A0A087XX97_POEFO Loading...

Uroporphyrinogen-III synthase

Catalyzes cyclization of the linear tetrapyrrole, hydroxymethylbilane, to the macrocyclic uroporphyrinogen III, the branch point for the various sub-pathways leading to the wide diversity of porphyrins. Porphyrins act as cofactors for a multitude of enzymes that perform a variety of processes within the cell such as methionine synthesis (vitamin B12) or oxygen transport (heme).

AlphaFold DB , UniProt , Accession A0A087XX97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 261 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
1M93.2Very high89.5Confident113 Ų11358.4 Ų58.456%0.55729%0.286SS*.  0150.30-79.3175.1-88.500109.7K29 A192 L260M1-K29 PolarHBondContact O-N 2.9Å; M1-A192 HydrophobicContact CB-CB 3.76Å; M1-A192 HydrophobicContact CG-CB 3.97Å; M1-A192 HydrophobicContact SD-CB 4.02Å; M1-L260 HydrophobicContact CB-CD1 4.39Å; M1-L260 HydrophobicContact CE-CB 3.81Å; M1-L260 WeakPolarHBondContact CE-O 3.22Å; M1-L260 HydrophobicContact SD-CB 3.96Å; M1-L260 HydrophobicContact SD-CD1 4.22Å; M1-L260 HydrophobicContact SD-CD2 4Å; M1-L260 HydrophobicContact SD-CG 4.3Å
2H97.1Very high87Confident64 Ų6464.3 Ų64.330%0.29631%0.312SS..EExtended strand (participates in β ladder)trans-89.1133.6177.5-69.2-97.5000110.6K29 Q188 A192 S193H2-K29 WeakPolarHBondContact CA-O 3.45Å; H2-Q188 PolarHBondContact CE1-OE1 3.04Å; H2-Q188 PolarHBondContact ND1-OE1 3.2Å; H2-A192 PolarHBondContact O-N 3.44Å; H2-S193 PolarHBondContact O-N 2.9Å
3V98.1Very high84.7Confident0 Ų074.9 Ų74.90%036%0.361CS..EExtended strand (participates in β ladder)trans-123.7126.5178-179.10000108.9L5 L23 H28 K29 A30 T31 S193 I256 L260V3-L5 HydrophobicContact CG1-CD2 4.15Å; V3-L23 HydrophobicContact CB-CD1 4.2Å; V3-L23 HydrophobicContact CG1-CD1 3.75Å; V3-L23 HydrophobicContact CG1-CD2 4.34Å; V3-L23 HydrophobicContact CG2-CD2 4.41Å; V3-H28 HydrophobicContact CG2-CB 3.88Å; V3-K29 PolarHBondContact N-O 2.83Å; V3-A30 CarbonylContact O-C 3.59Å; V3-A30 VanDerWaalsContact O-CA 3.26Å; V3-A30 WeakPolarHBondContact O-CA 3.31Å; V3-T31 PolarHBondContact O-N 3.42Å; V3-S193 WeakPolarHBondContact CA-O 3.46Å; V3-I256 HydrophobicContact CG1-CD1 4.13Å; V3-I256 HydrophobicContact CG1-CG2 4.46Å; V3-I256 HydrophobicContact CG2-CG2 4.1Å; V3-L260 HydrophobicContact CG2-CD1 4.16Å
