG2 3.59Å; I114-M429 HydrophobicContact CD1-CB 4.24Å; I114-M429 HydrophobicContact CD1-CG 3.86Å
115N98.6Very high95.6Very high0 Ų042.7 Ų42.70%023%0.23CC..EExtended strand (participates in β ladder)trans-100.1106.8-178.4-60.1-78.9000109.8V13 F15 F117 L131 R142 V143 V144V13-N115 CarbonylContact O-C 3.53Å; F15-N115 HydrophobicContact CD2-CB 4.46Å; F15-N115 HydrophobicContact CE2-CB 3.93Å; N115-F117 HydrophobicContact CB-CD1 4.48Å; N115-F117 HydrophobicContact CB-CE1 3.77Å; N115-L131 HydrophobicContact CB-CD1 3.99Å; N115-R142 PolarHBondContact N-O 3.32Å; N115-R142 PolarHBondContact ND2-O 3.04Å; N115-V143 HydrophobicContact CB-CG1 4.26Å; N115-V143 CarbonylContact O-C 3.53Å; N115-V143 WeakPolarHBondContact O-CA 3.32Å; N115-V144 PolarHBondContact O-N 3.38Å
116Y98.6Very high95.6Very high2 Ų242 Ų421%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-93.6118178.8-158.8-65.5000110.7V13 F15 L21 L26 A118 V144 E146 Y421 L425V13-Y116 PolarHBondContact O-N 2.86Å; F15-Y116 PolarHBondContact N-O 3.23Å; L21-Y116 HydrophobicContact CD2-CE1 4.28Å; L26-Y116 HydrophobicContact CD1-CD1 3.6Å; L26-Y116 HydrophobicContact CD1-CD2 4.45Å; L26-Y116 HydrophobicContact CD1-CE1 3.54Å; L26-Y116 HydrophobicContact CD1-CE2 4.38Å; L26-Y116 HydrophobicContact CD1-CG 4.1Å; L26-Y116 HydrophobicContact CD2-CE1 3.95Å; L26-Y116 HydrophobicContact CD2-CE2 3.86Å; L26-Y116 WeakPolarHBondContact CD2-OH 3.41Å; L26-Y116 HydrophobicContact CG-CE1 4.37Å; Y116-A118 HydrophobicContact CD1-CB 4.12Å; Y116-A118 HydrophobicContact CE1-CB 4.35Å; Y116-A118 PolarHBondContact O-N 2.89Å; Y116-V144 HydrophobicContact CD2-CB 3.65Å; Y116-V144 HydrophobicContact CD2-CG1 3.73Å; Y116-V144 HydrophobicContact CD2-CG2 3.93Å; Y116-V144 HydrophobicContact CE2-CB 3.96Å; Y116-V144 HydrophobicContact CE2-CG1 3.46Å; Y116-V144 VanDerWaalsContact CE2-CG1 3.46Å; Y116-V144 HydrophobicContact CE2-CG2 4.42Å; Y116-V144 HydrophobicContact CG-CB 4.01Å; Y116-V144 HydrophobicContact CG-CG1 4.36Å; Y116-E146 HydrophobicContact CE1-CG 4Å; Y116-E146 PolarHBondContact OH-OE1 3.29Å; Y116-Y421 WeakPolarHBondContact OH-CE1 3.3Å; Y116-L425 HydrophobicContact CD2-CD2 3.7Å; Y116-L425 HydrophobicContact CE2-CD2 3.62Å
117F97.6Very high95.6Very high0 Ų041.1 Ų41.10%023%0.227CC..EExtended strand (participates in β ladder)trans-91.377.6-178.7-55.1-17.3000111.3F15 N115 M119 F124 I127 L131 V143 V144 M145F15-F117 AromaticContact CD2-CD1 3.88Å; F15-F117 HydrophobicContact CD2-CD1 3.88Å; F15-F117 HydrophobicContact CD2-CE1 4.1Å; F15-F117 HydrophobicContact CE2-CD1 4.48Å; F15-F117 HydrophobicContact CE2-CE1 4.25Å; F15-F117 HydrophobicContact CG-CD1 4.39Å; N115-F117 HydrophobicContact CB-CD1 4.48Å; N115-F117 HydrophobicContact CB-CE1 3.77Å; F117-M119 PolarHBondContact O-N 3.34Å; F117-F124 HydrophobicContact CB-CD1 3.82Å; F117-F124 HydrophobicContact CB-CE1 3.45Å; F117-F124 VanDerWaalsContact CB-CE1 3.45Å; F117-F124 HydrophobicContact CB-CZ 4.14Å; F117-F124 HydrophobicContact CD2-CB 4.37Å; F117-F124 AromaticContact CD2-CD1 3.69Å; F117-F124 HydrophobicContact CD2-CD1 3.69Å; F117-F124 HydrophobicContact CD2-CE1 4.08Å; F117-F124 AromaticContact CD2-CG 3.97Å; F117-F124 HydrophobicContact CD2-CG 3.97Å; F117-F124 HydrophobicContact CG-CD1 4.1Å; F117-F124 HydrophobicContact CG-CE1 4.21Å; F117-I127 HydrophobicContact CD1-CD1 4.16Å; F117-I127 HydrophobicContact CD1-CG2 3.93Å; F117-I127 HydrophobicContact CE1-CB 4.21Å; F117-I127 HydrophobicContact CE1-CG2 3.28Å; F117-I127 HydrophobicContact CG-CD1 4.31Å; F117-I127 HydrophobicContact CZ-CB 4.25Å; F117-I127 HydrophobicContact CZ-CG2 3.62Å; F117-L131 HydrophobicContact CE1-CD1 4.18Å; F117-L131 HydrophobicContact CZ-CD1 4.21Å; F117-V143 HydrophobicContact CE1-CG1 4.33Å; F117-V143 HydrophobicContact CE2-CB 4.13Å; F117-V143 HydrophobicContact CE2-CG1 4.29Å; F117-V143 HydrophobicContact CZ-CB 3.92Å; F117-V143 HydrophobicContact CZ-CG1 3.66Å; F117-V144 WeakPolarHBondContact CB-O 3.33Å; F117-V144 PolarHBondContact N-O 3.02Å; F117-M145 HydrophobicContact CD2-CG 3.93Å; F117-M145 HydrophobicContact CE2-CG 4.27Å
118A96.7Very high95.8Very high14 Ų1439 Ų3912%0.11622%0.216CC..  trans-8145.2172.300000111.5I14 F15 L21 L26 Y116I14-A118 HydrophobicContact CG2-CB 4.26Å; F15-A118 CarbonylContact O-C 3.53Å; F15-A118 WeakPolarHBondContact O-CA 3.34Å; F15-A118 VanDerWaalsContact O-CB 3.3Å; F15-A118 WeakPolarHBondContact O-CB 3.39Å; F15-A118 PolarHBondContact O-N 2.87Å; L21-A118 HydrophobicContact CD2-CB 4.09Å; L26-A118 HydrophobicContact CD1-CB 4Å; Y116-A118 HydrophobicContact CD1-CB 4.12Å; Y116-A118 HydrophobicContact CE1-CB 4.35Å; Y116-A118 PolarHBondContact O-N 2.89Å
119M93.7Very high96Very high48 Ų4839 Ų3924%0.23621%0.214CC..SBendtrans-134.1163.7-175.7-69.2-173.860.400110.8F15 V93 F117 T123 F124 I127F15-M119 HydrophobicContact CB-CG 4.29Å; F15-M119 HydrophobicContact CB-SD 3.84Å; V93-M119 HydrophobicContact CG1-CE 4.08Å; V93-M119 HydrophobicContact CG1-SD 3.99Å; V93-M119 HydrophobicContact CG2-CE 3.98Å; F117-M119 PolarHBondContact O-N 3.34Å; M119-T123 VanDerWaalsContact CB-OG1 3.32Å; M119-T123 WeakPolarHBondContact CB-OG1 3.37Å; M119-T123 HydrophobicContact CE-CG2 3.8Å; M119-F124 VanDerWaalsContact O-CE1 3.24Å; M119-F124 WeakPolarHBondContact O-CE1 3.21Å; M119-I127 HydrophobicContact SD-CD1 4.27Å
120P91.4Very high96.2Very high80 Ų8029.8 Ų29.852%0.51917%0.174SC..  trans-60.7148.3177.1-2434.6000112.8S122 T123P120-S122 PolarHBondContact O-N 3.27Å; P120-T123 WeakPolarHBondContact O-CB 3.3Å; P120-T123 PolarHBondContact O-N 2.82Å; P120-T123 PolarHBondContact O-OG1 3.41Å
121P91.6Very high96.4Very high25 Ų2524.1 Ų24.116%0.16214%0.144CC..G310 helixtrans-56.6-28.9-176.9-24.431.1000114.9T123 F124 P148 I159P121-T123 PolarHBondContact O-N 3.21Å; P121-F124 HydrophobicContact CB-CD2 4.14Å; P121-F124 HydrophobicContact CB-CE2 3.99Å; P121-F124 HydrophobicContact CB-CZ 4.42Å; P121-F124 HydrophobicContact CG-CE2 4.34Å; P121-F124 HydrophobicContact CG-CZ 4.47Å; P121-F124 WeakPolarHBondContact O-CB 3.37Å; P121-F124 WeakPolarHBondContact O-CG 3.16Å; P121-F124 PolarHBondContact O-N 2.93Å; P121-P148 HydrophobicContact CG-CG 4.07Å; P121-P148 WeakPolarHBondContact CG-O 3.3Å; P121-I159 HydrophobicContact CB-CD1 3.92Å
122S91.9Very high96.5Very high111 Ų11122.2 Ų22.278%0.77614%0.141SC*.G310 helixtrans-60.9-12.2176.263.40000114P120P120-S122 PolarHBondContact O-N 3.27Å
123T95.2Very high96.5Very high20 Ų2026.6 Ų26.612%0.12316%0.16CC..G310 helixtrans-98.4-13.5178.863.80000112.9V93 M119 P120 P121 G125 A126 I127V93-T123 HydrophobicContact CG2-CG2 4.38Å; M119-T123 VanDerWaalsContact CB-OG1 3.32Å; M119-T123 WeakPolarHBondContact CB-OG1 3.37Å; M119-T123 HydrophobicContact CE-CG2 3.8Å; P120-T123 WeakPolarHBondContact O-CB 3.3Å; P120-T123 PolarHBondContact O-N 2.82Å; P120-T123 PolarHBondContact O-OG1 3.41Å; P121-T123 PolarHBondContact O-N 3.21Å; T123-G125 PolarHBondContact O-N 2.83Å; T123-A126 PolarHBondContact O-N 3.02Å; T123-I127 WeakPolarHBondContact O-CG1 3.42Å; T123-I127 PolarHBondContact O-N 3.37Å
124F96.4Very high96.5Very high1 Ų127.2 Ų27.20%0.00417%0.166CC..Hα-helixtrans-63.1-44.7-171.5-65.4-8.3000112.3F117 M119 P121 A126 I127 C128 M145 L149 I159F117-F124 HydrophobicContact CB-CD1 3.82Å; F117-F124 HydrophobicContact CB-CE1 3.45Å; F117-F124 VanDerWaalsContact CB-CE1 3.45Å; F117-F124 HydrophobicContact CB-CZ 4.14Å; F117-F124 HydrophobicContact CD2-CB 4.37Å; F117-F124 AromaticContact CD2-CD1 3.69Å; F117-F124 HydrophobicContact CD2-CD1 3.69Å; F117-F124 HydrophobicContact CD2-CE1 4.08Å; F117-F124 AromaticContact CD2-CG 3.97Å; F117-F124 HydrophobicContact CD2-CG 3.97Å; F117-F124 HydrophobicContact CG-CD1 4.1Å; F117-F124 HydrophobicContact CG-CE1 4.21Å; M119-F124 VanDerWaalsContact O-CE1 3.24Å; M119-F124 WeakPolarHBondContact O-CE1 3.21Å; P121-F124 HydrophobicContact CB-CD2 4.14Å; P121-F124 HydrophobicContact CB-CE2 3.99Å; P121-F124 HydrophobicContact CB-CZ 4.42Å; P121-F124 HydrophobicContact CG-CE2 4.34Å; P121-F124 HydrophobicContact CG-CZ 4.47Å; P121-F124 WeakPolarHBondContact O-CB 3.37Å; P121-F124 WeakPolarHBondContact O-CG 3.16Å; P121-F124 PolarHBondContact O-N 2.93Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 3.14Å; F124-I127 PolarHBondContact O-N 3.12Å; F124-C128 WeakPolarHBondContact O-CB 3.39Å; F124-C128 PolarHBondContact O-N 2.89Å; F124-C128 PolarHBondContact O-SG 2.75Å; F124-M145 HydrophobicContact CD2-CE 3.41Å; F124-M145 VanDerWaalsContact CD2-CE 3.41Å; F124-M145 HydrophobicContact CE2-CB 4.17Å; F124-M145 HydrophobicContact CE2-CE 3.8Å; F124-M145 HydrophobicContact CG-CE 4.33Å; F124-L149 HydrophobicContact CE2-CD2 3.94Å; F124-I159 HydrophobicContact CD2-CG2 4.03Å
125G96Very high96.4Very high13 Ų1335 Ų3513%0.13420%0.2CC..Hα-helixtrans-58.6-43.7176.700000112.8T123 C128 K129T123-G125 PolarHBondContact O-N 2.83Å; G125-C128 PolarHBondContact O-N 3.42Å; G125-K129 VanDerWaalsContact O-CB 3.31Å; G125-K129 WeakPolarHBondContact O-CB 3.42Å; G125-K129 PolarHBondContact O-N 2.88Å
126A97.3Very high96.3Very high27 Ų2735.1 Ų35.122%0.22320%0.201CC..Hα-helixtrans-64.6-41.5177.300000112.1T123 F124 G130T123-A126 PolarHBondContact O-N 3.02Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 3.14Å; A126-G130 PolarHBondContact O-N 2.92Å
127I98.1Very high96.3Very high0 Ų036.9 Ų36.90%021%0.21CC..Hα-helixtrans-63.9-48.7176.3-62.2163.2000110.8F15 V93 F99 F117 M119 T123 F124 K129 G130 L131F15-I127 HydrophobicContact CB-CD1 4.21Å; F15-I127 HydrophobicContact CD1-CD1 4.21Å; F15-I127 HydrophobicContact CD1-CG1 4.19Å; F15-I127 HydrophobicContact CD1-CG2 4.1Å; F15-I127 HydrophobicContact CD2-CG2 4.25Å; F15-I127 HydrophobicContact CE1-CG1 4.49Å; F15-I127 HydrophobicContact CE1-CG2 3.83Å; F15-I127 HydrophobicContact CE2-CG2 4Å; F15-I127 HydrophobicContact CG-CD1 4.22Å; F15-I127 HydrophobicContact CG-CG2 4.3Å; F15-I127 HydrophobicContact CZ-CG2 3.78Å; V93-I127 HydrophobicContact CB-CG1 3.77Å; V93-I127 HydrophobicContact CG1-CD1 4.14Å; V93-I127 HydrophobicContact CG1-CG1 3.63Å; V93-I127 HydrophobicContact CG2-CG1 4.5Å; F99-I127 HydrophobicContact CE1-CG2 4.37Å; F117-I127 HydrophobicContact CD1-CD1 4.16Å; F117-I127 HydrophobicContact CD1-CG2 3.93Å; F117-I127 HydrophobicContact CE1-CB 4.21Å; F117-I127 HydrophobicContact CE1-CG2 3.28Å; F117-I127 HydrophobicContact CG-CD1 4.31Å; F117-I127 HydrophobicContact CZ-CB 4.25Å; F117-I127 HydrophobicContact CZ-CG2 3.62Å; M119-I127 HydrophobicContact SD-CD1 4.27Å; T123-I127 WeakPolarHBondContact O-CG1 3.42Å; T123-I127 PolarHBondContact O-N 3.37Å; F124-I127 PolarHBondContact O-N 3.12Å; I127-K129 PolarHBondContact O-N 2.97Å; I127-G130 PolarHBondContact O-N 3.14Å; I127-L131 HydrophobicContact CG2-CD1 3.81Å; I127-L131 HydrophobicContact CG2-CG 4.27Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.34Å
128C98.2Very high96.1Very high0 Ų039.7 Ų39.70%023%0.234CC..Hα-helixtrans-62.1-42.4180-73.80000112F124 G125 L131 G132 Y166 F167F124-C128 WeakPolarHBondContact O-CB 3.39Å; F124-C128 PolarHBondContact O-N 2.89Å; F124-C128 PolarHBondContact O-SG 2.75Å; G125-C128 PolarHBondContact O-N 3.42Å; C128-L131 PolarHBondContact O-N 2.88Å; C128-G132 PolarHBondContact O-N 3.49Å; C128-Y166 HydrophobicContact CB-CD2 3.84Å; C128-Y166 HydrophobicContact CB-CG 4.39Å; C128-F167 HydrophobicContact CB-CD2 4.26Å; C128-F167 HydrophobicContact CB-CE2 4.09Å
129K98Very high96.1Very high87 Ų8744.3 Ų44.338%0.37825%0.251SS..Hα-helixtrans-59.1-48.4172.8178.4176.9178.8-1760111.8G125 I127 L131 G132 E133 Y166G125-K129 VanDerWaalsContact O-CB 3.31Å; G125-K129 WeakPolarHBondContact O-CB 3.42Å; G125-K129 PolarHBondContact O-N 2.88Å; I127-K129 PolarHBondContact O-N 2.97Å; K129-L131 PolarHBondContact O-N 3.33Å; K129-G132 PolarHBondContact O-N 3.4Å; K129-E133 WeakPolarHBondContact CE-OE1 3.23Å; K129-E133 HydrophobicContact CG-CG 4.44Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 PolarHBondContact O-N 2.75Å; K129-Y166 HydrophobicContact CB-CE2 3.89Å
130G98.2Very high96.1Very high0 Ų045.6 Ų45.60%026%0.263CS..Hα-helixtrans-57.4-46.917700000113.2F99 A126 I127 A134F99-G130 WeakPolarHBondContact CB-O 3.18Å; F99-G130 VanDerWaalsContact CG-C 3.5Å; A126-G130 PolarHBondContact O-N 2.92Å; I127-G130 PolarHBondContact O-N 3.14Å; G130-A134 VanDerWaalsContact O-CB 3.31Å; G130-A134 WeakPolarHBondContact O-CB 3.26Å; G130-A134 PolarHBondContact O-N 3.26Å; G130-A134 VanDerWaalsContact O-N 3.13Å
131L98.2Very high96.4Very high0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-63.5-42.3175.8-68.2169.7000111.8F15 F99 L102 N115 F117 I127 C128 K129 K135 L136 F167F15-L131 HydrophobicContact CZ-CD2 4.28Å; F99-L131 HydrophobicContact CD1-CD2 4.05Å; F99-L131 HydrophobicContact CD1-CG 4.19Å; F99-L131 HydrophobicContact CE1-CD2 4.13Å; F99-L131 HydrophobicContact CE1-CG 3.96Å; L102-L131 HydrophobicContact CD2-CD2 4.22Å; N115-L131 HydrophobicContact CB-CD1 3.99Å; F117-L131 HydrophobicContact CE1-CD1 4.18Å; F117-L131 HydrophobicContact CZ-CD1 4.21Å; I127-L131 HydrophobicContact CG2-CD1 3.81Å; I127-L131 HydrophobicContact CG2-CG 4.27Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.34Å; C128-L131 PolarHBondContact O-N 2.88Å; K129-L131 PolarHBondContact O-N 3.33Å; L131-K135 PolarHBondContact O-N 3.43Å; L131-L136 HydrophobicContact CB-CB 4.34Å; L131-L136 HydrophobicContact CD2-CB 3.82Å; L131-L136 HydrophobicContact CD2-CD1 4.04Å; L131-L136 WeakPolarHBondContact O-CA 3.48Å; L131-L136 PolarHBondContact O-N 2.81Å; L131-F167 HydrophobicContact CB-CE2 4.34Å; L131-F167 HydrophobicContact CB-CZ 4.07Å; L131-F167 HydrophobicContact CD1-CE2 4.24Å; L131-F167 HydrophobicContact CD1-CZ 3.88Å
132G97.6Very high96.7Very high13 Ų1341.7 Ų41.713%0.13424%0.235CC..Hα-helixtrans-63.9-50.1178.900000113.1C128 K129 A134 K135C128-G132 PolarHBondContact O-N 3.49Å; K129-G132 PolarHBondContact O-N 3.4Å; G132-A134 VanDerWaalsContact C-N 3.31Å; G132-A134 PolarHBondContact O-N 3.12Å; G132-K135 PolarHBondContact O-N 3.06Å
133E97Very high97Very high112 Ų11236.4 Ų36.452%0.52320%0.198SC..Hα-helixtrans-65.3-34.3180-71.2-170.1-162.700112.4T96 K129 K135T96-E133 HydrophobicContact CG2-CB 3.97Å; T96-E133 HydrophobicContact CG2-CG 4.22Å; T96-E133 WeakPolarHBondContact CG2-OE2 3.41Å; K129-E133 WeakPolarHBondContact CE-OE1 3.23Å; K129-E133 HydrophobicContact CG-CG 4.44Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 PolarHBondContact O-N 2.75Å; E133-K135 PolarHBondContact O-N 2.99Å
134A97.1Very high97.2Very high18 Ų1835.5 Ų35.515%0.14919%0.193CC..THydrogen-bonded Turntrans-79.52.1173.100000113.9F99 G130 G132 L136F99-A134 HydrophobicContact CB-CB 3.74Å; G130-A134 VanDerWaalsContact O-CB 3.31Å; G130-A134 WeakPolarHBondContact O-CB 3.26Å; G130-A134 PolarHBondContact O-N 3.26Å; G130-A134 VanDerWaalsContact O-N 3.13Å; G132-A134 VanDerWaalsContact C-N 3.31Å; G132-A134 PolarHBondContact O-N 3.12Å; A134-L136 VanDerWaalsContact C-N 3.25Å; A134-L136 HydrophobicContact CB-CD1 3.92Å; A134-L136 HydrophobicContact CB-CG 3.82Å; A134-L136 PolarHBondContact O-N 2.83Å
135K96.8Very high97.2Very high164 Ų16435.4 Ų35.471%0.71319%0.192SC*.THydrogen-bonded Turntrans59.830.9-178.1-54.3-179.9-179.8178.10114.1Q108 L131 G132 E133 N137Q108-K135 PolarHBondContact NE2-O 2.99Å; L131-K135 PolarHBondContact O-N 3.43Å; G132-K135 PolarHBondContact O-N 3.06Å; E133-K135 PolarHBondContact O-N 2.99Å; K135-N137 VanDerWaalsContact C-N 3.34Å
136L97.4Very high97.1Very high3 Ų335.5 Ų35.52%0.01619%0.189CC..THydrogen-bonded Turntrans-90.64.2179.6-55.5-178.9000113.5L102 L106 L131 A134L102-L136 HydrophobicContact CB-CD1 4.44Å; L102-L136 HydrophobicContact CD2-CD1 4.25Å; L102-L136 HydrophobicContact CG-CD1 4.25Å; L106-L136 HydrophobicContact CD1-CD1 4.07Å; L106-L136 HydrophobicContact CD1-CD2 4.11Å; L131-L136 HydrophobicContact CB-CB 4.34Å; L131-L136 HydrophobicContact CD2-CB 3.82Å; L131-L136 HydrophobicContact CD2-CD1 4.04Å; L131-L136 WeakPolarHBondContact O-CA 3.48Å; L131-L136 PolarHBondContact O-N 2.81Å; A134-L136 VanDerWaalsContact C-N 3.25Å; A134-L136 HydrophobicContact CB-CD1 3.92Å; A134-L136 HydrophobicContact CB-CG 3.82Å; A134-L136 PolarHBondContact O-N 2.83Å
137N96.9Very high96.7Very high38 Ų3836.8 Ų36.820%0.20319%0.19CC..THydrogen-bonded Turntrans-103.6-3-174.666.6-37000114.5K135 Y166 F167 Q171K135-N137 VanDerWaalsContact C-N 3.34Å; N137-Y166 PolarHBondContact ND2-O 3.19Å; N137-F167 HydrophobicContact CB-CD1 4.23Å; N137-F167 HydrophobicContact CB-CE1 3.58Å; N137-F167 HydrophobicContact CB-CE2 4.06Å; N137-F167 HydrophobicContact CB-CZ 3.47Å; N137-F167 VanDerWaalsContact CB-CZ 3.47Å; N137-Q171 PolarHBondContact O-NE2 3.15Å
138A94.7Very high96.1Very high60 Ų6038.7 Ų38.750%0.49620%0.202SC..  trans-60.9138.4-179.600000111.6A141A138-A141 WeakPolarHBondContact O-CB 3.43Å; A138-A141 PolarHBondContact O-N 3.18Å
139K95.7Very high95.8Very high111 Ų11139.3 Ų39.348%0.48321%0.205SC..THydrogen-bonded Turntrans-53.6138.8174-71.4177-179.9170.70110.3E168 C170 Q171K139-E168 WeakPolarHBondContact CE-OE1 3.3Å; K139-E168 WeakPolarHBondContact CE-OE2 3.33Å; K139-E168 IonicContact NZ-OE1 3.43Å; K139-E168 PolarHBondContact NZ-OE1 2.71Å; K139-E168 IonicContact NZ-OE2 3.83Å; K139-E168 PolarHBondContact NZ-OE2 2.77Å; K139-C170 VanDerWaalsContact CE-SG 3.54Å; K139-Q171 HydrophobicContact CG-CG 4.14Å
140P95Very high95.5Very high75 Ų7535.5 Ų35.549%0.48719%0.191SC..THydrogen-bonded Turncis-93.825.612.638.5-38.2000115I112 R142I112-P140 HydrophobicContact CB-CG 4.48Å; I112-P140 HydrophobicContact CD1-CB 4.35Å; I112-P140 HydrophobicContact CD1-CG 3.98Å; I112-P140 HydrophobicContact CG1-CG 3.81Å; I112-P140 HydrophobicContact CG2-CB 4.48Å; I112-P140 HydrophobicContact CG2-CG 4.2Å; I112-P140 WeakPolarHBondContact CG2-O 3.42Å; P140-R142 WeakPolarHBondContact O-CG 3.45Å
141A97.2Very high95.3Very high3 Ų339 Ų393%0.02521%0.213CC..  trans-54.6145.9179.300000112.6T113 A138 Q171T113-A141 CarbonylContact O-C 3.52Å; T113-A141 VanDerWaalsContact O-CA 3.27Å; T113-A141 WeakPolarHBondContact O-CA 3.39Å; A138-A141 WeakPolarHBondContact O-CB 3.43Å; A138-A141 PolarHBondContact O-N 3.18Å; A141-Q171 WeakPolarHBondContact O-CB 3.48Å; A141-Q171 VanDerWaalsContact O-CG 3.29Å; A141-Q171 WeakPolarHBondContact O-CG 3.4Å; A141-Q171 PolarHBondContact O-NE2 3.34Å
142R98.1Very high95.2Very high20 Ų2040.5 Ų40.58%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-127.7149.9-175.4-55.8174.8-172.4141.46.7110.4T113 I114 N115 P140 Q171 Y173 T428 M429T113-R142 PolarHBondContact O-N 2.88Å; I114-R142 HydrophobicContact CG1-CB 4.39Å; N115-R142 PolarHBondContact N-O 3.32Å; N115-R142 PolarHBondContact ND2-O 3.04Å; P140-R142 WeakPolarHBondContact O-CG 3.45Å; R142-Q171 CarbonylContact C-O 3.59Å; R142-Q171 WeakPolarHBondContact CA-O 3.28Å; R142-Y173 HydrophobicContact CB-CD2 4.08Å; R142-Y173 HydrophobicContact CB-CE2 3.93Å; R142-Y173 HydrophobicContact CG-CD2 4.45Å; R142-Y173 HydrophobicContact CG-CE2 3.79Å; R142-T428 WeakPolarHBondContact CD-O 3Å; R142-T428 PolarHBondContact NH1-O 3.27Å; R142-M429 VanDerWaalsContact NH1-C 3.34Å; R142-M429 PolarHBondContact NH1-O 3.19Å
143V98.4Very high95.2Very high0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-120.6134.1170-64.10000109.6N115 F117 V163 F167 Q171 V172 Y173N115-V143 HydrophobicContact CB-CG1 4.26Å; N115-V143 CarbonylContact O-C 3.53Å; N115-V143 WeakPolarHBondContact O-CA 3.32Å; F117-V143 HydrophobicContact CE1-CG1 4.33Å; F117-V143 HydrophobicContact CE2-CB 4.13Å; F117-V143 HydrophobicContact CE2-CG1 4.29Å; F117-V143 HydrophobicContact CZ-CB 3.92Å; F117-V143 HydrophobicContact CZ-CG1 3.66Å; V143-V163 HydrophobicContact CG2-CG1 4.36Å; V143-F167 HydrophobicContact CG1-CD1 3.72Å; V143-F167 HydrophobicContact CG1-CD2 3.95Å; V143-F167 HydrophobicContact CG1-CE1 3.43Å; V143-F167 VanDerWaalsContact CG1-CE1 3.43Å; V143-F167 HydrophobicContact CG1-CE2 3.69Å; V143-F167 HydrophobicContact CG1-CG 3.97Å; V143-F167 HydrophobicContact CG1-CZ 3.41Å; V143-F167 VanDerWaalsContact CG1-CZ 3.41Å; V143-F167 HydrophobicContact CG2-CB 4.46Å; V143-F167 HydrophobicContact CG2-CD1 4.35Å; V143-F167 HydrophobicContact CG2-CG 4.2Å; V143-Q171 PolarHBondContact N-O 3.19Å; V143-V172 HydrophobicContact CG2-CB 4.18Å; V143-V172 HydrophobicContact CG2-CG1 4.22Å; V143-V172 HydrophobicContact CG2-CG2 3.8Å; V143-Y173 WeakPolarHBondContact O-CB 3.33Å; V143-Y173 PolarHBondContact O-N 2.72Å
144V98.4Very high95.2Very high0 Ų039.1 Ų39.10%023%0.225CC..EExtended strand (participates in β ladder)trans-111.2123.2174.8-168.60000108.4I114 N115 Y116 F117 Y173 I175 T428I114-V144 HydrophobicContact CG2-CG2 3.99Å; N115-V144 PolarHBondContact O-N 3.38Å; Y116-V144 HydrophobicContact CD2-CB 3.65Å; Y116-V144 HydrophobicContact CD2-CG1 3.73Å; Y116-V144 HydrophobicContact CD2-CG2 3.93Å; Y116-V144 HydrophobicContact CE2-CB 3.96Å; Y116-V144 HydrophobicContact CE2-CG1 3.46Å; Y116-V144 VanDerWaalsContact CE2-CG1 3.46Å; Y116-V144 HydrophobicContact CE2-CG2 4.42Å; Y116-V144 HydrophobicContact CG-CB 4.01Å; Y116-V144 HydrophobicContact CG-CG1 4.36Å; F117-V144 WeakPolarHBondContact CB-O 3.33Å; F117-V144 PolarHBondContact N-O 3.02Å; V144-Y173 CarbonylContact C-O 3.28Å; V144-Y173 VanDerWaalsContact CA-O 3.3Å; V144-Y173 WeakPolarHBondContact CA-O 3.46Å; V144-I175 HydrophobicContact CG1-CD1 3.75Å; V144-I175 HydrophobicContact CG1-CG1 3.54Å; V144-T428 HydrophobicContact CG2-CG2 3.41Å; V144-T428 VanDerWaalsContact CG2-CG2 3.41Å
145M96.9Very high95.2Very high0 Ų040.2 Ų40.20%023%0.23CC..EExtended strand (participates in β ladder)trans-116.9130.8-174.2-60.1172.767.300110.5F117 F124 L149 I159 V163 V172 Y173 I175F117-M145 HydrophobicContact CD2-CG 3.93Å; F117-M145 HydrophobicContact CE2-CG 4.27Å; F124-M145 HydrophobicContact CD2-CE 3.41Å; F124-M145 VanDerWaalsContact CD2-CE 3.41Å; F124-M145 HydrophobicContact CE2-CB 4.17Å; F124-M145 HydrophobicContact CE2-CE 3.8Å; F124-M145 HydrophobicContact CG-CE 4.33Å; M145-L149 HydrophobicContact CB-CD2 4.21Å; M145-L149 HydrophobicContact CE-CD2 3.75Å; M145-I159 HydrophobicContact CE-CG2 3.87Å; M145-V163 HydrophobicContact CE-CG2 3.62Å; M145-V163 HydrophobicContact SD-CB 4.44Å; M145-V163 HydrophobicContact SD-CG1 4.04Å; M145-V163 HydrophobicContact SD-CG2 3.89Å; M145-V172 HydrophobicContact SD-CG1 3.68Å; M145-Y173 PolarHBondContact N-O 2.73Å; M145-I175 PolarHBondContact O-N 3.44Å
146E93.3Very high95.2Very high14 Ų1432.4 Ų32.47%0.06520%0.196CC..PPolyproline II helixtrans-90155.9175.6-84.1-70.3176.400113.1L21 Y116 L149 I175 Y421L21-E146 HydrophobicContact CD2-CG 3.52Å; Y116-E146 HydrophobicContact CE1-CG 4Å; Y116-E146 PolarHBondContact OH-OE1 3.29Å; E146-L149 WeakPolarHBondContact O-CD2 3.35Å; E146-I175 WeakPolarHBondContact OE1-CG2 3.37Å; E146-Y421 WeakPolarHBondContact OE1-CE1 3.48Å; E146-Y421 PolarHBondContact OE1-OH 2.91Å
147K88.5Confident95.2Very high54 Ų5435.2 Ų35.224%0.23521%0.209CC..SBendtrans-73.5154.517168.5162.4-176.31600110.8D234 N238 H239K147-D234 PolarHBondContact NZ-O 3.47Å; K147-N238 WeakPolarHBondContact CD-ND2 3.47Å; K147-N238 PolarHBondContact NZ-ND2 2.94Å; K147-H239 VanDerWaalsContact CE-CE1 3.47Å; K147-H239 WeakPolarHBondContact CE-CE1 3.28Å; K147-H239 VanDerWaalsContact CE-NE2 3.29Å; K147-H239 WeakPolarHBondContact CE-NE2 3.4Å; K147-H239 PolarHBondContact NZ-CE1 2.95Å; K147-H239 VanDerWaalsContact NZ-CE1 3.27Å; K147-H239 PolarHBondContact NZ-NE2 3.27Å
148P87.3Confident95.2Very high41 Ų4138.9 Ų38.927%0.26623%0.225SC..PPolyproline II helixcis-82.1131.8631-33000113.7P121 G150 Y225P121-P148 HydrophobicContact CG-CG 4.07Å; P121-P148 WeakPolarHBondContact CG-O 3.3Å; P148-G150 VanDerWaalsContact C-N 3.32Å; P148-G150 PolarHBondContact O-N 3.5Å; P148-G150 VanDerWaalsContact O-N 3.16Å; P148-Y225 HydrophobicContact CG-CE2 4.48Å
149L90.1Very high95.3Very high12 Ų1237 Ų376%0.06321%0.206CC..  trans-9269.2174.9-63.3-179.3000110.6F124 M145 E146 S156 R174 W446F124-L149 HydrophobicContact CE2-CD2 3.94Å; M145-L149 HydrophobicContact CB-CD2 4.21Å; M145-L149 HydrophobicContact CE-CD2 3.75Å; E146-L149 WeakPolarHBondContact O-CD2 3.35Å; L149-S156 WeakPolarHBondContact O-CB 3.32Å; L149-S156 PolarHBondContact O-OG 3.19Å; L149-R174 HydrophobicContact CD1-CB 3.79Å; L149-R174 VanDerWaalsContact CD1-CD 3.48Å; L149-R174 HydrophobicContact CD1-CG 3.65Å; L149-W446 PolarHBondContact O-NE1 2.87Å
150G91.8Very high95.3Very high8 Ų831.8 Ų31.88%0.08218%0.184CC..  trans93.5171.2-173.600000112.8P148 T155 W446P148-G150 VanDerWaalsContact C-N 3.32Å; P148-G150 PolarHBondContact O-N 3.5Å; P148-G150 VanDerWaalsContact O-N 3.16Å; G150-T155 WeakPolarHBondContact CA-OG1 3.33Å; G150-W446 VanDerWaalsContact O-CZ2 3.28Å; G150-W446 WeakPolarHBondContact O-CZ2 3.43Å
151T93.8Very high95.4Very high73 Ų7332.1 Ų32.145%0.44818%0.182SC..SBendtrans-116.5-0.4173.655.80000112.5T155 R233T151-T155 PolarHBondContact N-OG1 3.3Å; T151-R233 WeakPolarHBondContact O-CD 3.23Å; T151-R233 PolarHBondContact O-NE 2.91Å
152S96.1Very high95.4Very high31 Ų3135.3 Ų35.322%0.21720%0.196CC..SBendtrans-161.2167.4177.157.90000108.4A154 T155 S156S152-A154 VanDerWaalsContact C-N 3.29Å; S152-A154 PolarHBondContact O-N 3.44Å; S152-T155 PolarHBondContact N-OG1 2.95Å; S152-T155 PolarHBondContact O-N 3.11Å; S152-T155 PolarHBondContact O-OG1 2.74Å; S152-T155 PolarHBondContact OG-N 3.17Å; S152-T155 PolarHBondContact OG-OG1 3.03Å; S152-T155 VanDerWaalsContact OG-OG1 3.05Å; S152-S156 WeakPolarHBondContact O-CB 3.44Å; S152-S156 PolarHBondContact O-N 3.5Å
153L97.7Very high95.4Very high32 Ų3234.4 Ų34.417%0.16819%0.193CC..Hα-helixtrans-50.4-49.1171.7179.360.3000111.7T155 S156 Q157 E443 W446 K447 D450L153-T155 PolarHBondContact O-N 3.49Å; L153-S156 WeakPolarHBondContact O-CB 3.36Å; L153-S156 PolarHBondContact O-N 3.17Å; L153-S156 VanDerWaalsContact O-N 3.16Å; L153-Q157 HydrophobicContact CD1-CG 4.14Å; L153-Q157 HydrophobicContact CG-CG 4.49Å; L153-Q157 WeakPolarHBondContact O-CG 3.23Å; L153-Q157 PolarHBondContact O-N 2.93Å; L153-E443 HydrophobicContact CD1-CB 3.89Å; L153-E443 HydrophobicContact CD1-CG 4.02Å; L153-W446 HydrophobicContact CB-CB 3.83Å; L153-W446 HydrophobicContact CD1-CB 3.94Å; L153-W446 HydrophobicContact CG-CB 4.49Å; L153-K447 HydrophobicContact CD1-CG 4.39Å; L153-K447 HydrophobicContact CD2-CG 3.64Å; L153-D450 WeakPolarHBondContact CB-OD2 3.42Å; L153-D450 PolarHBondContact N-OD2 3.24Å
154A97.8Very high95.3Very high65 Ų6536.6 Ų36.654%0.53722%0.215SC..Hα-helixtrans-60-49.7-176.900000111.9S152 S156 Q157 E158S152-A154 VanDerWaalsContact C-N 3.29Å; S152-A154 PolarHBondContact O-N 3.44Å; A154-S156 VanDerWaalsContact C-N 3.29Å; A154-S156 PolarHBondContact O-N 2.92Å; A154-Q157 PolarHBondContact O-N 3.03Å; A154-E158 PolarHBondContact O-N 3.33Å
155T96.5Very high95.2Very high41 Ų4143.1 Ų43.125%0.25225%0.245SC..Hα-helixtrans-68.6-28.7177.656.90000112.9G150 T151 S152 L153 I159G150-T155 WeakPolarHBondContact CA-OG1 3.33Å; T151-T155 PolarHBondContact N-OG1 3.3Å; S152-T155 PolarHBondContact N-OG1 2.95Å; S152-T155 PolarHBondContact O-N 3.11Å; S152-T155 PolarHBondContact O-OG1 2.74Å; S152-T155 PolarHBondContact OG-N 3.17Å; S152-T155 PolarHBondContact OG-OG1 3.03Å; S152-T155 VanDerWaalsContact OG-OG1 3.05Å; L153-T155 PolarHBondContact O-N 3.49Å; T155-I159 WeakPolarHBondContact O-CD1 3.4Å; T155-I159 WeakPolarHBondContact O-CG1 3.31Å; T155-I159 PolarHBondContact O-N 3.43Å; T155-I159 VanDerWaalsContact O-N 3.14Å
156S96.8Very high95.3Very high0 Ų045.4 Ų45.40%025%0.254CS..Hα-helixtrans-69.2-43.3174.7-164.40000111L149 S152 L153 A154 I159 N160 V442 W446L149-S156 WeakPolarHBondContact O-CB 3.32Å; L149-S156 PolarHBondContact O-OG 3.19Å; S152-S156 WeakPolarHBondContact O-CB 3.44Å; S152-S156 PolarHBondContact O-N 3.5Å; L153-S156 WeakPolarHBondContact O-CB 3.36Å; L153-S156 PolarHBondContact O-N 3.17Å; L153-S156 VanDerWaalsContact O-N 3.16Å; A154-S156 VanDerWaalsContact C-N 3.29Å; A154-S156 PolarHBondContact O-N 2.92Å; S156-I159 PolarHBondContact O-N 3.36Å; S156-N160 WeakPolarHBondContact O-CB 3.26Å; S156-N160 PolarHBondContact O-N 2.75Å; S156-N160 PolarHBondContact O-ND2 2.72Å; S156-V442 WeakPolarHBondContact OG-CG1 3.44Å; S156-W446 VanDerWaalsContact CB-CD1 3.4Å; S156-W446 PolarHBondContact OG-NE1 2.9Å
157Q97.8Very high95.5Very high62 Ų6245 Ų4529%0.2925%0.253SS..Hα-helixtrans-60.7-46.2174.3-74.5176.2-31.400110.7L153 A154 I159 N160 D161 E443L153-Q157 HydrophobicContact CD1-CG 4.14Å; L153-Q157 HydrophobicContact CG-CG 4.49Å; L153-Q157 WeakPolarHBondContact O-CG 3.23Å; L153-Q157 PolarHBondContact O-N 2.93Å; A154-Q157 PolarHBondContact O-N 3.03Å; Q157-I159 PolarHBondContact O-N 2.68Å; Q157-N160 CarbonylContact O-C 3.56Å; Q157-N160 PolarHBondContact O-N 3.16Å; Q157-N160 VanDerWaalsContact O-N 3.14Å; Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 3.39Å; Q157-E443 HydrophobicContact CG-CG 4.17Å; Q157-E443 PolarHBondContact NE2-OE2 3.23Å
158E97.3Very high95.9Very high115 Ų11547.7 Ų47.754%0.53727%0.266SS..Hα-helixtrans-55.1-49.1176.1-175.6-178.7-177.200112.4A154 N160 D161 Q162A154-E158 PolarHBondContact O-N 3.33Å; E158-N160 PolarHBondContact O-N 2.79Å; E158-D161 PolarHBondContact O-N 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.11Å; E158-Q162 PolarHBondContact O-N 3.25Å
159I96.3Very high96.4Very high19 Ų1948.4 Ų48.410%0.09727%0.266CS..Hα-helixtrans-61.8-45.1177.5-69162.5000110.9P121 F124 M145 T155 S156 Q157 D161 Q162 V163P121-I159 HydrophobicContact CB-CD1 3.92Å; F124-I159 HydrophobicContact CD2-CG2 4.03Å; M145-I159 HydrophobicContact CE-CG2 3.87Å; T155-I159 WeakPolarHBondContact O-CD1 3.4Å; T155-I159 WeakPolarHBondContact O-CG1 3.31Å; T155-I159 PolarHBondContact O-N 3.43Å; T155-I159 VanDerWaalsContact O-N 3.14Å; S156-I159 PolarHBondContact O-N 3.36Å; Q157-I159 PolarHBondContact O-N 2.68Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-Q162 PolarHBondContact O-N 3.2Å; I159-V163 WeakPolarHBondContact O-CG2 3.2Å; I159-V163 PolarHBondContact O-N 3.16Å; I159-V163 VanDerWaalsContact O-N 3.17Å
160N96.5Very high96.6Very high2 Ų250.8 Ų50.81%0.01128%0.283CS..Hα-helixtrans-70-31-178.7-78.8-76.3000112.8S156 Q157 E158 V163 G164 R174 R439S156-N160 WeakPolarHBondContact O-CB 3.26Å; S156-N160 PolarHBondContact O-N 2.75Å; S156-N160 PolarHBondContact O-ND2 2.72Å; Q157-N160 CarbonylContact O-C 3.56Å; Q157-N160 PolarHBondContact O-N 3.16Å; Q157-N160 VanDerWaalsContact O-N 3.14Å; E158-N160 PolarHBondContact O-N 2.79Å; N160-V163 PolarHBondContact O-N 3.25Å; N160-G164 PolarHBondContact O-N 3.01Å; N160-R174 VanDerWaalsContact OD1-CZ 3.23Å; N160-R174 PolarHBondContact OD1-NE 2.75Å; N160-R174 PolarHBondContact OD1-NH2 3.19Å; N160-R439 HydrophobicContact CB-CG 4.28Å
161D97.5Very high96.9Very high83 Ų8350.9 Ų50.944%0.44428%0.281SS..Hα-helixtrans-69.6-42.9175.3-72-23.6000110.9Q157 E158 I159 V163 G164 E165 R439Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 3.39Å; E158-D161 PolarHBondContact O-N 3.23Å; I159-D161 VanDerWaalsContact C-N 3.35Å; D161-V163 VanDerWaalsContact C-N 3.27Å; D161-V163 PolarHBondContact O-N 3.29Å; D161-G164 PolarHBondContact O-N 3.33Å; D161-E165 PolarHBondContact O-N 3.01Å; D161-R439 IonicContact OD1-CZ 3.96Å; D161-R439 IonicContact OD1-NH1 2.71Å; D161-R439 PolarHBondContact OD1-NH1 3.38Å; D161-R439 IonicContact OD1-NH2 3.78Å; D161-R439 PolarHBondContact OD1-NH2 2.9Å; D161-R439 IonicContact OD2-NH2 2.71Å
162Q96.8Very high97.1Very high70 Ų7047.5 Ų47.533%0.32726%0.26SS..Hα-helixtrans-59.9-37.2173.9-72.2174.8-1.100112.5E158 I159 Y166E158-Q162 WeakPolarHBondContact O-CG 3.11Å; E158-Q162 PolarHBondContact O-N 3.25Å; I159-Q162 PolarHBondContact O-N 3.2Å; Q162-Y166 WeakPolarHBondContact O-CD2 3.48Å
163V97Very high97.2Very high1 Ų146.2 Ų46.21%0.00625%0.251CS..Hα-helixtrans-74.1-42.6174.9175.30000110.9V143 M145 I159 N160 D161 E165 Y166 F167 V172V143-V163 HydrophobicContact CG2-CG1 4.36Å; M145-V163 HydrophobicContact CE-CG2 3.62Å; M145-V163 HydrophobicContact SD-CB 4.44Å; M145-V163 HydrophobicContact SD-CG1 4.04Å; M145-V163 HydrophobicContact SD-CG2 3.89Å; I159-V163 WeakPolarHBondContact O-CG2 3.2Å; I159-V163 PolarHBondContact O-N 3.16Å; I159-V163 VanDerWaalsContact O-N 3.17Å; N160-V163 PolarHBondContact O-N 3.25Å; D161-V163 VanDerWaalsContact C-N 3.27Å; D161-V163 PolarHBondContact O-N 3.29Å; V163-E165 PolarHBondContact O-N 2.78Å; V163-Y166 PolarHBondContact O-N 3.49Å; V163-F167 HydrophobicContact CG1-CB 4.31Å; V163-F167 PolarHBondContact O-N 2.97Å; V163-V172 HydrophobicContact CG1-CG2 3.9Å