4L98.2Very high82.8Confident0 Ų078.1 Ų78.10%040%0.395CS..EExtended strand (participates in β ladder)trans-101.3124178.2-179.963.3000110.3L6 T31 I33 L181 Y184 P191 S193 I194 A195L4-L6 HydrophobicContact CD2-CD2 4.07Å; L4-L6 HydrophobicContact CG-CD2 4.07Å; L4-L6 HydrophobicContact CG-CG 4.38Å; L4-T31 HydrophobicContact CD1-CG2 4.48Å; L4-I33 HydrophobicContact CD1-CB 4.45Å; L4-I33 HydrophobicContact CD1-CD1 3.69Å; L4-I33 HydrophobicContact CD1-CG1 3.86Å; L4-L181 HydrophobicContact CD2-CD2 3.96Å; L4-Y184 HydrophobicContact CB-CE1 4.18Å; L4-Y184 HydrophobicContact CD1-CD1 4.3Å; L4-Y184 HydrophobicContact CD1-CD2 4.11Å; L4-Y184 HydrophobicContact CD1-CE1 4.28Å; L4-Y184 HydrophobicContact CD1-CE2 4.08Å; L4-Y184 HydrophobicContact CD1-CG 4.21Å; L4-Y184 HydrophobicContact CD2-CD1 4.05Å; L4-Y184 HydrophobicContact CD2-CE1 4.06Å; L4-Y184 HydrophobicContact CG-CE1 4.41Å; L4-P191 HydrophobicContact CB-CB 4.21Å; L4-P191 HydrophobicContact CB-CG 4.29Å; L4-S193 PolarHBondContact N-O 2.78Å; L4-I194 HydrophobicContact CB-CG1 4.19Å; L4-I194 HydrophobicContact CD2-CD1 4.41Å; L4-I194 HydrophobicContact CD2-CG1 4.34Å; L4-I194 CarbonylContact O-C 3.53Å; L4-I194 WeakPolarHBondContact O-CA 3.22Å; L4-A195 PolarHBondContact O-N 2.84Å
5L98.1Very high81.8Confident0 Ų076.1 Ų76.10%040%0.395CS..EExtended strand (participates in β ladder)trans-102118.3177.4-55.5-178000109.9V3 K7 M20 L23 A30 T31 L32 I33 A195 F197V3-L5 HydrophobicContact CG1-CD2 4.15Å; L5-K7 HydrophobicContact CB-CG 4.42Å; L5-M20 HydrophobicContact CD1-CG 3.92Å; L5-L23 HydrophobicContact CD1-CD1 4.12Å; L5-L23 HydrophobicContact CD2-CD1 3.71Å; L5-L23 HydrophobicContact CG-CD1 4.22Å; L5-A30 HydrophobicContact CD1-CB 4.37Å; L5-T31 PolarHBondContact N-O 3.34Å; L5-L32 HydrophobicContact CB-CB 4.4Å; L5-L32 WeakPolarHBondContact O-CA 3.47Å; L5-I33 PolarHBondContact O-N 3.44Å; L5-A195 HydrophobicContact CD2-CB 3.76Å; L5-F197 HydrophobicContact CB-CE2 4.15Å; L5-F197 HydrophobicContact CD2-CE2 4.03Å; L5-F197 HydrophobicContact CD2-CZ 4.21Å
6L97.1Very high81.5Confident1 Ų177.3 Ų77.31%0.00541%0.409CS..EExtended strand (participates in β ladder)trans-101.584179.5-65.9-179000109.5L4 I33 V35 L181 I194 A195 F196 F197 C205 V209L4-L6 HydrophobicContact CD2-CD2 4.07Å; L4-L6 HydrophobicContact CG-CD2 4.07Å; L4-L6 HydrophobicContact CG-CG 4.38Å; L6-I33 HydrophobicContact CD2-CB 4.16Å; L6-V35 HydrophobicContact CB-CG1 3.77Å; L6-V35 HydrophobicContact CD2-CG1 3.84Å; L6-V35 HydrophobicContact CG-CG1 4.35Å; L6-L181 HydrophobicContact CD2-CD2 4.02Å; L6-I194 HydrophobicContact CD1-CG2 3.47Å; L6-I194 VanDerWaalsContact CD1-CG2 3.47Å; L6-I194 HydrophobicContact CG-CG2 4.02Å; L6-A195 PolarHBondContact N-O 3.07Å; L6-F196 HydrophobicContact CB-CD1 4.15Å; L6-F196 HydrophobicContact CB-CE1 4.32Å; L6-F196 HydrophobicContact CD1-CD1 3.92Å; L6-F196 HydrophobicContact CD1-CE1 3.33Å; L6-F196 HydrophobicContact CD1-CE2 4.16Å; L6-F196 HydrophobicContact CD1-CZ 3.48Å; L6-F196 VanDerWaalsContact CD1-CZ 3.48Å; L6-F196 HydrophobicContact CG-CE1 4.46Å; L6-F197 WeakPolarHBondContact O-CD2 3.19Å; L6-C205 HydrophobicContact CD1-CB 3.89Å; L6-V209 HydrophobicContact CD1-CG2 4.31Å
7K93.8Very high82.1Confident24 Ų2473.3 Ų73.310%0.10439%0.388CS..SBendtrans-155.7161.7-174.766.9176.2-70.4-720112.7L5 D17 Y19 L32 I33 P34 F197L5-K7 HydrophobicContact CB-CG 4.42Å; K7-D17 IonicContact NZ-OD2 2.72Å; K7-D17 PolarHBondContact NZ-OD2 3.48Å; K7-Y19 HydrophobicContact CD-CD2 4.2Å; K7-L32 HydrophobicContact CD-CD1 3.89Å; K7-L32 HydrophobicContact CG-CD1 3.67Å; K7-L32 HydrophobicContact CG-CG 3.9Å; K7-L32 WeakPolarHBondContact O-CD2 3.46Å; K7-I33 PolarHBondContact N-O 3.04Å; K7-I33 CarbonylContact O-C 3.6Å; K7-P34 WeakPolarHBondContact O-CA 3.26Å; K7-F197 HydrophobicContact CB-CB 3.84Å; K7-F197 HydrophobicContact CB-CD1 4.1Å; K7-F197 HydrophobicContact CB-CD2 3.57Å; K7-F197 HydrophobicContact CB-CE2 4.12Å; K7-F197 HydrophobicContact CB-CG 3.55Å; K7-F197 HydrophobicContact CD-CD1 3.96Å; K7-F197 HydrophobicContact CD-CD2 4.15Å; K7-F197 HydrophobicContact CD-CE1 3.67Å; K7-F197 HydrophobicContact CD-CE2 3.87Å; K7-F197 HydrophobicContact CD-CG 4.19Å; K7-F197 HydrophobicContact CD-CZ 3.62Å; K7-F197 HydrophobicContact CG-CD2 4.14Å; K7-F197 HydrophobicContact CG-CE2 4.17Å; K7-F197 HydrophobicContact CG-CG 4.36Å; K7-F197 HydrophobicContact CG-CZ 4.42Å
8E89Confident82.7Confident62 Ų6270.8 Ų70.829%0.2938%0.377SS..PPolyproline II helixtrans-69.5142.1169.8-59.6-47.3106.300111.8V35 L36E8-V35 PolarHBondContact OE1-N 3.35Å; E8-L36 HydrophobicContact CG-CB 4.11Å; E8-L36 HydrophobicContact CG-CG 4.49Å; E8-L36 WeakPolarHBondContact OE1-CA 3.42Å; E8-L36 WeakPolarHBondContact OE1-CB 3.41Å; E8-L36 PolarHBondContact OE1-N 3.21Å
9P83.4Confident83.4Confident70 Ų7068.9 Ų68.946%0.45536%0.364SS..PPolyproline II helixtrans-64.3166.2170.929.6-35.8000110.8L32P9-L32 HydrophobicContact CB-CD2 4.42Å
10R74.6Confident84Confident135 Ų13568.5 Ų68.551%0.50936%0.36SS..PPolyproline II helixtrans-73.2150.5167-72.2-177.3163.3-168.3-8.2109.5E12 P18R10-E12 PolarHBondContact O-N 3.43Å; R10-P18 VanDerWaalsContact CZ-CD 3.46Å; R10-P18 VanDerWaalsContact CZ-CG 3.49Å
11D61.7Low84.5Confident173 Ų17371.5 Ų71.593%0.92537%0.371SS*.SBendtrans-69.5-12.1173.8-63.3-35.9000112.6
12E59.3Low84.7Confident129 Ų12968.4 Ų68.460%0.60336%0.355SS*.  trans-91.5102.5179.6-68178.3-179.400111.2R10 S14R10-E12 PolarHBondContact O-N 3.43Å; E12-S14 PolarHBondContact O-N 3.48Å; E12-S14 VanDerWaalsContact O-N 3.16Å
13E57.1Low84.7Confident203 Ų20365.5 Ų65.595%0.94934%0.341SS*.THydrogen-bonded Turntrans-64.4-14.7-178.2-69.6-177.1158.700114.7