164G96.8Very high97.2Very high46 Ų4644.9 Ų44.947%0.47424%0.243SC..Hα-helixtrans-64.5-20.5-179.200000114.6N160 D161 Y166 F167N160-G164 PolarHBondContact O-N 3.01Å; D161-G164 PolarHBondContact O-N 3.33Å; G164-Y166 PolarHBondContact O-N 2.8Å; G164-F167 WeakPolarHBondContact CA-O 3.44Å
165E97.4Very high97.1Very high136 Ų13642.1 Ų42.164%0.63622%0.22SC*.THydrogen-bonded Turntrans-62.5-31171.1-171.6-179.7152.600112.2D161 V163D161-E165 PolarHBondContact O-N 3.01Å; V163-E165 PolarHBondContact O-N 2.78Å
166Y98.1Very high97.1Very high48 Ų4840.3 Ų40.319%0.18821%0.208CC..THydrogen-bonded Turntrans-118.7-21.1-173-58.1-76.5000114.6C128 K129 N137 Q162 V163 G164C128-Y166 HydrophobicContact CB-CD2 3.84Å; C128-Y166 HydrophobicContact CB-CG 4.39Å; K129-Y166 HydrophobicContact CB-CE2 3.89Å; N137-Y166 PolarHBondContact ND2-O 3.19Å; Q162-Y166 WeakPolarHBondContact O-CD2 3.48Å; V163-Y166 PolarHBondContact O-N 3.49Å; G164-Y166 PolarHBondContact O-N 2.8Å
167F98.1Very high96.9Very high6 Ų642.6 Ų42.63%0.02622%0.219CC..  trans-130.5136.8-176.9-69.1-89.2000111.2C128 L131 N137 V143 V163 G164 Q171 V172C128-F167 HydrophobicContact CB-CD2 4.26Å; C128-F167 HydrophobicContact CB-CE2 4.09Å; L131-F167 HydrophobicContact CB-CE2 4.34Å; L131-F167 HydrophobicContact CB-CZ 4.07Å; L131-F167 HydrophobicContact CD1-CE2 4.24Å; L131-F167 HydrophobicContact CD1-CZ 3.88Å; N137-F167 HydrophobicContact CB-CD1 4.23Å; N137-F167 HydrophobicContact CB-CE1 3.58Å; N137-F167 HydrophobicContact CB-CE2 4.06Å; N137-F167 HydrophobicContact CB-CZ 3.47Å; N137-F167 VanDerWaalsContact CB-CZ 3.47Å; V143-F167 HydrophobicContact CG1-CD1 3.72Å; V143-F167 HydrophobicContact CG1-CD2 3.95Å; V143-F167 HydrophobicContact CG1-CE1 3.43Å; V143-F167 VanDerWaalsContact CG1-CE1 3.43Å; V143-F167 HydrophobicContact CG1-CE2 3.69Å; V143-F167 HydrophobicContact CG1-CG 3.97Å; V143-F167 HydrophobicContact CG1-CZ 3.41Å; V143-F167 VanDerWaalsContact CG1-CZ 3.41Å; V143-F167 HydrophobicContact CG2-CB 4.46Å; V143-F167 HydrophobicContact CG2-CD1 4.35Å; V143-F167 HydrophobicContact CG2-CG 4.2Å; V163-F167 HydrophobicContact CG1-CB 4.31Å; V163-F167 PolarHBondContact O-N 2.97Å; G164-F167 WeakPolarHBondContact CA-O 3.44Å; F167-Q171 HydrophobicContact CB-CB 4.44Å; F167-Q171 HydrophobicContact CD1-CB 4.12Å; F167-V172 HydrophobicContact CB-CG2 4.11Å
168E97.3Very high96.7Very high110 Ų11040.1 Ų40.151%0.51421%0.207SC..  trans-77.6155.4171-65.7-177.7-134.500111.3K139 C170 Q171K139-E168 WeakPolarHBondContact CE-OE1 3.3Å; K139-E168 WeakPolarHBondContact CE-OE2 3.33Å; K139-E168 IonicContact NZ-OE1 3.43Å; K139-E168 PolarHBondContact NZ-OE1 2.71Å; K139-E168 IonicContact NZ-OE2 3.83Å; K139-E168 PolarHBondContact NZ-OE2 2.77Å; E168-C170 PolarHBondContact O-N 3.11Å; E168-C170 VanDerWaalsContact O-N 3.08Å; E168-Q171 VanDerWaalsContact N-OE1 3.16Å; E168-Q171 WeakPolarHBondContact O-CA 3.28Å; E168-Q171 VanDerWaalsContact O-CB 3.32Å; E168-Q171 WeakPolarHBondContact O-CB 2.89Å; E168-Q171 PolarHBondContact O-N 3.16Å
169E96.4Very high96.5Very high56 Ų5634.9 Ų34.926%0.26218%0.183SC..G310 helixtrans-57.4-29.6-177.1-174.963-17000113.6Q171 V172 R174 Q433 R438 R439E169-Q171 PolarHBondContact O-N 3.25Å; E169-V172 PolarHBondContact O-N 3.11Å; E169-R174 VanDerWaalsContact CD-NH1 3.33Å; E169-R174 IonicContact OE1-CZ 3.33Å; E169-R174 IonicContact OE1-NH1 3.8Å; E169-R174 PolarHBondContact OE1-NH1 2.85Å; E169-R174 IonicContact OE1-NH2 3.16Å; E169-R174 IonicContact OE2-CZ 2.79Å; E169-R174 IonicContact OE2-NH1 3.19Å; E169-R174 PolarHBondContact OE2-NH1 3.49Å; E169-R174 IonicContact OE2-NH2 2.68Å; E169-R174 PolarHBondContact OE2-NH2 2.88Å; E169-Q433 PolarHBondContact O-NE2 2.89Å; E169-R438 HydrophobicContact CG-CG 4.09Å; E169-R438 WeakPolarHBondContact OE1-CA 3.45Å; E169-R438 WeakPolarHBondContact OE1-CG 3.3Å; E169-R439 PolarHBondContact OE1-N 2.93Å
170C95.5Very high96.3Very high62 Ų6234 Ų3442%0.41918%0.178SC..G310 helixtrans-69.6-1217568.10000113.9K139 E168K139-C170 VanDerWaalsContact CE-SG 3.54Å; E168-C170 PolarHBondContact O-N 3.11Å; E168-C170 VanDerWaalsContact O-N 3.08Å
171Q97.5Very high96Very high10 Ų1035 Ų355%0.04718%0.183CC..G310 helixtrans-98.5-10.1176.1-58.9179-94.400112.3N137 K139 A141 R142 V143 F167 E168 E169 Y173N137-Q171 PolarHBondContact O-NE2 3.15Å; K139-Q171 HydrophobicContact CG-CG 4.14Å; A141-Q171 WeakPolarHBondContact O-CB 3.48Å; A141-Q171 VanDerWaalsContact O-CG 3.29Å; A141-Q171 WeakPolarHBondContact O-CG 3.4Å; A141-Q171 PolarHBondContact O-NE2 3.34Å; R142-Q171 CarbonylContact C-O 3.59Å; R142-Q171 WeakPolarHBondContact CA-O 3.28Å; V143-Q171 PolarHBondContact N-O 3.19Å; F167-Q171 HydrophobicContact CB-CB 4.44Å; F167-Q171 HydrophobicContact CD1-CB 4.12Å; E168-Q171 VanDerWaalsContact N-OE1 3.16Å; E168-Q171 WeakPolarHBondContact O-CA 3.28Å; E168-Q171 VanDerWaalsContact O-CB 3.32Å; E168-Q171 WeakPolarHBondContact O-CB 2.89Å; E168-Q171 PolarHBondContact O-N 3.16Å; E169-Q171 PolarHBondContact O-N 3.25Å; Q171-Y173 WeakPolarHBondContact O-CD2 3.5Å
172V97.8Very high95.6Very high2 Ų233.8 Ų33.81%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-99.9126.6-171.9-1760000111.2V143 M145 V163 F167 E169 R174 Q433V143-V172 HydrophobicContact CG2-CB 4.18Å; V143-V172 HydrophobicContact CG2-CG1 4.22Å; V143-V172 HydrophobicContact CG2-CG2 3.8Å; M145-V172 HydrophobicContact SD-CG1 3.68Å; V163-V172 HydrophobicContact CG1-CG2 3.9Å; F167-V172 HydrophobicContact CB-CG2 4.11Å; E169-V172 PolarHBondContact O-N 3.11Å; V172-R174 HydrophobicContact CG1-CG 4.05Å; V172-Q433 PolarHBondContact O-NE2 3.12Å
173Y98Very high95.1Very high5 Ų530.5 Ų30.52%0.0216%0.159CC..EExtended strand (participates in β ladder)trans-120.892.5-177.4-71.6-105.1000108.9R142 V143 V144 M145 Q171 T428 G431 Q433 F436R142-Y173 HydrophobicContact CB-CD2 4.08Å; R142-Y173 HydrophobicContact CB-CE2 3.93Å; R142-Y173 HydrophobicContact CG-CD2 4.45Å; R142-Y173 HydrophobicContact CG-CE2 3.79Å; V143-Y173 WeakPolarHBondContact O-CB 3.33Å; V143-Y173 PolarHBondContact O-N 2.72Å; V144-Y173 CarbonylContact C-O 3.28Å; V144-Y173 VanDerWaalsContact CA-O 3.3Å; V144-Y173 WeakPolarHBondContact CA-O 3.46Å; M145-Y173 PolarHBondContact N-O 2.73Å; Q171-Y173 WeakPolarHBondContact O-CD2 3.5Å; Y173-T428 HydrophobicContact CD1-CG2 4.22Å; Y173-T428 HydrophobicContact CG-CG2 4.23Å; Y173-G431 VanDerWaalsContact OH-CA 3.23Å; Y173-G431 WeakPolarHBondContact OH-CA 3.45Å; Y173-G431 PolarHBondContact OH-O 2.94Å; Y173-G431 VanDerWaalsContact OH-O 3.1Å; Y173-Q433 HydrophobicContact CD1-CG 4.2Å; Y173-Q433 HydrophobicContact CE1-CB 4.44Å; Y173-Q433 HydrophobicContact CE1-CG 3.55Å; Y173-Q433 HydrophobicContact CE2-CG 4.12Å; Y173-Q433 VanDerWaalsContact CZ-CG 3.48Å; Y173-F436 HydrophobicContact CD1-CB 4.5Å; Y173-F436 AromaticContact CD1-CD1 3.77Å; Y173-F436 HydrophobicContact CD1-CD1 3.77Å; Y173-F436 AromaticContact CD1-CD2 3.55Å; Y173-F436 HydrophobicContact CD1-CD2 3.55Å; Y173-F436 AromaticContact CD1-CE1 3.73Å; Y173-F436 HydrophobicContact CD1-CE1 3.73Å; Y173-F436 AromaticContact CD1-CE2 3.54Å; Y173-F436 HydrophobicContact CD1-CE2 3.54Å; Y173-F436 AromaticContact CD1-CG 3.66Å; Y173-F436 HydrophobicContact CD1-CG 3.66Å; Y173-F436 AromaticContact CD1-CZ 3.62Å; Y173-F436 HydrophobicContact CD1-CZ 3.62Å; Y173-F436 HydrophobicContact CE1-CD2 4.09Å; Y173-F436 HydrophobicContact CE1-CE2 4.02Å; Y173-F436 HydrophobicContact CE1-CZ 4.42Å; Y173-F436 HydrophobicContact CG-CD1 4.13Å; Y173-F436 HydrophobicContact CG-CE1 4.24Å; Y173-F436 HydrophobicContact CG-CG 4.28Å
174R97.5Very high94.7Very high3 Ų330.5 Ų30.51%0.01116%0.159CC..EExtended strand (participates in β ladder)trans-84.5119.9178.4-59.9177-171.978.81.9110L149 N160 E169 V172 D176 F436 V437L149-R174 HydrophobicContact CD1-CB 3.79Å; L149-R174 VanDerWaalsContact CD1-CD 3.48Å; L149-R174 HydrophobicContact CD1-CG 3.65Å; N160-R174 VanDerWaalsContact OD1-CZ 3.23Å; N160-R174 PolarHBondContact OD1-NE 2.75Å; N160-R174 PolarHBondContact OD1-NH2 3.19Å; E169-R174 VanDerWaalsContact CD-NH1 3.33Å; E169-R174 IonicContact OE1-CZ 3.33Å; E169-R174 IonicContact OE1-NH1 3.8Å; E169-R174 PolarHBondContact OE1-NH1 2.85Å; E169-R174 IonicContact OE1-NH2 3.16Å; E169-R174 IonicContact OE2-CZ 2.79Å; E169-R174 IonicContact OE2-NH1 3.19Å; E169-R174 PolarHBondContact OE2-NH1 3.49Å; E169-R174 IonicContact OE2-NH2 2.68Å; E169-R174 PolarHBondContact OE2-NH2 2.88Å; V172-R174 HydrophobicContact CG1-CG 4.05Å; R174-D176 PolarHBondContact O-N 2.9Å; R174-F436 WeakPolarHBondContact O-CA 3.37Å; R174-V437 HydrophobicContact CB-CB 4.16Å; R174-V437 WeakPolarHBondContact CB-O 3.33Å; R174-V437 WeakPolarHBondContact CD-O 3.04Å; R174-V437 PolarHBondContact NH1-O 2.91Å; R174-V437 PolarHBondContact O-N 2.82Å; R174-V437 VanDerWaalsContact O-N 3.12Å
175I96.8Very high94.3Very high8 Ų830.2 Ų30.24%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-77.1124.4-177.5-64.7-72.1000110.3V144 M145 E146 H177 L424 F436V144-I175 HydrophobicContact CG1-CD1 3.75Å; V144-I175 HydrophobicContact CG1-CG1 3.54Å; M145-I175 PolarHBondContact O-N 3.44Å; E146-I175 WeakPolarHBondContact OE1-CG2 3.37Å; I175-H177 HydrophobicContact CG2-CB 4.35Å; I175-L424 HydrophobicContact CD1-CB 3.94Å; I175-L424 HydrophobicContact CD1-CD1 3.92Å; I175-L424 HydrophobicContact CD1-CG 4.39Å; I175-L424 HydrophobicContact CG2-CD1 4.19Å; I175-F436 HydrophobicContact CD1-CD1 4.17Å; I175-F436 HydrophobicContact CD1-CE1 3.62Å
176D95.4Very high94Very high3 Ų325.8 Ų25.82%0.01613%0.127CC..  trans-120107.4147.4-172.4-41.7000107.5R174 Y178 L179 N238 H239 Q242 V437R174-D176 PolarHBondContact O-N 2.9Å; D176-Y178 PolarHBondContact O-N 3.07Å; D176-Y178 VanDerWaalsContact O-N 3.1Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.5Å; D176-Y178 PolarHBondContact OD1-N 2.89Å; D176-L179 HydrophobicContact CB-CD1 4.19Å; D176-L179 HydrophobicContact CB-CG 4.27Å; D176-L179 WeakPolarHBondContact O-CB 3.44Å; D176-L179 PolarHBondContact O-N 3.31Å; D176-N238 VanDerWaalsContact OD2-C 3.26Å; D176-N238 WeakPolarHBondContact OD2-CB 3.25Å; D176-H239 IonicContact OD1-CE1 2.88Å; D176-H239 PolarHBondContact OD1-CE1 2.95Å; D176-H239 IonicContact OD1-CG 3.58Å; D176-H239 IonicContact OD1-ND1 2.74Å; D176-H239 PolarHBondContact OD1-ND1 3.44Å; D176-H239 WeakPolarHBondContact OD2-CA 3.31Å; D176-H239 IonicContact OD2-CE1 3.55Å; D176-H239 IonicContact OD2-CG 2.97Å; D176-H239 PolarHBondContact OD2-N 3.35Å; D176-H239 IonicContact OD2-ND1 3.49Å; D176-H239 PolarHBondContact OD2-ND1 2.88Å; D176-Q242 HydrophobicContact CB-CG 4.12Å; D176-Q242 VanDerWaalsContact OD2-CG 3.24Å; D176-Q242 WeakPolarHBondContact OD2-CG 3.48Å; D176-V437 HydrophobicContact CB-CG2 3.82Å
177H93.7Very high93.7Very high47 Ų4723.5 Ų23.522%0.21812%0.118CC..G310 helixtrans-65.1-15.3-174.873.5-87.5000113.8I175 L179 G180 H239 A420 Y421 L424I175-H177 HydrophobicContact CG2-CB 4.35Å; H177-L179 VanDerWaalsContact C-N 3.29Å; H177-L179 PolarHBondContact O-N 3.1Å; H177-G180 PolarHBondContact O-N 3.08Å; H177-H239 AromaticContact CE1-CE1 3.44Å; H177-H239 PolarHBondContact CE1-CE1 3.25Å; H177-H239 VanDerWaalsContact CE1-CE1 3.44Å; H177-H239 AromaticContact CE1-NE2 3.14Å; H177-H239 PolarHBondContact CE1-NE2 3.43Å; H177-H239 AromaticContact ND1-CE1 3.5Å; H177-H239 AromaticContact ND1-NE2 3.68Å; H177-A420 HydrophobicContact CB-CB 4.11Å; H177-A420 WeakPolarHBondContact O-CB 2.96Å; H177-Y421 HydrophobicContact CB-CD2 4.5Å; H177-Y421 HydrophobicContact CB-CE2 3.89Å; H177-L424 HydrophobicContact CB-CD1 4.37Å
178Y93.1Very high93.4Very high10 Ų1024.9 Ų24.94%0.03913%0.126CC..G310 helixtrans-68.9-30.7172.6-84.5-107.8000112D176 G180 K181 V184 V213 M235 H239 I243 Q377D176-Y178 PolarHBondContact O-N 3.07Å; D176-Y178 VanDerWaalsContact O-N 3.1Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.5Å; D176-Y178 PolarHBondContact OD1-N 2.89Å; Y178-G180 PolarHBondContact O-N 2.99Å; Y178-K181 HydrophobicContact CD1-CD 3.88Å; Y178-K181 HydrophobicContact CE1-CD 4.34Å; Y178-K181 HydrophobicContact CG-CD 4.27Å; Y178-K181 WeakPolarHBondContact O-CB 3.47Å; Y178-K181 PolarHBondContact O-N 3.31Å; Y178-K181 VanDerWaalsContact O-N 3.14Å; Y178-V184 WeakPolarHBondContact O-CB 3.49Å; Y178-V184 VanDerWaalsContact O-CG2 3.28Å; Y178-V184 WeakPolarHBondContact O-CG2 3.16Å; Y178-V213 HydrophobicContact CE1-CG1 4.37Å; Y178-V213 HydrophobicContact CE1-CG2 4.41Å; Y178-V213 WeakPolarHBondContact OH-CG1 3.46Å; Y178-M235 HydrophobicContact CE2-CE 4.46Å; Y178-H239 HydrophobicContact CD1-CB 4.42Å; Y178-H239 HydrophobicContact CD2-CB 3.61Å; Y178-H239 AromaticContact CD2-CD2 3.46Å; Y178-H239 VanDerWaalsContact CD2-CD2 3.46Å; Y178-H239 WeakPolarHBondContact CD2-CD2 3.5Å; Y178-H239 AromaticContact CD2-CE1 3.71Å; Y178-H239 AromaticContact CD2-CG 3.23Å; Y178-H239 AromaticContact CD2-ND1 3.43Å; Y178-H239 WeakPolarHBondContact CD2-ND1 3.46Å; Y178-H239 AromaticContact CD2-NE2 3.73Å; Y178-H239 HydrophobicContact CE2-CB 3.89Å; Y178-H239 AromaticContact CE2-CD2 3.26Å; Y178-H239 WeakPolarHBondContact CE2-CD2 3.3Å; Y178-H239 AromaticContact CE2-CG 3.51Å; Y178-H239 AromaticContact CE2-NE2 3.69Å; Y178-H239 HydrophobicContact CG-CB 3.89Å; Y178-H239 AromaticContact CG-CG 3.98Å; Y178-I243 HydrophobicContact CD1-CD1 3.77Å; Y178-I243 HydrophobicContact CE1-CD1 4.28Å; Y178-Q377 PolarHBondContact OH-NE2 3.41Å; Y178-Q377 VanDerWaalsContact OH-NE2 3.11Å
179L93.2Very high93.2Very high5 Ų521.9 Ų21.93%0.02612%0.12CC..G310 helixtrans-67.4-19.8174.6-64.5177.3000112.8D176 H177 K181 V184 L185 Q242 M246 L435 V437D176-L179 HydrophobicContact CB-CD1 4.19Å; D176-L179 HydrophobicContact CB-CG 4.27Å; D176-L179 WeakPolarHBondContact O-CB 3.44Å; D176-L179 PolarHBondContact O-N 3.31Å; H177-L179 VanDerWaalsContact C-N 3.29Å; H177-L179 PolarHBondContact O-N 3.1Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-V184 HydrophobicContact CD2-CG1 4.24Å; L179-L185 WeakPolarHBondContact O-CD2 3.4Å; L179-Q242 HydrophobicContact CD1-CG 4.43Å; L179-Q242 HydrophobicContact CD2-CB 4.06Å; L179-Q242 HydrophobicContact CG-CB 4.34Å; L179-Q242 HydrophobicContact CG-CG 4.43Å; L179-M246 HydrophobicContact CD2-CG 4.16Å; L179-L435 HydrophobicContact CB-CB 4.39Å; L179-L435 VanDerWaalsContact CD1-O 3.32Å; L179-L435 WeakPolarHBondContact CD1-O 3.42Å; L179-V437 HydrophobicContact CD1-CG2 4.2Å
180G92.1Very high93Very high1 Ų120.1 Ų20.11%0.0111%0.112CC..G310 helixtrans-81.7-8.3174.500000114.3H177 Y178H177-G180 PolarHBondContact O-N 3.08Å; Y178-G180 PolarHBondContact O-N 2.99Å
181K90.6Very high92.9Very high24 Ų2417.3 Ų17.310%0.1049%0.093CC..SBendtrans-75.7135.2-179.2-69.7177.2160.5-73.40111.2Y178 L179 T183 V184 L185 L376Y178-K181 HydrophobicContact CD1-CD 3.88Å; Y178-K181 HydrophobicContact CE1-CD 4.34Å; Y178-K181 HydrophobicContact CG-CD 4.27Å; Y178-K181 WeakPolarHBondContact O-CB 3.47Å; Y178-K181 PolarHBondContact O-N 3.31Å; Y178-K181 VanDerWaalsContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.34Å; K181-T183 VanDerWaalsContact C-N 3.31Å; K181-T183 PolarHBondContact O-N 3Å; K181-V184 HydrophobicContact CB-CB 4.37Å; K181-V184 HydrophobicContact CB-CG2 4.04Å; K181-V184 WeakPolarHBondContact O-CB 3.5Å; K181-V184 PolarHBondContact O-N 3.05Å; K181-L185 PolarHBondContact O-N 3.41Å; K181-L185 VanDerWaalsContact O-N 3.1Å; K181-L376 PolarHBondContact NZ-O 3.07Å
182E87.9Confident92.7Very high56 Ų5619.4 Ų19.426%0.26210%0.102SC..Hα-helixtrans-57.5-40.1-173.9-165.764.3-150.800113.4L185 N186 Y408 L417 R423E182-L185 WeakPolarHBondContact O-CB 3.37Å; E182-L185 PolarHBondContact O-N 3.15Å; E182-N186 PolarHBondContact O-N 3.17Å; E182-Y408 HydrophobicContact CG-CD2 4.45Å; E182-Y408 HydrophobicContact CG-CE2 3.93Å; E182-L417 HydrophobicContact CB-CD1 4.33Å; E182-L417 HydrophobicContact CB-CD2 4.27Å; E182-L417 HydrophobicContact CB-CG 4.45Å; E182-L417 HydrophobicContact CG-CD1 4.27Å; E182-R423 IonicContact OE2-CZ 3.61Å; E182-R423 IonicContact OE2-NH2 2.86Å; E182-R423 PolarHBondContact OE2-NH2 3.29Å
183T86.6Confident92.6Very high1 Ų123.1 Ų23.11%0.00613%0.133CC..Hα-helixtrans-73.5-26.3178.7430000113.6K181 N186 L187 R375 L376 E380 Y408K181-T183 VanDerWaalsContact C-N 3.31Å; K181-T183 PolarHBondContact O-N 3Å; T183-N186 PolarHBondContact O-N 2.91Å; T183-L187 PolarHBondContact O-N 3.47Å; T183-R375 WeakPolarHBondContact CG2-O 3.43Å; T183-R375 PolarHBondContact OG1-O 3.28Å; T183-L376 WeakPolarHBondContact OG1-CA 3.36Å; T183-L376 VanDerWaalsContact OG1-CD2 3.29Å; T183-L376 WeakPolarHBondContact OG1-CD2 3.36Å; T183-E380 HydrophobicContact CG2-CB 3.74Å; T183-E380 HydrophobicContact CG2-CG 4.16Å; T183-Y408 HydrophobicContact CG2-CE2 4.03Å
184V89.7Confident92.4Very high2 Ų226 Ų261%0.01215%0.148CC..Hα-helixtrans-69.5-40.6170.4177.90000110.2Y178 L179 K181 N186 L187 M246 L376Y178-V184 WeakPolarHBondContact O-CB 3.49Å; Y178-V184 VanDerWaalsContact O-CG2 3.28Å; Y178-V184 WeakPolarHBondContact O-CG2 3.16Å; L179-V184 HydrophobicContact CD2-CG1 4.24Å; K181-V184 HydrophobicContact CB-CB 4.37Å; K181-V184 HydrophobicContact CB-CG2 4.04Å; K181-V184 WeakPolarHBondContact O-CB 3.5Å; K181-V184 PolarHBondContact O-N 3.05Å; V184-N186 VanDerWaalsContact C-N 3.32Å; V184-N186 PolarHBondContact O-N 2.72Å; V184-L187 HydrophobicContact CG1-CD1 4.44Å; V184-L187 VanDerWaalsContact O-CB 3.28Å; V184-L187 WeakPolarHBondContact O-CB 3.48Å; V184-L187 WeakPolarHBondContact O-CG 3.49Å; V184-L187 PolarHBondContact O-N 3.02Å; V184-M246 HydrophobicContact CG1-CG 4.31Å; V184-L376 HydrophobicContact CG2-CD1 3.94Å; V184-L376 HydrophobicContact CG2-CD2 3.74Å; V184-L376 HydrophobicContact CG2-CG 4.4Å
185L87.3Confident92.1Very high40 Ų4030 Ų3021%0.20918%0.177CC..Hα-helixtrans-61.9-42173.2-61.5176.7000111.8L179 K181 E182 L187 L188 R423 L435L179-L185 WeakPolarHBondContact O-CD2 3.4Å; K181-L185 PolarHBondContact O-N 3.41Å; K181-L185 VanDerWaalsContact O-N 3.1Å; E182-L185 WeakPolarHBondContact O-CB 3.37Å; E182-L185 PolarHBondContact O-N 3.15Å; L185-L187 PolarHBondContact O-N 3.39Å; L185-L187 VanDerWaalsContact O-N 3.1Å; L185-L188 PolarHBondContact O-N 3.47Å; L185-R423 HydrophobicContact CD1-CG 4.33Å; L185-L435 HydrophobicContact CD1-CD1 4.45Å; L185-L435 HydrophobicContact CD2-CD1 3.71Å; L185-L435 HydrophobicContact CD2-CD2 3.18Å; L185-L435 HydrophobicContact CD2-CG 4.07Å
186N91Very high91.8Very high42 Ų4235.6 Ų35.623%0.22521%0.206CC..Hα-helixtrans-61.6-19.6179.5-168.448.1000113E182 T183 V184 L188 A189 L190 Y408E182-N186 PolarHBondContact O-N 3.17Å; T183-N186 PolarHBondContact O-N 2.91Å; V184-N186 VanDerWaalsContact C-N 3.32Å; V184-N186 PolarHBondContact O-N 2.72Å; N186-L188 PolarHBondContact O-N 3.19Å; N186-A189 PolarHBondContact O-N 3.36Å; N186-A189 VanDerWaalsContact O-N 3.16Å; N186-L190 VanDerWaalsContact O-CB 3.26Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3Å; N186-Y408 WeakPolarHBondContact CB-OH 3.44Å; N186-Y408 PolarHBondContact ND2-OH 2.84Å
187L92.3Very high91.7Very high1 Ų136.4 Ų36.41%0.00521%0.21CC..Hα-helixtrans-56.7-36.3176.3-65.9177.1000112.7T183 V184 L185 R191 M246 I247 I374T183-L187 PolarHBondContact O-N 3.47Å; V184-L187 HydrophobicContact CG1-CD1 4.44Å; V184-L187 VanDerWaalsContact O-CB 3.28Å; V184-L187 WeakPolarHBondContact O-CB 3.48Å; V184-L187 WeakPolarHBondContact O-CG 3.49Å; V184-L187 PolarHBondContact O-N 3.02Å; L185-L187 PolarHBondContact O-N 3.39Å; L185-L187 VanDerWaalsContact O-N 3.1Å; L187-R191 VanDerWaalsContact O-CB 3.25Å; L187-R191 WeakPolarHBondContact O-CB 3.22Å; L187-R191 WeakPolarHBondContact O-CG 3.27Å; L187-R191 PolarHBondContact O-N 3.22Å; L187-M246 HydrophobicContact CD1-CB 3.78Å; L187-I247 HydrophobicContact CD1-CD1 3.7Å; L187-I247 HydrophobicContact CD1-CG1 4.21Å; L187-I247 HydrophobicContact CD2-CD1 3.57Å; L187-I247 HydrophobicContact CG-CD1 4.23Å; L187-I374 HydrophobicContact CD2-CD1 3.69Å; L187-I374 HydrophobicContact CD2-CG1 4.42Å; L187-I374 HydrophobicContact CD2-CG2 4.12Å
188L92.3Very high91.6Very high34 Ų3436.9 Ų36.918%0.17822%0.216CC..Hα-helixtrans-66-47.3177.5-66.7178.2000111.2L185 N186 F192 M246 M249 I260L185-L188 PolarHBondContact O-N 3.47Å; N186-L188 PolarHBondContact O-N 3.19Å; L188-F192 HydrophobicContact CD2-CD2 4.09Å; L188-F192 HydrophobicContact CD2-CE2 3.75Å; L188-F192 WeakPolarHBondContact O-CB 3.18Å; L188-F192 WeakPolarHBondContact O-CD2 3.3Å; L188-F192 PolarHBondContact O-N 2.77Å; L188-M246 HydrophobicContact CD1-CE 4.1Å; L188-M246 HydrophobicContact CD2-CE 3.65Å; L188-M246 HydrophobicContact CG-CE 3.62Å; L188-M249 HydrophobicContact CD2-CE 3.84Å; L188-M249 HydrophobicContact CD2-SD 4.1Å; L188-I260 HydrophobicContact CD1-CD1 3.94Å
189A92.5Very high91.4Very high48 Ų4841.2 Ų41.240%0.39724%0.24SC..Hα-helixtrans-65.2-48.2178.200000110.9N186 R191 A193 N194N186-A189 PolarHBondContact O-N 3.36Å; N186-A189 VanDerWaalsContact O-N 3.16Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 2.78Å; A189-A193 WeakPolarHBondContact O-CA 3.48Å; A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 3.45Å; A189-N194 PolarHBondContact O-ND2 3.32Å
190L92.8Very high91.4Very high18 Ų1844.1 Ų44.19%0.09426%0.255CS..Hα-helixtrans-53.7-51.6178.3-172.567.8000110.7N186 N194 F197 L372 I374N186-L190 VanDerWaalsContact O-CB 3.26Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3Å; L190-N194 WeakPolarHBondContact CA-ND2 3.49Å; L190-N194 WeakPolarHBondContact O-CB 3.39Å; L190-N194 PolarHBondContact O-ND2 2.87Å; L190-F197 HydrophobicContact CD1-CD2 3.81Å; L190-F197 HydrophobicContact CD1-CE2 3.37Å; L190-F197 HydrophobicContact CD1-CZ 4.18Å; L190-F197 HydrophobicContact CG-CD2 3.97Å; L190-F197 HydrophobicContact CG-CE2 3.96Å; L190-F197 VanDerWaalsContact O-CD2 3.32Å; L190-F197 WeakPolarHBondContact O-CD2 3.46Å; L190-L372 HydrophobicContact CD2-CD2 4.28Å; L190-I374 HydrophobicContact CD2-CD1 4.13Å; L190-I374 HydrophobicContact CD2-CG1 4.21Å
191R93.8Very high91.6Very high3 Ų344.2 Ų44.21%0.01126%0.255CS..Hα-helixtrans-77-36.6-173.6-66.9176.966.9-138.9-11.3113.9L187 A189 V198 W201 M246 I247 M249L187-R191 VanDerWaalsContact O-CB 3.25Å; L187-R191 WeakPolarHBondContact O-CB 3.22Å; L187-R191 WeakPolarHBondContact O-CG 3.27Å; L187-R191 PolarHBondContact O-N 3.22Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 2.78Å; R191-V198 WeakPolarHBondContact O-CG2 3.37Å; R191-W201 HydrophobicContact CG-CD2 4.31Å; R191-W201 HydrophobicContact CG-CH2 4.24Å; R191-W201 HydrophobicContact CG-CZ2 3.98Å; R191-W201 VanDerWaalsContact NH2-CD1 3.35Å; R191-M246 PolarHBondContact NH1-O 3.15Å; R191-I247 PolarHBondContact NE-O 3.04Å; R191-I247 PolarHBondContact NH1-O 3.49Å; R191-I247 PolarHBondContact NH2-O 3.01Å; R191-M249 VanDerWaalsContact NH1-CG 3.33Å; R191-M249 PolarHBondContact NH1-O 3.24Å; R191-M249 PolarHBondContact NH2-O 3.49Å
192F93.2Very high91.9Very high54 Ų5443.8 Ų43.824%0.23725%0.254CS..Hα-helixtrans-111.2-13.7-167.2-53.9-48.5000114.8L188 M249 P251L188-F192 HydrophobicContact CD2-CD2 4.09Å; L188-F192 HydrophobicContact CD2-CE2 3.75Å; L188-F192 WeakPolarHBondContact O-CB 3.18Å; L188-F192 WeakPolarHBondContact O-CD2 3.3Å; L188-F192 PolarHBondContact O-N 2.77Å; F192-M249 HydrophobicContact CE2-CE 4.01Å; F192-M249 HydrophobicContact CZ-CE 4.39Å; F192-M249 HydrophobicContact CZ-CG 4.46Å; F192-P251 HydrophobicContact CD1-CB 3.93Å; F192-P251 HydrophobicContact CD1-CG 3.82Å; F192-P251 HydrophobicContact CE1-CB 3.87Å; F192-P251 HydrophobicContact CE1-CG 3.58Å; F192-P251 HydrophobicContact CZ-CB 4.45Å; F192-P251 HydrophobicContact CZ-CG 4.47Å
193A94.4Very high92.4Very high80 Ų8043.1 Ų43.166%0.66125%0.252SS*.Hα-helixtrans-97.6-9.1174.300000113.6A189A189-A193 WeakPolarHBondContact O-CA 3.48Å; A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 3.45Å
194N93.9Very high92.8Very high65 Ų6551.3 Ų51.335%0.34828%0.283SS..  trans-116.3114.4-174.5-60.3-79.2000111.2A189 L190 L196 F197 V198A189-N194 PolarHBondContact O-ND2 3.32Å; L190-N194 WeakPolarHBondContact CA-ND2 3.49Å; L190-N194 WeakPolarHBondContact O-CB 3.39Å; L190-N194 PolarHBondContact O-ND2 2.87Å; N194-L196 PolarHBondContact O-N 2.91Å; N194-L196 VanDerWaalsContact O-N 3.15Å; N194-F197 HydrophobicContact CB-CD2 3.84Å; N194-F197 PolarHBondContact O-N 3.28Å; N194-V198 WeakPolarHBondContact O-CG2 3.39Å; N194-V198 PolarHBondContact O-N 3.47Å
195S92.2Very high93.2Very high89 Ų8952.8 Ų52.862%0.62229%0.292SS*.Hα-helixtrans-58.9-27.3178.659.30000113.6F197 N199S195-F197 VanDerWaalsContact C-N 3.27Å; S195-F197 PolarHBondContact O-N 3.25Å; S195-N199 PolarHBondContact O-ND2 3.27Å
196L90Very high93.7Very high125 Ų12550.9 Ų50.965%0.65428%0.282SS*.Hα-helixtrans-57.2-39.4172.1-71.2172000112N194 N200N194-L196 PolarHBondContact O-N 2.91Å; N194-L196 VanDerWaalsContact O-N 3.15Å; L196-N200 PolarHBondContact O-ND2 3.06Å
197F93.1Very high94Very high20 Ų2050.4 Ų50.49%0.08828%0.28CS..Hα-helixtrans-96.2-43.4-177.6-63-56.8000112.3L190 N194 S195 N199 N200 W201 L372 I384L190-F197 HydrophobicContact CD1-CD2 3.81Å; L190-F197 HydrophobicContact CD1-CE2 3.37Å; L190-F197 HydrophobicContact CD1-CZ 4.18Å; L190-F197 HydrophobicContact CG-CD2 3.97Å; L190-F197 HydrophobicContact CG-CE2 3.96Å; L190-F197 VanDerWaalsContact O-CD2 3.32Å; L190-F197 WeakPolarHBondContact O-CD2 3.46Å; N194-F197 HydrophobicContact CB-CD2 3.84Å; N194-F197 PolarHBondContact O-N 3.28Å; S195-F197 VanDerWaalsContact C-N 3.27Å; S195-F197 PolarHBondContact O-N 3.25Å; F197-N199 PolarHBondContact O-N 3.25Å; F197-N200 CarbonylContact O-C 3.59Å; F197-N200 PolarHBondContact O-N 2.9Å; F197-W201 HydrophobicContact CB-CE3 3.98Å; F197-W201 HydrophobicContact CB-CZ3 4.24Å; F197-W201 HydrophobicContact CD1-CE3 4.11Å; F197-W201 AromaticContact CD1-CZ3 3.78Å; F197-W201 HydrophobicContact CD1-CZ3 3.78Å; F197-W201 HydrophobicContact CE1-CZ3 4.47Å; F197-W201 HydrophobicContact CG-CE3 4.37Å; F197-W201 HydrophobicContact CG-CZ3 4.18Å; F197-W201 WeakPolarHBondContact O-CB 3.42Å; F197-W201 PolarHBondContact O-N 3.31Å; F197-L372 HydrophobicContact CD1-CD2 4.39Å; F197-L372 HydrophobicContact CE1-CD2 3.89Å; F197-L372 HydrophobicContact CZ-CD1 4.33Å; F197-L372 HydrophobicContact CZ-CD2 4.29Å; F197-I384 HydrophobicContact CE1-CD1 4.44Å; F197-I384 HydrophobicContact CZ-CD1 3.74Å
198V90.9Very high94.3Very high56 Ų5650.4 Ų50.434%0.33928%0.28SS..Hα-helixtrans-47.7-44.9-177.7171.50000112.5R191 N194R191-V198 WeakPolarHBondContact O-CG2 3.37Å; N194-V198 WeakPolarHBondContact O-CG2 3.39Å; N194-V198 PolarHBondContact O-N 3.47Å
199N88.9Confident94.6Very high101 Ų10148.8 Ų48.854%0.5427%0.271SS..THydrogen-bonded Turntrans-86.5-13.3-174.5-64.1-44.3000114.1S195 F197S195-N199 PolarHBondContact O-ND2 3.27Å; F197-N199 PolarHBondContact O-N 3.25Å
200N93.9Very high94.9Very high67 Ų6746.5 Ų46.536%0.35825%0.252SS..THydrogen-bonded Turntrans-120.126.1-174.2-60.3-62.5000112L196 F197 T205L196-N200 PolarHBondContact O-ND2 3.06Å; F197-N200 CarbonylContact O-C 3.59Å; F197-N200 PolarHBondContact O-N 2.9Å; N200-T205 WeakPolarHBondContact CA-OG1 3.37Å; N200-T205 HydrophobicContact CB-CG2 4.03Å; N200-T205 PolarHBondContact O-OG1 2.83Å
201W96.7Very high95.2Very high2 Ų245.7 Ų45.71%0.00825%0.248CC..  trans-111.254.7-177.4-149.3-85.9000112.9R191 F197 I206 I247 R327 W328 V350 L372R191-W201 HydrophobicContact CG-CD2 4.31Å; R191-W201 HydrophobicContact CG-CH2 4.24Å; R191-W201 HydrophobicContact CG-CZ2 3.98Å; R191-W201 VanDerWaalsContact NH2-CD1 3.35Å; F197-W201 HydrophobicContact CB-CE3 3.98Å; F197-W201 HydrophobicContact CB-CZ3 4.24Å; F197-W201 HydrophobicContact CD1-CE3 4.11Å; F197-W201 AromaticContact CD1-CZ3 3.78Å; F197-W201 HydrophobicContact CD1-CZ3 3.78Å; F197-W201 HydrophobicContact CE1-CZ3 4.47Å; F197-W201 HydrophobicContact CG-CE3 4.37Å; F197-W201 HydrophobicContact CG-CZ3 4.18Å; F197-W201 WeakPolarHBondContact O-CB 3.42Å; F197-W201 PolarHBondContact O-N 3.31Å; W201-I206 HydrophobicContact CD2-CD1 4.11Å; W201-I206 HydrophobicContact CG-CD1 4.13Å; W201-I247 HydrophobicContact CZ2-CD1 4.45Å; W201-I247 HydrophobicContact CZ2-CG2 4.2Å; W201-I247 PolarHBondContact NE1-O 3.29Å; W201-R327 WeakPolarHBondContact O-CD 3.46Å; W201-R327 PolarHBondContact O-NH1 3.18Å; W201-W328 AromaticContact CD1-CH2 3.64Å; W201-W328 AromaticContact CD1-CZ2 3.64Å; W201-W328 AromaticContact NE1-CH2 3.65Å; W201-W328 AromaticContact NE1-CZ2 3.74Å; W201-V350 HydrophobicContact CH2-CG2 4.02Å; W201-V350 HydrophobicContact CZ2-CG2 4.11Å; W201-L372 HydrophobicContact CH2-CD2 3.49Å; W201-L372 VanDerWaalsContact CH2-CD2 3.49Å; W201-L372 HydrophobicContact CZ3-CD2 3.54Å
202D97Very high95.4Very high16 Ų1645.6 Ų45.69%0.08625%0.248CC..SBendtrans-153.5-178.717963.842.9000112.4R204 T205 I206 R327D202-R204 PolarHBondContact O-N 3.23Å; D202-R204 VanDerWaalsContact O-N 3.09Å; D202-R204 WeakPolarHBondContact OD1-CA 3.4Å; D202-R204 WeakPolarHBondContact OD1-CB 3.25Å; D202-R204 WeakPolarHBondContact OD1-CG 3.49Å; D202-R204 IonicContact OD1-CZ 3.62Å; D202-R204 PolarHBondContact OD1-N 3.44Å; D202-R204 IonicContact OD1-NE 3.3Å; D202-R204 PolarHBondContact OD1-NE 2.98Å; D202-R204 VanDerWaalsContact OD1-NE 3.11Å; D202-R204 IonicContact OD1-NH2 3.38Å; D202-R204 IonicContact OD2-CZ 3.61Å; D202-R204 VanDerWaalsContact OD2-CZ 3.27Å; D202-R204 IonicContact OD2-NE 2.95Å; D202-R204 PolarHBondContact OD2-NE 3.43Å; D202-R204 IonicContact OD2-NH2 3.75Å; D202-R204 PolarHBondContact OD2-NH2 2.55Å; D202-T205 PolarHBondContact O-N 3.26Å; D202-T205 PolarHBondContact O-OG1 3.44Å; D202-I206 WeakPolarHBondContact O-CB 3.49Å; D202-I206 PolarHBondContact O-N 3.46Å; D202-R327 HydrophobicContact CB-CG 3.8Å
203N97Very high95.5Very high41 Ų4143.1 Ų43.122%0.21924%0.237CC..THydrogen-bonded Turntrans-64.1-6.3-178.965.613.5000115.9W326 R327 A329 V331 K353N203-W326 PolarHBondContact ND2-O 3.02Å; N203-W326 VanDerWaalsContact ND2-O 3.11Å; N203-R327 WeakPolarHBondContact CB-O 3.27Å; N203-R327 PolarHBondContact N-O 3.32Å; N203-A329 WeakPolarHBondContact CB-O 3.36Å; N203-A329 PolarHBondContact ND2-O 3.36Å; N203-A329 VanDerWaalsContact ND2-O 3.13Å; N203-V331 VanDerWaalsContact CA-CG2 3.47Å; N203-V331 HydrophobicContact CB-CG2 3.47Å; N203-V331 VanDerWaalsContact CB-CG2 3.47Å; N203-K353 VanDerWaalsContact O-CE 3.28Å; N203-K353 WeakPolarHBondContact O-CE 3.11Å; N203-K353 PolarHBondContact O-NZ 3.01Å
204R96.5Very high95.6Very high173 Ų17339.3 Ų39.365%0.65321%0.206SC*.THydrogen-bonded Turntrans-81.2-33.2174.3-57.7173.8-69.5172.8-0.4110.8D202D202-R204 PolarHBondContact O-N 3.23Å; D202-R204 VanDerWaalsContact O-N 3.09Å; D202-R204 WeakPolarHBondContact OD1-CA 3.4Å; D202-R204 WeakPolarHBondContact OD1-CB 3.25Å; D202-R204 WeakPolarHBondContact OD1-CG 3.49Å; D202-R204 IonicContact OD1-CZ 3.62Å; D202-R204 PolarHBondContact OD1-N 3.44Å; D202-R204 IonicContact OD1-NE 3.3Å; D202-R204 PolarHBondContact OD1-NE 2.98Å; D202-R204 VanDerWaalsContact OD1-NE 3.11Å; D202-R204 IonicContact OD1-NH2 3.38Å; D202-R204 IonicContact OD2-CZ 3.61Å; D202-R204 VanDerWaalsContact OD2-CZ 3.27Å; D202-R204 IonicContact OD2-NE 2.95Å; D202-R204 PolarHBondContact OD2-NE 3.43Å; D202-R204 IonicContact OD2-NH2 3.75Å; D202-R204 PolarHBondContact OD2-NH2 2.55Å
205T96.9Very high95.7Very high34 Ų3438.1 Ų38.121%0.20920%0.198CC..THydrogen-bonded Turntrans-113.1-33.2-173.247.90000113.6N200 D202 F352 K353N200-T205 WeakPolarHBondContact CA-OG1 3.37Å; N200-T205 HydrophobicContact CB-CG2 4.03Å; N200-T205 PolarHBondContact O-OG1 2.83Å; D202-T205 PolarHBondContact O-N 3.26Å; D202-T205 PolarHBondContact O-OG1 3.44Å; T205-F352 CarbonylContact O-C 3.6Å; T205-F352 WeakPolarHBondContact O-CA 3.49Å; T205-K353 PolarHBondContact O-N 3.49Å
206I98.1Very high95.8Very high0 Ų036.3 Ų36.30%018%0.18CC..EExtended strand (participates in β ladder)trans-87.5131.9178.8-63.1174.4000109W201 D202 V209 W328 V331 V350 F352 K353W201-I206 HydrophobicContact CD2-CD1 4.11Å; W201-I206 HydrophobicContact CG-CD1 4.13Å; D202-I206 WeakPolarHBondContact O-CB 3.49Å; D202-I206 PolarHBondContact O-N 3.46Å; I206-V209 HydrophobicContact CG2-CG2 4Å; I206-W328 HydrophobicContact CB-CZ3 4.35Å; I206-W328 HydrophobicContact CD1-CH2 3.65Å; I206-W328 HydrophobicContact CD1-CZ3 3.72Å; I206-W328 HydrophobicContact CG2-CZ3 4.2Å; I206-V331 HydrophobicContact CG2-CG1 3.89Å; I206-V350 HydrophobicContact CB-CG1 4.49Å; I206-V350 HydrophobicContact CD1-CG1 3.72Å; I206-V350 HydrophobicContact CG1-CG1 3.8Å; I206-V350 HydrophobicContact CG2-CG1 3.91Å; I206-F352 HydrophobicContact CG1-CD1 4.27Å; I206-F352 HydrophobicContact CG1-CE1 4.15Å; I206-K353 VanDerWaalsContact O-CE 3.24Å; I206-K353 WeakPolarHBondContact O-CE 3.39Å
207D98.1Very high95.9Very high31 Ų3132.7 Ų32.717%0.16616%0.163CC..EExtended strand (participates in β ladder)trans-87.1-51.6173.6177.158.4000111.5Y351 K353 Q369 R485D207-Y351 PolarHBondContact N-O 3.02Å; D207-K353 HydrophobicContact CB-CG 3.83Å; D207-Q369 PolarHBondContact OD2-NE2 3.2Å; D207-R485 PolarHBondContact O-NH2 3.33Å; D207-R485 IonicContact OD1-CZ 3.64Å; D207-R485 IonicContact OD1-NE 3.87Å; D207-R485 IonicContact OD1-NH2 4Å; D207-R485 PolarHBondContact OD1-NH2 2.84Å; D207-R485 IonicContact OD2-CZ 3.88Å; D207-R485 IonicContact OD2-NE 2.67Å; D207-R485 PolarHBondContact OD2-NE 3.48Å; D207-R485 IonicContact OD2-NH2 3.27Å
208H98.7Very high95.9Very high2 Ų231.8 Ų31.81%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-157.9165.8176.266.3-78.5000111.3E210 P332 Y334 Y351 R485H208-E210 IonicContact CD2-OE1 3.06Å; H208-E210 IonicContact NE2-OE1 3.11Å; H208-P332 WeakPolarHBondContact CA-O 3.36Å; H208-P332 HydrophobicContact CB-CG 3.91Å; H208-P332 WeakPolarHBondContact CB-O 3.25Å; H208-Y334 HydrophobicContact CB-CD2 4.38Å; H208-Y334 HydrophobicContact CB-CE2 4.09Å; H208-Y351 AromaticContact CD2-CD2 3.79Å; H208-Y351 WeakPolarHBondContact CE1-CB 3.31Å; H208-Y351 AromaticContact CE1-CD1 3.97Å; H208-Y351 AromaticContact CE1-CD2 3.44Å; H208-Y351 VanDerWaalsContact CE1-CD2 3.44Å; H208-Y351 WeakPolarHBondContact CE1-CD2 3.23Å; H208-Y351 AromaticContact CE1-CG 3.32Å; H208-Y351 PolarHBondContact N-O 3.2Å; H208-Y351 AromaticContact ND1-CG 3.99Å; H208-Y351 AromaticContact NE2-CD2 3.13Å; H208-Y351 WeakPolarHBondContact NE2-CD2 3.5Å; H208-Y351 AromaticContact NE2-CE2 3.61Å; H208-Y351 AromaticContact NE2-CG 3.57Å; H208-Y351 PolarHBondContact O-N 3.48Å; H208-R485 WeakPolarHBondContact ND1-CD 3.36Å; H208-R485 PolarHBondContact ND1-NE 3.37Å
209V98.7Very high95.9Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-125.3137.2175.3-179.60000108.9I206 I211 I247 W328 P332 F333 Y334 V348 V349 V350I206-V209 HydrophobicContact CG2-CG2 4Å; V209-I211 HydrophobicContact CG1-CG1 4.3Å; V209-I247 HydrophobicContact CG1-CG2 4.25Å; V209-W328 HydrophobicContact CG2-CZ3 4.4Å; V209-P332 PolarHBondContact N-O 2.94Å; V209-P332 VanDerWaalsContact N-O 3.14Å; V209-F333 HydrophobicContact CB-CD1 3.61Å; V209-F333 HydrophobicContact CB-CE1 3.68Å; V209-F333 HydrophobicContact CB-CG 4.12Å; V209-F333 HydrophobicContact CB-CZ 4.23Å; V209-F333 HydrophobicContact CG1-CD1 3.8Å; V209-F333 HydrophobicContact CG1-CE1 3.81Å; V209-F333 HydrophobicContact CG2-CD1 4.16Å; V209-F333 HydrophobicContact CG2-CE1 3.72Å; V209-F333 HydrophobicContact CG2-CE2 4.39Å; V209-F333 HydrophobicContact CG2-CZ 3.84Å; V209-F333 CarbonylContact O-C 3.54Å; V209-F333 WeakPolarHBondContact O-CA 3.4Å; V209-Y334 PolarHBondContact O-N 2.94Å; V209-V348 HydrophobicContact CG1-CG1 3.99Å; V209-V349 CarbonylContact C-O 3.46Å; V209-V349 WeakPolarHBondContact CA-O 3.31Å; V209-V350 HydrophobicContact CG1-CG2 4.35Å; V209-V350 HydrophobicContact CG2-CG1 4.37Å; V209-V350 HydrophobicContact CG2-CG2 4.29Å
210E98.6Very high95.8Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-114.9136.9171.2-51.1-168.9165.100110.1H208 Y334 V348 V349 Y351 I480 S486 W487 N488H208-E210 IonicContact CD2-OE1 3.06Å; H208-E210 IonicContact NE2-OE1 3.11Å; E210-Y334 CarbonylContact C-O 3.59Å; E210-Y334 WeakPolarHBondContact CA-O 3.28Å; E210-V348 CarbonylContact O-C 3.29Å; E210-V348 WeakPolarHBondContact O-CA 3.5Å; E210-V349 HydrophobicContact CB-CB 4.24Å; E210-V349 PolarHBondContact N-O 3.09Å; E210-V349 PolarHBondContact O-N 2.82Å; E210-Y351 HydrophobicContact CG-CE2 4.3Å; E210-I480 WeakPolarHBondContact OE1-CD1 3.41Å; E210-S486 VanDerWaalsContact OE1-O 3.12Å; E210-W487 HydrophobicContact CB-CE3 4.46Å; E210-W487 HydrophobicContact CB-CZ3 4.22Å; E210-W487 HydrophobicContact CG-CE3 4.39Å; E210-W487 HydrophobicContact CG-CZ3 4.4Å; E210-W487 WeakPolarHBondContact OE1-CA 3.34Å; E210-N488 WeakPolarHBondContact OE2-CB 3.47Å; E210-N488 PolarHBondContact OE2-N 3.15Å
211I98.3Very high95.3Very high1 Ų130.8 Ų30.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-126.3107.1173-56.6174000106.5V209 L240 I243 L244 Y334 L335 R336 E347 V348V209-I211 HydrophobicContact CG1-CG1 4.3Å; I211-L240 HydrophobicContact CG2-CD2 4.18Å; I211-L240 HydrophobicContact CG2-CG 4.24Å; I211-I243 HydrophobicContact CD1-CG2 4.02Å; I211-I243 HydrophobicContact CG1-CG2 4.43Å; I211-I243 HydrophobicContact CG2-CB 4.34Å; I211-I243 HydrophobicContact CG2-CD1 4.33Å; I211-I243 HydrophobicContact CG2-CG2 3.97Å; I211-L244 HydrophobicContact CD1-CB 3.85Å; I211-Y334 PolarHBondContact N-O 3.11Å; I211-L335 HydrophobicContact CB-CD2 3.7Å; I211-L335 HydrophobicContact CD1-CD2 3.73Å; I211-L335 HydrophobicContact CG1-CD2 4.06Å; I211-L335 HydrophobicContact CG2-CD2 4.4Å; I211-L335 WeakPolarHBondContact O-CA 3.29Å; I211-R336 PolarHBondContact O-N 2.85Å; I211-E347 WeakPolarHBondContact CA-O 3.37Å; I211-V348 HydrophobicContact CG1-CG1 4.21Å; I211-V348 HydrophobicContact CG1-CG2 4.21Å; I211-V348 HydrophobicContact CG2-CG2 4.43Å
212T97.8Very high94.8Very high1 Ų137 Ų371%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-107.6132.1178.5-63.50000109.8A214 R336 S346 E347 W471 F490T212-A214 HydrophobicContact CG2-CB 4.3Å; T212-R336 CarbonylContact C-O 3.39Å; T212-R336 VanDerWaalsContact CA-O 3.3Å; T212-R336 WeakPolarHBondContact CA-O 3.4Å; T212-R336 PolarHBondContact OG1-NE 2.64Å; T212-R336 PolarHBondContact OG1-NH2 2.88Å; T212-S346 CarbonylContact O-C 3.56Å; T212-S346 VanDerWaalsContact O-CA 3.23Å; T212-S346 WeakPolarHBondContact O-CA 3.49Å; T212-E347 PolarHBondContact N-O 2.97Å; T212-E347 PolarHBondContact O-N 2.89Å; T212-W471 HydrophobicContact CG2-CZ3 4.4Å; T212-F490 HydrophobicContact CG2-CE2 4.1Å; T212-F490 HydrophobicContact CG2-CZ 3.73Å
213V97Very high94.5Very high1 Ų137 Ų371%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-131.797.8168.9-1770000109Y178 M235 L240 I243 R336 T337 G338 C345Y178-V213 HydrophobicContact CE1-CG1 4.37Å; Y178-V213 HydrophobicContact CE1-CG2 4.41Å; Y178-V213 WeakPolarHBondContact OH-CG1 3.46Å; V213-M235 HydrophobicContact CB-CE 4.19Å; V213-M235 HydrophobicContact CG1-CE 3.24Å; V213-L240 HydrophobicContact CB-CD1 3.96Å; V213-L240 HydrophobicContact CB-CG 4.46Å; V213-L240 HydrophobicContact CG2-CD1 3.74Å; V213-L240 HydrophobicContact CG2-CD2 4.25Å; V213-L240 HydrophobicContact CG2-CG 3.85Å; V213-I243 HydrophobicContact CG2-CD1 4.43Å; V213-R336 PolarHBondContact N-O 3.09Å; V213-T337 WeakPolarHBondContact O-CA 3.16Å; V213-T337 WeakPolarHBondContact O-CB 3.49Å; V213-T337 PolarHBondContact O-OG1 3.18Å; V213-G338 PolarHBondContact O-N 3.46Å; V213-C345 CarbonylContact C-O 3.3Å; V213-C345 WeakPolarHBondContact CA-O 3.35Å
214A96.3Very high94.1Very high1 Ų137.4 Ų37.41%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-105.7139.6-175.300000112.7T212 L341 T343 K344 C345 W471T212-A214 HydrophobicContact CG2-CB 4.3Å; A214-L341 HydrophobicContact CB-CB 3.99Å; A214-L341 HydrophobicContact CB-CD1 3.5Å; A214-L341 HydrophobicContact CB-CG 4.34Å; A214-T343 WeakPolarHBondContact CB-O 3.25Å; A214-K344 WeakPolarHBondContact O-CA 3.41Å; A214-C345 PolarHBondContact N-O 2.65Å; A214-C345 PolarHBondContact O-N 2.86Å; A214-C345 VanDerWaalsContact O-N 3.16Å; A214-W471 HydrophobicContact CB-CH2 4.31Å; A214-W471 HydrophobicContact CB-CZ3 3.82Å
215E95.6Very high93.7Very high39 Ų3934.9 Ų34.918%0.18219%0.192CC..  trans-120.8130.6175.8-63.8173.691.200110.5V217 Q231 G338 K339 R340 L341E215-V217 VanDerWaalsContact C-N 3.34Å; E215-V217 HydrophobicContact CB-CG2 4.19Å; E215-Q231 PolarHBondContact OE2-NE2 3.2Å; E215-G338 PolarHBondContact N-O 3.42Å; E215-K339 HydrophobicContact CB-CG 4.4Å; E215-K339 CarbonylContact O-C 3.54Å; E215-K339 IonicContact OE1-NZ 3.94Å; E215-K339 PolarHBondContact OE1-NZ 3.37Å; E215-K339 WeakPolarHBondContact OE2-CG 3.32Å; E215-K339 IonicContact OE2-NZ 2.77Å; E215-K339 PolarHBondContact OE2-NZ 2.8Å; E215-R340 PolarHBondContact O-N 2.72Å; E215-L341 PolarHBondContact O-N 3.19Å
216E93.4Very high93.5Very high52 Ų5233.6 Ų33.624%0.24318%0.183CC..SBendtrans-74.6-28.4173.7-67.8168.6-170.700112.4Q294 T343 K344E216-Q294 PolarHBondContact OE2-NE2 2.91Å; E216-T343 WeakPolarHBondContact OE1-CA 3.41Å; E216-K344 VanDerWaalsContact CD-N 3.3Å; E216-K344 HydrophobicContact CG-CB 4.02Å; E216-K344 PolarHBondContact OE1-N 2.99Å
217V93.3Very high93.3Very high49 Ų4935.2 Ų35.230%0.29719%0.192SC..  trans-73.1151.9-177.2-65.20000111.3E215 K339 R340E215-V217 VanDerWaalsContact C-N 3.34Å; E215-V217 HydrophobicContact CB-CG2 4.19Å; V217-K339 WeakPolarHBondContact O-CB 3.4Å; V217-R340 PolarHBondContact O-N 2.67Å
218G92.6Very high93Very high0 Ų041.5 Ų41.50%022%0.218CC..  trans-86.5-142.8169.400000111.2
219I91.3Very high92.7Very high3 Ų341.8 Ų41.82%0.01522%0.221CC..  trans-88.4-26.9179.7-52.7-56.6000113.2G221 R222 W223 F226 Y288 Y301 E304 K339I219-G221 PolarHBondContact O-N 3.13Å; I219-R222 HydrophobicContact CG2-CB 3.97Å; I219-R222 WeakPolarHBondContact O-CB 3.45Å; I219-R222 PolarHBondContact O-N 3.38Å; I219-R222 PolarHBondContact O-NE 3.36Å; I219-W223 HydrophobicContact CG2-CB 4.3Å; I219-W223 VanDerWaalsContact CG2-N 3.34Å; I219-F226 HydrophobicContact CD1-CB 4.04Å; I219-F226 HydrophobicContact CD1-CD1 3.36Å; I219-F226 HydrophobicContact CD1-CD2 3.98Å; I219-F226 HydrophobicContact CD1-CE1 3.73Å; I219-F226 HydrophobicContact CD1-CE2 4.32Å; I219-F226 HydrophobicContact CD1-CG 3.49Å; I219-F226 VanDerWaalsContact CD1-CG 3.49Å; I219-F226 HydrophobicContact CD1-CZ 4.18Å; I219-F226 HydrophobicContact CG1-CD1 4.35Å; I219-F226 HydrophobicContact CG2-CB 3.9Å; I219-F226 HydrophobicContact CG2-CG 4.49Å; I219-Y288 WeakPolarHBondContact CG1-OH 3.34Å; I219-Y301 HydrophobicContact CD1-CD2 4.19Å; I219-Y301 HydrophobicContact CD1-CE2 3.93Å; I219-Y301 HydrophobicContact CG1-CD2 3.72Å; I219-Y301 HydrophobicContact CG1-CE2 3.64Å; I219-E304 WeakPolarHBondContact CB-OE2 3.48Å; I219-K339 HydrophobicContact CD1-CD 3.58Å
220E86.2Confident92.5Very high127 Ų12741.8 Ų41.859%0.59322%0.221SC*.THydrogen-bonded Turntrans5651.7171.7-56-173.5123.900112.7R222E220-R222 PolarHBondContact O-N 3.1Å
221G82.6Confident92.4Very high73 Ų7341.8 Ų41.875%0.75322%0.221SC*.THydrogen-bonded Turntrans79.5-2.1176.700000115.1I219 W223I219-G221 PolarHBondContact O-N 3.13Å; G221-W223 PolarHBondContact O-N 3.01Å
222R86.1Confident92.3Very high134 Ų13441.8 Ų41.851%0.50622%0.221SC..  trans-90.625177.5-61.3179.2-71.6173.3-4.4113.5I219 E220 G224 Y225 F226I219-R222 HydrophobicContact CG2-CB 3.97Å; I219-R222 WeakPolarHBondContact O-CB 3.45Å; I219-R222 PolarHBondContact O-N 3.38Å; I219-R222 PolarHBondContact O-NE 3.36Å; E220-R222 PolarHBondContact O-N 3.1Å; R222-G224 PolarHBondContact O-N 3Å; R222-Y225 PolarHBondContact O-N 2.65Å; R222-F226 PolarHBondContact O-N 3.38Å
223W91.7Very high92.2Very high15 Ų1545 Ų456%0.05723%0.233CC..Hα-helixtrans-57.8-50-168.2-161.598.2000112.3I219 G221 Y225 F226 D227 Y301 A307 N308I219-W223 HydrophobicContact CG2-CB 4.3Å; I219-W223 VanDerWaalsContact CG2-N 3.34Å; G221-W223 PolarHBondContact O-N 3.01Å; W223-Y225 VanDerWaalsContact C-N 3.27Å; W223-Y225 PolarHBondContact O-N 2.89Å; W223-F226 PolarHBondContact O-N 2.96Å; W223-D227 HydrophobicContact CD2-CB 4.31Å; W223-D227 HydrophobicContact CE3-CB 3.86Å; W223-D227 HydrophobicContact CH2-CB 3.5Å; W223-D227 VanDerWaalsContact CH2-CB 3.5Å; W223-D227 VanDerWaalsContact CH2-OD1 3.29Å; W223-D227 WeakPolarHBondContact CH2-OD1 3.34Å; W223-D227 WeakPolarHBondContact CH2-OD2 3.36Å; W223-D227 HydrophobicContact CZ2-CB 4.11Å; W223-D227 HydrophobicContact CZ3-CB 3.41Å; W223-D227 VanDerWaalsContact CZ3-CB 3.41Å; W223-D227 VanDerWaalsContact CZ3-OD2 3.27Å; W223-D227 WeakPolarHBondContact CZ3-OD2 3.45Å; W223-D227 VanDerWaalsContact O-CB 3.31Å; W223-D227 WeakPolarHBondContact O-CB 3.45Å; W223-D227 PolarHBondContact O-N 3.3Å; W223-Y301 AromaticContact CD1-CE2 3.97Å; W223-Y301 AromaticContact CE2-CZ 3.73Å; W223-Y301 AromaticContact CZ2-CE1 3.75Å; W223-Y301 HydrophobicContact CZ2-CE1 3.75Å; W223-Y301 AromaticContact CZ2-CZ 3.81Å; W223-Y301 AromaticContact NE1-CD2 3.91Å; W223-Y301 AromaticContact NE1-CE1 3.83Å; W223-Y301 AromaticContact NE1-CE2 3.54Å; W223-Y301 AromaticContact NE1-CZ 3.49Å; W223-Y301 PolarHBondContact NE1-O 3.18Å; W223-Y301 VanDerWaalsContact NE1-O 3.1Å; W223-A307 HydrophobicContact CD2-CB 4.09Å; W223-A307 VanDerWaalsContact CE2-CA 3.47Å; W223-A307 HydrophobicContact CG-CB 4.34Å; W223-A307 HydrophobicContact CZ2-CB 3.97Å; W223-N308 HydrophobicContact CH2-CB 3.4Å; W223-N308 VanDerWaalsContact CH2-CB 3.4Å; W223-N308 HydrophobicContact CZ2-CB 4.26Å; W223-N308 VanDerWaalsContact CZ2-N 3.34Å; W223-N308 HydrophobicContact CZ3-CB 3.78Å
224G89.1Confident92.1Very high49 Ų4946.2 Ų46.251%0.50524%0.24SC..Hα-helixtrans-64.9-24-178.100000115.4R222R222-G224 PolarHBondContact O-N 3Å
225Y87.2Confident92.1Very high121 Ų12146.7 Ų46.748%0.47524%0.242SC..Hα-helixtrans-80.8-51171.2168.8-96000110.4P148 R222 W223 D227 K228 A229P148-Y225 HydrophobicContact CG-CE2 4.48Å; R222-Y225 PolarHBondContact O-N 2.65Å; W223-Y225 VanDerWaalsContact C-N 3.27Å; W223-Y225 PolarHBondContact O-N 2.89Å; Y225-D227 VanDerWaalsContact C-N 3.3Å; Y225-D227 PolarHBondContact O-N 2.69Å; Y225-K228 PolarHBondContact O-N 2.87Å; Y225-K228 VanDerWaalsContact O-N 3.14Å; Y225-A229 PolarHBondContact O-N 3.26Å
226F92.9Very high92.2Very high6 Ų644.8 Ų44.83%0.02623%0.233CC..Hα-helixtrans-63.9-36.4-174.8-171.2-91000112.3I219 R222 W223 K228 A229 G230 Q231 D234 Y301 T313 T315 K339I219-F226 HydrophobicContact CD1-CB 4.04Å; I219-F226 HydrophobicContact CD1-CD1 3.36Å; I219-F226 HydrophobicContact CD1-CD2 3.98Å; I219-F226 HydrophobicContact CD1-CE1 3.73Å; I219-F226 HydrophobicContact CD1-CE2 4.32Å; I219-F226 HydrophobicContact CD1-CG 3.49Å; I219-F226 VanDerWaalsContact CD1-CG 3.49Å; I219-F226 HydrophobicContact CD1-CZ 4.18Å; I219-F226 HydrophobicContact CG1-CD1 4.35Å; I219-F226 HydrophobicContact CG2-CB 3.9Å; I219-F226 HydrophobicContact CG2-CG 4.49Å; R222-F226 PolarHBondContact O-N 3.38Å; W223-F226 PolarHBondContact O-N 2.96Å; F226-K228 PolarHBondContact O-N 2.89Å; F226-K228 VanDerWaalsContact O-N 3.12Å; F226-A229 PolarHBondContact O-N 3.23Å; F226-G230 PolarHBondContact O-N 3.06Å; F226-Q231 HydrophobicContact CZ-CB 4.4Å; F226-D234 HydrophobicContact CE2-CB 4.16Å; F226-Y301 AromaticContact CD1-CE2 3.86Å; F226-Y301 HydrophobicContact CD1-CE2 3.86Å; F226-Y301 HydrophobicContact CE1-CE2 4.27Å; F226-T313 HydrophobicContact CD1-CG2 4.38Å; F226-T313 HydrophobicContact CE1-CG2 4.25Å; F226-T315 HydrophobicContact CE1-CG2 4.06Å; F226-K339 HydrophobicContact CE2-CD 4.04Å; F226-K339 HydrophobicContact CZ-CD 4.11Å
227D94.6Very high92.3Very high35 Ų3543 Ų4319%0.18723%0.225CC..Hα-helixtrans-60.7-22178.1-168.550.6000113.8W223 Y225 Y301 S311 T313W223-D227 HydrophobicContact CD2-CB 4.31Å; W223-D227 HydrophobicContact CE3-CB 3.86Å; W223-D227 HydrophobicContact CH2-CB 3.5Å; W223-D227 VanDerWaalsContact CH2-CB 3.5Å; W223-D227 VanDerWaalsContact CH2-OD1 3.29Å; W223-D227 WeakPolarHBondContact CH2-OD1 3.34Å; W223-D227 WeakPolarHBondContact CH2-OD2 3.36Å; W223-D227 HydrophobicContact CZ2-CB 4.11Å; W223-D227 HydrophobicContact CZ3-CB 3.41Å; W223-D227 VanDerWaalsContact CZ3-CB 3.41Å; W223-D227 VanDerWaalsContact CZ3-OD2 3.27Å; W223-D227 WeakPolarHBondContact CZ3-OD2 3.45Å; W223-D227 VanDerWaalsContact O-CB 3.31Å; W223-D227 WeakPolarHBondContact O-CB 3.45Å; W223-D227 PolarHBondContact O-N 3.3Å; Y225-D227 VanDerWaalsContact C-N 3.3Å; Y225-D227 PolarHBondContact O-N 2.69Å; D227-Y301 WeakPolarHBondContact CA-OH 3.36Å; D227-Y301 WeakPolarHBondContact CB-OH 3.39Å; D227-Y301 PolarHBondContact OD1-OH 3.07Å; D227-Y301 VanDerWaalsContact OD1-OH 3.09Å; D227-S311 VanDerWaalsContact OD1-CB 3.25Å; D227-S311 WeakPolarHBondContact OD1-CB 3.31Å; D227-S311 PolarHBondContact OD1-OG 2.93Å; D227-T313 PolarHBondContact O-OG1 3.01Å; D227-T313 WeakPolarHBondContact OD1-CB 3.44Å; D227-T313 PolarHBondContact OD1-OG1 3.36Å
228K90.7Very high92.4Very high162 Ų16241.4 Ų41.470%0.70421%0.214SC*.Hα-helixtrans-90.5-25.6174.6-62.7179.4-178.2-178.20112.7Y225 F226Y225-K228 PolarHBondContact O-N 2.87Å; Y225-K228 VanDerWaalsContact O-N 3.14Å; F226-K228 PolarHBondContact O-N 2.89Å; F226-K228 VanDerWaalsContact O-N 3.12Å
229A92.3Very high92.5Very high8 Ų841.5 Ų41.57%0.06622%0.215CC..Hα-helixtrans-86.8-57-177.600000111.1Y225 F226 R233Y225-A229 PolarHBondContact O-N 3.26Å; F226-A229 PolarHBondContact O-N 3.23Å; A229-R233 HydrophobicContact CB-CB 4.45Å; A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.29Å; A229-R233 WeakPolarHBondContact O-CD 3.4Å; A229-R233 VanDerWaalsContact O-CG 3.26Å; A229-R233 WeakPolarHBondContact O-CG 3.47Å; A229-R233 PolarHBondContact O-NH1 3.14Å
230G95.2Very high92.8Very high1 Ų141.3 Ų41.31%0.0121%0.214CC..Hα-helixtrans67.9168-165.900000112.7F226 M232 R233 D234 T313 E314F226-G230 PolarHBondContact O-N 3.06Å; G230-M232 PolarHBondContact O-N 3.38Å; G230-R233 PolarHBondContact O-N 2.85Å; G230-D234 VanDerWaalsContact O-CB 3.29Å; G230-D234 WeakPolarHBondContact O-CB 3.48Å; G230-D234 PolarHBondContact O-N 3.28Å; G230-T313 VanDerWaalsContact CA-CG2 3.47Å; G230-E314 VanDerWaalsContact CA-OE1 3.3Å; G230-E314 WeakPolarHBondContact CA-OE1 3.35Å
231Q96.1Very high93.3Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-64.4-27.1-179.9-160.771.58.700112.3E215 F226 M235 I236 E314 V317 T337E215-Q231 PolarHBondContact OE2-NE2 3.2Å; F226-Q231 HydrophobicContact CZ-CB 4.4Å; Q231-M235 HydrophobicContact CG-CB 4.48Å; Q231-M235 PolarHBondContact O-N 3.3Å; Q231-I236 PolarHBondContact O-N 3.01Å; Q231-E314 HydrophobicContact CB-CG 4.28Å; Q231-E314 PolarHBondContact N-O 3.37Å; Q231-E314 PolarHBondContact N-OE1 3.05Å; Q231-E314 VanDerWaalsContact N-OE1 3.15Å; Q231-V317 HydrophobicContact CB-CG2 4.07Å; Q231-T337 HydrophobicContact CG-CG2 3.63Å; Q231-T337 PolarHBondContact NE2-OG1 3.41Å
232M96.8Very high94Very high0 Ų032 Ų320%015%0.151CC..Iπ-helixtrans-61.7-46.6177.7-172.467.6-171.900111.9G230 I236 Q237 E314 V317 I319 W448 V449 I452 T453 W456G230-M232 PolarHBondContact O-N 3.38Å; M232-I236 HydrophobicContact CE-CB 4.37Å; M232-I236 HydrophobicContact CE-CG2 3.76Å; M232-I236 WeakPolarHBondContact O-CB 3.39Å; M232-I236 PolarHBondContact O-N 2.71Å; M232-I236 HydrophobicContact SD-CB 3.81Å; M232-I236 HydrophobicContact SD-CG1 4Å; M232-I236 HydrophobicContact SD-CG2 3.78Å; M232-Q237 PolarHBondContact O-N 3.27Å; M232-E314 VanDerWaalsContact CB-OE1 3.26Å; M232-E314 WeakPolarHBondContact CB-OE1 3.29Å; M232-E314 PolarHBondContact N-OE1 3.43Å; M232-V317 HydrophobicContact SD-CG1 4.36Å; M232-I319 HydrophobicContact CE-CD1 4.08Å; M232-I319 HydrophobicContact SD-CD1 3.92Å; M232-W448 HydrophobicContact CE-CZ3 4.38Å; M232-V449 HydrophobicContact CE-CB 3.85Å; M232-V449 HydrophobicContact CE-CG1 3.64Å; M232-V449 HydrophobicContact CE-CG2 3.57Å; M232-V449 HydrophobicContact CG-CG1 3.9Å; M232-I452 HydrophobicContact CE-CB 4.13Å; M232-I452 HydrophobicContact CE-CD1 3.62Å; M232-I452 HydrophobicContact CE-CG1 4.47Å; M232-I452 HydrophobicContact CE-CG2 4.19Å; M232-T453 HydrophobicContact CG-CG2 3.84Å; M232-W456 HydrophobicContact CB-CH2 4.27Å; M232-W456 HydrophobicContact CB-CZ3 3.87Å; M232-W456 HydrophobicContact CG-CH2 4.24Å; M232-W456 HydrophobicContact CG-CZ3 3.94Å; M232-W456 HydrophobicContact SD-CH2 3.87Å; M232-W456 HydrophobicContact SD-CZ3 4.17Å
233R95.7Very high94.5Very high69 Ų6925.6 Ų25.626%0.2613%0.127SC..Iπ-helixtrans-82.3-34.1179.3-58.7-177.1-177.785.50.9112.2T151 A229 G230 N238 W446T151-R233 WeakPolarHBondContact O-CD 3.23Å; T151-R233 PolarHBondContact O-NE 2.91Å; A229-R233 HydrophobicContact CB-CB 4.45Å; A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.29Å; A229-R233 WeakPolarHBondContact O-CD 3.4Å; A229-R233 VanDerWaalsContact O-CG 3.26Å; A229-R233 WeakPolarHBondContact O-CG 3.47Å; A229-R233 PolarHBondContact O-NH1 3.14Å; G230-R233 PolarHBondContact O-N 2.85Å; R233-N238 PolarHBondContact O-ND2 3.4Å; R233-W446 HydrophobicContact CB-CH2 4.34Å; R233-W446 HydrophobicContact CG-CH2 4.02Å; R233-W446 HydrophobicContact CG-CZ3 4.16Å
234D94.3Very high94.8Very high27 Ų2724.9 Ų24.914%0.14412%0.124CC..Iπ-helixtrans-68.4-40.7-176.5-167.537.3000112.1K147 F226 G230 N238 K339K147-D234 PolarHBondContact NZ-O 3.47Å; F226-D234 HydrophobicContact CE2-CB 4.16Å; G230-D234 VanDerWaalsContact O-CB 3.29Å; G230-D234 WeakPolarHBondContact O-CB 3.48Å; G230-D234 PolarHBondContact O-N 3.28Å; D234-N238 PolarHBondContact O-ND2 2.77Å; D234-N238 PolarHBondContact O-OD1 2.98Å; D234-K339 IonicContact OD2-NZ 3.68Å; D234-K339 PolarHBondContact OD2-NZ 2.93Å
235M96.1Very high95.2Very high10 Ų1022.6 Ų22.65%0.04910%0.1CC..Iπ-helixtrans-126.1-42.2-169.5-63.4-59.2-7100115Y178 V213 Q231 N238 H239 L240 T337Y178-M235 HydrophobicContact CE2-CE 4.46Å; V213-M235 HydrophobicContact CB-CE 4.19Å; V213-M235 HydrophobicContact CG1-CE 3.24Å; Q231-M235 HydrophobicContact CG-CB 4.48Å; Q231-M235 PolarHBondContact O-N 3.3Å; M235-N238 PolarHBondContact O-OD1 3.28Å; M235-H239 PolarHBondContact O-N 3.31Å; M235-L240 HydrophobicContact CB-CD1 3.97Å; M235-L240 WeakPolarHBondContact O-CD1 3.46Å; M235-L240 PolarHBondContact O-N 2.86Å; M235-L240 VanDerWaalsContact O-N 3.12Å; M235-T337 HydrophobicContact CB-CG2 4.03Å
236I97.5Very high95.6Very high0 Ų017.3 Ų17.30%08%0.08CC..Iπ-helixtrans-70.2-54.2-176.4-63.6-67.1000110.9Q231 M232 N238 L240 L241 V317 I319 L335 T337 W448Q231-I236 PolarHBondContact O-N 3.01Å; M232-I236 HydrophobicContact CE-CB 4.37Å; M232-I236 HydrophobicContact CE-CG2 3.76Å; M232-I236 WeakPolarHBondContact O-CB 3.39Å; M232-I236 PolarHBondContact O-N 2.71Å; M232-I236 HydrophobicContact SD-CB 3.81Å; M232-I236 HydrophobicContact SD-CG1 4Å; M232-I236 HydrophobicContact SD-CG2 3.78Å; I236-N238 PolarHBondContact O-N 3.41Å; I236-L240 HydrophobicContact CD1-CB 4.18Å; I236-L240 HydrophobicContact CD1-CD1 4.31Å; I236-L240 HydrophobicContact CD1-CD2 3.81Å; I236-L240 HydrophobicContact CD1-CG 4.31Å; I236-L241 WeakPolarHBondContact O-CG 3.4Å; I236-L241 PolarHBondContact O-N 2.91Å; I236-V317 HydrophobicContact CD1-CG1 4.4Å; I236-V317 HydrophobicContact CG1-CB 4.33Å; I236-V317 HydrophobicContact CG1-CG1 4.05Å; I236-I319 HydrophobicContact CD1-CD1 4.36Å; I236-I319 HydrophobicContact CG1-CD1 4.34Å; I236-I319 HydrophobicContact CG2-CD1 3.98Å; I236-L335 HydrophobicContact CD1-CB 4.14Å; I236-L335 HydrophobicContact CD1-CD1 4.35Å; I236-T337 HydrophobicContact CD1-CG2 3.59Å; I236-T337 HydrophobicContact CG1-CG2 3.89Å; I236-W448 HydrophobicContact CG2-CZ3 4.31Å
237Q96.9Very high95.7Very high15 Ų1517 Ų177%0.078%0.079CC..Iπ-helixtrans-56.4-29.9-171.6-173.4-82.5-27.100113.6M232 W446 V449M232-Q237 PolarHBondContact O-N 3.27Å; Q237-W446 HydrophobicContact CB-CH2 4.47Å; Q237-W446 HydrophobicContact CG-CD2 3.81Å; Q237-W446 HydrophobicContact CG-CE3 3.79Å; Q237-W446 HydrophobicContact CG-CH2 3.76Å; Q237-W446 HydrophobicContact CG-CZ2 3.79Å; Q237-W446 HydrophobicContact CG-CZ3 3.77Å; Q237-W446 VanDerWaalsContact NE2-CE2 3.3Å; Q237-V449 HydrophobicContact CB-CG1 4.29Å; Q237-V449 HydrophobicContact CB-CG2 3.84Å; Q237-V449 HydrophobicContact CG-CB 4.26Å; Q237-V449 HydrophobicContact CG-CG1 4.29Å; Q237-V449 HydrophobicContact CG-CG2 3.86Å
238N93.7Very high95.9Very high15 Ų1515.4 Ų15.48%0.087%0.07CC..Iπ-helixtrans-107.2-86.7179.446.548000110.3K147 D176 R233 D234 M235 I236 L240 L241 Q242K147-N238 WeakPolarHBondContact CD-ND2 3.47Å; K147-N238 PolarHBondContact NZ-ND2 2.94Å; D176-N238 VanDerWaalsContact OD2-C 3.26Å; D176-N238 WeakPolarHBondContact OD2-CB 3.25Å; R233-N238 PolarHBondContact O-ND2 3.4Å; D234-N238 PolarHBondContact O-ND2 2.77Å; D234-N238 PolarHBondContact O-OD1 2.98Å; M235-N238 PolarHBondContact O-OD1 3.28Å; I236-N238 PolarHBondContact O-N 3.41Å; N238-L240 PolarHBondContact O-N 3.18Å; N238-L241 PolarHBondContact O-N 3.43Å; N238-Q242 VanDerWaalsContact O-CG 3.31Å; N238-Q242 WeakPolarHBondContact O-CG 3.33Å; N238-Q242 PolarHBondContact O-N 2.94Å
239H95.1Very high96.1Very high1 Ų17.7 Ų7.71%0.0054%0.037CC..Iπ-helixtrans-59.3-50.1-162.5-56.2-28.8000113.5K147 D176 H177 Y178 M235 Q242 I243K147-H239 VanDerWaalsContact CE-CE1 3.47Å; K147-H239 WeakPolarHBondContact CE-CE1 3.28Å; K147-H239 VanDerWaalsContact CE-NE2 3.29Å; K147-H239 WeakPolarHBondContact CE-NE2 3.4Å; K147-H239 PolarHBondContact NZ-CE1 2.95Å; K147-H239 VanDerWaalsContact NZ-CE1 3.27Å; K147-H239 PolarHBondContact NZ-NE2 3.27Å; D176-H239 IonicContact OD1-CE1 2.88Å; D176-H239 PolarHBondContact OD1-CE1 2.95Å; D176-H239 IonicContact OD1-CG 3.58Å; D176-H239 IonicContact OD1-ND1 2.74Å; D176-H239 PolarHBondContact OD1-ND1 3.44Å; D176-H239 WeakPolarHBondContact OD2-CA 3.31Å; D176-H239 IonicContact OD2-CE1 3.55Å; D176-H239 IonicContact OD2-CG 2.97Å; D176-H239 PolarHBondContact OD2-N 3.35Å; D176-H239 IonicContact OD2-ND1 3.49Å; D176-H239 PolarHBondContact OD2-ND1 2.88Å; H177-H239 AromaticContact CE1-CE1 3.44Å; H177-H239 PolarHBondContact CE1-CE1 3.25Å; H177-H239 VanDerWaalsContact CE1-CE1 3.44Å; H177-H239 AromaticContact CE1-NE2 3.14Å; H177-H239 PolarHBondContact CE1-NE2 3.43Å; H177-H239 AromaticContact ND1-CE1 3.5Å; H177-H239 AromaticContact ND1-NE2 3.68Å; Y178-H239 HydrophobicContact CD1-CB 4.42Å; Y178-H239 HydrophobicContact CD2-CB 3.61Å; Y178-H239 AromaticContact CD2-CD2 3.46Å; Y178-H239 VanDerWaalsContact CD2-CD2 3.46Å; Y178-H239 WeakPolarHBondContact CD2-CD2 3.5Å; Y178-H239 AromaticContact CD2-CE1 3.71Å; Y178-H239 AromaticContact CD2-CG 3.23Å; Y178-H239 AromaticContact CD2-ND1 3.43Å; Y178-H239 WeakPolarHBondContact CD2-ND1 3.46Å; Y178-H239 AromaticContact CD2-NE2 3.73Å; Y178-H239 HydrophobicContact CE2-CB 3.89Å; Y178-H239 AromaticContact CE2-CD2 3.26Å; Y178-H239 WeakPolarHBondContact CE2-CD2 3.3Å; Y178-H239 AromaticContact CE2-CG 3.51Å; Y178-H239 AromaticContact CE2-NE2 3.69Å; Y178-H239 HydrophobicContact CG-CB 3.89Å; Y178-H239 AromaticContact CG-CG 3.98Å; M235-H239 PolarHBondContact O-N 3.31Å; H239-Q242 PolarHBondContact O-N 3.24Å; H239-I243 WeakPolarHBondContact O-CD1 3.43Å; H239-I243 VanDerWaalsContact O-CG1 3.3Å; H239-I243 WeakPolarHBondContact O-CG1 3.24Å; H239-I243 PolarHBondContact O-N 3.34Å
240L97.5Very high96.3Very high0 Ų08.7 Ų8.70%04%0.043CC..Iπ-helixtrans-70.6-35.9-177.9-7685.6000111.5I211 V213 M235 I236 N238 I243 L244 L335 T337I211-L240 HydrophobicContact CG2-CD2 4.18Å; I211-L240 HydrophobicContact CG2-CG 4.24Å; V213-L240 HydrophobicContact CB-CD1 3.96Å; V213-L240 HydrophobicContact CB-CG 4.46Å; V213-L240 HydrophobicContact CG2-CD1 3.74Å; V213-L240 HydrophobicContact CG2-CD2 4.25Å; V213-L240 HydrophobicContact CG2-CG 3.85Å; M235-L240 HydrophobicContact CB-CD1 3.97Å; M235-L240 WeakPolarHBondContact O-CD1 3.46Å; M235-L240 PolarHBondContact O-N 2.86Å; M235-L240 VanDerWaalsContact O-N 3.12Å; I236-L240 HydrophobicContact CD1-CB 4.18Å; I236-L240 HydrophobicContact CD1-CD1 4.31Å; I236-L240 HydrophobicContact CD1-CD2 3.81Å; I236-L240 HydrophobicContact CD1-CG 4.31Å; N238-L240 PolarHBondContact O-N 3.18Å; L240-I243 PolarHBondContact O-N 3.31Å; L240-L244 VanDerWaalsContact O-CB 3.25Å; L240-L244 WeakPolarHBondContact O-CB 3.4Å; L240-L244 PolarHBondContact O-N 2.89Å; L240-L335 HydrophobicContact CB-CD1 4.32Å; L240-L335 HydrophobicContact CB-CD2 4.48Å; L240-L335 HydrophobicContact CD2-CB 3.95Å; L240-L335 HydrophobicContact CD2-CD2 4.41Å; L240-T337 HydrophobicContact CD1-CG2 4.24Å; L240-T337 HydrophobicContact CD2-CG2 4.4Å
241L97.7Very high96.2Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-66.6-36.9173.3-77.2-177.8000112.1I236 N238 L244 C245 L268 L271 A445 W448 V449I236-L241 WeakPolarHBondContact O-CG 3.4Å; I236-L241 PolarHBondContact O-N 2.91Å; N238-L241 PolarHBondContact O-N 3.43Å; L241-L244 PolarHBondContact O-N 3.39Å; L241-C245 WeakPolarHBondContact O-CB 3.39Å; L241-C245 PolarHBondContact O-N 3.06Å; L241-C245 PolarHBondContact O-SG 2.85Å; L241-L268 HydrophobicContact CD2-CD2 4.46Å; L241-L271 HydrophobicContact CD2-CD1 3.88Å; L241-A445 HydrophobicContact CD1-CB 3.78Å; L241-W448 HydrophobicContact CD1-CE3 4.21Å; L241-W448 HydrophobicContact CD2-CE3 4.16Å; L241-W448 HydrophobicContact CD2-CZ3 4.01Å; L241-V449 HydrophobicContact CD1-CG2 4.05Å
242Q96.2Very high96.2Very high4 Ų412.7 Ų12.72%0.0197%0.068CC..Hα-helixtrans-62.4-48.8174.1-70.9-52.2-55.300111.8D176 L179 N238 H239 L244 C245 M246 K264 E441D176-Q242 HydrophobicContact CB-CG 4.12Å; D176-Q242 VanDerWaalsContact OD2-CG 3.24Å; D176-Q242 WeakPolarHBondContact OD2-CG 3.48Å; L179-Q242 HydrophobicContact CD1-CG 4.43Å; L179-Q242 HydrophobicContact CD2-CB 4.06Å; L179-Q242 HydrophobicContact CG-CB 4.34Å; L179-Q242 HydrophobicContact CG-CG 4.43Å; N238-Q242 VanDerWaalsContact O-CG 3.31Å; N238-Q242 WeakPolarHBondContact O-CG 3.33Å; N238-Q242 PolarHBondContact O-N 2.94Å; H239-Q242 PolarHBondContact O-N 3.24Å; Q242-L244 PolarHBondContact O-N 2.92Å; Q242-C245 PolarHBondContact O-N 3.24Å; Q242-M246 WeakPolarHBondContact O-CG 3.41Å; Q242-M246 PolarHBondContact O-N 3.22Å; Q242-K264 VanDerWaalsContact OE1-CE 3.25Å; Q242-E441 PolarHBondContact NE2-OE1 3.15Å; Q242-E441 PolarHBondContact OE1-OE1 3.09Å
243I96.5Very high96Very high0 Ų017.9 Ų17.90%011%0.105CC..Hα-helixtrans-61-45.8176.1-63.5160000110.3Y178 I211 V213 H239 L240 C245 M246 I247 V348 L376Y178-I243 HydrophobicContact CD1-CD1 3.77Å; Y178-I243 HydrophobicContact CE1-CD1 4.28Å; I211-I243 HydrophobicContact CD1-CG2 4.02Å; I211-I243 HydrophobicContact CG1-CG2 4.43Å; I211-I243 HydrophobicContact CG2-CB 4.34Å; I211-I243 HydrophobicContact CG2-CD1 4.33Å; I211-I243 HydrophobicContact CG2-CG2 3.97Å; V213-I243 HydrophobicContact CG2-CD1 4.43Å; H239-I243 WeakPolarHBondContact O-CD1 3.43Å; H239-I243 VanDerWaalsContact O-CG1 3.3Å; H239-I243 WeakPolarHBondContact O-CG1 3.24Å; H239-I243 PolarHBondContact O-N 3.34Å; L240-I243 PolarHBondContact O-N 3.31Å; I243-C245 VanDerWaalsContact C-N 3.29Å; I243-C245 PolarHBondContact O-N 3.34Å; I243-M246 PolarHBondContact O-N 3.45Å; I243-M246 VanDerWaalsContact O-N 3.15Å; I243-I247 HydrophobicContact CG2-CG1 4.37Å; I243-I247 WeakPolarHBondContact O-CG1 3.47Å; I243-I247 PolarHBondContact O-N 2.91Å; I243-V348 HydrophobicContact CG2-CG2 3.38Å; I243-L376 HydrophobicContact CD1-CD1 3.64Å; I243-L376 HydrophobicContact CG1-CD1 4.09Å; I243-L376 HydrophobicContact CG2-CD1 4.39Å
244L98.1Very high95.9Very high0 Ų018.5 Ų18.50%011%0.114CC..Hα-helixtrans-55.1-47.1177179.8155.4000110.7I211 L240 L241 Q242 M246 I247 A248 V267 L271 V321 I323 F333 L335I211-L244 HydrophobicContact CD1-CB 3.85Å; L240-L244 VanDerWaalsContact O-CB 3.25Å; L240-L244 WeakPolarHBondContact O-CB 3.4Å; L240-L244 PolarHBondContact O-N 2.89Å; L241-L244 PolarHBondContact O-N 3.39Å; Q242-L244 PolarHBondContact O-N 2.92Å; L244-M246 PolarHBondContact O-N 3.08Å; L244-I247 PolarHBondContact O-N 3.28Å; L244-A248 HydrophobicContact CD2-CB 4.37Å; L244-A248 WeakPolarHBondContact O-CB 3.28Å; L244-A248 PolarHBondContact O-N 3.23Å; L244-V267 HydrophobicContact CD2-CG1 3.62Å; L244-L271 HydrophobicContact CD2-CD2 4.02Å; L244-V321 HydrophobicContact CD1-CB 4.27Å; L244-V321 HydrophobicContact CD1-CG1 3.96Å; L244-V321 HydrophobicContact CD1-CG2 4.36Å; L244-I323 HydrophobicContact CD2-CD1 4.01Å; L244-F333 HydrophobicContact CD1-CB 4.28Å; L244-F333 HydrophobicContact CD1-CD1 4.35Å; L244-F333 HydrophobicContact CG-CD1 4.21Å; L244-L335 HydrophobicContact CD1-CD1 4.28Å; L244-L335 HydrophobicContact CD1-CD2 4.13Å