14S58Low84.6Confident119 Ų11972.3 Ų72.383%0.83237%0.373SS*.THydrogen-bonded Turntrans-95-9.7-166.564.30000115.7E12E12-S14 PolarHBondContact O-N 3.48Å; E12-S14 VanDerWaalsContact O-N 3.16Å
15A68.1Low84.5Confident48 Ų4876 Ų7640%0.39740%0.399SS..SBendtrans-124.4140.8-177.800000112.3
16P77.9Confident84.4Confident95 Ų9579.8 Ų79.862%0.61742%0.417SS*.  trans-59.8141.4172.824.5-31.9000110.5
17D91Very high84.3Confident10 Ų1082.6 Ų82.65%0.05345%0.446CS..  trans-57.2129.4178.3-174.4-71.3000109.8K7 Y19 M20 K21 L32K7-D17 IonicContact NZ-OD2 2.72Å; K7-D17 PolarHBondContact NZ-OD2 3.48Å; D17-Y19 PolarHBondContact O-N 3.15Å; D17-Y19 VanDerWaalsContact OD1-CB 3.27Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Y19 WeakPolarHBondContact OD1-CD2 3.37Å; D17-Y19 PolarHBondContact OD1-N 3.13Å; D17-M20 HydrophobicContact CB-CB 4.43Å; D17-M20 HydrophobicContact CB-CE 3.55Å; D17-M20 HydrophobicContact CB-CG 4.14Å; D17-M20 PolarHBondContact O-N 2.95Å; D17-M20 VanDerWaalsContact O-N 3.08Å; D17-K21 PolarHBondContact O-N 3.31Å; D17-L32 HydrophobicContact CB-CD1 4.27Å; D17-L32 WeakPolarHBondContact OD2-CD1 3.42Å
18P93.6Very high84.5Confident29 Ų2982.3 Ų82.319%0.18845%0.445CS..Hα-helixtrans-61.1-31.6-17429.8-41.7000112.6R10 K21 E22 A249R10-P18 VanDerWaalsContact CZ-CD 3.46Å; R10-P18 VanDerWaalsContact CZ-CG 3.49Å; P18-K21 PolarHBondContact O-N 3.42Å; P18-E22 WeakPolarHBondContact O-CB 3.35Å; P18-E22 PolarHBondContact O-N 3.41Å; P18-A249 HydrophobicContact CB-CB 4.07Å
19Y95.7Very high84.8Confident34 Ų3485.5 Ų85.513%0.13346%0.458CS..Hα-helixtrans-69.4-37.5178.8-65.9-88.3000111K7 D17 L23 F197 I225 P247 A249 L252K7-Y19 HydrophobicContact CD-CD2 4.2Å; D17-Y19 PolarHBondContact O-N 3.15Å; D17-Y19 VanDerWaalsContact OD1-CB 3.27Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Y19 WeakPolarHBondContact OD1-CD2 3.37Å; D17-Y19 PolarHBondContact OD1-N 3.13Å; Y19-L23 WeakPolarHBondContact O-CB 3.46Å; Y19-L23 WeakPolarHBondContact O-CD1 3.38Å; Y19-L23 WeakPolarHBondContact O-CG 3.49Å; Y19-L23 PolarHBondContact O-N 3.02Å; Y19-F197 AromaticContact CD1-CE1 3.72Å; Y19-F197 HydrophobicContact CD1-CE1 3.72Å; Y19-F197 AromaticContact CD1-CZ 3.82Å; Y19-F197 HydrophobicContact CD1-CZ 3.82Å; Y19-F197 HydrophobicContact CD2-CE1 4.13Å; Y19-F197 AromaticContact CE1-CE1 3.52Å; Y19-F197 HydrophobicContact CE1-CE1 3.52Å; Y19-F197 HydrophobicContact CE1-CZ 4.09Å; Y19-F197 AromaticContact CE2-CE1 3.96Å; Y19-F197 HydrophobicContact CE2-CE1 3.96Å; Y19-F197 HydrophobicContact CG-CE1 4.03Å; Y19-F197 HydrophobicContact CG-CZ 4.05Å; Y19-F197 AromaticContact CZ-CE1 3.66Å; Y19-I225 HydrophobicContact CE1-CD1 3.65Å; Y19-P247 PolarHBondContact OH-O 3Å; Y19-A249 VanDerWaalsContact CD1-CA 3.46Å; Y19-A249 HydrophobicContact CD1-CB 3.85Å; Y19-A249 VanDerWaalsContact CE1-CA 3.45Å; Y19-A249 HydrophobicContact CE1-CB 4.09Å; Y19-A249 HydrophobicContact CG-CB 4.07Å; Y19-L252 HydrophobicContact CD1-CB 4.36Å; Y19-L252 HydrophobicContact CD1-CD2 3.74Å; Y19-L252 HydrophobicContact CE1-CB 4.35Å; Y19-L252 HydrophobicContact CE1-CD2 4.09Å