245C97.4Very high95.7Very high0 Ų023.5 Ų23.50%014%0.139CC..Hα-helixtrans-61.5-43.3178.7-68.70000111.8L241 Q242 I243 I247 A248 M249 K264 L268L241-C245 WeakPolarHBondContact O-CB 3.39Å; L241-C245 PolarHBondContact O-N 3.06Å; L241-C245 PolarHBondContact O-SG 2.85Å; Q242-C245 PolarHBondContact O-N 3.24Å; I243-C245 VanDerWaalsContact C-N 3.29Å; I243-C245 PolarHBondContact O-N 3.34Å; C245-I247 VanDerWaalsContact C-N 3.27Å; C245-I247 PolarHBondContact O-N 2.83Å; C245-A248 PolarHBondContact O-N 3.35Å; C245-M249 WeakPolarHBondContact O-CB 3.39Å; C245-M249 VanDerWaalsContact O-CG 3.28Å; C245-M249 WeakPolarHBondContact O-CG 3.22Å; C245-M249 PolarHBondContact O-N 3.27Å; C245-K264 HydrophobicContact CB-CB 3.98Å; C245-K264 HydrophobicContact CB-CG 4.02Å; C245-L268 WeakPolarHBondContact SG-CD2 3.28Å; C245-L268 VanDerWaalsContact SG-CG 3.58Å
246M95.7Very high95.5Very high11 Ų1125.5 Ų25.55%0.05416%0.155CC..Hα-helixtrans-63.4-32177.9-68.6-58.5-65.400113L179 V184 L187 L188 R191 Q242 I243 L244 M249 K264L179-M246 HydrophobicContact CD2-CG 4.16Å; V184-M246 HydrophobicContact CG1-CG 4.31Å; L187-M246 HydrophobicContact CD1-CB 3.78Å; L188-M246 HydrophobicContact CD1-CE 4.1Å; L188-M246 HydrophobicContact CD2-CE 3.65Å; L188-M246 HydrophobicContact CG-CE 3.62Å; R191-M246 PolarHBondContact NH1-O 3.15Å; Q242-M246 WeakPolarHBondContact O-CG 3.41Å; Q242-M246 PolarHBondContact O-N 3.22Å; I243-M246 PolarHBondContact O-N 3.45Å; I243-M246 VanDerWaalsContact O-N 3.15Å; L244-M246 PolarHBondContact O-N 3.08Å; M246-M249 HydrophobicContact CE-SD 4.48Å; M246-M249 HydrophobicContact SD-SD 4.04Å; M246-K264 HydrophobicContact SD-CD 4.07Å; M246-K264 HydrophobicContact SD-CG 4.47Å
247I96.4Very high95.3Very high0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-78.5-37.8175.3-63.3-66.9000111.9L187 R191 W201 V209 I243 L244 C245 F333 V348 I374L187-I247 HydrophobicContact CD1-CD1 3.7Å; L187-I247 HydrophobicContact CD1-CG1 4.21Å; L187-I247 HydrophobicContact CD2-CD1 3.57Å; L187-I247 HydrophobicContact CG-CD1 4.23Å; R191-I247 PolarHBondContact NE-O 3.04Å; R191-I247 PolarHBondContact NH1-O 3.49Å; R191-I247 PolarHBondContact NH2-O 3.01Å; W201-I247 HydrophobicContact CZ2-CD1 4.45Å; W201-I247 HydrophobicContact CZ2-CG2 4.2Å; W201-I247 PolarHBondContact NE1-O 3.29Å; V209-I247 HydrophobicContact CG1-CG2 4.25Å; I243-I247 HydrophobicContact CG2-CG1 4.37Å; I243-I247 WeakPolarHBondContact O-CG1 3.47Å; I243-I247 PolarHBondContact O-N 2.91Å; L244-I247 PolarHBondContact O-N 3.28Å; C245-I247 VanDerWaalsContact C-N 3.27Å; C245-I247 PolarHBondContact O-N 2.83Å; I247-F333 HydrophobicContact CG2-CE1 3.9Å; I247-F333 HydrophobicContact CG2-CZ 4.49Å; I247-V348 HydrophobicContact CD1-CB 4.46Å; I247-V348 HydrophobicContact CD1-CG1 3.81Å; I247-V348 HydrophobicContact CD1-CG2 4.44Å; I247-V348 HydrophobicContact CG1-CG1 3.95Å; I247-V348 HydrophobicContact CG1-CG2 4.41Å; I247-I374 HydrophobicContact CD1-CD1 4.34Å
248A97.6Very high95.1Very high1 Ų129.5 Ų29.51%0.00818%0.179CC..Hα-helixtrans-93.1-22.2-169.900000114.8L244 C245 V267 I323 W328 F333L244-A248 HydrophobicContact CD2-CB 4.37Å; L244-A248 WeakPolarHBondContact O-CB 3.28Å; L244-A248 PolarHBondContact O-N 3.23Å; C245-A248 PolarHBondContact O-N 3.35Å; A248-V267 HydrophobicContact CB-CG1 3.78Å; A248-V267 HydrophobicContact CB-CG2 3.93Å; A248-I323 HydrophobicContact CB-CD1 3.58Å; A248-W328 HydrophobicContact CB-CZ2 4.37Å; A248-W328 PolarHBondContact O-NE1 3.48Å; A248-F333 HydrophobicContact CB-CE1 4.38Å; A248-F333 HydrophobicContact CB-CZ 4.15Å
249M96.5Very high95.2Very high0 Ų029.4 Ų29.40%018%0.18CC..PPolyproline II helixtrans-57.3146.1-176.461179.3-8900112.1L188 R191 F192 C245 M246 P252 I260 E263 K264 V267L188-M249 HydrophobicContact CD2-CE 3.84Å; L188-M249 HydrophobicContact CD2-SD 4.1Å; R191-M249 VanDerWaalsContact NH1-CG 3.33Å; R191-M249 PolarHBondContact NH1-O 3.24Å; R191-M249 PolarHBondContact NH2-O 3.49Å; F192-M249 HydrophobicContact CE2-CE 4.01Å; F192-M249 HydrophobicContact CZ-CE 4.39Å; F192-M249 HydrophobicContact CZ-CG 4.46Å; C245-M249 WeakPolarHBondContact O-CB 3.39Å; C245-M249 VanDerWaalsContact O-CG 3.28Å; C245-M249 WeakPolarHBondContact O-CG 3.22Å; C245-M249 PolarHBondContact O-N 3.27Å; M246-M249 HydrophobicContact CE-SD 4.48Å; M246-M249 HydrophobicContact SD-SD 4.04Å; M249-P252 HydrophobicContact CE-CB 4.46Å; M249-P252 HydrophobicContact CE-CG 4.07Å; M249-I260 HydrophobicContact CE-CG2 4.26Å; M249-I260 HydrophobicContact SD-CG2 4.49Å; M249-E263 HydrophobicContact CB-CB 3.96Å; M249-E263 HydrophobicContact CE-CB 4.28Å; M249-K264 HydrophobicContact SD-CG 4.16Å; M249-V267 HydrophobicContact CB-CG2 4.25Å
250S95.3Very high95.1Very high29 Ų2929.8 Ų29.820%0.20318%0.182CC..PPolyproline II helixtrans-73166169.9-67.80000110.6E263S250-E263 WeakPolarHBondContact CB-OE2 3.34Å
251P94.2Very high95Very high64 Ų6430 Ų3042%0.41618%0.182SC..PPolyproline II helixtrans-55.4125171.1-20.630.1000109.8F192F192-P251 HydrophobicContact CD1-CB 3.93Å; F192-P251 HydrophobicContact CD1-CG 3.82Å; F192-P251 HydrophobicContact CE1-CB 3.87Å; F192-P251 HydrophobicContact CE1-CG 3.58Å; F192-P251 HydrophobicContact CZ-CB 4.45Å; F192-P251 HydrophobicContact CZ-CG 4.47Å
252P94.6Very high95Very high20 Ų2033.8 Ų33.813%0.1320%0.203CC..PPolyproline II helixtrans-71.1161.9176.132.8-35.9000110.2M249 D254 S259 I260 E263M249-P252 HydrophobicContact CE-CB 4.46Å; M249-P252 HydrophobicContact CE-CG 4.07Å; P252-D254 VanDerWaalsContact C-N 3.26Å; P252-D254 WeakPolarHBondContact CB-O 3.21Å; P252-D254 WeakPolarHBondContact CG-O 3.35Å; P252-D254 PolarHBondContact O-N 3.14Å; P252-S259 WeakPolarHBondContact CB-O 3.28Å; P252-I260 HydrophobicContact CB-CG1 4.46Å; P252-I260 HydrophobicContact CG-CG1 4.21Å; P252-E263 HydrophobicContact CB-CG 4.3Å
253S94.1Very high95Very high110 Ų11035.3 Ų35.377%0.76921%0.21SC*.SBendtrans-62.9-33.5177.242.60000113S259S253-S259 PolarHBondContact OG-OG 3.03Å; S253-S259 VanDerWaalsContact OG-OG 3.11Å
254D93.4Very high95Very high82 Ų8235.3 Ų35.344%0.43921%0.21SC..SBendtrans-153.8-17817258.541.8000110P252 S256 S259P252-D254 VanDerWaalsContact C-N 3.26Å; P252-D254 WeakPolarHBondContact CB-O 3.21Å; P252-D254 WeakPolarHBondContact CG-O 3.35Å; P252-D254 PolarHBondContact O-N 3.14Å; D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 WeakPolarHBondContact OD1-CB 3.38Å; D254-S256 PolarHBondContact OD1-N 3.1Å; D254-S256 PolarHBondContact OD1-OG 2.89Å; D254-S259 WeakPolarHBondContact O-CB 3.43Å; D254-S259 WeakPolarHBondContact OD1-CB 3.38Å; D254-S259 PolarHBondContact OD1-OG 2.96Å
255L90.5Very high95Very high131 Ų13135.6 Ų35.669%0.68621%0.212SC*.SBendtrans-92.118.7178.7-60.2179.9000113.4
256S91.8Very high95.1Very high53 Ų5340.6 Ų40.637%0.37123%0.233SC..SBendtrans-68.5155.9171.373.50000110.8D254 D258 S259 I260D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 WeakPolarHBondContact OD1-CB 3.38Å; D254-S256 PolarHBondContact OD1-N 3.1Å; D254-S256 PolarHBondContact OD1-OG 2.89Å; S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 3.12Å; S256-S259 PolarHBondContact O-N 2.99Å; S256-S259 PolarHBondContact OG-N 3.23Å; S256-S259 PolarHBondContact OG-OG 3.39Å; S256-S259 VanDerWaalsContact OG-OG 3.06Å; S256-I260 PolarHBondContact O-N 3.29Å
257A91.4Very high95.2Very high20 Ų2040.2 Ų40.217%0.16523%0.232CC..Hα-helixtrans-57.7-42.4-177.200000112.4R261 Q433 A434A257-R261 WeakPolarHBondContact O-CB 3.42Å; A257-R261 WeakPolarHBondContact O-CG 3.02Å; A257-R261 PolarHBondContact O-N 3.05Å; A257-R261 PolarHBondContact O-NE 2.9Å; A257-Q433 HydrophobicContact CB-CB 4.01Å; A257-A434 HydrophobicContact CB-CB 4.03Å
258D93.6Very high95.3Very high78 Ų7840.4 Ų40.442%0.41723%0.233SC..Hα-helixtrans-71.5-41.5-179.2-76-42.8000112.9S256 I260 R261 D262 R438S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 3.12Å; D258-I260 VanDerWaalsContact C-N 3.27Å; D258-I260 PolarHBondContact O-N 3.43Å; D258-R261 PolarHBondContact O-N 2.94Å; D258-R261 VanDerWaalsContact O-N 3.14Å; D258-R261 IonicContact OD1-CZ 3.66Å; D258-R261 IonicContact OD1-NE 3.26Å; D258-R261 PolarHBondContact OD1-NE 2.99Å; D258-R261 IonicContact OD1-NH2 3.4Å; D258-R261 PolarHBondContact OD1-NH2 2.96Å; D258-R261 IonicContact OD2-NH2 2.74Å; D258-D262 WeakPolarHBondContact O-CB 3.48Å; D258-D262 PolarHBondContact O-N 3.11Å; D258-R438 IonicContact OD1-NH1 2.81Å; D258-R438 PolarHBondContact OD1-NH1 2.54Å
259S95.3Very high95.4Very high14 Ų1446.7 Ų46.710%0.09826%0.26CS..Hα-helixtrans-57.9-40176-62.90000112.4P252 S253 D254 S256P252-S259 WeakPolarHBondContact CB-O 3.28Å; S253-S259 PolarHBondContact OG-OG 3.03Å; S253-S259 VanDerWaalsContact OG-OG 3.11Å; D254-S259 WeakPolarHBondContact O-CB 3.43Å; D254-S259 WeakPolarHBondContact OD1-CB 3.38Å; D254-S259 PolarHBondContact OD1-OG 2.96Å; S256-S259 PolarHBondContact O-N 2.99Å; S256-S259 PolarHBondContact OG-N 3.23Å; S256-S259 PolarHBondContact OG-OG 3.39Å; S256-S259 VanDerWaalsContact OG-OG 3.06Å
260I94.3Very high95.4Very high8 Ų847.8 Ų47.84%0.04127%0.268CS..Hα-helixtrans-68.2-47.9175.7-66.8167.4000110.5L188 M249 P252 S256 D258 D262 E263 K264 A434L188-I260 HydrophobicContact CD1-CD1 3.94Å; M249-I260 HydrophobicContact CE-CG2 4.26Å; M249-I260 HydrophobicContact SD-CG2 4.49Å; P252-I260 HydrophobicContact CB-CG1 4.46Å; P252-I260 HydrophobicContact CG-CG1 4.21Å; S256-I260 PolarHBondContact O-N 3.29Å; D258-I260 VanDerWaalsContact C-N 3.27Å; D258-I260 PolarHBondContact O-N 3.43Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 PolarHBondContact O-N 2.83Å; I260-E263 PolarHBondContact O-N 2.82Å; I260-K264 HydrophobicContact CG2-CD 4.08Å; I260-K264 WeakPolarHBondContact O-CG 3.29Å; I260-K264 PolarHBondContact O-N 3.27Å; I260-K264 VanDerWaalsContact O-N 3.14Å; I260-A434 HydrophobicContact CD1-CB 4.41Å
261R95Very high95.6Very high4 Ų447.1 Ų47.12%0.01526%0.262CS..Hα-helixtrans-65.4-35.1-177.5-69-178.8-48.1175.3-6.5112.4A257 D258 E263 K264 V265 F436A257-R261 WeakPolarHBondContact O-CB 3.42Å; A257-R261 WeakPolarHBondContact O-CG 3.02Å; A257-R261 PolarHBondContact O-N 3.05Å; A257-R261 PolarHBondContact O-NE 2.9Å; D258-R261 PolarHBondContact O-N 2.94Å; D258-R261 VanDerWaalsContact O-N 3.14Å; D258-R261 IonicContact OD1-CZ 3.66Å; D258-R261 IonicContact OD1-NE 3.26Å; D258-R261 PolarHBondContact OD1-NE 2.99Å; D258-R261 IonicContact OD1-NH2 3.4Å; D258-R261 PolarHBondContact OD1-NH2 2.96Å; D258-R261 IonicContact OD2-NH2 2.74Å; R261-E263 PolarHBondContact O-N 3.23Å; R261-K264 PolarHBondContact O-N 3.23Å; R261-V265 WeakPolarHBondContact O-CG2 3.47Å; R261-V265 PolarHBondContact O-N 2.97Å; R261-F436 WeakPolarHBondContact CD-O 3.43Å
262D97.2Very high95.8Very high80 Ų8049.5 Ų49.543%0.42826%0.262SS..Hα-helixtrans-61.7-44175.9-74.2-10.9000111.9D258 I260 V265 K266 R438D258-D262 WeakPolarHBondContact O-CB 3.48Å; D258-D262 PolarHBondContact O-N 3.11Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 PolarHBondContact O-N 2.83Å; D262-V265 PolarHBondContact O-N 3.3Å; D262-K266 WeakPolarHBondContact O-CB 3.4Å; D262-K266 PolarHBondContact O-N 3.49Å; D262-R438 IonicContact OD1-CZ 2.7Å; D262-R438 IonicContact OD1-NH1 2.78Å; D262-R438 PolarHBondContact OD1-NH1 3.44Å; D262-R438 IonicContact OD1-NH2 3.44Å; D262-R438 PolarHBondContact OD1-NH2 3.39Å
263E96.9Very high96Very high36 Ų3655.8 Ų55.817%0.16828%0.283CS..Hα-helixtrans-70.5-30.9177.3-71.4-61.5145.900112.7M249 S250 P252 I260 R261 K266 V267M249-E263 HydrophobicContact CB-CB 3.96Å; M249-E263 HydrophobicContact CE-CB 4.28Å; S250-E263 WeakPolarHBondContact CB-OE2 3.34Å; P252-E263 HydrophobicContact CB-CG 4.3Å; I260-E263 PolarHBondContact O-N 2.82Å; R261-E263 PolarHBondContact O-N 3.23Å; E263-K266 IonicContact OE1-NZ 3.65Å; E263-K266 WeakPolarHBondContact OE2-CD 3.4Å; E263-K266 IonicContact OE2-NZ 3.63Å; E263-V267 PolarHBondContact O-N 3.23Å
264K97.1Very high96.2Very high1 Ų150.8 Ų50.80%0.00425%0.248CC..Hα-helixtrans-65-48.6170.7-65.916971.9-151.20111.4Q242 C245 M246 M249 I260 R261 K266 V267 L268 E441Q242-K264 VanDerWaalsContact OE1-CE 3.25Å; C245-K264 HydrophobicContact CB-CB 3.98Å; C245-K264 HydrophobicContact CB-CG 4.02Å; M246-K264 HydrophobicContact SD-CD 4.07Å; M246-K264 HydrophobicContact SD-CG 4.47Å; M249-K264 HydrophobicContact SD-CG 4.16Å; I260-K264 HydrophobicContact CG2-CD 4.08Å; I260-K264 WeakPolarHBondContact O-CG 3.29Å; I260-K264 PolarHBondContact O-N 3.27Å; I260-K264 VanDerWaalsContact O-N 3.14Å; R261-K264 PolarHBondContact O-N 3.23Å; K264-K266 VanDerWaalsContact C-N 3.27Å; K264-K266 PolarHBondContact O-N 3.24Å; K264-V267 WeakPolarHBondContact O-CB 3.34Å; K264-V267 PolarHBondContact O-N 3.02Å; K264-L268 PolarHBondContact O-N 3.2Å; K264-L268 VanDerWaalsContact O-N 3.11Å; K264-E441 WeakPolarHBondContact CE-OE1 3.46Å; K264-E441 IonicContact NZ-OE1 3.75Å; K264-E441 PolarHBondContact NZ-OE1 2.98Å; K264-E441 IonicContact NZ-OE2 2.94Å; K264-E441 PolarHBondContact NZ-OE2 3.42Å
265V97.9Very high96.4Very high5 Ų549.5 Ų49.53%0.0324%0.241CC..Hα-helixtrans-61.3-37.1178.21710000111.5R261 D262 V267 L268 K269 E441 E444R261-V265 WeakPolarHBondContact O-CG2 3.47Å; R261-V265 PolarHBondContact O-N 2.97Å; D262-V265 PolarHBondContact O-N 3.3Å; V265-V267 VanDerWaalsContact C-N 3.3Å; V265-V267 PolarHBondContact O-N 2.75Å; V265-L268 PolarHBondContact O-N 3.3Å; V265-K269 HydrophobicContact CG1-CD 4.06Å; V265-K269 HydrophobicContact CG1-CG 4.37Å; V265-K269 WeakPolarHBondContact O-CG 3.39Å; V265-K269 PolarHBondContact O-N 3.1Å; V265-E441 HydrophobicContact CG2-CB 3.78Å; V265-E441 HydrophobicContact CG2-CG 4.17Å; V265-E444 HydrophobicContact CG1-CG 4.44Å
266K98.3Very high96.6Very high105 Ų10551.1 Ų51.146%0.45724%0.238SC..Hα-helixtrans-60.3-38.5174.7-173.1-177.2-178.9176.60112.5D262 E263 K264 S270D262-K266 WeakPolarHBondContact O-CB 3.4Å; D262-K266 PolarHBondContact O-N 3.49Å; E263-K266 IonicContact OE1-NZ 3.65Å; E263-K266 WeakPolarHBondContact OE2-CD 3.4Å; E263-K266 IonicContact OE2-NZ 3.63Å; K264-K266 VanDerWaalsContact C-N 3.27Å; K264-K266 PolarHBondContact O-N 3.24Å; K266-S270 WeakPolarHBondContact O-CB 3.39Å; K266-S270 PolarHBondContact O-N 2.81Å; K266-S270 PolarHBondContact O-OG 3.26Å
267V98.4Very high96.9Very high3 Ų353.6 Ų53.62%0.01826%0.255CS..Hα-helixtrans-63.7-49.9172.7173.10000110.5L244 A248 M249 E263 K264 V265 K269 S270 L271 I323L244-V267 HydrophobicContact CD2-CG1 3.62Å; A248-V267 HydrophobicContact CB-CG1 3.78Å; A248-V267 HydrophobicContact CB-CG2 3.93Å; M249-V267 HydrophobicContact CB-CG2 4.25Å; E263-V267 PolarHBondContact O-N 3.23Å; K264-V267 WeakPolarHBondContact O-CB 3.34Å; K264-V267 PolarHBondContact O-N 3.02Å; V265-V267 VanDerWaalsContact C-N 3.3Å; V265-V267 PolarHBondContact O-N 2.75Å; V267-K269 VanDerWaalsContact C-N 3.3Å; V267-K269 PolarHBondContact O-N 2.97Å; V267-S270 CarbonylContact O-C 3.54Å; V267-S270 WeakPolarHBondContact O-CA 3.47Å; V267-S270 WeakPolarHBondContact O-CB 3.25Å; V267-S270 PolarHBondContact O-N 3.3Å; V267-L271 HydrophobicContact CG1-CD2 4.42Å; V267-L271 PolarHBondContact O-N 3.48Å; V267-L271 VanDerWaalsContact O-N 3.16Å; V267-I323 HydrophobicContact CG1-CD1 4.2Å
268L98.5Very high97.1Very high5 Ų553.8 Ų53.83%0.02625%0.254CS..Hα-helixtrans-56.8-44.2-179.9-68175.1000112.2L241 C245 K264 V265 S270 L271 E441 E444 A445L241-L268 HydrophobicContact CD2-CD2 4.46Å; C245-L268 WeakPolarHBondContact SG-CD2 3.28Å; C245-L268 VanDerWaalsContact SG-CG 3.58Å; K264-L268 PolarHBondContact O-N 3.2Å; K264-L268 VanDerWaalsContact O-N 3.11Å; V265-L268 PolarHBondContact O-N 3.3Å; L268-S270 PolarHBondContact O-N 3.03Å; L268-L271 HydrophobicContact CD2-CD1 3.92Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 WeakPolarHBondContact O-CG 3.49Å; L268-L271 PolarHBondContact O-N 2.94Å; L268-L271 VanDerWaalsContact O-N 3.11Å; L268-E441 HydrophobicContact CD1-CB 4.33Å; L268-E441 HydrophobicContact CD1-CG 3.44Å; L268-E441 VanDerWaalsContact CD1-CG 3.44Å; L268-E441 VanDerWaalsContact CD1-O 3.26Å; L268-E441 WeakPolarHBondContact CD1-O 3.08Å; L268-E444 HydrophobicContact CB-CB 3.77Å; L268-E444 HydrophobicContact CD1-CB 4.19Å; L268-A445 HydrophobicContact CD1-CB 4.43Å; L268-A445 HydrophobicContact CD2-CB 4.5Å
269K98.4Very high97.3Very high132 Ų13250.1 Ų50.157%0.57423%0.234SC*.Hα-helixtrans-64.9-21.4174.9-72.2178.6177.4175.10113.8V265 V267 E444V265-K269 HydrophobicContact CG1-CD 4.06Å; V265-K269 HydrophobicContact CG1-CG 4.37Å; V265-K269 WeakPolarHBondContact O-CG 3.39Å; V265-K269 PolarHBondContact O-N 3.1Å; V267-K269 VanDerWaalsContact C-N 3.3Å; V267-K269 PolarHBondContact O-N 2.97Å; K269-E444 HydrophobicContact CG-CG 3.91Å
270S98.5Very high97.3Very high24 Ų2458.3 Ų58.317%0.16826%0.263CS..THydrogen-bonded Turntrans-93.3-1.6177.6-52.70000112.5K266 V267 L268 R272 I323 D324K266-S270 WeakPolarHBondContact O-CB 3.39Å; K266-S270 PolarHBondContact O-N 2.81Å; K266-S270 PolarHBondContact O-OG 3.26Å; V267-S270 CarbonylContact O-C 3.54Å; V267-S270 WeakPolarHBondContact O-CA 3.47Å; V267-S270 WeakPolarHBondContact O-CB 3.25Å; V267-S270 PolarHBondContact O-N 3.3Å; L268-S270 PolarHBondContact O-N 3.03Å; S270-R272 PolarHBondContact O-N 3.34Å; S270-I323 CarbonylContact O-C 3.58Å; S270-I323 WeakPolarHBondContact O-CA 3.05Å; S270-D324 PolarHBondContact O-N 3.5Å
271L98.7Very high97.3Very high15 Ų1561.9 Ų61.98%0.07928%0.28CS..BIsolated β-bridgetrans-66.5123176.1-62.5-176.6000109.3L241 L244 V267 L268 R273 V321 I323 W448L241-L271 HydrophobicContact CD2-CD1 3.88Å; L244-L271 HydrophobicContact CD2-CD2 4.02Å; V267-L271 HydrophobicContact CG1-CD2 4.42Å; V267-L271 PolarHBondContact O-N 3.48Å; V267-L271 VanDerWaalsContact O-N 3.16Å; L268-L271 HydrophobicContact CD2-CD1 3.92Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 WeakPolarHBondContact O-CG 3.49Å; L268-L271 PolarHBondContact O-N 2.94Å; L268-L271 VanDerWaalsContact O-N 3.11Å; L271-R273 PolarHBondContact O-N 2.89Å; L271-V321 HydrophobicContact CD2-CG1 3.73Å; L271-I323 HydrophobicContact CD2-CD1 4.47Å; L271-I323 HydrophobicContact CD2-CG1 3.94Å; L271-W448 HydrophobicContact CB-CG 4.15Å; L271-W448 HydrophobicContact CD1-CB 4.47Å; L271-W448 HydrophobicContact CD1-CD2 3.96Å; L271-W448 HydrophobicContact CD1-CE3 4.34Å; L271-W448 HydrophobicContact CD1-CG 4.01Å
272R98.4Very high97.5Very high113 Ų11362.6 Ų62.643%0.42628%0.283SS..PPolyproline II helixtrans-60.4128.5174.6-173.2175.3-67.1-163.96.5109S270 I274 D322 D324 W448S270-R272 PolarHBondContact O-N 3.34Å; R272-I274 PolarHBondContact O-N 2.8Å; R272-D322 HydrophobicContact CB-CB 3.91Å; R272-D322 WeakPolarHBondContact CB-O 3.47Å; R272-D322 PolarHBondContact N-O 2.67Å; R272-D324 WeakPolarHBondContact CB-OD2 3.46Å; R272-D324 WeakPolarHBondContact CG-OD2 3.22Å; R272-D324 IonicContact CZ-OD1 2.79Å; R272-D324 VanDerWaalsContact CZ-OD1 3.3Å; R272-D324 IonicContact CZ-OD2 3.22Å; R272-D324 IonicContact NE-OD1 3.94Å; R272-D324 PolarHBondContact NE-OD1 3.11Å; R272-D324 VanDerWaalsContact NE-OD1 3.07Å; R272-D324 IonicContact NE-OD2 3.81Å; R272-D324 PolarHBondContact NE-OD2 2.86Å; R272-D324 IonicContact NH2-OD1 3.44Å; R272-D324 PolarHBondContact NH2-OD1 3.06Å; R272-D324 IonicContact NH2-OD2 2.67Å; R272-W448 PolarHBondContact O-NE1 2.96Å
273R98.2Very high97.5Very high152 Ų15259.3 Ų59.357%0.57427%0.266SS*.PPolyproline II helixtrans-59.7132.7178-169.7174.5-177.2156.82.3110.4L271 N278L271-R273 PolarHBondContact O-N 2.89Å; R273-N278 PolarHBondContact O-ND2 2.93Å
274I98.4Very high97.6Very high5 Ų558.3 Ų58.33%0.02626%0.262CS..  trans-105.4118.8169.7-63.2176.7000106.9R272 N278 V279 K282 T283 I319 W448 S451 I452R272-I274 PolarHBondContact O-N 2.8Å; I274-N278 VanDerWaalsContact CA-OD1 3.25Å; I274-N278 WeakPolarHBondContact CA-OD1 3.39Å; I274-N278 WeakPolarHBondContact CG2-OD1 3.26Å; I274-V279 HydrophobicContact CG2-CB 4.02Å; I274-V279 HydrophobicContact CG2-CG2 4.06Å; I274-K282 HydrophobicContact CD1-CB 3.86Å; I274-K282 HydrophobicContact CG1-CB 4.24Å; I274-K282 HydrophobicContact CG1-CG 4.48Å; I274-K282 HydrophobicContact CG2-CB 4.33Å; I274-T283 HydrophobicContact CD1-CG2 4.28Å; I274-T283 HydrophobicContact CG2-CG2 3.97Å; I274-I319 HydrophobicContact CD1-CG2 3.6Å; I274-W448 HydrophobicContact CD1-CH2 4.3Å; I274-W448 HydrophobicContact CD1-CZ2 3.59Å; I274-W448 HydrophobicContact CG1-CZ2 4.25Å; I274-S451 CarbonylContact O-C 3.58Å; I274-S451 VanDerWaalsContact O-C 3.29Å; I274-S451 WeakPolarHBondContact O-CB 3.41Å; I274-S451 PolarHBondContact O-OG 2.77Å; I274-I452 HydrophobicContact CB-CD1 4.19Å; I274-I452 HydrophobicContact CB-CG1 3.59Å; I274-I452 HydrophobicContact CD1-CD1 4.12Å; I274-I452 HydrophobicContact CD1-CG1 4.38Å; I274-I452 HydrophobicContact CG2-CG1 3.76Å
275D97.4Very high97.6Very high55 Ų5559.8 Ų59.829%0.29427%0.268SS..  trans-137.7-171.4-175.664.933.4000110.4S277 N278 V279D275-S277 PolarHBondContact O-N 2.97Å; D275-S277 WeakPolarHBondContact OD1-CA 3.36Å; D275-S277 VanDerWaalsContact OD1-CB 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.17Å; D275-S277 PolarHBondContact OD1-N 3.24Å; D275-S277 PolarHBondContact OD1-OG 3.24Å; D275-N278 PolarHBondContact N-OD1 3.36Å; D275-N278 PolarHBondContact O-N 3.1Å; D275-N278 VanDerWaalsContact O-N 3.07Å; D275-N278 PolarHBondContact O-OD1 2.98Å; D275-N278 VanDerWaalsContact O-OD1 3.13Å; D275-V279 VanDerWaalsContact O-CB 3.24Å; D275-V279 WeakPolarHBondContact O-CB 3.42Å; D275-V279 PolarHBondContact O-N 2.92Å
276R96.1Very high97.6Very high166 Ų16659.6 Ų59.663%0.62627%0.266SS*.THydrogen-bonded Turntrans-56.3-26.6-177.2-167.9177.1-178.4-166.21.8113.6N278R276-N278 VanDerWaalsContact C-N 3.33Å
277S96.4Very high97.6Very high104 Ų10455.8 Ų55.873%0.72725%0.25SS*.THydrogen-bonded Turntrans-73.2-24.6-178.1740000113.2D275D275-S277 PolarHBondContact O-N 2.97Å; D275-S277 WeakPolarHBondContact OD1-CA 3.36Å; D275-S277 VanDerWaalsContact OD1-CB 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.17Å; D275-S277 PolarHBondContact OD1-N 3.24Å; D275-S277 PolarHBondContact OD1-OG 3.24Å
278N96.9Very high97.6Very high25 Ų2555.8 Ų55.813%0.13425%0.25CC..THydrogen-bonded Turntrans-134.8-5.9-173.266.515.4000114.8R273 I274 D275 R276 R280 E281 K282R273-N278 PolarHBondContact O-ND2 2.93Å; I274-N278 VanDerWaalsContact CA-OD1 3.25Å; I274-N278 WeakPolarHBondContact CA-OD1 3.39Å; I274-N278 WeakPolarHBondContact CG2-OD1 3.26Å; D275-N278 PolarHBondContact N-OD1 3.36Å; D275-N278 PolarHBondContact O-N 3.1Å; D275-N278 VanDerWaalsContact O-N 3.07Å; D275-N278 PolarHBondContact O-OD1 2.98Å; D275-N278 VanDerWaalsContact O-OD1 3.13Å; R276-N278 VanDerWaalsContact C-N 3.33Å; N278-R280 VanDerWaalsContact C-N 3.29Å; N278-R280 PolarHBondContact O-N 2.9Å; N278-E281 WeakPolarHBondContact O-CA 3.25Å; N278-E281 VanDerWaalsContact O-CB 3.28Å; N278-E281 WeakPolarHBondContact O-CB 3.36Å; N278-E281 PolarHBondContact O-N 2.79Å; N278-K282 HydrophobicContact CB-CG 4.27Å; N278-K282 PolarHBondContact O-N 3.16Å
279V97.2Very high97.6Very high1 Ų158.4 Ų58.41%0.00627%0.266CS..Hα-helixtrans-57.6-38.2-173.568.40000113.4I274 D275 E281 K282 T283 A455 W456I274-V279 HydrophobicContact CG2-CB 4.02Å; I274-V279 HydrophobicContact CG2-CG2 4.06Å; D275-V279 VanDerWaalsContact O-CB 3.24Å; D275-V279 WeakPolarHBondContact O-CB 3.42Å; D275-V279 PolarHBondContact O-N 2.92Å; V279-E281 PolarHBondContact O-N 2.87Å; V279-K282 PolarHBondContact O-N 3.35Å; V279-T283 HydrophobicContact CG2-CG2 4.05Å; V279-T283 WeakPolarHBondContact CG2-OG1 3.34Å; V279-T283 WeakPolarHBondContact O-CB 3.23Å; V279-T283 PolarHBondContact O-N 3.36Å; V279-T283 PolarHBondContact O-OG1 3.06Å; V279-A455 HydrophobicContact CB-CB 3.91Å; V279-A455 HydrophobicContact CG1-CB 3.89Å; V279-A455 HydrophobicContact CG2-CB 4.08Å; V279-W456 HydrophobicContact CG2-CG 4.35Å; V279-W456 VanDerWaalsContact CG2-NE1 3.27Å
280R95Very high97.5Very high186 Ų18653.7 Ų53.770%0.70225%0.251SS*.Hα-helixtrans-65.3-27.5176.3-67.6-177.4178.9-177.21.1113N278 D459N278-R280 VanDerWaalsContact C-N 3.29Å; N278-R280 PolarHBondContact O-N 2.9Å; R280-D459 WeakPolarHBondContact CG-OD2 3.09Å; R280-D459 IonicContact CZ-OD1 2.69Å; R280-D459 IonicContact CZ-OD2 3.79Å; R280-D459 VanDerWaalsContact NE-CG 3.26Å; R280-D459 IonicContact NE-OD1 2.94Å; R280-D459 PolarHBondContact NE-OD1 3.34Å; R280-D459 IonicContact NE-OD2 3.07Å; R280-D459 PolarHBondContact NE-OD2 2.93Å; R280-D459 IonicContact NH2-OD1 3.01Å; R280-D459 PolarHBondContact NH2-OD1 3.46Å; R280-D459 IonicContact NH2-OD2 3.78Å
281E95.6Very high97.4Very high83 Ų8352.7 Ų52.739%0.38825%0.245SC..Hα-helixtrans-83.9-39.9-179.7-167.4-154.8132.600111.1N278 V279 R482N278-E281 WeakPolarHBondContact O-CA 3.25Å; N278-E281 VanDerWaalsContact O-CB 3.28Å; N278-E281 WeakPolarHBondContact O-CB 3.36Å; N278-E281 PolarHBondContact O-N 2.79Å; V279-E281 PolarHBondContact O-N 2.87Å; E281-R482 PolarHBondContact O-NH1 3.38Å; E281-R482 PolarHBondContact O-NH2 2.89Å; E281-R482 IonicContact OE1-NH2 3.03Å
282K97.6Very high97.2Very high18 Ų1858.2 Ų58.28%0.07827%0.269CS..Hα-helixtrans-96.7-14.1-169.3-59.6-55.2-171.3-156.90114.5I274 N278 V279 I319 R320 D322I274-K282 HydrophobicContact CD1-CB 3.86Å; I274-K282 HydrophobicContact CG1-CB 4.24Å; I274-K282 HydrophobicContact CG1-CG 4.48Å; I274-K282 HydrophobicContact CG2-CB 4.33Å; N278-K282 HydrophobicContact CB-CG 4.27Å; N278-K282 PolarHBondContact O-N 3.16Å; V279-K282 PolarHBondContact O-N 3.35Å; K282-I319 CarbonylContact O-C 3.59Å; K282-I319 WeakPolarHBondContact O-CA 3.45Å; K282-R320 HydrophobicContact CD-CB 4.31Å; K282-R320 HydrophobicContact CD-CG 4.37Å; K282-R320 PolarHBondContact O-N 2.93Å; K282-D322 IonicContact NZ-OD2 3.66Å
283T98.1Very high96.7Very high12 Ų1253.3 Ų53.37%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-132.8149.2-173.772.40000112.6I274 V279 A318 I319 I452 W456I274-T283 HydrophobicContact CD1-CG2 4.28Å; I274-T283 HydrophobicContact CG2-CG2 3.97Å; V279-T283 HydrophobicContact CG2-CG2 4.05Å; V279-T283 WeakPolarHBondContact CG2-OG1 3.34Å; V279-T283 WeakPolarHBondContact O-CB 3.23Å; V279-T283 PolarHBondContact O-N 3.36Å; V279-T283 PolarHBondContact O-OG1 3.06Å; T283-A318 CarbonylContact C-O 3.5Å; T283-A318 WeakPolarHBondContact CA-O 3.4Å; T283-I319 HydrophobicContact CG2-CG1 4.32Å; T283-I319 HydrophobicContact CG2-CG2 4.11Å; T283-I452 HydrophobicContact CG2-CG2 4.17Å; T283-W456 HydrophobicContact CG2-CZ2 4.3Å; T283-W456 PolarHBondContact OG1-NE1 2.88Å
284V98.1Very high96Very high15 Ų1553 Ų539%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-130.9126.1170.3177.50000108.4V317 A318 P473 A475 M479V284-V317 WeakPolarHBondContact O-CA 3.4Å; V284-A318 HydrophobicContact CB-CB 4.36Å; V284-A318 PolarHBondContact N-O 3.09Å; V284-A318 PolarHBondContact O-N 3.12Å; V284-P473 HydrophobicContact CG1-CB 4.43Å; V284-P473 HydrophobicContact CG1-CG 4.42Å; V284-A475 HydrophobicContact CG1-CB 3.81Å; V284-A475 HydrophobicContact CG2-CB 4.16Å; V284-M479 HydrophobicContact CG2-CB 4.15Å; V284-M479 HydrophobicContact CG2-SD 4.13Å
285R98Very high95.5Very high32 Ų3256.4 Ų56.412%0.12129%0.294CS..EExtended strand (participates in β ladder)trans-103139.3168.9-71.3-176.1-77.2163.57.8110.1E314 F316 W456 D461 P463 K464R285-E314 HydrophobicContact CB-CB 4.01Å; R285-E314 HydrophobicContact CG-CB 4.03Å; R285-E314 HydrophobicContact CG-CG 4.32Å; R285-F316 WeakPolarHBondContact CA-O 3.01Å; R285-W456 VanDerWaalsContact CD-CE3 3.44Å; R285-W456 HydrophobicContact CG-CD2 3.96Å; R285-W456 HydrophobicContact CG-CE3 4.14Å; R285-W456 HydrophobicContact CG-CH2 3.59Å; R285-W456 HydrophobicContact CG-CZ2 3.4Å; R285-W456 VanDerWaalsContact CG-CZ2 3.4Å; R285-W456 HydrophobicContact CG-CZ3 3.94Å; R285-D461 PolarHBondContact NH2-O 2.97Å; R285-P463 HydrophobicContact CB-CB 4.19Å; R285-K464 PolarHBondContact O-N 2.89Å
286G98.1Very high95.3Very high0 Ų061 Ų610%031%0.311CS..EExtended strand (participates in β ladder)trans-129.6155.7173.800000113.3E314 T315 F316 K464G286-E314 CarbonylContact O-C 3.57Å; G286-E314 WeakPolarHBondContact O-CA 3.43Å; G286-T315 PolarHBondContact O-N 2.71Å; G286-F316 PolarHBondContact N-O 2.96Å; G286-F316 PolarHBondContact O-N 2.94Å; G286-K464 CarbonylContact C-O 3.56Å; G286-K464 WeakPolarHBondContact CA-O 3.47Å
287Q98.3Very high95.3Very high26 Ų2661.2 Ų61.212%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-134.1126.1171-171.6-178.887.800109.6Y301 L302 S311 T313 T315 P463 K464 P465 Y466Q287-Y301 HydrophobicContact CG-CD1 3.7Å; Q287-Y301 HydrophobicContact CG-CG 4.04Å; Q287-L302 VanDerWaalsContact OE1-CD1 3.3Å; Q287-L302 VanDerWaalsContact OE1-CG 3.24Å; Q287-S311 PolarHBondContact NE2-O 3Å; Q287-S311 VanDerWaalsContact NE2-O 3.07Å; Q287-T313 PolarHBondContact NE2-O 3.15Å; Q287-T315 VanDerWaalsContact CA-OG1 3.32Å; Q287-T315 WeakPolarHBondContact CA-OG1 3.29Å; Q287-T315 HydrophobicContact CG-CG2 4.3Å; Q287-P463 HydrophobicContact CB-CB 3.8Å; Q287-P463 HydrophobicContact CB-CG 4.43Å; Q287-K464 PolarHBondContact N-O 3.44Å; Q287-P465 WeakPolarHBondContact O-CA 3.49Å; Q287-Y466 PolarHBondContact O-N 2.68Å
288Y97.9Very high95.2Very high2 Ų257.1 Ų57.11%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-73.4138.7-17463.4-96000112.4I219 G300 Y301 E304 T315 K339 R340 Y466I219-Y288 WeakPolarHBondContact CG1-OH 3.34Å; Y288-G300 VanDerWaalsContact CE2-C 3.46Å; Y288-Y301 VanDerWaalsContact CD2-N 3.32Å; Y288-Y301 AromaticContact CE1-CD2 3.98Å; Y288-Y301 HydrophobicContact CE1-CD2 3.98Å; Y288-Y301 HydrophobicContact CE1-CG 4.37Å; Y288-Y301 VanDerWaalsContact CE2-CA 3.43Å; Y288-Y301 AromaticContact CZ-CD2 3.96Å; Y288-Y301 PolarHBondContact O-N 2.92Å; Y288-E304 VanDerWaalsContact OH-CD 3.3Å; Y288-E304 PolarHBondContact OH-OE1 3.05Å; Y288-T315 HydrophobicContact CD1-CG2 3.77Å; Y288-T315 VanDerWaalsContact CD1-OG1 3.26Å; Y288-T315 WeakPolarHBondContact CD1-OG1 3.33Å; Y288-T315 HydrophobicContact CE1-CG2 3.64Å; Y288-T315 PolarHBondContact N-OG1 2.71Å; Y288-K339 HydrophobicContact CE1-CB 4.4Å; Y288-R340 HydrophobicContact CD1-CB 4.05Å; Y288-R340 HydrophobicContact CD1-CG 3.81Å; Y288-R340 HydrophobicContact CD2-CB 4.31Å; Y288-R340 HydrophobicContact CD2-CG 3.76Å; Y288-R340 HydrophobicContact CE1-CG 3.9Å; Y288-R340 HydrophobicContact CE2-CG 3.81Å; Y288-R340 HydrophobicContact CG-CB 3.94Å; Y288-R340 HydrophobicContact CG-CG 3.78Å; Y288-Y466 CarbonylContact C-O 3.59Å; Y288-Y466 WeakPolarHBondContact CA-O 3.17Å
289T97.8Very high95.2Very high61 Ų6158.4 Ų58.437%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-100171.7171.164.90000110.6G291 G300 P465 Y466 A468T289-G291 PolarHBondContact O-N 3.25Å; T289-G300 VanDerWaalsContact C-CA 3.42Å; T289-P465 HydrophobicContact CG2-CB 3.74Å; T289-Y466 PolarHBondContact N-O 3.36Å; T289-Y466 PolarHBondContact OG1-O 3.21Å; T289-A468 WeakPolarHBondContact O-CB 3.49Å; T289-A468 PolarHBondContact O-N 3.34Å; T289-A468 VanDerWaalsContact O-N 3.09Å
290A97.1Very high95.1Very high32 Ų3258.5 Ų58.526%0.26430%0.297SS..SBendtrans-52141.217500000111.4V298 G300 Q467A290-V298 WeakPolarHBondContact CA-O 3.07Å; A290-G300 VanDerWaalsContact N-CA 3.34Å; A290-Q467 WeakPolarHBondContact O-CG 3.17Å
291G96.1Very high95.2Very high3 Ų349.6 Ų49.63%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-168.6-155.4-174.400000112.6T289 K297 V298T289-G291 PolarHBondContact O-N 3.25Å; G291-K297 WeakPolarHBondContact O-CA 3.4Å; G291-V298 PolarHBondContact N-O 3.38Å; G291-V298 VanDerWaalsContact N-O 3.14Å; G291-V298 PolarHBondContact O-N 2.97Å
292F93.9Very high95.3Very high132 Ų13248 Ų4858%0.57926%0.257SS*.EExtended strand (participates in β ladder)trans-124.2122.5178-70-90.3000109.1K296 K297 A468 G469F292-K296 CarbonylContact C-O 3.59Å; F292-K296 VanDerWaalsContact CA-O 3.3Å; F292-K296 WeakPolarHBondContact CA-O 3.27Å; F292-K297 HydrophobicContact CD1-CB 4.42Å; F292-K297 HydrophobicContact CE1-CB 4.13Å; F292-A468 PolarHBondContact N-O 2.88Å; F292-A468 VanDerWaalsContact N-O 3.13Å; F292-A468 VanDerWaalsContact O-O 3.09Å; F292-G469 WeakPolarHBondContact O-CA 3.23Å
293A88.3Confident95.2Very high9 Ų952.5 Ų52.57%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-124.1131.8172.900000108.3G295 K296 V298A293-G295 PolarHBondContact O-N 3.12Å; A293-K296 PolarHBondContact N-O 3.35Å; A293-K296 PolarHBondContact O-N 3.37Å; A293-V298 HydrophobicContact CB-CG1 4.16Å; A293-V298 HydrophobicContact CB-CG2 3.88Å
294Q84.6Confident94.9Very high147 Ų14752.9 Ų52.969%0.68728%0.28SS*.THydrogen-bonded Turntrans49.642.5-178.5-58.4177.6-17.400113E216 K296E216-Q294 PolarHBondContact OE2-NE2 2.91Å; Q294-K296 PolarHBondContact O-N 3.47Å
295G87.5Confident94.5Very high76 Ų7661.2 Ų61.278%0.78432%0.318SS*.THydrogen-bonded Turntrans723.9-179.800000115.8A293A293-G295 PolarHBondContact O-N 3.12Å
296K92.9Very high94Very high152 Ų15263.1 Ų63.166%0.66135%0.347SS*.EExtended strand (participates in β ladder)trans-113.2142.7179.6-64.5178.2-175.5173.40111F292 A293 Q294 V298F292-K296 CarbonylContact C-O 3.59Å; F292-K296 VanDerWaalsContact CA-O 3.3Å; F292-K296 WeakPolarHBondContact CA-O 3.27Å; A293-K296 PolarHBondContact N-O 3.35Å; A293-K296 PolarHBondContact O-N 3.37Å; Q294-K296 PolarHBondContact O-N 3.47Å; K296-V298 PolarHBondContact O-N 3.14Å
297K95.5Very high93.7Very high170 Ų17063.8 Ų63.874%0.73935%0.353SS*.EExtended strand (participates in β ladder)trans-66.1130.5170.5-171.9179.4-179.3-178.90109.1G291 F292G291-K297 WeakPolarHBondContact O-CA 3.4Å; F292-K297 HydrophobicContact CD1-CB 4.42Å; F292-K297 HydrophobicContact CE1-CB 4.13Å
298V95.6Very high93.5Very high18 Ų1866 Ų6611%0.10937%0.366CS..EExtended strand (participates in β ladder)trans-129.6145.9-179.7-65.70000110.8A290 G291 A293 K296 A468A290-V298 WeakPolarHBondContact CA-O 3.07Å; G291-V298 PolarHBondContact N-O 3.38Å; G291-V298 VanDerWaalsContact N-O 3.14Å; G291-V298 PolarHBondContact O-N 2.97Å; A293-V298 HydrophobicContact CB-CG1 4.16Å; A293-V298 HydrophobicContact CB-CG2 3.88Å; K296-V298 PolarHBondContact O-N 3.14Å; V298-A468 HydrophobicContact CG2-CB 3.56Å
299P95.6Very high93.3Very high52 Ų5272.3 Ų72.334%0.33839%0.393SS..  trans-69.3158.118030.1-36.1000111.8E303 E304P299-E303 HydrophobicContact CB-CB 3.87Å; P299-E304 HydrophobicContact CG-CG 4.14Å
300G96.2Very high93.1Very high2 Ų273.5 Ų73.52%0.02140%0.404CS..  trans-7016516600000112.7Y288 T289 A290 L302 E303 E304Y288-G300 VanDerWaalsContact CE2-C 3.46Å; T289-G300 VanDerWaalsContact C-CA 3.42Å; A290-G300 VanDerWaalsContact N-CA 3.34Å; G300-L302 VanDerWaalsContact C-N 3.3Å; G300-L302 PolarHBondContact O-N 3.07Å; G300-E303 PolarHBondContact N-OE2 2.88Å; G300-E303 CarbonylContact O-C 3.46Å; G300-E303 WeakPolarHBondContact O-CA 3.45Å; G300-E303 WeakPolarHBondContact O-CB 3.31Å; G300-E303 PolarHBondContact O-N 3.13Å; G300-E304 WeakPolarHBondContact O-CG 3.33Å; G300-E304 PolarHBondContact O-N 2.98Å; G300-E304 VanDerWaalsContact O-N 3.15Å
301Y97.1Very high93Very high0 Ų072.4 Ų72.40%039%0.394CS..G310 helixtrans-58.7-42-178175.7-104.6000112.5I219 W223 F226 D227 Q287 Y288 E303 T315I219-Y301 HydrophobicContact CD1-CD2 4.19Å; I219-Y301 HydrophobicContact CD1-CE2 3.93Å; I219-Y301 HydrophobicContact CG1-CD2 3.72Å; I219-Y301 HydrophobicContact CG1-CE2 3.64Å; W223-Y301 AromaticContact CD1-CE2 3.97Å; W223-Y301 AromaticContact CE2-CZ 3.73Å; W223-Y301 AromaticContact CZ2-CE1 3.75Å; W223-Y301 HydrophobicContact CZ2-CE1 3.75Å; W223-Y301 AromaticContact CZ2-CZ 3.81Å; W223-Y301 AromaticContact NE1-CD2 3.91Å; W223-Y301 AromaticContact NE1-CE1 3.83Å; W223-Y301 AromaticContact NE1-CE2 3.54Å; W223-Y301 AromaticContact NE1-CZ 3.49Å; W223-Y301 PolarHBondContact NE1-O 3.18Å; W223-Y301 VanDerWaalsContact NE1-O 3.1Å; F226-Y301 AromaticContact CD1-CE2 3.86Å; F226-Y301 HydrophobicContact CD1-CE2 3.86Å; F226-Y301 HydrophobicContact CE1-CE2 4.27Å; D227-Y301 WeakPolarHBondContact CA-OH 3.36Å; D227-Y301 WeakPolarHBondContact CB-OH 3.39Å; D227-Y301 PolarHBondContact OD1-OH 3.07Å; D227-Y301 VanDerWaalsContact OD1-OH 3.09Å; Q287-Y301 HydrophobicContact CG-CD1 3.7Å; Q287-Y301 HydrophobicContact CG-CG 4.04Å; Y288-Y301 VanDerWaalsContact CD2-N 3.32Å; Y288-Y301 AromaticContact CE1-CD2 3.98Å; Y288-Y301 HydrophobicContact CE1-CD2 3.98Å; Y288-Y301 HydrophobicContact CE1-CG 4.37Å; Y288-Y301 VanDerWaalsContact CE2-CA 3.43Å; Y288-Y301 AromaticContact CZ-CD2 3.96Å; Y288-Y301 PolarHBondContact O-N 2.92Å; Y301-E303 PolarHBondContact O-N 2.82Å; Y301-T315 HydrophobicContact CD1-CG2 4.21Å; Y301-T315 HydrophobicContact CD2-CG2 3.38Å; Y301-T315 HydrophobicContact CE2-CG2 3.8Å; Y301-T315 HydrophobicContact CG-CG2 3.6Å
302L96.6Very high93Very high48 Ų4876.6 Ų76.625%0.25142%0.416SS..G310 helixtrans-76.2-10.6175.4-58.5179.5000112.5Q287 G300 N308 K309Q287-L302 VanDerWaalsContact OE1-CD1 3.3Å; Q287-L302 VanDerWaalsContact OE1-CG 3.24Å; G300-L302 VanDerWaalsContact C-N 3.3Å; G300-L302 PolarHBondContact O-N 3.07Å; L302-N308 WeakPolarHBondContact CD2-O 3.24Å; L302-K309 WeakPolarHBondContact O-CD 3.3Å; L302-K309 VanDerWaalsContact O-CE 3.31Å; L302-K309 WeakPolarHBondContact O-CE 3.26Å; L302-K309 PolarHBondContact O-NZ 3.21Å
303E95.3Very high93.1Very high114 Ų11471.1 Ų71.153%0.53339%0.394SS..G310 helixtrans-96.6-10.4179.2-64.2171.6-173.200112.8P299 G300 Y301P299-E303 HydrophobicContact CB-CB 3.87Å; G300-E303 PolarHBondContact N-OE2 2.88Å; G300-E303 CarbonylContact O-C 3.46Å; G300-E303 WeakPolarHBondContact O-CA 3.45Å; G300-E303 WeakPolarHBondContact O-CB 3.31Å; G300-E303 PolarHBondContact O-N 3.13Å; Y301-E303 PolarHBondContact O-N 2.82Å
304E92.3Very high93.5Very high19 Ų1971.3 Ų71.39%0.08939%0.393CS..SBendtrans-61.8155.2177.4-62.4-151.4-177.200112.3I219 Y288 P299 G300 G306 A307I219-E304 WeakPolarHBondContact CB-OE2 3.48Å; Y288-E304 VanDerWaalsContact OH-CD 3.3Å; Y288-E304 PolarHBondContact OH-OE1 3.05Å; P299-E304 HydrophobicContact CG-CG 4.14Å; G300-E304 WeakPolarHBondContact O-CG 3.33Å; G300-E304 PolarHBondContact O-N 2.98Å; G300-E304 VanDerWaalsContact O-N 3.15Å; E304-G306 PolarHBondContact O-N 3.15Å; E304-A307 WeakPolarHBondContact O-CB 3.32Å; E304-A307 PolarHBondContact O-N 2.82Å; E304-A307 VanDerWaalsContact O-N 3.11Å
305E89.6Confident94.1Very high190 Ų19064.3 Ų64.389%0.88836%0.36SS*.THydrogen-bonded Turntrans-60.7130.8178.4-171178.2176.300110.6A307E305-A307 VanDerWaalsContact C-N 3.27Å; E305-A307 PolarHBondContact O-N 2.98Å
306G88Confident94.6Very high72 Ų7260.7 Ų60.774%0.74232%0.323SS*.THydrogen-bonded Turntrans76.16-177.100000115.3E304E304-G306 PolarHBondContact O-N 3.15Å
307A92.3Very high94.9Very high15 Ų1553.5 Ų53.512%0.12429%0.291CS..  trans-67.9134-17800000113.7W223 E304 E305 K309W223-A307 HydrophobicContact CD2-CB 4.09Å; W223-A307 VanDerWaalsContact CE2-CA 3.47Å; W223-A307 HydrophobicContact CG-CB 4.34Å; W223-A307 HydrophobicContact CZ2-CB 3.97Å; E304-A307 WeakPolarHBondContact O-CB 3.32Å; E304-A307 PolarHBondContact O-N 2.82Å; E304-A307 VanDerWaalsContact O-N 3.11Å; E305-A307 VanDerWaalsContact C-N 3.27Å; E305-A307 PolarHBondContact O-N 2.98Å; A307-K309 PolarHBondContact O-N 2.87Å
308N93.5Very high95.1Very high72 Ų7245.4 Ų45.439%0.38526%0.256SS..  trans-73.7110.6162.416819.5000109W223 L302 S310 S311W223-N308 HydrophobicContact CH2-CB 3.4Å; W223-N308 VanDerWaalsContact CH2-CB 3.4Å; W223-N308 HydrophobicContact CZ2-CB 4.26Å; W223-N308 VanDerWaalsContact CZ2-N 3.34Å; W223-N308 HydrophobicContact CZ3-CB 3.78Å; L302-N308 WeakPolarHBondContact CD2-O 3.24Å; N308-S310 PolarHBondContact ND2-OG 3.22Å; N308-S310 PolarHBondContact O-N 3.37Å; N308-S310 PolarHBondContact OD1-N 3.35Å; N308-S310 PolarHBondContact OD1-OG 3.19Å; N308-S311 WeakPolarHBondContact O-CB 3.26Å; N308-S311 PolarHBondContact O-N 2.89Å
309K93.9Very high95.2Very high135 Ų13544.5 Ų44.559%0.58725%0.251SS*.THydrogen-bonded Turntrans-63.2-11.7-177.4-52.7-57.7-179.6179.20114.4L302 A307L302-K309 WeakPolarHBondContact O-CD 3.3Å; L302-K309 VanDerWaalsContact O-CE 3.31Å; L302-K309 WeakPolarHBondContact O-CE 3.26Å; L302-K309 PolarHBondContact O-NZ 3.21Å; A307-K309 PolarHBondContact O-N 2.87Å
310S93.9Very high95.4Very high86 Ų8643.5 Ų43.560%0.60124%0.24SC*.THydrogen-bonded Turntrans-1039.2177.966.10000113.7N308 N312N308-S310 PolarHBondContact ND2-OG 3.22Å; N308-S310 PolarHBondContact O-N 3.37Å; N308-S310 PolarHBondContact OD1-N 3.35Å; N308-S310 PolarHBondContact OD1-OG 3.19Å; S310-N312 PolarHBondContact O-N 2.97Å
311S95.2Very high95.5Very high8 Ų843.4 Ų43.46%0.05624%0.24CC..  trans-66.6132.5-178.8172.70000112.7D227 Q287 N308 T313D227-S311 VanDerWaalsContact OD1-CB 3.25Å; D227-S311 WeakPolarHBondContact OD1-CB 3.31Å; D227-S311 PolarHBondContact OD1-OG 2.93Å; Q287-S311 PolarHBondContact NE2-O 3Å; Q287-S311 VanDerWaalsContact NE2-O 3.07Å; N308-S311 WeakPolarHBondContact O-CB 3.26Å; N308-S311 PolarHBondContact O-N 2.89Å; S311-T313 VanDerWaalsContact OG-CB 3.31Å; S311-T313 WeakPolarHBondContact OG-CB 3.28Å; S311-T313 PolarHBondContact OG-N 3Å; S311-T313 PolarHBondContact OG-OG1 3.29Å; S311-T313 VanDerWaalsContact OG-OG1 3.1Å
312N94.5Very high95.6Very high91 Ų9144.2 Ų44.249%0.48724%0.244SC..  trans-102.518.2170.7-69.4-38000112.1S310 E314 P463S310-N312 PolarHBondContact O-N 2.97Å; N312-E314 PolarHBondContact O-N 3.27Å; N312-P463 WeakPolarHBondContact O-CG 3.34Å
313T95.9Very high95.7Very high18 Ų1842 Ų4211%0.1123%0.233CC..  trans-69.5131.2-179.2-59.90000110.6F226 D227 G230 Q287 S311F226-T313 HydrophobicContact CD1-CG2 4.38Å; F226-T313 HydrophobicContact CE1-CG2 4.25Å; D227-T313 PolarHBondContact O-OG1 3.01Å; D227-T313 WeakPolarHBondContact OD1-CB 3.44Å; D227-T313 PolarHBondContact OD1-OG1 3.36Å; G230-T313 VanDerWaalsContact CA-CG2 3.47Å; Q287-T313 PolarHBondContact NE2-O 3.15Å; S311-T313 VanDerWaalsContact OG-CB 3.31Å; S311-T313 WeakPolarHBondContact OG-CB 3.28Å; S311-T313 PolarHBondContact OG-N 3Å; S311-T313 PolarHBondContact OG-OG1 3.29Å; S311-T313 VanDerWaalsContact OG-OG1 3.1Å
314E97.3Very high95.8Very high13 Ų1340.5 Ų40.56%0.06123%0.228CC..  trans-77.9129.3176.875.4-63.616100111.6G230 Q231 M232 R285 G286 N312 V317 W456G230-E314 VanDerWaalsContact CA-OE1 3.3Å; G230-E314 WeakPolarHBondContact CA-OE1 3.35Å; Q231-E314 HydrophobicContact CB-CG 4.28Å; Q231-E314 PolarHBondContact N-O 3.37Å; Q231-E314 PolarHBondContact N-OE1 3.05Å; Q231-E314 VanDerWaalsContact N-OE1 3.15Å; M232-E314 VanDerWaalsContact CB-OE1 3.26Å; M232-E314 WeakPolarHBondContact CB-OE1 3.29Å; M232-E314 PolarHBondContact N-OE1 3.43Å; R285-E314 HydrophobicContact CB-CB 4.01Å; R285-E314 HydrophobicContact CG-CB 4.03Å; R285-E314 HydrophobicContact CG-CG 4.32Å; G286-E314 CarbonylContact O-C 3.57Å; G286-E314 WeakPolarHBondContact O-CA 3.43Å; N312-E314 PolarHBondContact O-N 3.27Å; E314-V317 HydrophobicContact CB-CG2 4.22Å; E314-V317 HydrophobicContact CG-CG2 3.33Å; E314-W456 HydrophobicContact CG-CZ3 4.42Å
315T98Very high96Very high0 Ų041.4 Ų41.40%023%0.233CC..SBendtrans-101.8-4.617166.30000112F226 G286 Q287 Y288 Y301 G338 K339 Y466F226-T315 HydrophobicContact CE1-CG2 4.06Å; G286-T315 PolarHBondContact O-N 2.71Å; Q287-T315 VanDerWaalsContact CA-OG1 3.32Å; Q287-T315 WeakPolarHBondContact CA-OG1 3.29Å; Q287-T315 HydrophobicContact CG-CG2 4.3Å; Y288-T315 HydrophobicContact CD1-CG2 3.77Å; Y288-T315 VanDerWaalsContact CD1-OG1 3.26Å; Y288-T315 WeakPolarHBondContact CD1-OG1 3.33Å; Y288-T315 HydrophobicContact CE1-CG2 3.64Å; Y288-T315 PolarHBondContact N-OG1 2.71Å; Y301-T315 HydrophobicContact CD1-CG2 4.21Å; Y301-T315 HydrophobicContact CD2-CG2 3.38Å; Y301-T315 HydrophobicContact CE2-CG2 3.8Å; Y301-T315 HydrophobicContact CG-CG2 3.6Å; T315-G338 CarbonylContact O-C 3.55Å; T315-G338 WeakPolarHBondContact O-CA 3.21Å; T315-K339 PolarHBondContact O-N 3.29Å; T315-Y466 PolarHBondContact O-OH 2.72Å; T315-Y466 WeakPolarHBondContact OG1-CE1 3.32Å; T315-Y466 PolarHBondContact OG1-OH 2.73Å
316F98.5Very high96.3Very high0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-142.3139.2175.9175.4-81.2000109.3R285 G286 A318 R336 T337 L341 Y466 P473 S476R285-F316 WeakPolarHBondContact CA-O 3.01Å; G286-F316 PolarHBondContact N-O 2.96Å; G286-F316 PolarHBondContact O-N 2.94Å; F316-A318 HydrophobicContact CE1-CB 3.76Å; F316-A318 HydrophobicContact CZ-CB 4.08Å; F316-R336 HydrophobicContact CE2-CG 3.72Å; F316-R336 HydrophobicContact CZ-CG 3.7Å; F316-T337 CarbonylContact C-O 3.45Å; F316-T337 VanDerWaalsContact CA-O 3.32Å; F316-T337 WeakPolarHBondContact CA-O 3.18Å; F316-T337 WeakPolarHBondContact CD2-O 3.44Å; F316-L341 HydrophobicContact CD2-CD1 4.35Å; F316-L341 HydrophobicContact CD2-CD2 4Å; F316-L341 HydrophobicContact CE2-CD1 4.37Å; F316-L341 HydrophobicContact CE2-CD2 4.24Å; F316-Y466 HydrophobicContact CB-CD1 4.28Å; F316-Y466 HydrophobicContact CB-CE1 3.46Å; F316-Y466 VanDerWaalsContact CB-CE1 3.46Å; F316-Y466 HydrophobicContact CG-CE1 4.36Å; F316-P473 VanDerWaalsContact CD1-CD 3.47Å; F316-P473 HydrophobicContact CD1-CG 4.22Å; F316-S476 WeakPolarHBondContact CZ-OG 3.35Å
317V98.6Very high96.7Very high0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-137.6131173.6175.20000109.2Q231 M232 I236 V284 E314 I319 R336 T337 W456Q231-V317 HydrophobicContact CB-CG2 4.07Å; M232-V317 HydrophobicContact SD-CG1 4.36Å; I236-V317 HydrophobicContact CD1-CG1 4.4Å; I236-V317 HydrophobicContact CG1-CB 4.33Å; I236-V317 HydrophobicContact CG1-CG1 4.05Å; V284-V317 WeakPolarHBondContact O-CA 3.4Å; E314-V317 HydrophobicContact CB-CG2 4.22Å; E314-V317 HydrophobicContact CG-CG2 3.33Å; V317-I319 HydrophobicContact CG1-CD1 3.76Å; V317-I319 HydrophobicContact CG1-CG1 3.55Å; V317-R336 WeakPolarHBondContact O-CA 3.45Å; V317-T337 HydrophobicContact CB-CG2 4.47Å; V317-T337 PolarHBondContact N-O 3.21Å; V317-T337 PolarHBondContact O-N 3.32Å; V317-W456 HydrophobicContact CG1-CH2 4.04Å; V317-W456 HydrophobicContact CG1-CZ2 4.47Å; V317-W456 HydrophobicContact CG2-CH2 3.92Å
318A98.6Very high97Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-120.7138.8162.100000110.2T283 V284 F316 L335 S476 M479 W487T283-A318 CarbonylContact C-O 3.5Å; T283-A318 WeakPolarHBondContact CA-O 3.4Å; V284-A318 HydrophobicContact CB-CB 4.36Å; V284-A318 PolarHBondContact N-O 3.09Å; V284-A318 PolarHBondContact O-N 3.12Å; F316-A318 HydrophobicContact CE1-CB 3.76Å; F316-A318 HydrophobicContact CZ-CB 4.08Å; A318-L335 CarbonylContact C-O 3.54Å; A318-L335 WeakPolarHBondContact CA-O 3.38Å; A318-S476 VanDerWaalsContact CB-OG 3.29Å; A318-S476 WeakPolarHBondContact CB-OG 3.38Å; A318-M479 HydrophobicContact CB-CE 3.77Å; A318-W487 HydrophobicContact CB-CZ2 4.14Å
319I98.7Very high97.2Very high0 Ų041.9 Ų41.90%021%0.207CC..EExtended strand (participates in β ladder)trans-137.1132.3-177.5-49.2177.8000109.8M232 I236 I274 K282 T283 V317 V321 Y334 L335 W448 I452M232-I319 HydrophobicContact CE-CD1 4.08Å; M232-I319 HydrophobicContact SD-CD1 3.92Å; I236-I319 HydrophobicContact CD1-CD1 4.36Å; I236-I319 HydrophobicContact CG1-CD1 4.34Å; I236-I319 HydrophobicContact CG2-CD1 3.98Å; I274-I319 HydrophobicContact CD1-CG2 3.6Å; K282-I319 CarbonylContact O-C 3.59Å; K282-I319 WeakPolarHBondContact O-CA 3.45Å; T283-I319 HydrophobicContact CG2-CG1 4.32Å; T283-I319 HydrophobicContact CG2-CG2 4.11Å; V317-I319 HydrophobicContact CG1-CD1 3.76Å; V317-I319 HydrophobicContact CG1-CG1 3.55Å; I319-V321 HydrophobicContact CB-CG2 4.29Å; I319-V321 HydrophobicContact CG2-CG2 3.77Å; I319-Y334 CarbonylContact O-C 3.59Å; I319-Y334 WeakPolarHBondContact O-CA 3.26Å; I319-L335 HydrophobicContact CB-CB 4.41Å; I319-L335 PolarHBondContact N-O 2.97Å; I319-L335 PolarHBondContact O-N 2.71Å; I319-W448 HydrophobicContact CD1-CH2 4.12Å; I319-W448 HydrophobicContact CD1-CZ3 4.35Å; I319-W448 HydrophobicContact CG2-CH2 3.91Å; I319-W448 HydrophobicContact CG2-CZ2 4.32Å; I319-I452 HydrophobicContact CD1-CD1 4.32Å
320R98.6Very high97.4Very high30 Ų3038.7 Ų38.711%0.11321%0.213CC..EExtended strand (participates in β ladder)trans-89.9113.3162.5-179.2-174.6-176.8-75.30.5108.7K282 D322 P332 Y334 M479 D483K282-R320 HydrophobicContact CD-CB 4.31Å; K282-R320 HydrophobicContact CD-CG 4.37Å; K282-R320 PolarHBondContact O-N 2.93Å; R320-D322 IonicContact CZ-OD1 3.34Å; R320-D322 IonicContact CZ-OD2 2.66Å; R320-D322 IonicContact NH1-OD1 2.72Å; R320-D322 PolarHBondContact NH1-OD1 2.89Å; R320-D322 IonicContact NH1-OD2 3.14Å; R320-D322 PolarHBondContact NH1-OD2 3.47Å; R320-D322 IonicContact NH2-OD1 3.31Å; R320-P332 HydrophobicContact CG-CB 4.13Å; R320-Y334 HydrophobicContact CB-CD1 4.03Å; R320-Y334 HydrophobicContact CB-CE1 3.85Å; R320-Y334 HydrophobicContact CG-CD1 4.21Å; R320-Y334 HydrophobicContact CG-CE1 3.69Å; R320-M479 HydrophobicContact CB-SD 4.27Å; R320-D483 IonicContact CZ-OD2 3.79Å; R320-D483 VanDerWaalsContact CZ-OD2 3.31Å; R320-D483 IonicContact NE-OD1 2.87Å; R320-D483 IonicContact NE-OD2 3.89Å; R320-D483 PolarHBondContact NE-OD2 3.09Å; R320-D483 IonicContact NH2-OD2 3.52Å; R320-D483 PolarHBondContact NH2-OD2 3.5Å; R320-D483 VanDerWaalsContact NH2-OD2 3.11Å
321V98.8Very high97.6Very high1 Ų134.7 Ų34.71%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-103.4130.6-179.1-174.60000109.1L244 L271 I319 F333 L335 W448L244-V321 HydrophobicContact CD1-CB 4.27Å; L244-V321 HydrophobicContact CD1-CG1 3.96Å; L244-V321 HydrophobicContact CD1-CG2 4.36Å; L271-V321 HydrophobicContact CD2-CG1 3.73Å; I319-V321 HydrophobicContact CB-CG2 4.29Å; I319-V321 HydrophobicContact CG2-CG2 3.77Å; V321-F333 HydrophobicContact CB-CB 4.04Å; V321-F333 PolarHBondContact N-O 3.35Å; V321-F333 PolarHBondContact O-N 2.9Å; V321-L335 HydrophobicContact CG2-CD1 3.8Å; V321-L335 HydrophobicContact CG2-CG 3.91Å; V321-W448 HydrophobicContact CB-CZ2 4.48Å; V321-W448 HydrophobicContact CG1-CH2 4.48Å; V321-W448 HydrophobicContact CG1-CZ2 4.06Å; V321-W448 HydrophobicContact CG2-CH2 3.64Å; V321-W448 HydrophobicContact CG2-CZ2 3.86Å
322D98.7Very high97.7Very high17 Ų1734.3 Ų34.39%0.09118%0.182CC..  trans-107.7136.1169.9-60.7-75.3000108.8R272 K282 R320R272-D322 HydrophobicContact CB-CB 3.91Å; R272-D322 WeakPolarHBondContact CB-O 3.47Å; R272-D322 PolarHBondContact N-O 2.67Å; K282-D322 IonicContact NZ-OD2 3.66Å; R320-D322 IonicContact CZ-OD1 3.34Å; R320-D322 IonicContact CZ-OD2 2.66Å; R320-D322 IonicContact NH1-OD1 2.72Å; R320-D322 PolarHBondContact NH1-OD1 2.89Å; R320-D322 IonicContact NH1-OD2 3.14Å; R320-D322 PolarHBondContact NH1-OD2 3.47Å; R320-D322 IonicContact NH2-OD1 3.31Å
323I98.7Very high97.9Very high2 Ų230 Ų301%0.0116%0.159CC..BIsolated β-bridgetrans-112108.7177.5-49.2179.9000108.3L244 A248 V267 S270 L271 N325 W328 F333L244-I323 HydrophobicContact CD2-CD1 4.01Å; A248-I323 HydrophobicContact CB-CD1 3.58Å; V267-I323 HydrophobicContact CG1-CD1 4.2Å; S270-I323 CarbonylContact O-C 3.58Å; S270-I323 WeakPolarHBondContact O-CA 3.05Å; L271-I323 HydrophobicContact CD2-CD1 4.47Å; L271-I323 HydrophobicContact CD2-CG1 3.94Å; I323-N325 VanDerWaalsContact C-N 3.27Å; I323-N325 WeakPolarHBondContact CG2-ND2 3.37Å; I323-N325 PolarHBondContact O-N 2.89Å; I323-W328 HydrophobicContact CB-CB 3.84Å; I323-W328 HydrophobicContact CB-CG 4.36Å; I323-W328 HydrophobicContact CD1-CG 4.35Å; I323-W328 HydrophobicContact CG2-CB 4.31Å; I323-F333 HydrophobicContact CD1-CD2 3.78Å; I323-F333 HydrophobicContact CD1-CE1 4.43Å; I323-F333 HydrophobicContact CD1-CE2 3.6Å; I323-F333 HydrophobicContact CD1-CG 4.29Å; I323-F333 HydrophobicContact CD1-CZ 3.95Å; I323-F333 HydrophobicContact CG1-CD2 4.17Å; I323-F333 HydrophobicContact CG1-CE2 4.31Å
324D98Very high98.1Very high82 Ų8229.1 Ų29.144%0.43915%0.154SC..  trans-81.667.8-173.5-70.8-26.7000111.7S270 R272S270-D324 PolarHBondContact O-N 3.5Å; R272-D324 WeakPolarHBondContact CB-OD2 3.46Å; R272-D324 WeakPolarHBondContact CG-OD2 3.22Å; R272-D324 IonicContact CZ-OD1 2.79Å; R272-D324 VanDerWaalsContact CZ-OD1 3.3Å; R272-D324 IonicContact CZ-OD2 3.22Å; R272-D324 IonicContact NE-OD1 3.94Å; R272-D324 PolarHBondContact NE-OD1 3.11Å; R272-D324 VanDerWaalsContact NE-OD1 3.07Å; R272-D324 IonicContact NE-OD2 3.81Å; R272-D324 PolarHBondContact NE-OD2 2.86Å; R272-D324 IonicContact NH2-OD1 3.44Å; R272-D324 PolarHBondContact NH2-OD1 3.06Å; R272-D324 IonicContact NH2-OD2 2.67Å
325N97.1Very high98.1Very high38 Ų3828.5 Ų28.520%0.20315%0.151CC..SBendtrans-141.1169.2170.572.237.1000112.3I323 R327 W328 A329I323-N325 VanDerWaalsContact C-N 3.27Å; I323-N325 WeakPolarHBondContact CG2-ND2 3.37Å; I323-N325 PolarHBondContact O-N 2.89Å; N325-R327 VanDerWaalsContact C-N 3.27Å; N325-R327 PolarHBondContact O-N 3.48Å; N325-R327 WeakPolarHBondContact OD1-CB 3.29Å; N325-R327 PolarHBondContact OD1-N 3.14Å; N325-W328 PolarHBondContact O-N 3.29Å; N325-W328 PolarHBondContact OD1-N 3.11Å; N325-A329 WeakPolarHBondContact O-CB 3.33Å; N325-A329 PolarHBondContact O-N 3.13Å
326W95.7Very high98.2Very high248 Ų24828.9 Ų28.994%0.93915%0.152SC*.THydrogen-bonded Turntrans-58.4-34-176.4-71.1101.7000114.6N203N203-W326 PolarHBondContact ND2-O 3.02Å; N203-W326 VanDerWaalsContact ND2-O 3.11Å
327R96.9Very high98.1Very high57 Ų5728.9 Ų28.922%0.21515%0.152CC..THydrogen-bonded Turntrans-72.1-39.5-178.1-179.5-179.7-67.4-79.4-2111.6W201 D202 N203 N325W201-R327 WeakPolarHBondContact O-CD 3.46Å; W201-R327 PolarHBondContact O-NH1 3.18Å; D202-R327 HydrophobicContact CB-CG 3.8Å; N203-R327 WeakPolarHBondContact CB-O 3.27Å; N203-R327 PolarHBondContact N-O 3.32Å; N325-R327 VanDerWaalsContact C-N 3.27Å; N325-R327 PolarHBondContact O-N 3.48Å; N325-R327 WeakPolarHBondContact OD1-CB 3.29Å; N325-R327 PolarHBondContact OD1-N 3.14Å
328W98.3Very high98.1Very high1 Ų128.9 Ų28.90%0.00415%0.152CC..THydrogen-bonded Turntrans-113.41-167.9-63.9114.8000114.7W201 I206 V209 A248 I323 N325 G330 V331 F333W201-W328 AromaticContact CD1-CH2 3.64Å; W201-W328 AromaticContact CD1-CZ2 3.64Å; W201-W328 AromaticContact NE1-CH2 3.65Å; W201-W328 AromaticContact NE1-CZ2 3.74Å; I206-W328 HydrophobicContact CB-CZ3 4.35Å; I206-W328 HydrophobicContact CD1-CH2 3.65Å; I206-W328 HydrophobicContact CD1-CZ3 3.72Å; I206-W328 HydrophobicContact CG2-CZ3 4.2Å; V209-W328 HydrophobicContact CG2-CZ3 4.4Å; A248-W328 HydrophobicContact CB-CZ2 4.37Å; A248-W328 PolarHBondContact O-NE1 3.48Å; I323-W328 HydrophobicContact CB-CB 3.84Å; I323-W328 HydrophobicContact CB-CG 4.36Å; I323-W328 HydrophobicContact CD1-CG 4.35Å; I323-W328 HydrophobicContact CG2-CB 4.31Å; N325-W328 PolarHBondContact O-N 3.29Å; N325-W328 PolarHBondContact OD1-N 3.11Å; W328-G330 PolarHBondContact O-N 2.69Å; W328-G330 VanDerWaalsContact O-N 3.08Å; W328-V331 HydrophobicContact CE3-CB 4.06Å; W328-V331 HydrophobicContact CE3-CG1 3.93Å; W328-V331 HydrophobicContact CE3-CG2 4.38Å; W328-V331 HydrophobicContact CZ3-CG1 4.15Å; W328-V331 PolarHBondContact O-N 3.04Å; W328-F333 HydrophobicContact CB-CE2 4.48Å; W328-F333 AromaticContact CD2-CE2 3.66Å; W328-F333 HydrophobicContact CD2-CE2 3.66Å; W328-F333 AromaticContact CD2-CZ 3.73Å; W328-F333 HydrophobicContact CD2-CZ 3.73Å; W328-F333 AromaticContact CE2-CZ 3.86Å; W328-F333 AromaticContact CE3-CE2 3.47Å; W328-F333 HydrophobicContact CE3-CE2 3.47Å; W328-F333 VanDerWaalsContact CE3-CE2 3.47Å; W328-F333 AromaticContact CE3-CZ 3.62Å; W328-F333 HydrophobicContact CE3-CZ 3.62Å; W328-F333 HydrophobicContact CG-CE2 4.12Å; W328-F333 HydrophobicContact CG-CZ 4.48Å; W328-F333 HydrophobicContact CH2-CE2 4.47Å; W328-F333 AromaticContact CH2-CZ 3.77Å; W328-F333 HydrophobicContact CH2-CZ 3.77Å; W328-F333 AromaticContact CZ2-CZ 3.9Å; W328-F333 HydrophobicContact CZ2-CZ 3.9Å; W328-F333 AromaticContact CZ3-CE2 3.9Å; W328-F333 HydrophobicContact CZ3-CE2 3.9Å; W328-F333 AromaticContact CZ3-CZ 3.63Å; W328-F333 HydrophobicContact CZ3-CZ 3.63Å
329A97.4Very high98Very high52 Ų5229 Ų2943%0.4315%0.153SC..THydrogen-bonded Turntrans-50120.8177.400000111.1N203 N325 V331N203-A329 WeakPolarHBondContact CB-O 3.36Å; N203-A329 PolarHBondContact ND2-O 3.36Å; N203-A329 VanDerWaalsContact ND2-O 3.13Å; N325-A329 WeakPolarHBondContact O-CB 3.33Å; N325-A329 PolarHBondContact O-N 3.13Å; A329-V331 VanDerWaalsContact C-N 3.35Å
330G97.2Very high97.9Very high68 Ų6830.8 Ų30.870%0.70116%0.159SC*.THydrogen-bonded Turntrans83.6-4.9179.500000116.2W328 P332W328-G330 PolarHBondContact O-N 2.69Å; W328-G330 VanDerWaalsContact O-N 3.08Å; G330-P332 WeakPolarHBondContact O-CD 3.39Å
331V98.4Very high97.8Very high3 Ų329.4 Ų29.42%0.01816%0.155CC..  trans-95.7111.5177.31800000109.5N203 I206 W328 A329 F333N203-V331 VanDerWaalsContact CA-CG2 3.47Å; N203-V331 HydrophobicContact CB-CG2 3.47Å; N203-V331 VanDerWaalsContact CB-CG2 3.47Å; I206-V331 HydrophobicContact CG2-CG1 3.89Å; W328-V331 HydrophobicContact CE3-CB 4.06Å; W328-V331 HydrophobicContact CE3-CG1 3.93Å; W328-V331 HydrophobicContact CE3-CG2 4.38Å; W328-V331 HydrophobicContact CZ3-CG1 4.15Å; W328-V331 PolarHBondContact O-N 3.04Å; A329-V331 VanDerWaalsContact C-N 3.35Å; V331-F333 HydrophobicContact CG1-CE2 4.33Å
332P98.5Very high97.5Very high0 Ų031.5 Ų31.50%017%0.168CC..  trans-75.4140.4175.630.3-32.8000111.3H208 V209 R320 G330 Y334H208-P332 WeakPolarHBondContact CA-O 3.36Å; H208-P332 HydrophobicContact CB-CG 3.91Å; H208-P332 WeakPolarHBondContact CB-O 3.25Å; V209-P332 PolarHBondContact N-O 2.94Å; V209-P332 VanDerWaalsContact N-O 3.14Å; R320-P332 HydrophobicContact CG-CB 4.13Å; G330-P332 WeakPolarHBondContact O-CD 3.39Å; P332-Y334 HydrophobicContact CB-CD2 4.48Å; P332-Y334 HydrophobicContact CB-CE2 3.78Å; P332-Y334 HydrophobicContact CG-CE2 3.65Å
333F98.9Very high97.3Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-104.2122.9166.3-78.2-109.9000108.5V209 L244 I247 A248 V321 I323 W328 V331V209-F333 HydrophobicContact CB-CD1 3.61Å; V209-F333 HydrophobicContact CB-CE1 3.68Å; V209-F333 HydrophobicContact CB-CG 4.12Å; V209-F333 HydrophobicContact CB-CZ 4.23Å; V209-F333 HydrophobicContact CG1-CD1 3.8Å; V209-F333 HydrophobicContact CG1-CE1 3.81Å; V209-F333 HydrophobicContact CG2-CD1 4.16Å; V209-F333 HydrophobicContact CG2-CE1 3.72Å; V209-F333 HydrophobicContact CG2-CE2 4.39Å; V209-F333 HydrophobicContact CG2-CZ 3.84Å; V209-F333 CarbonylContact O-C 3.54Å; V209-F333 WeakPolarHBondContact O-CA 3.4Å; L244-F333 HydrophobicContact CD1-CB 4.28Å; L244-F333 HydrophobicContact CD1-CD1 4.35Å; L244-F333 HydrophobicContact CG-CD1 4.21Å; I247-F333 HydrophobicContact CG2-CE1 3.9Å; I247-F333 HydrophobicContact CG2-CZ 4.49Å; A248-F333 HydrophobicContact CB-CE1 4.38Å; A248-F333 HydrophobicContact CB-CZ 4.15Å; V321-F333 HydrophobicContact CB-CB 4.04Å; V321-F333 PolarHBondContact N-O 3.35Å; V321-F333 PolarHBondContact O-N 2.9Å; I323-F333 HydrophobicContact CD1-CD2 3.78Å; I323-F333 HydrophobicContact CD1-CE1 4.43Å; I323-F333 HydrophobicContact CD1-CE2 3.6Å; I323-F333 HydrophobicContact CD1-CG 4.29Å; I323-F333 HydrophobicContact CD1-CZ 3.95Å; I323-F333 HydrophobicContact CG1-CD2 4.17Å; I323-F333 HydrophobicContact CG1-CE2 4.31Å; W328-F333 HydrophobicContact CB-CE2 4.48Å; W328-F333 AromaticContact CD2-CE2 3.66Å; W328-F333 HydrophobicContact CD2-CE2 3.66Å; W328-F333 AromaticContact CD2-CZ 3.73Å; W328-F333 HydrophobicContact CD2-CZ 3.73Å; W328-F333 AromaticContact CE2-CZ 3.86Å; W328-F333 AromaticContact CE3-CE2 3.47Å; W328-F333 HydrophobicContact CE3-CE2 3.47Å; W328-F333 VanDerWaalsContact CE3-CE2 3.47Å; W328-F333 AromaticContact CE3-CZ 3.62Å; W328-F333 HydrophobicContact CE3-CZ 3.62Å; W328-F333 HydrophobicContact CG-CE2 4.12Å; W328-F333 HydrophobicContact CG-CZ 4.48Å; W328-F333 HydrophobicContact CH2-CE2 4.47Å; W328-F333 AromaticContact CH2-CZ 3.77Å; W328-F333 HydrophobicContact CH2-CZ 3.77Å; W328-F333 AromaticContact CZ2-CZ 3.9Å; W328-F333 HydrophobicContact CZ2-CZ 3.9Å; W328-F333 AromaticContact CZ3-CE2 3.9Å; W328-F333 HydrophobicContact CZ3-CE2 3.9Å; W328-F333 AromaticContact CZ3-CZ 3.63Å; W328-F333 HydrophobicContact CZ3-CZ 3.63Å; V331-F333 HydrophobicContact CG1-CE2 4.33Å
334Y98.8Very high97Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-103.1114.5177.7-63.2-77.6000110.1H208 V209 E210 I211 I319 R320 P332 M479 I480 D483 W487H208-Y334 HydrophobicContact CB-CD2 4.38Å; H208-Y334 HydrophobicContact CB-CE2 4.09Å; V209-Y334 PolarHBondContact O-N 2.94Å; E210-Y334 CarbonylContact C-O 3.59Å; E210-Y334 WeakPolarHBondContact CA-O 3.28Å; I211-Y334 PolarHBondContact N-O 3.11Å; I319-Y334 CarbonylContact O-C 3.59Å; I319-Y334 WeakPolarHBondContact O-CA 3.26Å; R320-Y334 HydrophobicContact CB-CD1 4.03Å; R320-Y334 HydrophobicContact CB-CE1 3.85Å; R320-Y334 HydrophobicContact CG-CD1 4.21Å; R320-Y334 HydrophobicContact CG-CE1 3.69Å; P332-Y334 HydrophobicContact CB-CD2 4.48Å; P332-Y334 HydrophobicContact CB-CE2 3.78Å; P332-Y334 HydrophobicContact CG-CE2 3.65Å; Y334-M479 HydrophobicContact CD1-CE 4.11Å; Y334-I480 HydrophobicContact CD1-CB 4.39Å; Y334-I480 HydrophobicContact CD1-CD1 4.17Å; Y334-I480 HydrophobicContact CD1-CG1 4.27Å; Y334-I480 HydrophobicContact CD2-CD1 3.6Å; Y334-I480 HydrophobicContact CD2-CG1 4.15Å; Y334-I480 HydrophobicContact CE1-CB 4.13Å; Y334-I480 HydrophobicContact CE1-CD1 4.32Å; Y334-I480 HydrophobicContact CE1-CG1 3.96Å; Y334-I480 HydrophobicContact CE2-CD1 3.78Å; Y334-I480 HydrophobicContact CE2-CG1 3.85Å; Y334-I480 HydrophobicContact CG-CD1 3.8Å; Y334-I480 HydrophobicContact CG-CG1 4.35Å; Y334-D483 WeakPolarHBondContact OH-CB 3.44Å; Y334-D483 VanDerWaalsContact OH-CG 3.29Å; Y334-D483 PolarHBondContact OH-OD2 2.91Å; Y334-W487 VanDerWaalsContact CB-CH2 3.48Å; Y334-W487 HydrophobicContact CG-CH2 4.46Å
335L98.7Very high96.8Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-95.4134.5172.8-53.9-173.9000108.7I211 I236 L240 L244 A318 I319 V321I211-L335 HydrophobicContact CB-CD2 3.7Å; I211-L335 HydrophobicContact CD1-CD2 3.73Å; I211-L335 HydrophobicContact CG1-CD2 4.06Å; I211-L335 HydrophobicContact CG2-CD2 4.4Å; I211-L335 WeakPolarHBondContact O-CA 3.29Å; I236-L335 HydrophobicContact CD1-CB 4.14Å; I236-L335 HydrophobicContact CD1-CD1 4.35Å; L240-L335 HydrophobicContact CB-CD1 4.32Å; L240-L335 HydrophobicContact CB-CD2 4.48Å; L240-L335 HydrophobicContact CD2-CB 3.95Å; L240-L335 HydrophobicContact CD2-CD2 4.41Å; L244-L335 HydrophobicContact CD1-CD1 4.28Å; L244-L335 HydrophobicContact CD1-CD2 4.13Å; A318-L335 CarbonylContact C-O 3.54Å; A318-L335 WeakPolarHBondContact CA-O 3.38Å; I319-L335 HydrophobicContact CB-CB 4.41Å; I319-L335 PolarHBondContact N-O 2.97Å; I319-L335 PolarHBondContact O-N 2.71Å; V321-L335 HydrophobicContact CG2-CD1 3.8Å; V321-L335 HydrophobicContact CG2-CG 3.91Å
336R98.2Very high96.8Very high7 Ų733.5 Ų33.53%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-138.8128.2172.7174.4172.563.2175-5.6110.5I211 T212 V213 F316 V317 W487I211-R336 PolarHBondContact O-N 2.85Å; T212-R336 CarbonylContact C-O 3.39Å; T212-R336 VanDerWaalsContact CA-O 3.3Å; T212-R336 WeakPolarHBondContact CA-O 3.4Å; T212-R336 PolarHBondContact OG1-NE 2.64Å; T212-R336 PolarHBondContact OG1-NH2 2.88Å; V213-R336 PolarHBondContact N-O 3.09Å; F316-R336 HydrophobicContact CE2-CG 3.72Å; F316-R336 HydrophobicContact CZ-CG 3.7Å; V317-R336 WeakPolarHBondContact O-CA 3.45Å; R336-W487 HydrophobicContact CB-CE3 4.38Å; R336-W487 HydrophobicContact CB-CH2 3.4Å; R336-W487 VanDerWaalsContact CB-CH2 3.4Å; R336-W487 HydrophobicContact CB-CZ2 3.96Å; R336-W487 HydrophobicContact CB-CZ3 3.66Å; R336-W487 HydrophobicContact CG-CH2 4.4Å
337T98.3Very high96.8Very high0 Ų022.5 Ų22.50%014%0.136CC..EExtended strand (participates in β ladder)trans-148.8149173.8-177.80000111.3V213 Q231 M235 I236 L240 F316 V317V213-T337 WeakPolarHBondContact O-CA 3.16Å; V213-T337 WeakPolarHBondContact O-CB 3.49Å; V213-T337 PolarHBondContact O-OG1 3.18Å; Q231-T337 HydrophobicContact CG-CG2 3.63Å; Q231-T337 PolarHBondContact NE2-OG1 3.41Å; M235-T337 HydrophobicContact CB-CG2 4.03Å; I236-T337 HydrophobicContact CD1-CG2 3.59Å; I236-T337 HydrophobicContact CG1-CG2 3.89Å; L240-T337 HydrophobicContact CD1-CG2 4.24Å; L240-T337 HydrophobicContact CD2-CG2 4.4Å; F316-T337 CarbonylContact C-O 3.45Å; F316-T337 VanDerWaalsContact CA-O 3.32Å; F316-T337 WeakPolarHBondContact CA-O 3.18Å; F316-T337 WeakPolarHBondContact CD2-O 3.44Å; V317-T337 HydrophobicContact CB-CG2 4.47Å; V317-T337 PolarHBondContact N-O 3.21Å; V317-T337 PolarHBondContact O-N 3.32Å
338G97.6Very high96.8Very high0 Ų019.8 Ų19.80%013%0.125CC..EExtended strand (participates in β ladder)trans-177.6167.2173.300000113.5V213 E215 T315V213-G338 PolarHBondContact O-N 3.46Å; E215-G338 PolarHBondContact N-O 3.42Å; T315-G338 CarbonylContact O-C 3.55Å; T315-G338 WeakPolarHBondContact O-CA 3.21Å