20M95.1Very high85.5Confident60 Ų6083.1 Ų83.130%0.29644%0.444SS..Hα-helixtrans-66.5-45.5174.5-65.1-164.4-69.100111.1L5 D17 E22 L23 E24 A30 L32L5-M20 HydrophobicContact CD1-CG 3.92Å; D17-M20 HydrophobicContact CB-CB 4.43Å; D17-M20 HydrophobicContact CB-CE 3.55Å; D17-M20 HydrophobicContact CB-CG 4.14Å; D17-M20 PolarHBondContact O-N 2.95Å; D17-M20 VanDerWaalsContact O-N 3.08Å; M20-E22 VanDerWaalsContact C-N 3.33Å; M20-E22 PolarHBondContact O-N 3.44Å; M20-L23 PolarHBondContact O-N 2.81Å; M20-E24 WeakPolarHBondContact O-CB 3.16Å; M20-E24 PolarHBondContact O-N 3.33Å; M20-A30 HydrophobicContact CB-CB 4.05Å; M20-A30 HydrophobicContact CG-CB 3.87Å; M20-L32 HydrophobicContact SD-CB 3.98Å
21K94.8Very high86.5Confident132 Ų13278.2 Ų78.257%0.57443%0.429SS*.Hα-helixtrans-59.9-43.1178.2-175.1-176.1177.1-173.60112D17 P18 E24 S25D17-K21 PolarHBondContact O-N 3.31Å; P18-K21 PolarHBondContact O-N 3.42Å; K21-E24 PolarHBondContact O-N 2.63Å; K21-S25 PolarHBondContact O-N 2.98Å
22E96.7Very high88.2Confident49 Ų4971.6 Ų71.623%0.22939%0.394CS..Hα-helixtrans-73.1-35.7-178.8-156.557.2-124.800111.8P18 M20 E24 S25 H26 A249 E250 A253P18-E22 WeakPolarHBondContact O-CB 3.35Å; P18-E22 PolarHBondContact O-N 3.41Å; M20-E22 VanDerWaalsContact C-N 3.33Å; M20-E22 PolarHBondContact O-N 3.44Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E22-S25 PolarHBondContact O-N 3.48Å; E22-S25 PolarHBondContact O-OG 3.47Å; E22-S25 PolarHBondContact OE1-OG 2.83Å; E22-H26 PolarHBondContact O-CD2 3.27Å; E22-H26 VanDerWaalsContact O-CD2 3.27Å; E22-H26 PolarHBondContact O-N 3.08Å; E22-A249 HydrophobicContact CB-CB 4.02Å; E22-A249 HydrophobicContact CG-CB 4.46Å; E22-E250 HydrophobicContact CG-CG 4.4Å; E22-A253 HydrophobicContact CB-CB 3.99Å; E22-A253 HydrophobicContact CG-CB 3.66Å
23L97Very high89.9Confident2 Ų265.8 Ų65.81%0.0137%0.367CS..Hα-helixtrans-64.2-36.3171.4-77.2166.5000112.4V3 L5 Y19 M20 H26 G27 H28 A30 A253 I256V3-L23 HydrophobicContact CB-CD1 4.2Å; V3-L23 HydrophobicContact CG1-CD1 3.75Å; V3-L23 HydrophobicContact CG1-CD2 4.34Å; V3-L23 HydrophobicContact CG2-CD2 4.41Å; L5-L23 HydrophobicContact CD1-CD1 4.12Å; L5-L23 HydrophobicContact CD2-CD1 3.71Å; L5-L23 HydrophobicContact CG-CD1 4.22Å; Y19-L23 WeakPolarHBondContact O-CB 3.46Å; Y19-L23 WeakPolarHBondContact O-CD1 3.38Å; Y19-L23 WeakPolarHBondContact O-CG 3.49Å; Y19-L23 