339K96.9Very high96.8Very high4 Ų419.8 Ų19.82%0.01713%0.126CC..SBendtrans-97159.4174.9-65.7-172.4-168-57.30111.2E215 V217 I219 F226 D234 Y288 T315 L341 Y466E215-K339 HydrophobicContact CB-CG 4.4Å; E215-K339 CarbonylContact O-C 3.54Å; E215-K339 IonicContact OE1-NZ 3.94Å; E215-K339 PolarHBondContact OE1-NZ 3.37Å; E215-K339 WeakPolarHBondContact OE2-CG 3.32Å; E215-K339 IonicContact OE2-NZ 2.77Å; E215-K339 PolarHBondContact OE2-NZ 2.8Å; V217-K339 WeakPolarHBondContact O-CB 3.4Å; I219-K339 HydrophobicContact CD1-CD 3.58Å; F226-K339 HydrophobicContact CE2-CD 4.04Å; F226-K339 HydrophobicContact CZ-CD 4.11Å; D234-K339 IonicContact OD2-NZ 3.68Å; D234-K339 PolarHBondContact OD2-NZ 2.93Å; Y288-K339 HydrophobicContact CE1-CB 4.4Å; T315-K339 PolarHBondContact O-N 3.29Å; K339-L341 PolarHBondContact O-N 2.78Å; K339-Y466 PolarHBondContact O-OH 3.37Å
340R96.2Very high96.8Very high36 Ų3617.3 Ų17.314%0.13611%0.105CC..SBendtrans5434.4-174.5-64-63.3-163.5-174.6-1.7113.3E215 V217 Y288 A468 G469E215-R340 PolarHBondContact O-N 2.72Å; V217-R340 PolarHBondContact O-N 2.67Å; Y288-R340 HydrophobicContact CD1-CB 4.05Å; Y288-R340 HydrophobicContact CD1-CG 3.81Å; Y288-R340 HydrophobicContact CD2-CB 4.31Å; Y288-R340 HydrophobicContact CD2-CG 3.76Å; Y288-R340 HydrophobicContact CE1-CG 3.9Å; Y288-R340 HydrophobicContact CE2-CG 3.81Å; Y288-R340 HydrophobicContact CG-CB 3.94Å; Y288-R340 HydrophobicContact CG-CG 3.78Å; R340-A468 HydrophobicContact CB-CB 3.91Å; R340-A468 HydrophobicContact CG-CB 4.21Å; R340-G469 PolarHBondContact O-N 3.07Å
341L96Very high96.8Very high2 Ų215.4 Ų15.41%0.018%0.077CC..  trans-79.2167.4169.7-64.4-173000110A214 E215 F316 K339 T343 Y466 T470 W471A214-L341 HydrophobicContact CB-CB 3.99Å; A214-L341 HydrophobicContact CB-CD1 3.5Å; A214-L341 HydrophobicContact CB-CG 4.34Å; E215-L341 PolarHBondContact O-N 3.19Å; F316-L341 HydrophobicContact CD2-CD1 4.35Å; F316-L341 HydrophobicContact CD2-CD2 4Å; F316-L341 HydrophobicContact CE2-CD1 4.37Å; F316-L341 HydrophobicContact CE2-CD2 4.24Å; K339-L341 PolarHBondContact O-N 2.78Å; L341-T343 VanDerWaalsContact C-N 3.35Å; L341-T343 PolarHBondContact O-N 3.2Å; L341-Y466 HydrophobicContact CD2-CE2 4.07Å; L341-T470 WeakPolarHBondContact CD2-O 3.43Å; L341-W471 HydrophobicContact CD1-CE3 4.41Å; L341-W471 HydrophobicContact CD1-CZ3 4.41Å
342P93.8Very high96.8Very high44 Ų4416.6 Ų16.629%0.2868%0.082SC..SBendtrans-65.9-38.4-170.3-19.833000112.8G469 T470 W471P342-G469 WeakPolarHBondContact CG-O 3.43Å; P342-T470 WeakPolarHBondContact CD-O 3.43Å; P342-W471 HydrophobicContact CB-CZ2 4.46Å; P342-W471 HydrophobicContact CG-CD2 3.87Å; P342-W471 HydrophobicContact CG-CG 3.89Å; P342-W471 HydrophobicContact CG-CZ2 4.23Å
343T93Very high96.7Very high58 Ų5821.3 Ų21.336%0.35610%0.102SC..SBendtrans-136.8154.3-177.858.10000111.5A214 E216 L341 W471A214-T343 WeakPolarHBondContact CB-O 3.25Å; E216-T343 WeakPolarHBondContact OE1-CA 3.41Å; L341-T343 VanDerWaalsContact C-N 3.35Å; L341-T343 PolarHBondContact O-N 3.2Å; T343-W471 WeakPolarHBondContact OG1-CH2 3.49Å; T343-W471 WeakPolarHBondContact OG1-CZ2 3.41Å
344K94Very high96.5Very high111 Ų11124.5 Ų24.548%0.48312%0.122SC..  trans-85.2114.4174.5177.1-178.9176.2-175.30106.6A214 E216 P378A214-K344 WeakPolarHBondContact O-CA 3.41Å; E216-K344 VanDerWaalsContact CD-N 3.3Å; E216-K344 HydrophobicContact CG-CB 4.02Å; E216-K344 PolarHBondContact OE1-N 2.99Å; K344-P378 WeakPolarHBondContact O-CD 3.33Å
345C94.1Very high96.3Very high11 Ų1128.5 Ų28.57%0.07415%0.148CC..EExtended strand (participates in β ladder)trans-145.1152.6176.472.20000111.1V213 A214 Q377 F490V213-C345 CarbonylContact C-O 3.3Å; V213-C345 WeakPolarHBondContact CA-O 3.35Å; A214-C345 PolarHBondContact N-O 2.65Å; A214-C345 PolarHBondContact O-N 2.86Å; A214-C345 VanDerWaalsContact O-N 3.16Å; C345-Q377 CarbonylContact C-O 3.57Å; C345-Q377 WeakPolarHBondContact CA-O 3.34Å; C345-F490 HydrophobicContact CB-CD1 4.3Å; C345-F490 HydrophobicContact CB-CE1 4.06Å; C345-F490 WeakPolarHBondContact SG-CE1 3.28Å; C345-F490 WeakPolarHBondContact SG-CZ 3.44Å
346S95.2Very high95.9Very high2 Ų238.5 Ų38.51%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-139.7118.3166.4-550000106.9T212 L376 Q377T212-S346 CarbonylContact O-C 3.56Å; T212-S346 VanDerWaalsContact O-CA 3.23Å; T212-S346 WeakPolarHBondContact O-CA 3.49Å; S346-L376 WeakPolarHBondContact O-CA 3.38Å; S346-L376 VanDerWaalsContact O-CB 3.32Å; S346-L376 WeakPolarHBondContact O-CB 3.46Å; S346-L376 PolarHBondContact O-N 2.82Å; S346-Q377 VanDerWaalsContact CB-CG 3.44Å; S346-Q377 PolarHBondContact N-O 2.92Å; S346-Q377 PolarHBondContact O-N 2.96Å; S346-Q377 VanDerWaalsContact OG-CG 3.27Å; S346-Q377 WeakPolarHBondContact OG-CG 3.07Å; S346-Q377 PolarHBondContact OG-NE2 3.42Å
347E95.9Very high95.7Very high17 Ų1744 Ų448%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-148.7143.7-167.7-175.8179.978.100110I211 T212 V349 T373 I374 N488 F490I211-E347 WeakPolarHBondContact CA-O 3.37Å; T212-E347 PolarHBondContact N-O 2.97Å; T212-E347 PolarHBondContact O-N 2.89Å; E347-V349 HydrophobicContact CG-CG2 3.73Å; E347-V349 WeakPolarHBondContact OE1-CG2 3.25Å; E347-T373 HydrophobicContact CG-CG2 3.7Å; E347-T373 WeakPolarHBondContact OE2-CG2 3.36Å; E347-I374 WeakPolarHBondContact CA-O 3.31Å; E347-N488 PolarHBondContact OE1-ND2 3.35Å; E347-F490 HydrophobicContact CB-CE1 4.18Å; E347-F490 VanDerWaalsContact OE1-CE1 3.24Å; E347-F490 WeakPolarHBondContact OE1-CE1 3.45Å
348V97.3Very high95.4Very high0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-111.3130.3163.7-176.60000108.6V209 E210 I211 I243 I247 V350 I374 L376V209-V348 HydrophobicContact CG1-CG1 3.99Å; E210-V348 CarbonylContact O-C 3.29Å; E210-V348 WeakPolarHBondContact O-CA 3.5Å; I211-V348 HydrophobicContact CG1-CG1 4.21Å; I211-V348 HydrophobicContact CG1-CG2 4.21Å; I211-V348 HydrophobicContact CG2-CG2 4.43Å; I243-V348 HydrophobicContact CG2-CG2 3.38Å; I247-V348 HydrophobicContact CD1-CB 4.46Å; I247-V348 HydrophobicContact CD1-CG1 3.81Å; I247-V348 HydrophobicContact CD1-CG2 4.44Å; I247-V348 HydrophobicContact CG1-CG1 3.95Å; I247-V348 HydrophobicContact CG1-CG2 4.41Å; V348-V350 HydrophobicContact CG1-CG2 4.35Å; V348-I374 HydrophobicContact CB-CB 4.29Å; V348-I374 HydrophobicContact CB-CD1 4.38Å; V348-I374 PolarHBondContact N-O 2.93Å; V348-I374 PolarHBondContact O-N 3.24Å; V348-L376 HydrophobicContact CG2-CD1 4.36Å
349V97.8Very high95.2Very high1 Ų151.6 Ų51.61%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-122.3121.2177.9-170.50000109V209 E210 E347 Y351 K371 L372 T373 N488V209-V349 CarbonylContact C-O 3.46Å; V209-V349 WeakPolarHBondContact CA-O 3.31Å; E210-V349 HydrophobicContact CB-CB 4.24Å; E210-V349 PolarHBondContact N-O 3.09Å; E210-V349 PolarHBondContact O-N 2.82Å; E347-V349 HydrophobicContact CG-CG2 3.73Å; E347-V349 WeakPolarHBondContact OE1-CG2 3.25Å; V349-Y351 HydrophobicContact CB-CE2 4.12Å; V349-Y351 HydrophobicContact CG1-CD2 3.73Å; V349-Y351 HydrophobicContact CG1-CE2 3.28Å; V349-K371 HydrophobicContact CG1-CD 3.39Å; V349-K371 HydrophobicContact CG1-CG 3.29Å; V349-L372 CarbonylContact C-O 3.5Å; V349-L372 WeakPolarHBondContact CA-O 3.49Å; V349-T373 HydrophobicContact CG2-CG2 4.42Å; V349-N488 HydrophobicContact CG1-CB 4.45Å; V349-N488 HydrophobicContact CG2-CB 3.98Å
350V98.1Very high95Very high0 Ų055.2 Ų55.20%028%0.28CS..EExtended strand (participates in β ladder)trans-107.2113.6176.2-177.60000108.1W201 I206 V209 V348 F352 K371 L372W201-V350 HydrophobicContact CH2-CG2 4.02Å; W201-V350 HydrophobicContact CZ2-CG2 4.11Å; I206-V350 HydrophobicContact CB-CG1 4.49Å; I206-V350 HydrophobicContact CD1-CG1 3.72Å; I206-V350 HydrophobicContact CG1-CG1 3.8Å; I206-V350 HydrophobicContact CG2-CG1 3.91Å; V209-V350 HydrophobicContact CG1-CG2 4.35Å; V209-V350 HydrophobicContact CG2-CG1 4.37Å; V209-V350 HydrophobicContact CG2-CG2 4.29Å; V348-V350 HydrophobicContact CG1-CG2 4.35Å; V350-F352 HydrophobicContact CG1-CE1 4.47Å; V350-F352 HydrophobicContact CG1-CE2 4.39Å; V350-F352 HydrophobicContact CG1-CZ 4.16Å; V350-K371 WeakPolarHBondContact O-CA 3.29Å; V350-L372 HydrophobicContact CB-CB 4.28Å; V350-L372 PolarHBondContact N-O 3.1Å; V350-L372 PolarHBondContact O-N 3.06Å
351Y98.1Very high94.8Very high28 Ų2859.8 Ų59.811%0.1130%0.301CS..EExtended strand (participates in β ladder)trans-92.4129175.2-76-94.6000110.1D207 H208 E210 V349 Q369 K371 N488D207-Y351 PolarHBondContact N-O 3.02Å; H208-Y351 AromaticContact CD2-CD2 3.79Å; H208-Y351 WeakPolarHBondContact CE1-CB 3.31Å; H208-Y351 AromaticContact CE1-CD1 3.97Å; H208-Y351 AromaticContact CE1-CD2 3.44Å; H208-Y351 VanDerWaalsContact CE1-CD2 3.44Å; H208-Y351 WeakPolarHBondContact CE1-CD2 3.23Å; H208-Y351 AromaticContact CE1-CG 3.32Å; H208-Y351 PolarHBondContact N-O 3.2Å; H208-Y351 AromaticContact ND1-CG 3.99Å; H208-Y351 AromaticContact NE2-CD2 3.13Å; H208-Y351 WeakPolarHBondContact NE2-CD2 3.5Å; H208-Y351 AromaticContact NE2-CE2 3.61Å; H208-Y351 AromaticContact NE2-CG 3.57Å; H208-Y351 PolarHBondContact O-N 3.48Å; E210-Y351 HydrophobicContact CG-CE2 4.3Å; V349-Y351 HydrophobicContact CB-CE2 4.12Å; V349-Y351 HydrophobicContact CG1-CD2 3.73Å; V349-Y351 HydrophobicContact CG1-CE2 3.28Å; Y351-Q369 HydrophobicContact CD1-CB 4.03Å; Y351-K371 HydrophobicContact CD1-CG 4.37Å; Y351-K371 HydrophobicContact CE1-CB 4.46Å; Y351-K371 HydrophobicContact CE1-CD 3.87Å; Y351-K371 HydrophobicContact CE1-CG 4.13Å; Y351-K371 HydrophobicContact CE2-CD 4.28Å; Y351-K371 HydrophobicContact CE2-CG 4.45Å; Y351-N488 PolarHBondContact OH-OD1 2.67Å
352F97.5Very high94.5Very high27 Ų2768.2 Ų68.212%0.11834%0.34CS..EExtended strand (participates in β ladder)trans-92.3152176.8-62.5-86.7000111T205 I206 V350 Q369 N370 L372T205-F352 CarbonylContact O-C 3.6Å; T205-F352 WeakPolarHBondContact O-CA 3.49Å; I206-F352 HydrophobicContact CG1-CD1 4.27Å; I206-F352 HydrophobicContact CG1-CE1 4.15Å; V350-F352 HydrophobicContact CG1-CE1 4.47Å; V350-F352 HydrophobicContact CG1-CE2 4.39Å; V350-F352 HydrophobicContact CG1-CZ 4.16Å; F352-Q369 WeakPolarHBondContact O-CB 3.29Å; F352-Q369 VanDerWaalsContact O-CG 3.3Å; F352-Q369 WeakPolarHBondContact O-CG 3.46Å; F352-Q369 PolarHBondContact O-NE2 3.09Å; F352-N370 HydrophobicContact CB-CB 4.22Å; F352-N370 HydrophobicContact CD2-CB 4.05Å; F352-N370 WeakPolarHBondContact CD2-O 3.4Å; F352-N370 PolarHBondContact N-O 3.35Å; F352-L372 HydrophobicContact CE2-CB 3.8Å; F352-L372 HydrophobicContact CZ-CB 4.3Å
353K96.7Very high94.4Very high99 Ų9967.7 Ų67.743%0.4334%0.338SS..PPolyproline II helixtrans-66.3146.1173-64.3-174.1-172-179.80110.4N203 T205 I206 D207N203-K353 VanDerWaalsContact O-CE 3.28Å; N203-K353 WeakPolarHBondContact O-CE 3.11Å; N203-K353 PolarHBondContact O-NZ 3.01Å; T205-K353 PolarHBondContact O-N 3.49Å; I206-K353 VanDerWaalsContact O-CE 3.24Å; I206-K353 WeakPolarHBondContact O-CE 3.39Å; D207-K353 HydrophobicContact CB-CG 3.83Å
354T95Very high94.2Very high67 Ų6769.4 Ų69.441%0.41134%0.337SS..PPolyproline II helixtrans-73.8152.9170.150.90000110.4L367 Q369T354-L367 HydrophobicContact CG2-CB 4.22Å; T354-L367 VanDerWaalsContact CG2-O 3.23Å; T354-L367 WeakPolarHBondContact CG2-O 3.16Å; T354-Q369 HydrophobicContact CG2-CG 4.02Å
355P93.2Very high94.1Very high85 Ų8571.6 Ų71.655%0.55235%0.349SS*.PPolyproline II helixtrans-59.3143.1172.1-21.932.5000111.7L357 L367P355-L357 PolarHBondContact O-N 2.99Å; P355-L367 HydrophobicContact CG-CD1 4.41Å
356E90.6Very high93.9Very high210 Ų21077 Ų7798%0.98138%0.378SS*.SBendtrans-60.3-32.3178.7-63.9-174.7169.600112.8
357L93.7Very high93.9Very high122 Ų12278.2 Ų78.264%0.63938%0.384SS*.SBendtrans-111.3108.9177.5-174.566.6000110.9P355 L359P355-L357 PolarHBondContact O-N 2.99Å; L357-L359 HydrophobicContact CD2-CD2 3.72Å; L357-L359 HydrophobicContact CD2-CG 4.34Å; L357-L359 HydrophobicContact CG-CD2 3.98Å; L357-L359 HydrophobicContact CG-CG 4.39Å; L357-L359 PolarHBondContact O-N 3.05Å
358N93.9Very high93.7Very high21 Ų2178.6 Ų78.611%0.11239%0.388CS..  trans-83.1102.1170.7-178.28.2000110.6F360 K361 W364 Q365 L367N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 VanDerWaalsContact OD1-C 3.3Å; N358-F360 WeakPolarHBondContact OD1-CA 3.45Å; N358-F360 PolarHBondContact OD1-N 2.66Å; N358-K361 HydrophobicContact CB-CG 3.94Å; N358-K361 WeakPolarHBondContact ND2-CG 3.46Å; N358-K361 WeakPolarHBondContact O-CG 3.35Å; N358-K361 PolarHBondContact OD1-N 2.73Å; N358-W364 PolarHBondContact ND2-O 2.71Å; N358-Q365 PolarHBondContact ND2-O 2.51Å; N358-L367 HydrophobicContact CB-CD1 4.15Å; N358-L367 HydrophobicContact CB-CG 4.31Å; N358-L367 WeakPolarHBondContact OD1-CG 3.41Å
359L92.5Very high93.6Very high139 Ų13981.2 Ų81.273%0.72840%0.4SS*.THydrogen-bonded Turntrans-79.3-11.3172.9-63.8178.3000113.3L357L357-L359 HydrophobicContact CD2-CD2 3.72Å; L357-L359 HydrophobicContact CD2-CG 4.34Å; L357-L359 HydrophobicContact CG-CD2 3.98Å; L357-L359 HydrophobicContact CG-CG 4.39Å; L357-L359 PolarHBondContact O-N 3.05Å
360F92.9Very high93.6Very high80 Ų8084.1 Ų84.135%0.35142%0.416SS..THydrogen-bonded Turntrans-106.726.7-175.4-55.4-85.2000112.1N358 E362 S363 W364 L367 H397 L399N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 VanDerWaalsContact OD1-C 3.3Å; N358-F360 WeakPolarHBondContact OD1-CA 3.45Å; N358-F360 PolarHBondContact OD1-N 2.66Å; F360-E362 PolarHBondContact O-N 2.87Å; F360-E362 VanDerWaalsContact O-N 3.14Å; F360-S363 WeakPolarHBondContact O-CA 3.5Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 2.88Å; F360-W364 PolarHBondContact O-N 3.1Å; F360-L367 HydrophobicContact CB-CD2 4.26Å; F360-H397 HydrophobicContact CD1-CB 4.15Å; F360-H397 HydrophobicContact CE1-CB 4.13Å; F360-L399 HydrophobicContact CB-CD1 3.58Å; F360-L399 HydrophobicContact CB-CG 4.24Å; F360-L399 HydrophobicContact CD1-CD1 3.98Å; F360-L399 HydrophobicContact CD1-CD2 4.04Å; F360-L399 HydrophobicContact CD1-CG 4.1Å; F360-L399 HydrophobicContact CD2-CD1 4.01Å; F360-L399 HydrophobicContact CE1-CD2 4.23Å; F360-L399 HydrophobicContact CG-CD1 3.6Å; F360-L399 HydrophobicContact CG-CD2 4.49Å; F360-L399 HydrophobicContact CG-CG 4.21Å
361K92.1Very high93.5Very high132 Ų13284.9 Ų84.957%0.57442%0.419SS*.THydrogen-bonded Turntrans-54.2-31.9-179.7-78.8179.3-176.5-171.70114.3N358 S363 W364N358-K361 HydrophobicContact CB-CG 3.94Å; N358-K361 WeakPolarHBondContact ND2-CG 3.46Å; N358-K361 WeakPolarHBondContact O-CG 3.35Å; N358-K361 PolarHBondContact OD1-N 2.73Å; K361-S363 VanDerWaalsContact C-N 3.27Å; K361-S363 PolarHBondContact O-N 3.5Å; K361-W364 VanDerWaalsContact CA-O 3.29Å; K361-W364 WeakPolarHBondContact CA-O 3.48Å; K361-W364 CarbonylContact O-C 3.48Å
362E90Very high93.4Very high178 Ų17883.5 Ų83.583%0.83241%0.413SS*.THydrogen-bonded Turntrans-67.7-29.2176-64.6-171.2178.800112.7F360F360-E362 PolarHBondContact O-N 2.87Å; F360-E362 VanDerWaalsContact O-N 3.14Å
363S90.8Very high93.4Very high34 Ų3482.3 Ų82.324%0.23841%0.408CS..THydrogen-bonded Turntrans-87.6-47.2175.7-174.70000111.7F360 K361 N398 L399F360-S363 WeakPolarHBondContact O-CA 3.5Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 2.88Å; K361-S363 VanDerWaalsContact C-N 3.27Å; K361-S363 PolarHBondContact O-N 3.5Å; S363-N398 WeakPolarHBondContact OG-CA 3.35Å; S363-L399 PolarHBondContact OG-N 3.47Å
364W89.2Confident93.3Very high93 Ų9377.6 Ų77.635%0.35239%0.388SS..  trans-138.3116.2179.6-80.269.3000108.2N358 F360 K361 D366 L367 P368 L399 I401N358-W364 PolarHBondContact ND2-O 2.71Å; F360-W364 PolarHBondContact O-N 3.1Å; K361-W364 VanDerWaalsContact CA-O 3.29Å; K361-W364 WeakPolarHBondContact CA-O 3.48Å; K361-W364 CarbonylContact O-C 3.48Å; W364-D366 VanDerWaalsContact C-N 3.27Å; W364-D366 PolarHBondContact O-N 3.07Å; W364-L367 HydrophobicContact CB-CD2 4.29Å; W364-P368 HydrophobicContact CD2-CG 3.88Å; W364-P368 HydrophobicContact CE3-CG 3.35Å; W364-P368 HydrophobicContact CH2-CG 3.33Å; W364-P368 HydrophobicContact CZ2-CG 3.87Å; W364-P368 HydrophobicContact CZ3-CB 4.39Å; W364-P368 HydrophobicContact CZ3-CG 3.09Å; W364-L399 PolarHBondContact NE1-O 3.04Å; W364-I401 HydrophobicContact CH2-CD1 3.96Å; W364-I401 HydrophobicContact CZ2-CD1 4.24Å; W364-I401 HydrophobicContact CZ2-CG1 4.39Å
365Q90.9Very high93.2Very high157 Ų15776.5 Ų76.573%0.73438%0.376SS*.SBendtrans-55.7-47.1179.1-177.9172.2-7.800110.9N358N358-Q365 PolarHBondContact ND2-O 2.51Å
366D91.2Very high93.2Very high126 Ų12672.5 Ų72.567%0.67435%0.35SS*.SBendtrans-117.6127.4170.4-61.3-52.2000109W364W364-D366 VanDerWaalsContact C-N 3.27Å; W364-D366 PolarHBondContact O-N 3.07Å
367L94.1Very high93.1Very high27 Ų2764 Ų6414%0.14131%0.311CS..PPolyproline II helixtrans-70139-179.8-69.7171.4000110.4T354 P355 N358 F360 W364 L387 L399T354-L367 HydrophobicContact CG2-CB 4.22Å; T354-L367 VanDerWaalsContact CG2-O 3.23Å; T354-L367 WeakPolarHBondContact CG2-O 3.16Å; P355-L367 HydrophobicContact CG-CD1 4.41Å; N358-L367 HydrophobicContact CB-CD1 4.15Å; N358-L367 HydrophobicContact CB-CG 4.31Å; N358-L367 WeakPolarHBondContact OD1-CG 3.41Å; F360-L367 HydrophobicContact CB-CD2 4.26Å; W364-L367 HydrophobicContact CB-CD2 4.29Å; L367-L387 HydrophobicContact CB-CD1 4.31Å; L367-L387 HydrophobicContact CD2-CD1 3.77Å; L367-L399 HydrophobicContact CD2-CD1 3.89Å
368P93.3Very high92.8Very high24 Ų2461.4 Ų61.416%0.15630%0.301CS..PPolyproline II helixtrans-59.6146164.5-24.836.6000111W364 L387 I401W364-P368 HydrophobicContact CD2-CG 3.88Å; W364-P368 HydrophobicContact CE3-CG 3.35Å; W364-P368 HydrophobicContact CH2-CG 3.33Å; W364-P368 HydrophobicContact CZ2-CG 3.87Å; W364-P368 HydrophobicContact CZ3-CB 4.39Å; W364-P368 HydrophobicContact CZ3-CG 3.09Å; P368-L387 HydrophobicContact CB-CD2 4.14Å; P368-L387 HydrophobicContact CG-CD2 3.95Å; P368-I401 HydrophobicContact CB-CD1 4.18Å; P368-I401 HydrophobicContact CB-CG1 4.49Å; P368-I401 HydrophobicContact CG-CD1 4.04Å; P368-I401 HydrophobicContact CG-CG1 4.28Å
369Q95.1Very high92.4Very high55 Ų5565.3 Ų65.326%0.25732%0.322SS..PPolyproline II helixtrans-66.2143.6169.1-67.1-177.8-79.100110.3D207 Y351 F352 T354D207-Q369 PolarHBondContact OD2-NE2 3.2Å; Y351-Q369 HydrophobicContact CD1-CB 4.03Å; F352-Q369 WeakPolarHBondContact O-CB 3.29Å; F352-Q369 VanDerWaalsContact O-CG 3.3Å; F352-Q369 WeakPolarHBondContact O-CG 3.46Å; F352-Q369 PolarHBondContact O-NE2 3.09Å; T354-Q369 HydrophobicContact CG2-CG 4.02Å
370N96.6Very high92.3Very high63 Ų6361.2 Ų61.234%0.33730%0.299SS..PPolyproline II helixtrans-69.9148.3161.1-60.4159.2000108.6F352 Q385F352-N370 HydrophobicContact CB-CB 4.22Å; F352-N370 HydrophobicContact CD2-CB 4.05Å; F352-N370 WeakPolarHBondContact CD2-O 3.4Å; F352-N370 PolarHBondContact N-O 3.35Å; N370-Q385 WeakPolarHBondContact CA-O 3.42Å; N370-Q385 WeakPolarHBondContact CB-O 3.42Å
371K96.2Very high92.3Very high15 Ų1557.4 Ų57.47%0.06528%0.282CS..EExtended strand (participates in β ladder)trans-135.3129.3-175.2-171.7-179.376.9144.80108.7V349 V350 Y351 T373 I384 Q385 N488V349-K371 HydrophobicContact CG1-CD 3.39Å; V349-K371 HydrophobicContact CG1-CG 3.29Å; V350-K371 WeakPolarHBondContact O-CA 3.29Å; Y351-K371 HydrophobicContact CD1-CG 4.37Å; Y351-K371 HydrophobicContact CE1-CB 4.46Å; Y351-K371 HydrophobicContact CE1-CD 3.87Å; Y351-K371 HydrophobicContact CE1-CG 4.13Å; Y351-K371 HydrophobicContact CE2-CD 4.28Å; Y351-K371 HydrophobicContact CE2-CG 4.45Å; K371-T373 VanDerWaalsContact CE-OG1 3.24Å; K371-T373 WeakPolarHBondContact CE-OG1 3.3Å; K371-I384 CarbonylContact O-C 3.55Å; K371-I384 WeakPolarHBondContact O-CA 3.22Å; K371-Q385 HydrophobicContact CB-CB 3.92Å; K371-Q385 PolarHBondContact N-O 2.83Å; K371-Q385 PolarHBondContact O-N 2.91Å; K371-N488 PolarHBondContact NZ-ND2 3.47Å; K371-N488 PolarHBondContact NZ-OD1 2.95Å
372L96.6Very high92.4Very high0 Ų051.7 Ų51.70%026%0.258CS..EExtended strand (participates in β ladder)trans-104.2118.5165.9165.270.3000107.6L190 F197 W201 V349 V350 F352 I374 V382 D383 I384L190-L372 HydrophobicContact CD2-CD2 4.28Å; F197-L372 HydrophobicContact CD1-CD2 4.39Å; F197-L372 HydrophobicContact CE1-CD2 3.89Å; F197-L372 HydrophobicContact CZ-CD1 4.33Å; F197-L372 HydrophobicContact CZ-CD2 4.29Å; W201-L372 HydrophobicContact CH2-CD2 3.49Å; W201-L372 VanDerWaalsContact CH2-CD2 3.49Å; W201-L372 HydrophobicContact CZ3-CD2 3.54Å; V349-L372 CarbonylContact C-O 3.5Å; V349-L372 WeakPolarHBondContact CA-O 3.49Å; V350-L372 HydrophobicContact CB-CB 4.28Å; V350-L372 PolarHBondContact N-O 3.1Å; V350-L372 PolarHBondContact O-N 3.06Å; F352-L372 HydrophobicContact CE2-CB 3.8Å; F352-L372 HydrophobicContact CZ-CB 4.3Å; L372-I374 HydrophobicContact CD1-CG1 4.4Å; L372-I374 HydrophobicContact CD2-CD1 4.18Å; L372-I374 HydrophobicContact CG-CD1 4.23Å; L372-I374 HydrophobicContact CG-CG1 4.27Å; L372-V382 HydrophobicContact CD1-CG1 3.41Å; L372-V382 VanDerWaalsContact CD1-CG1 3.41Å; L372-D383 WeakPolarHBondContact CA-O 3.14Å; L372-I384 HydrophobicContact CD1-CG1 3.86Å
373T96.2Very high92.6Very high1 Ų143.6 Ų43.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-107.5128179.2-43.20000108.7E347 V349 K371 R375 V382 D383E347-T373 HydrophobicContact CG-CG2 3.7Å; E347-T373 WeakPolarHBondContact OE2-CG2 3.36Å; V349-T373 HydrophobicContact CG2-CG2 4.42Å; K371-T373 VanDerWaalsContact CE-OG1 3.24Å; K371-T373 WeakPolarHBondContact CE-OG1 3.3Å; T373-R375 HydrophobicContact CG2-CG 4.21Å; T373-V382 CarbonylContact O-C 3.56Å; T373-V382 VanDerWaalsContact O-CA 3.31Å; T373-V382 WeakPolarHBondContact O-CA 3.37Å; T373-D383 VanDerWaalsContact CB-CG 3.46Å; T373-D383 WeakPolarHBondContact CB-OD1 3.13Å; T373-D383 WeakPolarHBondContact CB-OD2 3.45Å; T373-D383 PolarHBondContact N-O 3.2Å; T373-D383 PolarHBondContact O-N 2.83Å; T373-D383 PolarHBondContact OG1-OD1 2.97Å; T373-D383 PolarHBondContact OG1-OD2 3.34Å
374I95.3Very high92.8Very high1 Ų144.1 Ų44.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-119.1106.2176.6-60.2143.9000107.3L187 L190 I247 E347 V348 L372 L376 V382L187-I374 HydrophobicContact CD2-CD1 3.69Å; L187-I374 HydrophobicContact CD2-CG1 4.42Å; L187-I374 HydrophobicContact CD2-CG2 4.12Å; L190-I374 HydrophobicContact CD2-CD1 4.13Å; L190-I374 HydrophobicContact CD2-CG1 4.21Å; I247-I374 HydrophobicContact CD1-CD1 4.34Å; E347-I374 WeakPolarHBondContact CA-O 3.31Å; V348-I374 HydrophobicContact CB-CB 4.29Å; V348-I374 HydrophobicContact CB-CD1 4.38Å; V348-I374 PolarHBondContact N-O 2.93Å; V348-I374 PolarHBondContact O-N 3.24Å; L372-I374 HydrophobicContact CD1-CG1 4.4Å; L372-I374 HydrophobicContact CD2-CD1 4.18Å; L372-I374 HydrophobicContact CG-CD1 4.23Å; L372-I374 HydrophobicContact CG-CG1 4.27Å; I374-L376 HydrophobicContact CG2-CD2 3.9Å; I374-V382 HydrophobicContact CG1-CG1 4.38Å; I374-V382 HydrophobicContact CG1-CG2 4.33Å; I374-V382 HydrophobicContact CG2-CG2 4.43Å
375R93.9Very high93.2Very high44 Ų4441.4 Ų41.417%0.16621%0.211CC..EExtended strand (participates in β ladder)trans-85.9116.8-178.4-62.5-179.4-60.4-936.9109.3T183 T373 D379 E380 G381 D383 D405T183-R375 WeakPolarHBondContact CG2-O 3.43Å; T183-R375 PolarHBondContact OG1-O 3.28Å; T373-R375 HydrophobicContact CG2-CG 4.21Å; R375-D379 WeakPolarHBondContact CB-O 3.23Å; R375-D379 PolarHBondContact NE-O 2.84Å; R375-D379 VanDerWaalsContact NE-O 3.12Å; R375-E380 WeakPolarHBondContact O-CA 3.46Å; R375-G381 PolarHBondContact N-O 3.28Å; R375-G381 PolarHBondContact O-N 3.38Å; R375-D383 IonicContact CZ-OD2 2.67Å; R375-D383 IonicContact NH1-OD2 3.43Å; R375-D383 PolarHBondContact NH1-OD2 3.41Å; R375-D405 IonicContact CZ-OD1 2.77Å; R375-D405 IonicContact NH1-OD1 3.82Å; R375-D405 PolarHBondContact NH1-OD1 2.9Å; R375-D405 VanDerWaalsContact NH1-OD1 3.11Å; R375-D405 IonicContact NH2-OD1 3.11Å; R375-D405 PolarHBondContact NH2-OD1 2.89Å; R375-D405 IonicContact NH2-OD2 3.91Å
376L92.1Very high93.4Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-94.1-26.6-179-52.7-178000113.7K181 T183 V184 I243 S346 V348 I374K181-L376 PolarHBondContact NZ-O 3.07Å; T183-L376 WeakPolarHBondContact OG1-CA 3.36Å; T183-L376 VanDerWaalsContact OG1-CD2 3.29Å; T183-L376 WeakPolarHBondContact OG1-CD2 3.36Å; V184-L376 HydrophobicContact CG2-CD1 3.94Å; V184-L376 HydrophobicContact CG2-CD2 3.74Å; V184-L376 HydrophobicContact CG2-CG 4.4Å; I243-L376 HydrophobicContact CD1-CD1 3.64Å; I243-L376 HydrophobicContact CG1-CD1 4.09Å; I243-L376 HydrophobicContact CG2-CD1 4.39Å; S346-L376 WeakPolarHBondContact O-CA 3.38Å; S346-L376 VanDerWaalsContact O-CB 3.32Å; S346-L376 WeakPolarHBondContact O-CB 3.46Å; S346-L376 PolarHBondContact O-N 2.82Å; V348-L376 HydrophobicContact CG2-CD1 4.36Å; I374-L376 HydrophobicContact CG2-CD2 3.9Å
377Q89.1Confident93.6Very high33 Ų3331.3 Ų31.315%0.15416%0.163CC..EExtended strand (participates in β ladder)trans179.1149.3170.448177.410.600109.6Y178 C345 S346Y178-Q377 PolarHBondContact OH-NE2 3.41Å; Y178-Q377 VanDerWaalsContact OH-NE2 3.11Å; C345-Q377 CarbonylContact C-O 3.57Å; C345-Q377 WeakPolarHBondContact CA-O 3.34Å; S346-Q377 VanDerWaalsContact CB-CG 3.44Å; S346-Q377 PolarHBondContact N-O 2.92Å; S346-Q377 PolarHBondContact O-N 2.96Å; S346-Q377 VanDerWaalsContact OG-CG 3.27Å; S346-Q377 WeakPolarHBondContact OG-CG 3.07Å; S346-Q377 PolarHBondContact OG-NE2 3.42Å
378P87Confident93.5Very high67 Ų6733.4 Ų33.444%0.43518%0.175SC..SBendcis-64.8-178.4-22.833.2-37.1000111K344K344-P378 WeakPolarHBondContact O-CD 3.33Å
379D86.1Confident93.5Very high103 Ų10336.2 Ų36.255%0.55119%0.185SC*.SBendtrans53.760.7171.2-54-44.9000113.1R375 G381R375-D379 WeakPolarHBondContact CB-O 3.23Å; R375-D379 PolarHBondContact NE-O 2.84Å; R375-D379 VanDerWaalsContact NE-O 3.12Å; D379-G381 PolarHBondContact O-N 2.69Å
380E90.1Very high93.3Very high52 Ų5236.5 Ų36.524%0.24319%0.19CC..  trans-49.2128.9-180-718517500111.7T183 R375 Y408 L417T183-E380 HydrophobicContact CG2-CB 3.74Å; T183-E380 HydrophobicContact CG2-CG 4.16Å; R375-E380 WeakPolarHBondContact O-CA 3.46Å; E380-Y408 HydrophobicContact CB-CD2 4.43Å; E380-Y408 HydrophobicContact CB-CG 4.46Å; E380-Y408 VanDerWaalsContact O-CB 3.29Å; E380-Y408 WeakPolarHBondContact O-CB 3.29Å; E380-Y408 PolarHBondContact O-N 3.34Å; E380-L417 HydrophobicContact CB-CD2 4.33Å; E380-L417 HydrophobicContact CG-CD2 3.95Å
381G91.9Very high93Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans173.2-179-17600000113.3R375 D379 L406R375-G381 PolarHBondContact N-O 3.28Å; R375-G381 PolarHBondContact O-N 3.38Å; D379-G381 PolarHBondContact O-N 2.69Å; G381-L406 CarbonylContact C-O 3.37Å; G381-L406 WeakPolarHBondContact CA-O 3.45Å
382V93.9Very high92.6Very high13 Ų1340.3 Ų40.38%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-137.4130.3178.6-178.80000108.6L372 T373 I374 L406L372-V382 HydrophobicContact CD1-CG1 3.41Å; L372-V382 VanDerWaalsContact CD1-CG1 3.41Å; T373-V382 CarbonylContact O-C 3.56Å; T373-V382 VanDerWaalsContact O-CA 3.31Å; T373-V382 WeakPolarHBondContact O-CA 3.37Å; I374-V382 HydrophobicContact CG1-CG1 4.38Å; I374-V382 HydrophobicContact CG1-CG2 4.33Å; I374-V382 HydrophobicContact CG2-CG2 4.43Å; V382-L406 PolarHBondContact N-O 2.96Å; V382-L406 PolarHBondContact O-N 2.81Å
383D94.9Very high92.1Very high7 Ų748.6 Ų48.64%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-123.6147.4168.870.785.2000112.3L372 T373 R375 L404 D405L372-D383 WeakPolarHBondContact CA-O 3.14Å; T373-D383 VanDerWaalsContact CB-CG 3.46Å; T373-D383 WeakPolarHBondContact CB-OD1 3.13Å; T373-D383 WeakPolarHBondContact CB-OD2 3.45Å; T373-D383 PolarHBondContact N-O 3.2Å; T373-D383 PolarHBondContact O-N 2.83Å; T373-D383 PolarHBondContact OG1-OD1 2.97Å; T373-D383 PolarHBondContact OG1-OD2 3.34Å; R375-D383 IonicContact CZ-OD2 2.67Å; R375-D383 IonicContact NH1-OD2 3.43Å; R375-D383 PolarHBondContact NH1-OD2 3.41Å; D383-L404 CarbonylContact C-O 3.58Å; D383-L404 VanDerWaalsContact CA-O 3.29Å; D383-L404 WeakPolarHBondContact CA-O 3.32Å; D383-D405 HydrophobicContact CB-CB 4.23Å; D383-D405 WeakPolarHBondContact CB-OD1 3.27Å
384I95.8Very high91.3Very high46 Ų4652.9 Ų52.924%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-117.9116171.2-50.8174.1000108.1F197 K371 L372 V386 K403 L404F197-I384 HydrophobicContact CE1-CD1 4.44Å; F197-I384 HydrophobicContact CZ-CD1 3.74Å; K371-I384 CarbonylContact O-C 3.55Å; K371-I384 WeakPolarHBondContact O-CA 3.22Å; L372-I384 HydrophobicContact CD1-CG1 3.86Å; I384-V386 HydrophobicContact CG2-CG1 3.83Å; I384-K403 CarbonylContact O-C 3.48Å; I384-K403 WeakPolarHBondContact O-CA 3.38Å; I384-L404 HydrophobicContact CB-CB 4.48Å; I384-L404 PolarHBondContact N-O 2.85Å; I384-L404 PolarHBondContact O-N 2.83Å
385Q96.4Very high90.2Very high35 Ų3561.4 Ų61.416%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-84.8120.5171.6-169.2177.9-80.100110.4N370 K371 I401 T402N370-Q385 WeakPolarHBondContact CA-O 3.42Å; N370-Q385 WeakPolarHBondContact CB-O 3.42Å; K371-Q385 HydrophobicContact CB-CB 3.92Å; K371-Q385 PolarHBondContact N-O 2.83Å; K371-Q385 PolarHBondContact O-N 2.91Å; Q385-I401 HydrophobicContact CG-CG2 3.26Å; Q385-T402 WeakPolarHBondContact CA-O 3.24Å
386V96Very high89.5Confident32 Ų3265.2 Ų65.219%0.19435%0.353CS..EExtended strand (participates in β ladder)trans-129.6169.6178.7-60.50000111.3I384 T402I384-V386 HydrophobicContact CG2-CG1 3.83Å; V386-T402 PolarHBondContact N-O 2.77Å; V386-T402 PolarHBondContact O-N 2.7Å
387L94.9Very high89.1Confident39 Ų3971 Ų7120%0.20438%0.38CS..EExtended strand (participates in β ladder)trans-101132.1173.5-58.1176.9000109.9L367 P368 L399 Q400 I401L367-L387 HydrophobicContact CB-CD1 4.31Å; L367-L387 HydrophobicContact CD2-CD1 3.77Å; P368-L387 HydrophobicContact CB-CD2 4.14Å; P368-L387 HydrophobicContact CG-CD2 3.95Å; L387-L399 HydrophobicContact CB-CD1 4.41Å; L387-L399 HydrophobicContact CD1-CD1 4.24Å; L387-Q400 WeakPolarHBondContact CA-O 3.41Å; L387-I401 HydrophobicContact CD2-CG1 3.65Å
388N92.8Very high89.2Confident71 Ų7172 Ų7238%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-129.3156.1176.4-77.3-45.1000110.9V390 L399 Q400 T402N388-V390 PolarHBondContact O-N 3.05Å; N388-L399 CarbonylContact O-C 3.55Å; N388-L399 WeakPolarHBondContact O-CA 3.49Å; N388-Q400 PolarHBondContact N-O 3.11Å; N388-Q400 PolarHBondContact O-N 2.98Å; N388-T402 WeakPolarHBondContact ND2-CB 3.47Å; N388-T402 PolarHBondContact ND2-OG1 2.8Å
389K92.7Very high89.4Confident84 Ų8469.9 Ų69.937%0.36537%0.371SS..EExtended strand (participates in β ladder)trans-63.7136.4169.4-166.1-168.893.174.60109.5P391 G392 N398K389-P391 VanDerWaalsContact O-CD 3.28Å; K389-P391 WeakPolarHBondContact O-CD 3.33Å; K389-G392 PolarHBondContact NZ-O 2.69Å; K389-N398 CarbonylContact C-O 3.6Å; K389-N398 WeakPolarHBondContact CA-O 3.45Å
390V91.7Very high89.8Confident60 Ų6068.6 Ų68.636%0.36436%0.361SS..PPolyproline II helixtrans-59.4121166.1179.40000108.6N388 G392 N398 Q400N388-V390 PolarHBondContact O-N 3.05Å; V390-G392 PolarHBondContact O-N 3.4Å; V390-N398 HydrophobicContact CG2-CB 4.33Å; V390-N398 PolarHBondContact N-O 2.89Å; V390-Q400 HydrophobicContact CG2-CB 3.86Å; V390-Q400 HydrophobicContact CG2-CG 3.91Å
391P90Very high90Very high106 Ų10669.4 Ų69.469%0.68837%0.367SS*.SBendtrans-58.3130.4175.6-24.834.3000110.6K389 Q400K389-P391 VanDerWaalsContact O-CD 3.28Å; K389-P391 WeakPolarHBondContact O-CD 3.33Å; P391-Q400 VanDerWaalsContact CD-NE2 3.26Å
392G88.3Confident90.1Very high53 Ų5371.6 Ų71.655%0.54638%0.38SS..SBendtrans155.5170.5-176.400000113.3K389 V390K389-G392 PolarHBondContact NZ-O 2.69Å; V390-G392 PolarHBondContact O-N 3.4Å
393L84.7Confident90.1Very high173 Ų17374.6 Ų74.691%0.90639%0.392SS*.SBendtrans-88.90.1-176.6-62.7174.3000114.1H395L393-H395 PolarHBondContact O-N 2.83Å
394D79Confident90Very high92 Ų9279.4 Ų79.449%0.49242%0.417SS..  trans-59.4136175.3-167.1-7.2000109.8K396 N398D394-K396 PolarHBondContact O-N 2.85Å; D394-K396 PolarHBondContact OD1-N 2.9Å; D394-N398 PolarHBondContact OD2-ND2 2.77Å; D394-N398 VanDerWaalsContact OD2-ND2 3.08Å
395H72.4Confident89.8Confident179 Ų17981.2 Ų81.283%0.82943%0.428SS*.SBendtrans-71.8-21.4176.9-73.639.4000111.5L393L393-H395 PolarHBondContact O-N 2.83Å
396K79.4Confident89.6Confident124 Ų12482.6 Ų82.654%0.53944%0.436SS..SBendtrans-76.9135.2175.8-64.5-174.5175.6-172.30111.1D394 N398D394-K396 PolarHBondContact O-N 2.85Å; D394-K396 PolarHBondContact OD1-N 2.9Å; K396-N398 PolarHBondContact O-N 3.5Å
397H84Confident89.1Confident122 Ų12281.6 Ų81.657%0.56543%0.43SS*.  trans-79.661.3175.3-73.271.6000110.7F360 L399F360-H397 HydrophobicContact CD1-CB 4.15Å; F360-H397 HydrophobicContact CE1-CB 4.13Å; H397-L399 PolarHBondContact O-N 3.13Å
398N90.4Very high88.6Confident55 Ų5580.8 Ų80.829%0.29442%0.424SS..  trans-66126.6176.4-61.1-32.3000109S363 K389 V390 D394 K396S363-N398 WeakPolarHBondContact OG-CA 3.35Å; K389-N398 CarbonylContact C-O 3.6Å; K389-N398 WeakPolarHBondContact CA-O 3.45Å; V390-N398 HydrophobicContact CG2-CB 4.33Å; V390-N398 PolarHBondContact N-O 2.89Å; D394-N398 PolarHBondContact OD2-ND2 2.77Å; D394-N398 VanDerWaalsContact OD2-ND2 3.08Å; K396-N398 PolarHBondContact O-N 3.5Å
399L93.3Very high88.1Confident22 Ų2280.7 Ų80.712%0.11543%0.43CS..EExtended strand (participates in β ladder)trans-96.4146.5-178.9-60.2-175.8000111.3F360 S363 W364 L367 L387 N388 H397F360-L399 HydrophobicContact CB-CD1 3.58Å; F360-L399 HydrophobicContact CB-CG 4.24Å; F360-L399 HydrophobicContact CD1-CD1 3.98Å; F360-L399 HydrophobicContact CD1-CD2 4.04Å; F360-L399 HydrophobicContact CD1-CG 4.1Å; F360-L399 HydrophobicContact CD2-CD1 4.01Å; F360-L399 HydrophobicContact CE1-CD2 4.23Å; F360-L399 HydrophobicContact CG-CD1 3.6Å; F360-L399 HydrophobicContact CG-CD2 4.49Å; F360-L399 HydrophobicContact CG-CG 4.21Å; S363-L399 PolarHBondContact OG-N 3.47Å; W364-L399 PolarHBondContact NE1-O 3.04Å; L367-L399 HydrophobicContact CD2-CD1 3.89Å; L387-L399 HydrophobicContact CB-CD1 4.41Å; L387-L399 HydrophobicContact CD1-CD1 4.24Å; N388-L399 CarbonylContact O-C 3.55Å; N388-L399 WeakPolarHBondContact O-CA 3.49Å; H397-L399 PolarHBondContact O-N 3.13Å
400Q93.1Very high87.7Confident75 Ų7583.5 Ų83.535%0.3544%0.444SS..EExtended strand (participates in β ladder)trans-130.5154168.159.7177.3-10.500110.3L387 N388 V390 P391L387-Q400 WeakPolarHBondContact CA-O 3.41Å; N388-Q400 PolarHBondContact N-O 3.11Å; N388-Q400 PolarHBondContact O-N 2.98Å; V390-Q400 HydrophobicContact CG2-CB 3.86Å; V390-Q400 HydrophobicContact CG2-CG 3.91Å; P391-Q400 VanDerWaalsContact CD-NE2 3.26Å
401I94.6Very high87.1Confident69 Ų6984.3 Ų84.335%0.35445%0.449SS..EExtended strand (participates in β ladder)trans-76.4137.7171.1-64.7170.7000108.6W364 P368 Q385 L387W364-I401 HydrophobicContact CH2-CD1 3.96Å; W364-I401 HydrophobicContact CZ2-CD1 4.24Å; W364-I401 HydrophobicContact CZ2-CG1 4.39Å; P368-I401 HydrophobicContact CB-CD1 4.18Å; P368-I401 HydrophobicContact CB-CG1 4.49Å; P368-I401 HydrophobicContact CG-CD1 4.04Å; P368-I401 HydrophobicContact CG-CG1 4.28Å; Q385-I401 HydrophobicContact CG-CG2 3.26Å; L387-I401 HydrophobicContact CD2-CG1 3.65Å
402T94Very high86.6Confident46 Ų4684.3 Ų84.328%0.28244%0.438SS..EExtended strand (participates in β ladder)trans-140149175.2-50.60000109.7Q385 V386 N388Q385-T402 WeakPolarHBondContact CA-O 3.24Å; V386-T402 PolarHBondContact N-O 2.77Å; V386-T402 PolarHBondContact O-N 2.7Å; N388-T402 WeakPolarHBondContact ND2-CB 3.47Å; N388-T402 PolarHBondContact ND2-OG1 2.8Å
403K93.7Very high85.5Confident77 Ų7788.2 Ų88.234%0.33545%0.447SS..EExtended strand (participates in β ladder)trans-104.4134.1174.8-66178.3-173.6172.90110.3I384 E491I384-K403 CarbonylContact O-C 3.48Å; I384-K403 WeakPolarHBondContact O-CA 3.38Å; K403-E491 IonicContact NZ-OE1 2.73Å; K403-E491 PolarHBondContact NZ-OE1 3.05Å; K403-E491 IonicContact NZ-OE2 2.86Å; K403-E491 PolarHBondContact NZ-OE2 3.43Å
404L94.1Very high84.5Confident108 Ų10886 Ų8657%0.56543%0.432SS*.EExtended strand (participates in β ladder)trans-95.6105.5159.4-58.4177.2000106.1D383 I384D383-L404 CarbonylContact C-O 3.58Å; D383-L404 VanDerWaalsContact CA-O 3.29Å; D383-L404 WeakPolarHBondContact CA-O 3.32Å; I384-L404 HydrophobicContact CB-CB 4.48Å; I384-L404 PolarHBondContact N-O 2.85Å; I384-L404 PolarHBondContact O-N 2.83Å
405D91.5Very high83.8Confident84 Ų8488.9 Ų88.945%0.44945%0.453SS..EExtended strand (participates in β ladder)trans-111.6136.6-170.1-175.754.5000111.9R375 D383R375-D405 IonicContact CZ-OD1 2.77Å; R375-D405 IonicContact NH1-OD1 3.82Å; R375-D405 PolarHBondContact NH1-OD1 2.9Å; R375-D405 VanDerWaalsContact NH1-OD1 3.11Å; R375-D405 IonicContact NH2-OD1 3.11Å; R375-D405 PolarHBondContact NH2-OD1 2.89Å; R375-D405 IonicContact NH2-OD2 3.91Å; D383-D405 HydrophobicContact CB-CB 4.23Å; D383-D405 WeakPolarHBondContact CB-OD1 3.27Å
406L90.9Very high84.1Confident64 Ų6484.2 Ų84.234%0.33543%0.431SS..EExtended strand (participates in β ladder)trans-12195.1170.3176.569.7000108G381 V382 Y408 T411G381-L406 CarbonylContact C-O 3.37Å; G381-L406 WeakPolarHBondContact CA-O 3.45Å; V382-L406 PolarHBondContact N-O 2.96Å; V382-L406 PolarHBondContact O-N 2.81Å; L406-Y408 HydrophobicContact CD2-CE1 4.04Å; L406-Y408 HydrophobicContact CG-CD1 4.38Å; L406-Y408 HydrophobicContact CG-CE1 4.33Å; L406-T411 HydrophobicContact CD1-CG2 3.8Å; L406-T411 WeakPolarHBondContact CD1-OG1 3.31Å
407S86.9Confident84.1Confident11 Ų1180.9 Ų80.98%0.07742%0.419CS..EExtended strand (participates in β ladder)trans-84.3125.5168.7173.90000110.3S409 T411S407-S409 PolarHBondContact OG-OG 3.41Å; S407-S409 VanDerWaalsContact OG-OG 3.12Å; S407-T411 WeakPolarHBondContact O-CB 3.12Å; S407-T411 PolarHBondContact O-N 3.5Å; S407-T411 PolarHBondContact O-OG1 2.92Å
408Y83.9Confident84.2Confident21 Ų2176.1 Ų76.18%0.08240%0.401CS..Hα-helixtrans-69.7-40.2-176.5-80.929.1000111.7E182 T183 N186 E380 L406 E410 F412 L417E182-Y408 HydrophobicContact CG-CD2 4.45Å; E182-Y408 HydrophobicContact CG-CE2 3.93Å; T183-Y408 HydrophobicContact CG2-CE2 4.03Å; N186-Y408 WeakPolarHBondContact CB-OH 3.44Å; N186-Y408 PolarHBondContact ND2-OH 2.84Å; E380-Y408 HydrophobicContact CB-CD2 4.43Å; E380-Y408 HydrophobicContact CB-CG 4.46Å; E380-Y408 VanDerWaalsContact O-CB 3.29Å; E380-Y408 WeakPolarHBondContact O-CB 3.29Å; E380-Y408 PolarHBondContact O-N 3.34Å; L406-Y408 HydrophobicContact CD2-CE1 4.04Å; L406-Y408 HydrophobicContact CG-CD1 4.38Å; L406-Y408 HydrophobicContact CG-CE1 4.33Å; Y408-E410 VanDerWaalsContact C-N 3.34Å; Y408-E410 PolarHBondContact O-N 3.42Å; Y408-F412 HydrophobicContact CD1-CD2 4.4Å; Y408-F412 AromaticContact CD1-CE2 3.88Å; Y408-F412 HydrophobicContact CD1-CE2 3.88Å; Y408-F412 HydrophobicContact CD2-CD2 4.36Å; Y408-F412 HydrophobicContact CD2-CE2 4.22Å; Y408-F412 HydrophobicContact CE1-CE2 4.18Å; Y408-F412 HydrophobicContact CE2-CE2 4.49Å; Y408-F412 HydrophobicContact CG-CD2 4.02Å; Y408-F412 AromaticContact CG-CE2 3.9Å; Y408-F412 HydrophobicContact CG-CE2 3.9Å; Y408-F412 WeakPolarHBondContact O-CB 3.44Å; Y408-F412 WeakPolarHBondContact O-CD2 3.47Å; Y408-F412 PolarHBondContact O-N 3.29Å; Y408-L417 HydrophobicContact CD2-CD1 4.34Å
409S81.8Confident84.1Confident70 Ų7076.2 Ų76.249%0.4940%0.402SS..Hα-helixtrans-62-43.517954.60000111.3S407S407-S409 PolarHBondContact OG-OG 3.41Å; S407-S409 VanDerWaalsContact OG-OG 3.12Å
410E83.4Confident84Confident142 Ų14275.6 Ų75.666%0.66440%0.399SS*.Hα-helixtrans-74.7-40.7179.8-62.9-177.9174.600112.8Y408 N413Y408-E410 VanDerWaalsContact C-N 3.34Å; Y408-E410 PolarHBondContact O-N 3.42Å; E410-N413 PolarHBondContact O-OD1 3.14Å
411T81Confident84.1Confident77 Ų7772.8 Ų72.847%0.47239%0.386SS..Hα-helixtrans-80.2-43.1-171.4-55.40000112.2L406 S407L406-T411 HydrophobicContact CD1-CG2 3.8Å; L406-T411 WeakPolarHBondContact CD1-OG1 3.31Å; S407-T411 WeakPolarHBondContact O-CB 3.12Å; S407-T411 PolarHBondContact O-N 3.5Å; S407-T411 PolarHBondContact O-OG1 2.92Å
412F78.9Confident84.1Confident106 Ų10670.4 Ų70.447%0.46537%0.373SS..Hα-helixtrans-91.5-8.5-173.3-60-64000113.2Y408 Q414Y408-F412 HydrophobicContact CD1-CD2 4.4Å; Y408-F412 AromaticContact CD1-CE2 3.88Å; Y408-F412 HydrophobicContact CD1-CE2 3.88Å; Y408-F412 HydrophobicContact CD2-CD2 4.36Å; Y408-F412 HydrophobicContact CD2-CE2 4.22Å; Y408-F412 HydrophobicContact CE1-CE2 4.18Å; Y408-F412 HydrophobicContact CE2-CE2 4.49Å; Y408-F412 HydrophobicContact CG-CD2 4.02Å; Y408-F412 AromaticContact CG-CE2 3.9Å; Y408-F412 HydrophobicContact CG-CE2 3.9Å; Y408-F412 WeakPolarHBondContact O-CB 3.44Å; Y408-F412 WeakPolarHBondContact O-CD2 3.47Å; Y408-F412 PolarHBondContact O-N 3.29Å; F412-Q414 HydrophobicContact CB-CG 4.02Å; F412-Q414 PolarHBondContact O-N 2.98Å
413N64.2Low84.2Confident136 Ų13671.3 Ų71.373%0.72737%0.371SS*.  trans45.826.8-176.7-75.8-32.5000112.9E410 T415E410-N413 PolarHBondContact O-OD1 3.14Å; N413-T415 PolarHBondContact O-N 2.8Å
414Q64.2Low84.3Confident125 Ų12567.7 Ų67.758%0.58436%0.356SS*.  trans-78.3119.6-178.1-76.5-173.9-1000107.8F412 H416F412-Q414 HydrophobicContact CB-CG 4.02Å; F412-Q414 PolarHBondContact O-N 2.98Å; Q414-H416 PolarHBondContact O-N 2.81Å
415T65.2Low84.4Confident154 Ų15462.7 Ų62.795%0.94533%0.33SS*.SBendtrans-64.8-18.7173.444.40000112.3N413N413-T415 PolarHBondContact O-N 2.8Å
416H77.4Confident84.6Confident80 Ų8059 Ų5937%0.3731%0.31SS..  trans-141.6117.5-179.7-176.264.5000111.4Q414 E422Q414-H416 PolarHBondContact O-N 2.81Å; H416-E422 IonicContact CD2-OE2 2.72Å; H416-E422 IonicContact CE1-OE2 2.8Å; H416-E422 IonicContact NE2-OE1 2.65Å; H416-E422 IonicContact NE2-OE2 3.37Å; H416-E422 PolarHBondContact NE2-OE2 3.3Å
417L79.9Confident84.8Confident55 Ų5557 Ų5729%0.28830%0.299SS..PPolyproline II helixtrans-93.9124.4163.9-163.983.3000107.3E182 E380 Y408 D419E182-L417 HydrophobicContact CB-CD1 4.33Å; E182-L417 HydrophobicContact CB-CD2 4.27Å; E182-L417 HydrophobicContact CB-CG 4.45Å; E182-L417 HydrophobicContact CG-CD1 4.27Å; E380-L417 HydrophobicContact CB-CD2 4.33Å; E380-L417 HydrophobicContact CG-CD2 3.95Å; Y408-L417 HydrophobicContact CD2-CD1 4.34Å; L417-D419 PolarHBondContact O-N 2.93Å
418A85.5Confident85.2Confident21 Ų2156.5 Ų56.517%0.17430%0.295CS..PPolyproline II helixtrans-54.8128.3-178.500000111.2E422A418-E422 HydrophobicContact CB-CB 4.4Å; A418-E422 HydrophobicContact CB-CG 4.43Å; A418-E422 VanDerWaalsContact CB-OE1 3.23Å; A418-E422 WeakPolarHBondContact CB-OE1 3.31Å
419D87.9Confident85.8Confident58 Ų5855.6 Ų55.631%0.3129%0.292SS..PPolyproline II helixtrans-65.1152.6171.3179.1100.7000109.4K25 L417 Y421 E422 R423K25-D419 IonicContact NZ-OD1 2.69Å; K25-D419 PolarHBondContact NZ-OD1 2.75Å; K25-D419 IonicContact NZ-OD2 3.44Å; L417-D419 PolarHBondContact O-N 2.93Å; D419-Y421 PolarHBondContact O-N 2.84Å; D419-Y421 VanDerWaalsContact O-N 3.12Å; D419-Y421 WeakPolarHBondContact OD2-CD2 3.14Å; D419-Y421 PolarHBondContact OD2-N 2.89Å; D419-E422 VanDerWaalsContact O-CB 3.25Å; D419-E422 WeakPolarHBondContact O-CB 2.96Å; D419-E422 PolarHBondContact O-N 2.87Å; D419-R423 PolarHBondContact O-N 2.89Å
420A92.5Very high86.4Confident8 Ų855 Ų557%0.06628%0.279CS..Hα-helixtrans-50.9-39.4178.800000113.5H177 R423 L424H177-A420 HydrophobicContact CB-CB 4.11Å; H177-A420 WeakPolarHBondContact O-CB 2.96Å; A420-R423 PolarHBondContact O-N 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.26Å; A420-L424 WeakPolarHBondContact O-CD1 3.48Å; A420-L424 WeakPolarHBondContact O-CG 3.47Å; A420-L424 PolarHBondContact O-N 2.8Å
421Y95.6Very high86.9Confident17 Ų1749.5 Ų49.57%0.06726%0.26CS..Hα-helixtrans-70.6-32.7179-77.8-90.8000113L21 K25 L26 S29 Y116 E146 H177 D419 R423 L424 L425L21-Y421 HydrophobicContact CD1-CE1 3.82Å; L21-Y421 WeakPolarHBondContact CD1-OH 3.11Å; K25-Y421 HydrophobicContact CB-CD1 4.26Å; K25-Y421 HydrophobicContact CB-CD2 3.93Å; K25-Y421 HydrophobicContact CB-CE1 4.46Å; K25-Y421 HydrophobicContact CB-CE2 4.19Å; K25-Y421 HydrophobicContact CB-CG 3.97Å; K25-Y421 HydrophobicContact CD-CD2 3.91Å; K25-Y421 HydrophobicContact CD-CE2 4.18Å; K25-Y421 HydrophobicContact CG-CD2 4.01Å; K25-Y421 HydrophobicContact CG-CE2 3.97Å; L26-Y421 HydrophobicContact CD2-CD1 3.54Å; L26-Y421 HydrophobicContact CD2-CE1 4Å; L26-Y421 HydrophobicContact CD2-CG 4.49Å; S29-Y421 WeakPolarHBondContact OG-CB 3.49Å; Y116-Y421 WeakPolarHBondContact OH-CE1 3.3Å; E146-Y421 WeakPolarHBondContact OE1-CE1 3.48Å; E146-Y421 PolarHBondContact OE1-OH 2.91Å; H177-Y421 HydrophobicContact CB-CD2 4.5Å; H177-Y421 HydrophobicContact CB-CE2 3.89Å; D419-Y421 PolarHBondContact O-N 2.84Å; D419-Y421 VanDerWaalsContact O-N 3.12Å; D419-Y421 WeakPolarHBondContact OD2-CD2 3.14Å; D419-Y421 PolarHBondContact OD2-N 2.89Å; Y421-R423 VanDerWaalsContact C-N 3.35Å; Y421-L424 PolarHBondContact O-N 2.81Å; Y421-L425 VanDerWaalsContact O-CB 3.27Å; Y421-L425 WeakPolarHBondContact O-CB 3.32Å; Y421-L425 VanDerWaalsContact O-CG 3.22Å; Y421-L425 WeakPolarHBondContact O-CG 3.14Å; Y421-L425 PolarHBondContact O-N 2.78Å
422E94.6Very high87.4Confident19 Ų1949.4 Ų49.49%0.08926%0.256CS..Hα-helixtrans-60.3-48.9173.9-170.3-172.2119.700110S29 Q32 L33 H416 A418 D419 L426S29-E422 PolarHBondContact OG-N 3.35Å; Q32-E422 HydrophobicContact CB-CG 4.32Å; Q32-E422 WeakPolarHBondContact CB-OE2 3.32Å; L33-E422 HydrophobicContact CD2-CG 3.54Å; L33-E422 HydrophobicContact CG-CG 3.69Å; H416-E422 IonicContact CD2-OE2 2.72Å; H416-E422 IonicContact CE1-OE2 2.8Å; H416-E422 IonicContact NE2-OE1 2.65Å; H416-E422 IonicContact NE2-OE2 3.37Å; H416-E422 PolarHBondContact NE2-OE2 3.3Å; A418-E422 HydrophobicContact CB-CB 4.4Å; A418-E422 HydrophobicContact CB-CG 4.43Å; A418-E422 VanDerWaalsContact CB-OE1 3.23Å; A418-E422 WeakPolarHBondContact CB-OE1 3.31Å; D419-E422 VanDerWaalsContact O-CB 3.25Å; D419-E422 WeakPolarHBondContact O-CB 2.96Å; D419-E422 PolarHBondContact O-N 2.87Å; E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 PolarHBondContact O-N 2.99Å; E422-L426 VanDerWaalsContact O-N 3.17Å
423R94.3Very high88Confident64 Ų6445.3 Ų45.324%0.24224%0.238CC..Hα-helixtrans-60.5-53.6175.7-178.468.869.3-160.72.1111.5E182 L185 D419 A420 Y421 L425 L426 E427 L435E182-R423 IonicContact OE2-CZ 3.61Å; E182-R423 IonicContact OE2-NH2 2.86Å; E182-R423 PolarHBondContact OE2-NH2 3.29Å; L185-R423 HydrophobicContact CD1-CG 4.33Å; D419-R423 PolarHBondContact O-N 2.89Å; A420-R423 PolarHBondContact O-N 3.28Å; Y421-R423 VanDerWaalsContact C-N 3.35Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 2.92Å; R423-L426 WeakPolarHBondContact O-CB 3.44Å; R423-L426 PolarHBondContact O-N 3.42Å; R423-L426 VanDerWaalsContact O-N 3.15Å; R423-E427 HydrophobicContact CG-CG 4.33Å; R423-E427 WeakPolarHBondContact O-CG 3.41Å; R423-E427 PolarHBondContact O-N 3.02Å; R423-L435 HydrophobicContact CG-CD1 3.87Å
424L96.1Very high89.2Confident1 Ų139.7 Ų39.71%0.00521%0.211CC..Hα-helixtrans-65.7-36.6-173.5-67.6168.3000112.3I175 H177 A420 Y421 T428 L435 F436I175-L424 HydrophobicContact CD1-CB 3.94Å; I175-L424 HydrophobicContact CD1-CD1 3.92Å; I175-L424 HydrophobicContact CD1-CG 4.39Å; I175-L424 HydrophobicContact CG2-CD1 4.19Å; H177-L424 HydrophobicContact CB-CD1 4.37Å; A420-L424 WeakPolarHBondContact O-CB 3.26Å; A420-L424 WeakPolarHBondContact O-CD1 3.48Å; A420-L424 WeakPolarHBondContact O-CG 3.47Å; A420-L424 PolarHBondContact O-N 2.8Å; Y421-L424 PolarHBondContact O-N 2.81Å; L424-T428 WeakPolarHBondContact O-CB 3.22Å; L424-T428 PolarHBondContact O-N 3.03Å; L424-T428 PolarHBondContact O-OG1 3.03Å; L424-L435 HydrophobicContact CD2-CB 3.68Å; L424-L435 HydrophobicContact CD2-CD1 4.27Å; L424-F436 HydrophobicContact CB-CE1 4.45Å; L424-F436 HydrophobicContact CB-CZ 4.26Å; L424-F436 HydrophobicContact CD2-CE1 4.16Å; L424-F436 HydrophobicContact CD2-CE2 4.34Å; L424-F436 HydrophobicContact CD2-CZ 3.94Å; L424-F436 WeakPolarHBondContact O-CZ 3.24Å
425L96.7Very high90.6Very high4 Ų434.8 Ų34.82%0.02119%0.188CC..Hα-helixtrans-61.8-46.2172.4-75.6170.5000111.1L12 L26 L30 L33 Y116 Y421 R423 E427 T428 M429L12-L425 HydrophobicContact CD2-CD2 4.44Å; L26-L425 HydrophobicContact CD2-CD1 4.32Å; L30-L425 HydrophobicContact CD2-CD1 4.29Å; L30-L425 HydrophobicContact CG-CD1 4.15Å; L33-L425 HydrophobicContact CD1-CB 4.07Å; Y116-L425 HydrophobicContact CD2-CD2 3.7Å; Y116-L425 HydrophobicContact CE2-CD2 3.62Å; Y421-L425 VanDerWaalsContact O-CB 3.27Å; Y421-L425 WeakPolarHBondContact O-CB 3.32Å; Y421-L425 VanDerWaalsContact O-CG 3.22Å; Y421-L425 WeakPolarHBondContact O-CG 3.14Å; Y421-L425 PolarHBondContact O-N 2.78Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 2.92Å; L425-E427 PolarHBondContact O-N 3.26Å; L425-T428 WeakPolarHBondContact O-CB 3.41Å; L425-T428 PolarHBondContact O-N 2.88Å; L425-M429 VanDerWaalsContact O-CG 3.3Å; L425-M429 WeakPolarHBondContact O-CG 3.4Å; L425-M429 PolarHBondContact O-N 3.48Å
426L95.6Very high92Very high7 Ų727.4 Ų27.44%0.03714%0.143CC..Hα-helixtrans-62.6-44178.9-176.258.1000112.4A7 L33 Q38 E422 R423 T428 M429 R430A7-L426 HydrophobicContact CB-CD1 4.04Å; L33-L426 HydrophobicContact CD1-CB 4.37Å; L33-L426 HydrophobicContact CD2-CB 3.95Å; L33-L426 HydrophobicContact CD2-CD1 4.45Å; L33-L426 HydrophobicContact CD2-CD2 4.06Å; L33-L426 HydrophobicContact CD2-CG 4.38Å; Q38-L426 HydrophobicContact CB-CD1 4.01Å; Q38-L426 HydrophobicContact CB-CD2 4.23Å; Q38-L426 HydrophobicContact CG-CD2 4.2Å; E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 PolarHBondContact O-N 2.99Å; E422-L426 VanDerWaalsContact O-N 3.17Å; R423-L426 WeakPolarHBondContact O-CB 3.44Å; R423-L426 PolarHBondContact O-N 3.42Å; R423-L426 VanDerWaalsContact O-N 3.15Å; L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 3.33Å; L426-M429 PolarHBondContact O-N 3.32Å; L426-M429 VanDerWaalsContact O-N 3.17Å; L426-R430 WeakPolarHBondContact O-CG 3.49Å; L426-R430 PolarHBondContact O-N 2.92Å
427E95Very high92.9Very high21 Ų2124.1 Ų24.110%0.09813%0.129CC..Hα-helixtrans-65-36.9177-65.3-52.1128.800111.7R423 L425 M429 R430 G431 I432 L435 F436R423-E427 HydrophobicContact CG-CG 4.33Å; R423-E427 WeakPolarHBondContact O-CG 3.41Å; R423-E427 PolarHBondContact O-N 3.02Å; L425-E427 PolarHBondContact O-N 3.26Å; E427-M429 PolarHBondContact O-N 3.5Å; E427-R430 PolarHBondContact O-N 3.32Å; E427-R430 IonicContact OE1-NH1 2.73Å; E427-R430 PolarHBondContact OE1-NH1 3.41Å; E427-G431 PolarHBondContact O-N 3.38Å; E427-I432 PolarHBondContact O-N 3.05Å; E427-I432 VanDerWaalsContact OE2-CB 3.28Å; E427-I432 WeakPolarHBondContact OE2-CB 3.13Å; E427-I432 VanDerWaalsContact OE2-CD1 3.26Å; E427-I432 WeakPolarHBondContact OE2-CD1 3.37Å; E427-I432 WeakPolarHBondContact OE2-CG2 3.44Å; E427-L435 HydrophobicContact CG-CD1 3.99Å; E427-F436 HydrophobicContact CB-CE2 3.97Å; E427-F436 HydrophobicContact CB-CZ 4.37Å
428T96Very high93.7Very high1 Ų123 Ų231%0.00612%0.121CC..Hα-helixtrans-61.5-43.9171.6-54.50000111I114 R142 V144 Y173 L424 L425 L426 R430 G431 F436I114-T428 HydrophobicContact CD1-CG2 4.32Å; I114-T428 HydrophobicContact CG2-CG2 3.59Å; R142-T428 WeakPolarHBondContact CD-O 3Å; R142-T428 PolarHBondContact NH1-O 3.27Å; V144-T428 HydrophobicContact CG2-CG2 3.41Å; V144-T428 VanDerWaalsContact CG2-CG2 3.41Å; Y173-T428 HydrophobicContact CD1-CG2 4.22Å; Y173-T428 HydrophobicContact CG-CG2 4.23Å; L424-T428 WeakPolarHBondContact O-CB 3.22Å; L424-T428 PolarHBondContact O-N 3.03Å; L424-T428 PolarHBondContact O-OG1 3.03Å; L425-T428 WeakPolarHBondContact O-CB 3.41Å; L425-T428 PolarHBondContact O-N 2.88Å; L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 3.33Å; T428-R430 VanDerWaalsContact C-N 3.31Å; T428-R430 PolarHBondContact O-N 2.72Å; T428-G431 PolarHBondContact O-N 2.87Å; T428-F436 VanDerWaalsContact OG1-CZ 3.23Å; T428-F436 WeakPolarHBondContact OG1-CZ 3.42Å
429M96Very high94.2Very high1 Ų125.3 Ų25.31%0.00513%0.125CC..Hα-helixtrans-66.6-32.7178.1-66.3171.7-18000112.4A7 L12 L30 L39 I114 R142 L425 L426 E427 G431A7-M429 HydrophobicContact CB-CB 3.67Å; A7-M429 HydrophobicContact CB-SD 4.34Å; L12-M429 HydrophobicContact CD2-CE 3.81Å; L30-M429 HydrophobicContact CD2-CE 3.73Å; L39-M429 HydrophobicContact CD2-CE 3.81Å; L39-M429 HydrophobicContact CD2-SD 3.56Å; L39-M429 VanDerWaalsContact CD2-SD 3.56Å; I114-M429 HydrophobicContact CD1-CB 4.24Å; I114-M429 HydrophobicContact CD1-CG 3.86Å; R142-M429 VanDerWaalsContact NH1-C 3.34Å; R142-M429 PolarHBondContact NH1-O 3.19Å; L425-M429 VanDerWaalsContact O-CG 3.3Å; L425-M429 WeakPolarHBondContact O-CG 3.4Å; L425-M429 PolarHBondContact O-N 3.48Å; L426-M429 PolarHBondContact O-N 3.32Å; L426-M429 VanDerWaalsContact O-N 3.17Å; E427-M429 PolarHBondContact O-N 3.5Å; M429-G431 VanDerWaalsContact C-N 3.34Å
430R94.1Very high94.6Very high58 Ų5824.8 Ų24.822%0.21912%0.122CC..Hα-helixtrans-76.7-18.6173.5-72.4175.5170.3150.75.2113.9Q5 L426 E427 T428 I432Q5-R430 PolarHBondContact O-NE 3.43Å; Q5-R430 VanDerWaalsContact O-NE 3.17Å; Q5-R430 PolarHBondContact O-NH2 3.11Å; L426-R430 WeakPolarHBondContact O-CG 3.49Å; L426-R430 PolarHBondContact O-N 2.92Å; E427-R430 PolarHBondContact O-N 3.32Å; E427-R430 IonicContact OE1-NH1 2.73Å; E427-R430 PolarHBondContact OE1-NH1 3.41Å; T428-R430 VanDerWaalsContact C-N 3.31Å; T428-R430 PolarHBondContact O-N 2.72Å; R430-I432 HydrophobicContact CB-CD1 3.97Å; R430-I432 HydrophobicContact CB-CG1 4.12Å
431G94Very high94.9Very high27 Ų2724.4 Ų24.428%0.27812%0.119SC..THydrogen-bonded Turntrans82.322.8-177.900000113.8Y173 E427 T428 M429Y173-G431 VanDerWaalsContact OH-CA 3.23Å; Y173-G431 WeakPolarHBondContact OH-CA 3.45Å; Y173-G431 PolarHBondContact OH-O 2.94Å; Y173-G431 VanDerWaalsContact OH-O 3.1Å; E427-G431 PolarHBondContact O-N 3.38Å; T428-G431 PolarHBondContact O-N 2.87Å; M429-G431 VanDerWaalsContact C-N 3.34Å
432I91.6Very high94.9Very high75 Ų7524 Ų2439%0.38512%0.118SC..  trans-97.1117.2-177.1-63.6170.4000109.5E427 R430 A434 F436E427-I432 PolarHBondContact O-N 3.05Å; E427-I432 VanDerWaalsContact OE2-CB 3.28Å; E427-I432 WeakPolarHBondContact OE2-CB 3.13Å; E427-I432 VanDerWaalsContact OE2-CD1 3.26Å; E427-I432 WeakPolarHBondContact OE2-CD1 3.37Å; E427-I432 WeakPolarHBondContact OE2-CG2 3.44Å; R430-I432 HydrophobicContact CB-CD1 3.97Å; R430-I432 HydrophobicContact CB-CG1 4.12Å; I432-A434 HydrophobicContact CG2-CB 4.11Å; I432-F436 WeakPolarHBondContact O-CD2 3Å; I432-F436 VanDerWaalsContact O-CE2 3.26Å; I432-F436 WeakPolarHBondContact O-CE2 3.42Å
433Q92.5Very high95Very high19 Ų1924.3 Ų24.39%0.08912%0.12CC..  trans-91.62.9-176-71.9-172.3-62.400114.8E169 V172 Y173 A257 L435 F436E169-Q433 PolarHBondContact O-NE2 2.89Å; V172-Q433 PolarHBondContact O-NE2 3.12Å; Y173-Q433 HydrophobicContact CD1-CG 4.2Å; Y173-Q433 HydrophobicContact CE1-CB 4.44Å; Y173-Q433 HydrophobicContact CE1-CG 3.55Å; Y173-Q433 HydrophobicContact CE2-CG 4.12Å; Y173-Q433 VanDerWaalsContact CZ-CG 3.48Å; A257-Q433 HydrophobicContact CB-CB 4.01Å; Q433-L435 PolarHBondContact O-N 2.83Å; Q433-L435 VanDerWaalsContact O-N 3.12Å; Q433-F436 PolarHBondContact O-N 3.05Å
434A89.4Confident95.2Very high18 Ų1823 Ų2315%0.14912%0.116CC..THydrogen-bonded Turntrans-61.1-27.6-171.200000113.8A257 I260 I432A257-A434 HydrophobicContact CB-CB 4.03Å; I260-A434 HydrophobicContact CD1-CB 4.41Å; I432-A434 HydrophobicContact CG2-CB 4.11Å
435L92.3Very high95.3Very high22 Ų2223 Ų2312%0.11512%0.116CC..THydrogen-bonded Turntrans-98.812.1-179.2-51.2-172.5000113.7L179 L185 R423 L424 E427 Q433L179-L435 HydrophobicContact CB-CB 4.39Å; L179-L435 VanDerWaalsContact CD1-O 3.32Å; L179-L435 WeakPolarHBondContact CD1-O 3.42Å; L185-L435 HydrophobicContact CD1-CD1 4.45Å; L185-L435 HydrophobicContact CD2-CD1 3.71Å; L185-L435 HydrophobicContact CD2-CD2 3.18Å; L185-L435 HydrophobicContact CD2-CG 4.07Å; R423-L435 HydrophobicContact CG-CD1 3.87Å; L424-L435 HydrophobicContact CD2-CB 3.68Å; L424-L435 HydrophobicContact CD2-CD1 4.27Å; E427-L435 HydrophobicContact CG-CD1 3.99Å; Q433-L435 PolarHBondContact O-N 2.83Å; Q433-L435 VanDerWaalsContact O-N 3.12Å
436F95.5Very high95.4Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-119.3141.1-174.6-60.1-93.1000110.3Y173 R174 I175 R261 L424 E427 T428 I432 Q433Y173-F436 HydrophobicContact CD1-CB 4.5Å; Y173-F436 AromaticContact CD1-CD1 3.77Å; Y173-F436 HydrophobicContact CD1-CD1 3.77Å; Y173-F436 AromaticContact CD1-CD2 3.55Å; Y173-F436 HydrophobicContact CD1-CD2 3.55Å; Y173-F436 AromaticContact CD1-CE1 3.73Å; Y173-F436 HydrophobicContact CD1-CE1 3.73Å; Y173-F436 AromaticContact CD1-CE2 3.54Å; Y173-F436 HydrophobicContact CD1-CE2 3.54Å; Y173-F436 AromaticContact CD1-CG 3.66Å; Y173-F436 HydrophobicContact CD1-CG 3.66Å; Y173-F436 AromaticContact CD1-CZ 3.62Å; Y173-F436 HydrophobicContact CD1-CZ 3.62Å; Y173-F436 HydrophobicContact CE1-CD2 4.09Å; Y173-F436 HydrophobicContact CE1-CE2 4.02Å; Y173-F436 HydrophobicContact CE1-CZ 4.42Å; Y173-F436 HydrophobicContact CG-CD1 4.13Å; Y173-F436 HydrophobicContact CG-CE1 4.24Å; Y173-F436 HydrophobicContact CG-CG 4.28Å; R174-F436 WeakPolarHBondContact O-CA 3.37Å; I175-F436 HydrophobicContact CD1-CD1 4.17Å; I175-F436 HydrophobicContact CD1-CE1 3.62Å; R261-F436 WeakPolarHBondContact CD-O 3.43Å; L424-F436 HydrophobicContact CB-CE1 4.45Å; L424-F436 HydrophobicContact CB-CZ 4.26Å; L424-F436 HydrophobicContact CD2-CE1 4.16Å; L424-F436 HydrophobicContact CD2-CE2 4.34Å; L424-F436 HydrophobicContact CD2-CZ 3.94Å; L424-F436 WeakPolarHBondContact O-CZ 3.24Å; E427-F436 HydrophobicContact CB-CE2 3.97Å; E427-F436 HydrophobicContact CB-CZ 4.37Å; T428-F436 VanDerWaalsContact OG1-CZ 3.23Å; T428-F436 WeakPolarHBondContact OG1-CZ 3.42Å; I432-F436 WeakPolarHBondContact O-CD2 3Å; I432-F436 VanDerWaalsContact O-CE2 3.26Å; I432-F436 WeakPolarHBondContact O-CE2 3.42Å; Q433-F436 PolarHBondContact O-N 3.05Å
437V95.8Very high95.5Very high10 Ų1027 Ų276%0.06113%0.133CC..EExtended strand (participates in β ladder)trans-77128.4-174-163.90000109.5R174 D176 L179 E441 V442R174-V437 HydrophobicContact CB-CB 4.16Å; R174-V437 WeakPolarHBondContact CB-O 3.33Å; R174-V437 WeakPolarHBondContact CD-O 3.04Å; R174-V437 PolarHBondContact NH1-O 2.91Å; R174-V437 PolarHBondContact O-N 2.82Å; R174-V437 VanDerWaalsContact O-N 3.12Å; D176-V437 HydrophobicContact CB-CG2 3.82Å; L179-V437 HydrophobicContact CD1-CG2 4.2Å; V437-E441 HydrophobicContact CG1-CB 3.89Å; V437-E441 HydrophobicContact CG1-CG 3.91Å; V437-V442 HydrophobicContact CB-CG2 4.1Å; V437-V442 HydrophobicContact CG1-CG2 3.45Å; V437-V442 VanDerWaalsContact CG1-CG2 3.45Å
438R95.9Very high95.7Very high32 Ų3226.5 Ų26.512%0.12113%0.131CC..  trans-80.3156177.1-159.1167.263.9-166.61.2110.4E169 D258 D262 D440 E441 V442E169-R438 HydrophobicContact CG-CG 4.09Å; E169-R438 WeakPolarHBondContact OE1-CA 3.45Å; E169-R438 WeakPolarHBondContact OE1-CG 3.3Å; D258-R438 IonicContact OD1-NH1 2.81Å; D258-R438 PolarHBondContact OD1-NH1 2.54Å; D262-R438 IonicContact OD1-CZ 2.7Å; D262-R438 IonicContact OD1-NH1 2.78Å; D262-R438 PolarHBondContact OD1-NH1 3.44Å; D262-R438 IonicContact OD1-NH2 3.44Å; D262-R438 PolarHBondContact OD1-NH2 3.39Å; R438-D440 VanDerWaalsContact CB-OD1 3.25Å; R438-D440 WeakPolarHBondContact CB-OD1 3.36Å; R438-D440 WeakPolarHBondContact CG-OD1 3.24Å; R438-D440 IonicContact CZ-OD1 3.09Å; R438-D440 IonicContact CZ-OD2 3.09Å; R438-D440 IonicContact NE-OD1 3.57Å; R438-D440 PolarHBondContact NE-OD1 3.3Å; R438-D440 IonicContact NE-OD2 3.22Å; R438-D440 PolarHBondContact NE-OD2 3.28Å; R438-D440 IonicContact NH2-OD1 3.9Å; R438-D440 IonicContact NH2-OD2 2.71Å; R438-D440 PolarHBondContact NH2-OD2 2.92Å; R438-D440 PolarHBondContact O-N 2.66Å; R438-E441 HydrophobicContact CB-CB 4.34Å; R438-E441 VanDerWaalsContact O-CB 3.3Å; R438-E441 WeakPolarHBondContact O-CB 2.98Å; R438-E441 PolarHBondContact O-N 3.05Å; R438-E441 VanDerWaalsContact O-N 3.14Å; R438-V442 PolarHBondContact O-N 3.44Å
439R96.7Very high95.8Very high69 Ų6926.5 Ų26.526%0.2613%0.13SC..Hα-helixtrans-53.6-50.8-179.5-178.1177.2167.9156.12112.9N160 D161 E169 E441 V442 E443N160-R439 HydrophobicContact CB-CG 4.28Å; D161-R439 IonicContact OD1-CZ 3.96Å; D161-R439 IonicContact OD1-NH1 2.71Å; D161-R439 PolarHBondContact OD1-NH1 3.38Å; D161-R439 IonicContact OD1-NH2 3.78Å; D161-R439 PolarHBondContact OD1-NH2 2.9Å; D161-R439 IonicContact OD2-NH2 2.71Å; E169-R439 PolarHBondContact OE1-N 2.93Å; R439-E441 VanDerWaalsContact C-N 3.26Å; R439-E441 PolarHBondContact O-N 2.86Å; R439-V442 PolarHBondContact O-N 3.24Å; R439-E443 IonicContact CZ-OE1 3.53Å; R439-E443 IonicContact NE-OE1 3.93Å; R439-E443 PolarHBondContact NE-OE1 3.19Å; R439-E443 IonicContact NH2-OE1 2.61Å; R439-E443 PolarHBondContact NH2-OE1 3.24Å; R439-E443 WeakPolarHBondContact O-CG 3.43Å; R439-E443 PolarHBondContact O-N 3.4Å
440D97.3Very high95.9Very high47 Ų4727.3 Ų27.325%0.25114%0.135SC..Hα-helixtrans-62.5-34.5179.361.4-24.6000112.1R438 E443 E444R438-D440 VanDerWaalsContact CB-OD1 3.25Å; R438-D440 WeakPolarHBondContact CB-OD1 3.36Å; R438-D440 WeakPolarHBondContact CG-OD1 3.24Å; R438-D440 IonicContact CZ-OD1 3.09Å; R438-D440 IonicContact CZ-OD2 3.09Å; R438-D440 IonicContact NE-OD1 3.57Å; R438-D440 PolarHBondContact NE-OD1 3.3Å; R438-D440 IonicContact NE-OD2 3.22Å; R438-D440 PolarHBondContact NE-OD2 3.28Å; R438-D440 IonicContact NH2-OD1 3.9Å; R438-D440 IonicContact NH2-OD2 2.71Å; R438-D440 PolarHBondContact NH2-OD2 2.92Å; R438-D440 PolarHBondContact O-N 2.66Å; D440-E443 PolarHBondContact O-N 2.98Å; D440-E444 WeakPolarHBondContact O-CG 3.34Å; D440-E444 PolarHBondContact O-N 3.38Å
441E97.1Very high96.1Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-62.4-46172.8-164.9-176.7167.900112Q242 K264 V265 L268 V437 R438 R439 A445Q242-E441 PolarHBondContact NE2-OE1 3.15Å; Q242-E441 PolarHBondContact OE1-OE1 3.09Å; K264-E441 WeakPolarHBondContact CE-OE1 3.46Å; K264-E441 IonicContact NZ-OE1 3.75Å; K264-E441 PolarHBondContact NZ-OE1 2.98Å; K264-E441 IonicContact NZ-OE2 2.94Å; K264-E441 PolarHBondContact NZ-OE2 3.42Å; V265-E441 HydrophobicContact CG2-CB 3.78Å; V265-E441 HydrophobicContact CG2-CG 4.17Å; L268-E441 HydrophobicContact CD1-CB 4.33Å; L268-E441 HydrophobicContact CD1-CG 3.44Å; L268-E441 VanDerWaalsContact CD1-CG 3.44Å; L268-E441 VanDerWaalsContact CD1-O 3.26Å; L268-E441 WeakPolarHBondContact CD1-O 3.08Å; V437-E441 HydrophobicContact CG1-CB 3.89Å; V437-E441 HydrophobicContact CG1-CG 3.91Å; R438-E441 HydrophobicContact CB-CB 4.34Å; R438-E441 VanDerWaalsContact O-CB 3.3Å; R438-E441 WeakPolarHBondContact O-CB 2.98Å; R438-E441 PolarHBondContact O-N 3.05Å; R438-E441 VanDerWaalsContact O-N 3.14Å; R439-E441 VanDerWaalsContact C-N 3.26Å; R439-E441 PolarHBondContact O-N 2.86Å; E441-A445 WeakPolarHBondContact O-CB 3.46Å; E441-A445 PolarHBondContact O-N 2.98Å
442V96.5Very high96.2Very high9 Ų923.5 Ų23.56%0.05511%0.113CC..Hα-helixtrans-62.8-43.4175.3176.20000111.3S156 V437 R438 R439 A445 W446S156-V442 WeakPolarHBondContact OG-CG1 3.44Å; V437-V442 HydrophobicContact CB-CG2 4.1Å; V437-V442 HydrophobicContact CG1-CG2 3.45Å; V437-V442 VanDerWaalsContact CG1-CG2 3.45Å; R438-V442 PolarHBondContact O-N 3.44Å; R439-V442 PolarHBondContact O-N 3.24Å; V442-A445 PolarHBondContact O-N 3.22Å; V442-W446 VanDerWaalsContact O-CD1 3.23Å; V442-W446 PolarHBondContact O-N 2.93Å
443E97.7Very high96.5Very high26 Ų2621 Ų2112%0.12110%0.101CC..Hα-helixtrans-67-42-178.9-71.6-171.8-154.100112.5L153 Q157 R439 D440 W446 K447L153-E443 HydrophobicContact CD1-CB 3.89Å; L153-E443 HydrophobicContact CD1-CG 4.02Å; Q157-E443 HydrophobicContact CG-CG 4.17Å; Q157-E443 PolarHBondContact NE2-OE2 3.23Å; R439-E443 IonicContact CZ-OE1 3.53Å; R439-E443 IonicContact NE-OE1 3.93Å; R439-E443 PolarHBondContact NE-OE1 3.19Å; R439-E443 IonicContact NH2-OE1 2.61Å; R439-E443 PolarHBondContact NH2-OE1 3.24Å; R439-E443 WeakPolarHBondContact O-CG 3.43Å; R439-E443 PolarHBondContact O-N 3.4Å; D440-E443 PolarHBondContact O-N 2.98Å; E443-W446 PolarHBondContact O-N 2.94Å; E443-K447 WeakPolarHBondContact O-CG 3.45Å; E443-K447 PolarHBondContact O-N 3.48Å
444E98.1Very high96.6Very high35 Ų3524.8 Ų24.816%0.16412%0.119CC..Hα-helixtrans-66.4-38.2175.4-67.3-58.6148.600112V265 L268 K269 D440 W446 K447 W448V265-E444 HydrophobicContact CG1-CG 4.44Å; L268-E444 HydrophobicContact CB-CB 3.77Å; L268-E444 HydrophobicContact CD1-CB 4.19Å; K269-E444 HydrophobicContact CG-CG 3.91Å; D440-E444 WeakPolarHBondContact O-CG 3.34Å; D440-E444 PolarHBondContact O-N 3.38Å; E444-W446 VanDerWaalsContact C-N 3.35Å; E444-W446 PolarHBondContact O-N 2.76Å; E444-K447 PolarHBondContact O-N 3.26Å; E444-K447 IonicContact OE1-NZ 3.98Å; E444-K447 PolarHBondContact OE1-NZ 2.78Å; E444-K447 IonicContact OE2-NZ 2.85Å; E444-W448 PolarHBondContact O-N 2.82Å
445A97.9Very high97Very high1 Ų124.1 Ų24.11%0.00811%0.113CC..Hα-helixtrans-59.4-46.117200000111.2L241 L268 E441 V442 W448 V449L241-A445 HydrophobicContact CD1-CB 3.78Å; L268-A445 HydrophobicContact CD1-CB 4.43Å; L268-A445 HydrophobicContact CD2-CB 4.5Å; E441-A445 WeakPolarHBondContact O-CB 3.46Å; E441-A445 PolarHBondContact O-N 2.98Å; V442-A445 PolarHBondContact O-N 3.22Å; A445-W448 PolarHBondContact O-N 3.48Å; A445-V449 WeakPolarHBondContact O-CG2 3.29Å; A445-V449 PolarHBondContact O-N 2.91Å
446W98Very high97.2Very high2 Ų223.7 Ų23.71%0.00811%0.11CC..Hα-helixtrans-64.8-40.6176.9-81.9122.8000113.5L149 G150 L153 S156 R233 Q237 V442 E443 E444 W448 V449 D450L149-W446 PolarHBondContact O-NE1 2.87Å; G150-W446 VanDerWaalsContact O-CZ2 3.28Å; G150-W446 WeakPolarHBondContact O-CZ2 3.43Å; L153-W446 HydrophobicContact CB-CB 3.83Å; L153-W446 HydrophobicContact CD1-CB 3.94Å; L153-W446 HydrophobicContact CG-CB 4.49Å; S156-W446 VanDerWaalsContact CB-CD1 3.4Å; S156-W446 PolarHBondContact OG-NE1 2.9Å; R233-W446 HydrophobicContact CB-CH2 4.34Å; R233-W446 HydrophobicContact CG-CH2 4.02Å; R233-W446 HydrophobicContact CG-CZ3 4.16Å; Q237-W446 HydrophobicContact CB-CH2 4.47Å; Q237-W446 HydrophobicContact CG-CD2 3.81Å; Q237-W446 HydrophobicContact CG-CE3 3.79Å; Q237-W446 HydrophobicContact CG-CH2 3.76Å; Q237-W446 HydrophobicContact CG-CZ2 3.79Å; Q237-W446 HydrophobicContact CG-CZ3 3.77Å; Q237-W446 VanDerWaalsContact NE2-CE2 3.3Å; V442-W446 VanDerWaalsContact O-CD1 3.23Å; V442-W446 PolarHBondContact O-N 2.93Å; E443-W446 PolarHBondContact O-N 2.94Å; E444-W446 VanDerWaalsContact C-N 3.35Å; E444-W446 PolarHBondContact O-N 2.76Å; W446-W448 PolarHBondContact O-N 2.71Å; W446-V449 HydrophobicContact CE3-CB 4.27Å; W446-V449 HydrophobicContact CE3-CG1 4.06Å; W446-V449 HydrophobicContact CZ3-CG1 3.94Å; W446-V449 PolarHBondContact O-N 3.16Å; W446-D450 WeakPolarHBondContact O-CB 3.2Å; W446-D450 VanDerWaalsContact O-CG 3.31Å; W446-D450 PolarHBondContact O-N 3.35Å
447K98.2Very high97.1Very high93 Ų9327.3 Ų27.340%0.40414%0.14SC..Hα-helixtrans-53.9-42175.5-74.6171.5-167.81730111.8L153 E443 E444 S451L153-K447 HydrophobicContact CD1-CG 4.39Å; L153-K447 HydrophobicContact CD2-CG 3.64Å; E443-K447 WeakPolarHBondContact O-CG 3.45Å; E443-K447 PolarHBondContact O-N 3.48Å; E444-K447 PolarHBondContact O-N 3.26Å; E444-K447 IonicContact OE1-NZ 3.98Å; E444-K447 PolarHBondContact OE1-NZ 2.78Å; E444-K447 IonicContact OE2-NZ 2.85Å; K447-S451 PolarHBondContact O-N 3.22Å
448W98.4Very high97Very high12 Ų1232.5 Ų32.55%0.04517%0.165CC..Hα-helixtrans-73.9-46.4179-170.980.2000112.1M232 I236 L241 L271 R272 I274 I319 V321 E444 A445 W446 S451 I452M232-W448 HydrophobicContact CE-CZ3 4.38Å; I236-W448 HydrophobicContact CG2-CZ3 4.31Å; L241-W448 HydrophobicContact CD1-CE3 4.21Å; L241-W448 HydrophobicContact CD2-CE3 4.16Å; L241-W448 HydrophobicContact CD2-CZ3 4.01Å; L271-W448 HydrophobicContact CB-CG 4.15Å; L271-W448 HydrophobicContact CD1-CB 4.47Å; L271-W448 HydrophobicContact CD1-CD2 3.96Å; L271-W448 HydrophobicContact CD1-CE3 4.34Å; L271-W448 HydrophobicContact CD1-CG 4.01Å; R272-W448 PolarHBondContact O-NE1 2.96Å; I274-W448 HydrophobicContact CD1-CH2 4.3Å; I274-W448 HydrophobicContact CD1-CZ2 3.59Å; I274-W448 HydrophobicContact CG1-CZ2 4.25Å; I319-W448 HydrophobicContact CD1-CH2 4.12Å; I319-W448 HydrophobicContact CD1-CZ3 4.35Å; I319-W448 HydrophobicContact CG2-CH2 3.91Å; I319-W448 HydrophobicContact CG2-CZ2 4.32Å; V321-W448 HydrophobicContact CB-CZ2 4.48Å; V321-W448 HydrophobicContact CG1-CH2 4.48Å; V321-W448 HydrophobicContact CG1-CZ2 4.06Å; V321-W448 HydrophobicContact CG2-CH2 3.64Å; V321-W448 HydrophobicContact CG2-CZ2 3.86Å; E444-W448 PolarHBondContact O-N 2.82Å; A445-W448 PolarHBondContact O-N 3.48Å; W446-W448 PolarHBondContact O-N 2.71Å; W448-S451 PolarHBondContact O-N 2.77Å; W448-S451 PolarHBondContact O-OG 3.11Å; W448-I452 HydrophobicContact CD2-CD1 3.91Å; W448-I452 HydrophobicContact CE3-CD1 3.73Å; W448-I452 HydrophobicContact CH2-CD1 3.6Å; W448-I452 HydrophobicContact CZ2-CD1 3.78Å; W448-I452 HydrophobicContact CZ3-CD1 3.57Å; W448-I452 PolarHBondContact O-N 3.12Å
449V98.2Very high96.6Very high0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-63-44.1178.2168.20000112.6M232 Q237 L241 A445 W446 S451 I452 T453M232-V449 HydrophobicContact CE-CB 3.85Å; M232-V449 HydrophobicContact CE-CG1 3.64Å; M232-V449 HydrophobicContact CE-CG2 3.57Å; M232-V449 HydrophobicContact CG-CG1 3.9Å; Q237-V449 HydrophobicContact CB-CG1 4.29Å; Q237-V449 HydrophobicContact CB-CG2 3.84Å; Q237-V449 HydrophobicContact CG-CB 4.26Å; Q237-V449 HydrophobicContact CG-CG1 4.29Å; Q237-V449 HydrophobicContact CG-CG2 3.86Å; L241-V449 HydrophobicContact CD1-CG2 4.05Å; A445-V449 WeakPolarHBondContact O-CG2 3.29Å; A445-V449 PolarHBondContact O-N 2.91Å; W446-V449 HydrophobicContact CE3-CB 4.27Å; W446-V449 HydrophobicContact CE3-CG1 4.06Å; W446-V449 HydrophobicContact CZ3-CG1 3.94Å; W446-V449 PolarHBondContact O-N 3.16Å; V449-S451 VanDerWaalsContact C-N 3.29Å; V449-S451 PolarHBondContact O-N 2.83Å; V449-I452 WeakPolarHBondContact O-CB 3.45Å; V449-I452 PolarHBondContact O-N 3.12Å; V449-I452 VanDerWaalsContact O-N 3.13Å; V449-T453 HydrophobicContact CG1-CG2 4.23Å; V449-T453 WeakPolarHBondContact O-CG2 3.19Å; V449-T453 PolarHBondContact O-N 2.83Å; V449-T453 PolarHBondContact O-OG1 2.64Å
450D98.1Very high95.9Very high18 Ų1835.7 Ų35.710%0.09619%0.19CC..Hα-helixtrans-59.7-43178.2-77.23.2000110L153 W446 I452 T453 E454L153-D450 WeakPolarHBondContact CB-OD2 3.42Å; L153-D450 PolarHBondContact N-OD2 3.24Å; W446-D450 WeakPolarHBondContact O-CB 3.2Å; W446-D450 VanDerWaalsContact O-CG 3.31Å; W446-D450 PolarHBondContact O-N 3.35Å; D450-I452 PolarHBondContact O-N 2.85Å; D450-T453 WeakPolarHBondContact CA-OG1 3.43Å; D450-T453 PolarHBondContact O-N 2.94Å; D450-T453 VanDerWaalsContact O-N 3.15Å; D450-T453 PolarHBondContact O-OG1 2.93Å; D450-T453 VanDerWaalsContact O-OG1 3.1Å; D450-E454 VanDerWaalsContact O-CB 3.31Å; D450-E454 WeakPolarHBondContact O-CB 3.42Å; D450-E454 VanDerWaalsContact O-CG 3.23Å; D450-E454 WeakPolarHBondContact O-CG 3.45Å; D450-E454 PolarHBondContact O-N 2.87Å
451S98.1Very high95.4Very high5 Ų536.7 Ų36.74%0.03520%0.195CC..Hα-helixtrans-57.7-35.8177.274.50000113.7I274 K447 W448 V449 A455I274-S451 CarbonylContact O-C 3.58Å; I274-S451 VanDerWaalsContact O-C 3.29Å; I274-S451 WeakPolarHBondContact O-CB 3.41Å; I274-S451 PolarHBondContact O-OG 2.77Å; K447-S451 PolarHBondContact O-N 3.22Å; W448-S451 PolarHBondContact O-N 2.77Å; W448-S451 PolarHBondContact O-OG 3.11Å; V449-S451 VanDerWaalsContact C-N 3.29Å; V449-S451 PolarHBondContact O-N 2.83Å; S451-A455 VanDerWaalsContact O-CB 3.31Å; S451-A455 WeakPolarHBondContact O-CB 3.25Å; S451-A455 PolarHBondContact O-N 2.67Å
452I98Very high95.1Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-72.9-49176.1-65.8162000110.8M232 I274 T283 I319 W448 V449 D450 E454 A455 W456M232-I452 HydrophobicContact CE-CB 4.13Å; M232-I452 HydrophobicContact CE-CD1 3.62Å; M232-I452 HydrophobicContact CE-CG1 4.47Å; M232-I452 HydrophobicContact CE-CG2 4.19Å; I274-I452 HydrophobicContact CB-CD1 4.19Å; I274-I452 HydrophobicContact CB-CG1 3.59Å; I274-I452 HydrophobicContact CD1-CD1 4.12Å; I274-I452 HydrophobicContact CD1-CG1 4.38Å; I274-I452 HydrophobicContact CG2-CG1 3.76Å; T283-I452 HydrophobicContact CG2-CG2 4.17Å; I319-I452 HydrophobicContact CD1-CD1 4.32Å; W448-I452 HydrophobicContact CD2-CD1 3.91Å; W448-I452 HydrophobicContact CE3-CD1 3.73Å; W448-I452 HydrophobicContact CH2-CD1 3.6Å; W448-I452 HydrophobicContact CZ2-CD1 3.78Å; W448-I452 HydrophobicContact CZ3-CD1 3.57Å; W448-I452 PolarHBondContact O-N 3.12Å; V449-I452 WeakPolarHBondContact O-CB 3.45Å; V449-I452 PolarHBondContact O-N 3.12Å; V449-I452 VanDerWaalsContact O-N 3.13Å; D450-I452 PolarHBondContact O-N 2.85Å; I452-E454 VanDerWaalsContact C-N 3.35Å; I452-E454 PolarHBondContact O-N 3.15Å; I452-A455 WeakPolarHBondContact O-CB 3.43Å; I452-A455 PolarHBondContact O-N 3.09Å; I452-W456 HydrophobicContact CG2-CD2 3.86Å; I452-W456 HydrophobicContact CG2-CE3 4.17Å; I452-W456 HydrophobicContact CG2-CH2 3.95Å; I452-W456 HydrophobicContact CG2-CZ2 3.58Å; I452-W456 HydrophobicContact CG2-CZ3 4.24Å; I452-W456 PolarHBondContact O-N 2.88Å
453T96Very high95.2Very high24 Ų2439.3 Ų39.315%0.14722%0.216CC..Hα-helixtrans-67.1-36.1-176.6600000112.4M232 V449 D450 W456 A457M232-T453 HydrophobicContact CG-CG2 3.84Å; V449-T453 HydrophobicContact CG1-CG2 4.23Å; V449-T453 WeakPolarHBondContact O-CG2 3.19Å; V449-T453 PolarHBondContact O-N 2.83Å; V449-T453 PolarHBondContact O-OG1 2.64Å; D450-T453 WeakPolarHBondContact CA-OG1 3.43Å; D450-T453 PolarHBondContact O-N 2.94Å; D450-T453 VanDerWaalsContact O-N 3.15Å; D450-T453 PolarHBondContact O-OG1 2.93Å; D450-T453 VanDerWaalsContact O-OG1 3.1Å; T453-W456 HydrophobicContact CG2-CE3 4.24Å; T453-W456 HydrophobicContact CG2-CZ3 4.4Å; T453-W456 PolarHBondContact O-N 2.77Å; T453-A457 WeakPolarHBondContact O-CB 3.18Å; T453-A457 PolarHBondContact O-N 3.46Å
454E96.5Very high95.2Very high97 Ų9741.9 Ų41.945%0.45323%0.227SC..Hα-helixtrans-62.4-45.9170.7-72.6173.1179.200111.1D450 I452 W456 A457 M458D450-E454 VanDerWaalsContact O-CB 3.31Å; D450-E454 WeakPolarHBondContact O-CB 3.42Å; D450-E454 VanDerWaalsContact O-CG 3.23Å; D450-E454 WeakPolarHBondContact O-CG 3.45Å; D450-E454 PolarHBondContact O-N 2.87Å; I452-E454 VanDerWaalsContact C-N 3.35Å; I452-E454 PolarHBondContact O-N 3.15Å; E454-W456 VanDerWaalsContact C-N 3.33Å; E454-W456 PolarHBondContact O-N 3.22Å; E454-A457 PolarHBondContact O-N 2.79Å; E454-M458 WeakPolarHBondContact O-CG 3.23Å; E454-M458 PolarHBondContact O-N 3.33Å
455A97.1Very high95.2Very high4 Ų444.7 Ų44.73%0.03325%0.248CC..Hα-helixtrans-62.2-41.1177.700000111.9V279 S451 I452 M458 D459V279-A455 HydrophobicContact CB-CB 3.91Å; V279-A455 HydrophobicContact CG1-CB 3.89Å; V279-A455 HydrophobicContact CG2-CB 4.08Å; S451-A455 VanDerWaalsContact O-CB 3.31Å; S451-A455 WeakPolarHBondContact O-CB 3.25Å; S451-A455 PolarHBondContact O-N 2.67Å; I452-A455 WeakPolarHBondContact O-CB 3.43Å; I452-A455 PolarHBondContact O-N 3.09Å; A455-M458 PolarHBondContact O-N 3.47Å; A455-D459 WeakPolarHBondContact O-CB 3.45Å; A455-D459 PolarHBondContact O-N 3.06Å
456W96.1Very high95.2Very high14 Ų1445 Ų455%0.05325%0.249CC..Hα-helixtrans-61.8-42.7173.2-75.2-16.2000113.3M232 V279 T283 R285 E314 V317 I452 T453 E454 M458 D459 N460M232-W456 HydrophobicContact CB-CH2 4.27Å; M232-W456 HydrophobicContact CB-CZ3 3.87Å; M232-W456 HydrophobicContact CG-CH2 4.24Å; M232-W456 HydrophobicContact CG-CZ3 3.94Å; M232-W456 HydrophobicContact SD-CH2 3.87Å; M232-W456 HydrophobicContact SD-CZ3 4.17Å; V279-W456 HydrophobicContact CG2-CG 4.35Å; V279-W456 VanDerWaalsContact CG2-NE1 3.27Å; T283-W456 HydrophobicContact CG2-CZ2 4.3Å; T283-W456 PolarHBondContact OG1-NE1 2.88Å; R285-W456 VanDerWaalsContact CD-CE3 3.44Å; R285-W456 HydrophobicContact CG-CD2 3.96Å; R285-W456 HydrophobicContact CG-CE3 4.14Å; R285-W456 HydrophobicContact CG-CH2 3.59Å; R285-W456 HydrophobicContact CG-CZ2 3.4Å; R285-W456 VanDerWaalsContact CG-CZ2 3.4Å; R285-W456 HydrophobicContact CG-CZ3 3.94Å; E314-W456 HydrophobicContact CG-CZ3 4.42Å; V317-W456 HydrophobicContact CG1-CH2 4.04Å; V317-W456 HydrophobicContact CG1-CZ2 4.47Å; V317-W456 HydrophobicContact CG2-CH2 3.92Å; I452-W456 HydrophobicContact CG2-CD2 3.86Å; I452-W456 HydrophobicContact CG2-CE3 4.17Å; I452-W456 HydrophobicContact CG2-CH2 3.95Å; I452-W456 HydrophobicContact CG2-CZ2 3.58Å; I452-W456 HydrophobicContact CG2-CZ3 4.24Å; I452-W456 PolarHBondContact O-N 2.88Å; T453-W456 HydrophobicContact CG2-CE3 4.24Å; T453-W456 HydrophobicContact CG2-CZ3 4.4Å; T453-W456 PolarHBondContact O-N 2.77Å; E454-W456 VanDerWaalsContact C-N 3.33Å; E454-W456 PolarHBondContact O-N 3.22Å; W456-M458 VanDerWaalsContact C-N 3.31Å; W456-M458 PolarHBondContact O-N 2.99Å; W456-D459 PolarHBondContact O-N 3.07Å; W456-N460 PolarHBondContact O-N 3.26Å
457A93.8Very high95.2Very high76 Ų7649.7 Ų49.763%0.62827%0.271SS*.Hα-helixtrans-63.8-37.9177.800000111.8T453 E454T453-A457 WeakPolarHBondContact O-CB 3.18Å; T453-A457 PolarHBondContact O-N 3.46Å; E454-A457 PolarHBondContact O-N 2.79Å
458M93.3Very high95.1Very high119 Ų11945.3 Ų45.359%0.58625%0.253SS*.Hα-helixtrans-74.7-30177-67.1-176.3-168.500113.6E454 A455 W456 N460E454-M458 WeakPolarHBondContact O-CG 3.23Å; E454-M458 PolarHBondContact O-N 3.33Å; A455-M458 PolarHBondContact O-N 3.47Å; W456-M458 VanDerWaalsContact C-N 3.31Å; W456-M458 PolarHBondContact O-N 2.99Å; M458-N460 VanDerWaalsContact C-N 3.3Å
459D87.5Confident95Very high28 Ų2845.9 Ų45.915%0.1526%0.262CS..Hα-helixtrans-74.1-24.7-178.9-156.741.1000112.8R280 A455 W456 D461R280-D459 WeakPolarHBondContact CG-OD2 3.09Å; R280-D459 IonicContact CZ-OD1 2.69Å; R280-D459 IonicContact CZ-OD2 3.79Å; R280-D459 VanDerWaalsContact NE-CG 3.26Å; R280-D459 IonicContact NE-OD1 2.94Å; R280-D459 PolarHBondContact NE-OD1 3.34Å; R280-D459 IonicContact NE-OD2 3.07Å; R280-D459 PolarHBondContact NE-OD2 2.93Å; R280-D459 IonicContact NH2-OD1 3.01Å; R280-D459 PolarHBondContact NH2-OD1 3.46Å; R280-D459 IonicContact NH2-OD2 3.78Å; A455-D459 WeakPolarHBondContact O-CB 3.45Å; A455-D459 PolarHBondContact O-N 3.06Å; W456-D459 PolarHBondContact O-N 3.07Å; D459-D461 PolarHBondContact O-N 2.9Å; D459-D461 VanDerWaalsContact O-N 3.09Å
460N81.6Confident94.9Very high139 Ų13948.2 Ų48.274%0.74328%0.277SS*.  trans53.326.2178.8-159.340.9000114.2W456 M458W456-N460 PolarHBondContact O-N 3.26Å; M458-N460 VanDerWaalsContact C-N 3.3Å
461D86.6Confident94.8Very high69 Ų6951 Ų5137%0.36929%0.286SS..PPolyproline II helixtrans-83.8137.1171.3-168.218.8000109.6R285 D459 K464R285-D461 PolarHBondContact NH2-O 2.97Å; D459-D461 PolarHBondContact O-N 2.9Å; D459-D461 VanDerWaalsContact O-N 3.09Å; D461-K464 VanDerWaalsContact CG-NZ 3.28Å; D461-K464 IonicContact OD1-NZ 4Å; D461-K464 PolarHBondContact OD1-NZ 2.75Å; D461-K464 WeakPolarHBondContact OD2-CE 3.38Å; D461-K464 IonicContact OD2-NZ 3.94Å; D461-K464 PolarHBondContact OD2-NZ 2.96Å
462A92.5Very high94.7Very high47 Ų4751.4 Ų51.439%0.38829%0.291SS..PPolyproline II helixtrans-78.1150.7176.500000110.5K464A462-K464 PolarHBondContact O-N 3.48Å
463P96.9Very high94.7Very high17 Ų1751.6 Ų51.611%0.1129%0.292CS..PPolyproline II helixtrans-55.1140.6171.4-22.131.9000111.4R285 Q287 N312R285-P463 HydrophobicContact CB-CB 4.19Å; Q287-P463 HydrophobicContact CB-CB 3.8Å; Q287-P463 HydrophobicContact CB-CG 4.43Å; N312-P463 WeakPolarHBondContact O-CG 3.34Å
464K97.8Very high94.7Very high80 Ų8056.4 Ų56.435%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-72.3138.6178.8-55.2-56.2177-155.30110.4R285 G286 Q287 D461 A462 P473 A475R285-K464 PolarHBondContact O-N 2.89Å; G286-K464 CarbonylContact C-O 3.56Å; G286-K464 WeakPolarHBondContact CA-O 3.47Å; Q287-K464 PolarHBondContact N-O 3.44Å; D461-K464 VanDerWaalsContact CG-NZ 3.28Å; D461-K464 IonicContact OD1-NZ 4Å; D461-K464 PolarHBondContact OD1-NZ 2.75Å; D461-K464 WeakPolarHBondContact OD2-CE 3.38Å; D461-K464 IonicContact OD2-NZ 3.94Å; D461-K464 PolarHBondContact OD2-NZ 2.96Å; A462-K464 PolarHBondContact O-N 3.48Å; K464-P473 HydrophobicContact CB-CB 3.83Å; K464-P473 HydrophobicContact CB-CG 4.07Å; K464-A475 HydrophobicContact CG-CB 4.45Å
465P97.9Very high94.8Very high93 Ų9353.5 Ų53.560%0.60431%0.313SS*.EExtended strand (participates in β ladder)trans-68.914617829.3-34.5000110.7Q287 T289Q287-P465 WeakPolarHBondContact O-CA 3.49Å; T289-P465 HydrophobicContact CG2-CB 3.74Å
466Y98.2Very high94.8Very high8 Ų853.3 Ų53.33%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-142.7144164.967.8-81.4000110.3Q287 Y288 T289 T315 F316 K339 L341 G472 P473Q287-Y466 PolarHBondContact O-N 2.68Å; Y288-Y466 CarbonylContact C-O 3.59Å; Y288-Y466 WeakPolarHBondContact CA-O 3.17Å; T289-Y466 PolarHBondContact N-O 3.36Å; T289-Y466 PolarHBondContact OG1-O 3.21Å; T315-Y466 PolarHBondContact O-OH 2.72Å; T315-Y466 WeakPolarHBondContact OG1-CE1 3.32Å; T315-Y466 PolarHBondContact OG1-OH 2.73Å; F316-Y466 HydrophobicContact CB-CD1 4.28Å; F316-Y466 HydrophobicContact CB-CE1 3.46Å; F316-Y466 VanDerWaalsContact CB-CE1 3.46Å; F316-Y466 HydrophobicContact CG-CE1 4.36Å; K339-Y466 PolarHBondContact O-OH 3.37Å; L341-Y466 HydrophobicContact CD2-CE2 4.07Å; Y466-G472 VanDerWaalsContact CB-C 3.42Å; Y466-P473 HydrophobicContact CD1-CG 3.93Å; Y466-P473 HydrophobicContact CG-CG 4.33Å
467Q97.8Very high94.9Very high100 Ų10056.1 Ų56.147%0.46733%0.33SS..EExtended strand (participates in β ladder)trans-72.8135-178.1-172.3174.710.100110.2A290 G469 T470A290-Q467 WeakPolarHBondContact O-CG 3.17Å; Q467-G469 PolarHBondContact O-N 3.14Å; Q467-T470 HydrophobicContact CB-CG2 3.92Å; Q467-T470 WeakPolarHBondContact O-CB 3.45Å; Q467-T470 PolarHBondContact O-N 2.87Å; Q467-T470 VanDerWaalsContact O-N 3.11Å; Q467-T470 PolarHBondContact O-OG1 2.64Å
468A97.2Very high95Very high2 Ų255.2 Ų55.22%0.01732%0.323CS..THydrogen-bonded Turntrans-54.5131.5172.200000110.5T289 F292 V298 R340T289-A468 WeakPolarHBondContact O-CB 3.49Å; T289-A468 PolarHBondContact O-N 3.34Å; T289-A468 VanDerWaalsContact O-N 3.09Å; F292-A468 PolarHBondContact N-O 2.88Å; F292-A468 VanDerWaalsContact N-O 3.13Å; F292-A468 VanDerWaalsContact O-O 3.09Å; V298-A468 HydrophobicContact CG2-CB 3.56Å; R340-A468 HydrophobicContact CB-CB 3.91Å; R340-A468 HydrophobicContact CG-CB 4.21Å
469G95.7Very high95.2Very high24 Ų2450 Ų5025%0.24730%0.297CS..THydrogen-bonded Turntrans89.712.6-173.900000115.1F292 R340 P342 Q467F292-G469 WeakPolarHBondContact O-CA 3.23Å; R340-G469 PolarHBondContact O-N 3.07Å; P342-G469 WeakPolarHBondContact CG-O 3.43Å; Q467-G469 PolarHBondContact O-N 3.14Å
470T95.9Very high95.7Very high49 Ų4948.6 Ų48.630%0.30129%0.29SS..SBendtrans-116162.5174.465.90000111.3L341 P342 Q467 G472L341-T470 WeakPolarHBondContact CD2-O 3.43Å; P342-T470 WeakPolarHBondContact CD-O 3.43Å; Q467-T470 HydrophobicContact CB-CG2 3.92Å; Q467-T470 WeakPolarHBondContact O-CB 3.45Å; Q467-T470 PolarHBondContact O-N 2.87Å; Q467-T470 VanDerWaalsContact O-N 3.11Å; Q467-T470 PolarHBondContact O-OG1 2.64Å; T470-G472 PolarHBondContact O-N 3.31Å
471W95.6Very high96.5Very high77 Ų7745.7 Ų45.729%0.29228%0.277SS..SBendtrans-73.931.5-178.2-77.5113.5000115.1T212 A214 L341 P342 T343 F490T212-W471 HydrophobicContact CG2-CZ3 4.4Å; A214-W471 HydrophobicContact CB-CH2 4.31Å; A214-W471 HydrophobicContact CB-CZ3 3.82Å; L341-W471 HydrophobicContact CD1-CE3 4.41Å; L341-W471 HydrophobicContact CD1-CZ3 4.41Å; P342-W471 HydrophobicContact CB-CZ2 4.46Å; P342-W471 HydrophobicContact CG-CD2 3.87Å; P342-W471 HydrophobicContact CG-CG 3.89Å; P342-W471 HydrophobicContact CG-CZ2 4.23Å; T343-W471 WeakPolarHBondContact OG1-CH2 3.49Å; T343-W471 WeakPolarHBondContact OG1-CZ2 3.41Å; W471-F490 AromaticContact CE2-CD2 3.91Å; W471-F490 HydrophobicContact CE3-CD2 4.49Å; W471-F490 HydrophobicContact CE3-CE2 4.3Å; W471-F490 AromaticContact CH2-CD2 3.19Å; W471-F490 HydrophobicContact CH2-CD2 3.19Å; W471-F490 AromaticContact CH2-CE2 3.37Å; W471-F490 HydrophobicContact CH2-CE2 3.37Å; W471-F490 AromaticContact CH2-CG 3.93Å; W471-F490 HydrophobicContact CH2-CG 3.93Å; W471-F490 HydrophobicContact CH2-CZ 4.27Å; W471-F490 HydrophobicContact CZ2-CB 4.09Å; W471-F490 AromaticContact CZ2-CD2 3.22Å; W471-F490 HydrophobicContact CZ2-CD2 3.22Å; W471-F490 AromaticContact CZ2-CE2 3.88Å; W471-F490 HydrophobicContact CZ2-CE2 3.88Å; W471-F490 AromaticContact CZ2-CG 3.89Å; W471-F490 HydrophobicContact CZ2-CG 3.89Å; W471-F490 AromaticContact CZ3-CD2 3.86Å; W471-F490 HydrophobicContact CZ3-CD2 3.86Å; W471-F490 AromaticContact CZ3-CE2 3.59Å; W471-F490 HydrophobicContact CZ3-CE2 3.59Å; W471-F490 HydrophobicContact CZ3-CZ 4.49Å
472G96.8Very high96.9Very high13 Ų1348.4 Ų48.413%0.13428%0.282CS..SBendtrans87.2-171.1-178.900000113.9Y466 T470Y466-G472 VanDerWaalsContact CB-C 3.42Å; T470-G472 PolarHBondContact O-N 3.31Å
473P97.7Very high97.1Very high4 Ų448 Ų483%0.02627%0.273CS..  trans-67147.7-177-19.431.4000112.7V284 F316 K464 Y466 A475 S476V284-P473 HydrophobicContact CG1-CB 4.43Å; V284-P473 HydrophobicContact CG1-CG 4.42Å; F316-P473 VanDerWaalsContact CD1-CD 3.47Å; F316-P473 HydrophobicContact CD1-CG 4.22Å; K464-P473 HydrophobicContact CB-CB 3.83Å; K464-P473 HydrophobicContact CB-CG 4.07Å; Y466-P473 HydrophobicContact CD1-CG 3.93Å; Y466-P473 HydrophobicContact CG-CG 4.33Å; P473-A475 HydrophobicContact CB-CB 4.5Å; P473-A475 PolarHBondContact O-N 3.11Å; P473-A475 VanDerWaalsContact O-N 3.07Å; P473-S476 VanDerWaalsContact O-CB 3.25Å; P473-S476 WeakPolarHBondContact O-CB 3.42Å; P473-S476 PolarHBondContact O-N 3.45Å
474V97.3Very high97Very high124 Ų12450.7 Ų50.775%0.75230%0.304SS*.Hα-helixtrans-54.7-30.4173.7179.40000112.1S476 V477 A478V474-S476 PolarHBondContact O-N 3.18Å; V474-V477 WeakPolarHBondContact O-CB 3.3Å; V474-V477 PolarHBondContact O-N 2.82Å; V474-A478 PolarHBondContact O-N 3.13Å
475A97.4Very high97Very high36 Ų3649 Ų4930%0.29830%0.296SS..Hα-helixtrans-58.1-31.2174.400000113.2V284 K464 P473 V477 A478 M479V284-A475 HydrophobicContact CG1-CB 3.81Å; V284-A475 HydrophobicContact CG2-CB 4.16Å; K464-A475 HydrophobicContact CG-CB 4.45Å; P473-A475 HydrophobicContact CB-CB 4.5Å; P473-A475 PolarHBondContact O-N 3.11Å; P473-A475 VanDerWaalsContact O-N 3.07Å; A475-V477 VanDerWaalsContact C-N 3.33Å; A475-A478 PolarHBondContact O-N 2.94Å; A475-M479 WeakPolarHBondContact O-CB 3.44Å; A475-M479 PolarHBondContact O-N 2.97Å
476S97.7Very high96.9Very high1 Ų148.3 Ų48.31%0.00729%0.293CS..Hα-helixtrans-66.4-36.7175.5-173.70000111.8F316 A318 P473 V474 W487F316-S476 WeakPolarHBondContact CZ-OG 3.35Å; A318-S476 VanDerWaalsContact CB-OG 3.29Å; A318-S476 WeakPolarHBondContact CB-OG 3.38Å; P473-S476 VanDerWaalsContact O-CB 3.25Å; P473-S476 WeakPolarHBondContact O-CB 3.42Å; P473-S476 PolarHBondContact O-N 3.45Å; V474-S476 PolarHBondContact O-N 3.18Å; S476-W487 PolarHBondContact O-NE1 3.2Å; S476-W487 PolarHBondContact OG-NE1 2.91Å
477V97.4Very high96.9Very high73 Ų7348.8 Ų48.844%0.44230%0.295SS..Hα-helixtrans-69.5-47.9174-178.60000109.4V474 A475 M479 I480 T481V474-V477 WeakPolarHBondContact O-CB 3.3Å; V474-V477 PolarHBondContact O-N 2.82Å; A475-V477 VanDerWaalsContact C-N 3.33Å; V477-M479 VanDerWaalsContact C-N 3.25Å; V477-M479 PolarHBondContact O-N 2.86Å; V477-I480 VanDerWaalsContact O-CG2 3.23Å; V477-I480 WeakPolarHBondContact O-CG2 3.39Å; V477-I480 PolarHBondContact O-N 2.73Å; V477-T481 WeakPolarHBondContact O-CB 3.47Å; V477-T481 PolarHBondContact O-N 2.95Å; V477-T481 PolarHBondContact O-OG1 2.87Å
478A97.5Very high96.7Very high57 Ų5744.7 Ų44.747%0.47128%0.276SS..Hα-helixtrans-58.1-36178.700000113.2V474 A475 T481 R482V474-A478 PolarHBondContact O-N 3.13Å; A475-A478 PolarHBondContact O-N 2.94Å; A478-T481 PolarHBondContact O-N 2.95Å; A478-R482 PolarHBondContact O-N 2.85Å
479M97.6Very high96.3Very high8 Ų852.9 Ų52.94%0.03931%0.314CS..Hα-helixtrans-58.7-47.7178.5-177.5-173.767.400112.4V284 A318 R320 Y334 A475 V477 W487V284-M479 HydrophobicContact CG2-CB 4.15Å; V284-M479 HydrophobicContact CG2-SD 4.13Å; A318-M479 HydrophobicContact CB-CE 3.77Å; R320-M479 HydrophobicContact CB-SD 4.27Å; Y334-M479 HydrophobicContact CD1-CE 4.11Å; A475-M479 WeakPolarHBondContact O-CB 3.44Å; A475-M479 PolarHBondContact O-N 2.97Å; V477-M479 VanDerWaalsContact C-N 3.25Å; V477-M479 PolarHBondContact O-N 2.86Å; M479-W487 HydrophobicContact CE-CZ2 4.09Å
480I97.5Very high95.5Very high0 Ų053.9 Ų53.90%031%0.312CS..Hα-helixtrans-78.8-33.1179.9-169.6162.4000111.6E210 Y334 V477 R482 D483 R485 W487E210-I480 WeakPolarHBondContact OE1-CD1 3.41Å; Y334-I480 HydrophobicContact CD1-CB 4.39Å; Y334-I480 HydrophobicContact CD1-CD1 4.17Å; Y334-I480 HydrophobicContact CD1-CG1 4.27Å; Y334-I480 HydrophobicContact CD2-CD1 3.6Å; Y334-I480 HydrophobicContact CD2-CG1 4.15Å; Y334-I480 HydrophobicContact CE1-CB 4.13Å; Y334-I480 HydrophobicContact CE1-CD1 4.32Å; Y334-I480 HydrophobicContact CE1-CG1 3.96Å; Y334-I480 HydrophobicContact CE2-CD1 3.78Å; Y334-I480 HydrophobicContact CE2-CG1 3.85Å; Y334-I480 HydrophobicContact CG-CD1 3.8Å; Y334-I480 HydrophobicContact CG-CG1 4.35Å; V477-I480 VanDerWaalsContact O-CG2 3.23Å; V477-I480 WeakPolarHBondContact O-CG2 3.39Å; V477-I480 PolarHBondContact O-N 2.73Å; I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 2.89Å; I480-D483 WeakPolarHBondContact O-CB 3.49Å; I480-D483 PolarHBondContact O-N 2.81Å; I480-D483 VanDerWaalsContact O-N 3.09Å; I480-R485 CarbonylContact C-O 3.57Å; I480-R485 VanDerWaalsContact C-O 3.3Å; I480-R485 HydrophobicContact CD1-CB 4.14Å; I480-R485 HydrophobicContact CG1-CB 3.52Å; I480-R485 PolarHBondContact O-N 3.36Å; I480-W487 HydrophobicContact CD1-CD2 4.28Å; I480-W487 HydrophobicContact CD1-CE3 4.49Å; I480-W487 HydrophobicContact CG2-CG 4.17Å
481T97.4Very high93.7Very high77 Ų7762.3 Ų62.347%0.47235%0.348SS..Hα-helixtrans-66.6-31.8176.9-58.30000113.2V477 A478 D483 G484 R485V477-T481 WeakPolarHBondContact O-CB 3.47Å; V477-T481 PolarHBondContact O-N 2.95Å; V477-T481 PolarHBondContact O-OG1 2.87Å; A478-T481 PolarHBondContact O-N 2.95Å; T481-D483 PolarHBondContact O-N 3.49Å; T481-D483 VanDerWaalsContact O-N 3.15Å; T481-G484 PolarHBondContact O-N 3.32Å; T481-R485 WeakPolarHBondContact CA-O 3.29Å; T481-R485 PolarHBondContact N-O 2.8Å; T481-R485 PolarHBondContact OG1-O 3.14Å
482R95.8Very high93.6Very high127 Ų12761.6 Ų61.648%0.47935%0.351SS..THydrogen-bonded Turntrans-57.1-29.5172.6-174.6-176.261.9-143.5-14.6112.2E281 A478 I480 G484E281-R482 PolarHBondContact O-NH1 3.38Å; E281-R482 PolarHBondContact O-NH2 2.89Å; E281-R482 IonicContact OE1-NH2 3.03Å; A478-R482 PolarHBondContact O-N 2.85Å; I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 2.89Å; R482-G484 VanDerWaalsContact C-N 3.29Å
483D95.6Very high93.5Very high37 Ų3764.2 Ų64.220%0.19836%0.362CS..THydrogen-bonded Turntrans-91.811.1178.9-81.142.2000112.4R320 Y334 I480 T481 R485R320-D483 IonicContact CZ-OD2 3.79Å; R320-D483 VanDerWaalsContact CZ-OD2 3.31Å; R320-D483 IonicContact NE-OD1 2.87Å; R320-D483 IonicContact NE-OD2 3.89Å; R320-D483 PolarHBondContact NE-OD2 3.09Å; R320-D483 IonicContact NH2-OD2 3.52Å; R320-D483 PolarHBondContact NH2-OD2 3.5Å; R320-D483 VanDerWaalsContact NH2-OD2 3.11Å; Y334-D483 WeakPolarHBondContact OH-CB 3.44Å; Y334-D483 VanDerWaalsContact OH-CG 3.29Å; Y334-D483 PolarHBondContact OH-OD2 2.91Å; I480-D483 WeakPolarHBondContact O-CB 3.49Å; I480-D483 PolarHBondContact O-N 2.81Å; I480-D483 VanDerWaalsContact O-N 3.09Å; T481-D483 PolarHBondContact O-N 3.49Å; T481-D483 VanDerWaalsContact O-N 3.15Å; D483-R485 VanDerWaalsContact C-N 3.35Å; D483-R485 PolarHBondContact O-NH1 2.83Å; D483-R485 VanDerWaalsContact O-NH1 3.13Å; D483-R485 IonicContact OD2-NH1 2.81Å
484G95.8Very high93.2Very high74 Ų7467.5 Ų67.576%0.76338%0.381SS*.THydrogen-bonded Turntrans74.620179.600000114.4T481 R482T481-G484 PolarHBondContact O-N 3.32Å; R482-G484 VanDerWaalsContact C-N 3.29Å
485R96.7Very high93Very high44 Ų4464.2 Ų64.217%0.16636%0.359CS..  trans-125.5168.5-171.6-66.5170.2-178107-7.3111.8D207 H208 I480 T481 D483D207-R485 PolarHBondContact O-NH2 3.33Å; D207-R485 IonicContact OD1-CZ 3.64Å; D207-R485 IonicContact OD1-NE 3.87Å; D207-R485 IonicContact OD1-NH2 4Å; D207-R485 PolarHBondContact OD1-NH2 2.84Å; D207-R485 IonicContact OD2-CZ 3.88Å; D207-R485 IonicContact OD2-NE 2.67Å; D207-R485 PolarHBondContact OD2-NE 3.48Å; D207-R485 IonicContact OD2-NH2 3.27Å; H208-R485 WeakPolarHBondContact ND1-CD 3.36Å; H208-R485 PolarHBondContact ND1-NE 3.37Å; I480-R485 CarbonylContact C-O 3.57Å; I480-R485 VanDerWaalsContact C-O 3.3Å; I480-R485 HydrophobicContact CD1-CB 4.14Å; I480-R485 HydrophobicContact CG1-CB 3.52Å; I480-R485 PolarHBondContact O-N 3.36Å; T481-R485 WeakPolarHBondContact CA-O 3.29Å; T481-R485 PolarHBondContact N-O 2.8Å; T481-R485 PolarHBondContact OG1-O 3.14Å; D483-R485 VanDerWaalsContact C-N 3.35Å; D483-R485 PolarHBondContact O-NH1 2.83Å; D483-R485 VanDerWaalsContact O-NH1 3.13Å; D483-R485 IonicContact OD2-NH1 2.81Å
486S96.8Very high92.7Very high79 Ų7965.9 Ų65.955%0.55236%0.363SS*.  trans-139.3142.4178.654.40000109.8E210E210-S486 VanDerWaalsContact OE1-O 3.12Å
487W96.9Very high92.4Very high19 Ų1970.3 Ų70.37%0.07239%0.386CS..PPolyproline II helixtrans-54.3143.6172.6-72.6106.1000111.4E210 A318 Y334 R336 S476 M479 I480 E489E210-W487 HydrophobicContact CB-CE3 4.46Å; E210-W487 HydrophobicContact CB-CZ3 4.22Å; E210-W487 HydrophobicContact CG-CE3 4.39Å; E210-W487 HydrophobicContact CG-CZ3 4.4Å; E210-W487 WeakPolarHBondContact OE1-CA 3.34Å; A318-W487 HydrophobicContact CB-CZ2 4.14Å; Y334-W487 VanDerWaalsContact CB-CH2 3.48Å; Y334-W487 HydrophobicContact CG-CH2 4.46Å; R336-W487 HydrophobicContact CB-CE3 4.38Å; R336-W487 HydrophobicContact CB-CH2 3.4Å; R336-W487 VanDerWaalsContact CB-CH2 3.4Å; R336-W487 HydrophobicContact CB-CZ2 3.96Å; R336-W487 HydrophobicContact CB-CZ3 3.66Å; R336-W487 HydrophobicContact CG-CH2 4.4Å; S476-W487 PolarHBondContact O-NE1 3.2Å; S476-W487 PolarHBondContact OG-NE1 2.91Å; M479-W487 HydrophobicContact CE-CZ2 4.09Å; I480-W487 HydrophobicContact CD1-CD2 4.28Å; I480-W487 HydrophobicContact CD1-CE3 4.49Å; I480-W487 HydrophobicContact CG2-CG 4.17Å; W487-E489 PolarHBondContact O-N 3.08Å
488N95.4Very high92Very high13 Ų1370.1 Ų70.17%0.0738%0.382CS..PPolyproline II helixtrans-55.6132.3170.1-173.950.7000110.3E210 E347 V349 Y351 K371E210-N488 WeakPolarHBondContact OE2-CB 3.47Å; E210-N488 PolarHBondContact OE2-N 3.15Å; E347-N488 PolarHBondContact OE1-ND2 3.35Å; V349-N488 HydrophobicContact CG1-CB 4.45Å; V349-N488 HydrophobicContact CG2-CB 3.98Å; Y351-N488 PolarHBondContact OH-OD1 2.67Å; K371-N488 PolarHBondContact NZ-ND2 3.47Å; K371-N488 PolarHBondContact NZ-OD1 2.95Å
489E88.1Confident91.6Very high174 Ų17471.1 Ų71.181%0.81338%0.376SS*.PPolyproline II helixtrans-82.5131.4171.3-64.8-174.2170.500108.5W487W487-E489 PolarHBondContact O-N 3.08Å
490F79Confident91.1Very high45 Ų4576.3 Ų76.320%0.19740%0.404CS..PPolyproline II helixtrans-89.8127.1172.8-61.7-84.9000107.9T212 C345 E347 W471T212-F490 HydrophobicContact CG2-CE2 4.1Å; T212-F490 HydrophobicContact CG2-CZ 3.73Å; C345-F490 HydrophobicContact CB-CD1 4.3Å; C345-F490 HydrophobicContact CB-CE1 4.06Å; C345-F490 WeakPolarHBondContact SG-CE1 3.28Å; C345-F490 WeakPolarHBondContact SG-CZ 3.44Å; E347-F490 HydrophobicContact CB-CE1 4.18Å; E347-F490 VanDerWaalsContact OE1-CE1 3.24Å; E347-F490 WeakPolarHBondContact OE1-CE1 3.45Å; W471-F490 AromaticContact CE2-CD2 3.91Å; W471-F490 HydrophobicContact CE3-CD2 4.49Å; W471-F490 HydrophobicContact CE3-CE2 4.3Å; W471-F490 AromaticContact CH2-CD2 3.19Å; W471-F490 HydrophobicContact CH2-CD2 3.19Å; W471-F490 AromaticContact CH2-CE2 3.37Å; W471-F490 HydrophobicContact CH2-CE2 3.37Å; W471-F490 AromaticContact CH2-CG 3.93Å; W471-F490 HydrophobicContact CH2-CG 3.93Å; W471-F490 HydrophobicContact CH2-CZ 4.27Å; W471-F490 HydrophobicContact CZ2-CB 4.09Å; W471-F490 AromaticContact CZ2-CD2 3.22Å; W471-F490 HydrophobicContact CZ2-CD2 3.22Å; W471-F490 AromaticContact CZ2-CE2 3.88Å; W471-F490 HydrophobicContact CZ2-CE2 3.88Å; W471-F490 AromaticContact CZ2-CG 3.89Å; W471-F490 HydrophobicContact CZ2-CG 3.89Å; W471-F490 AromaticContact CZ3-CD2 3.86Å; W471-F490 HydrophobicContact CZ3-CD2 3.86Å; W471-F490 AromaticContact CZ3-CE2 3.59Å; W471-F490 HydrophobicContact CZ3-CE2 3.59Å; W471-F490 HydrophobicContact CZ3-CZ 4.49Å
491E58.4Low90.5Very high227 Ų22783.3 Ų83.3100%1.06144%0.44SS*.  trans-68.90174.6-76.9172-168.200112.2K403K403-E491 IonicContact NZ-OE1 2.73Å; K403-E491 PolarHBondContact NZ-OE1 3.05Å; K403-E491 IonicContact NZ-OE2 2.86Å; K403-E491 PolarHBondContact NZ-OE2 3.43Å

Retrieved 491 of 491 residues in 168.9 ms (Link to these results)

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