PolarHBondContact O-N 3.02Å; M20-L23 PolarHBondContact O-N 2.81Å; L23-H26 CarbonylContact O-C 3.57Å; L23-H26 PolarHBondContact O-N 2.89Å; L23-G27 PolarHBondContact O-N 2.82Å; L23-H28 CarbonylContact C-O 3.52Å; L23-H28 HydrophobicContact CB-CB 4.28Å; L23-H28 HydrophobicContact CD2-CB 4.4Å; L23-H28 WeakPolarHBondContact O-CA 3.28Å; L23-H28 WeakPolarHBondContact O-CB 3.29Å; L23-H28 PolarHBondContact O-N 3.05Å; L23-A30 HydrophobicContact CB-CB 4.11Å; L23-A30 HydrophobicContact CD1-CB 3.87Å; L23-A253 HydrophobicContact CD2-CB 4.11Å; L23-A253 HydrophobicContact CG-CB 4.29Å; L23-I256 HydrophobicContact CD2-CB 4.24Å; L23-I256 HydrophobicContact CD2-CD1 4.11Å; L23-I256 HydrophobicContact CD2-CG2 4.05Å
24E96.1Very high91.7Very high144 Ų14457.3 Ų57.367%0.67333%0.329SS*.Hα-helixtrans-65-38174.7-172.8174-155.200112M20 K21 E22 H26 G27 H28M20-E24 WeakPolarHBondContact O-CB 3.16Å; M20-E24 PolarHBondContact O-N 3.33Å; K21-E24 PolarHBondContact O-N 2.63Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E24-H26 PolarHBondContact O-N 2.82Å; E24-G27 PolarHBondContact O-N 3.26Å; E24-H28 WeakPolarHBondContact CA-O 3.4Å; E24-H28 PolarHBondContact N-O 3.41Å
25S96.3Very high93.4Very high78 Ų7851.7 Ų51.755%0.54529%0.29SS..Hα-helixtrans-60.4-28.6174.687.20000112.4K21 E22K21-S25 PolarHBondContact O-N 2.98Å; E22-S25 PolarHBondContact O-N 3.48Å; E22-S25 PolarHBondContact O-OG 3.47Å; E22-S25 PolarHBondContact OE1-OG 2.83Å
26H96.1Very high94.4Very high79 Ų7950.6 Ų50.637%0.36628%0.277SS..THydrogen-bonded Turntrans-89.78.4173.7-76.1-98000114E22 L23 E24 A257E22-H26 PolarHBondContact O-CD2 3.27Å; E22-H26 VanDerWaalsContact O-CD2 3.27Å; E22-H26 PolarHBondContact O-N 3.08Å; L23-H26 CarbonylContact O-C 3.57Å; L23-H26 PolarHBondContact O-N 2.89Å; E24-H26 PolarHBondContact O-N 2.82Å; H26-A257 HydrophobicContact CB-CB 4.21Å; H26-A257 WeakPolarHBondContact ND1-CB 3.49Å
27G96.2Very high95Very high60 Ų6048 Ų4862%0.61926%0.261SS*.THydrogen-bonded Turntrans76.223.7177.900000114.3L23 E24L23-G27 PolarHBondContact O-N 2.82Å; E24-G27 PolarHBondContact O-N 3.26Å
28H96.6Very high94.8Very high17 Ų1750.7 Ų50.78%0.07927%0.272CS..  trans-110.3135.6178.2-58.8-27.9000111.4V3 L23 E24 A30 A257V3-H28 HydrophobicContact CG2-CB 3.88Å; L23-H28 CarbonylContact C-O 3.52Å; L23-H28 HydrophobicContact CB-CB 4.28Å; L23-H28 HydrophobicContact CD2-CB 4.4Å; L23-H28 WeakPolarHBondContact O-CA 3.28Å; L23-H28 WeakPolarHBondContact O-CB 3.29Å; L23-H28 PolarHBondContact O-N 3.05Å; E24-H28 WeakPolarHBondContact CA-O 3.4Å; E24-H28 PolarHBondContact N-O 3.41Å; H28-A30 PolarHBondContact O-N 3.33Å; H28-A257 WeakPolarHBondContact NE2-CA 3.42Å
29K96.4Very high94.7Very high130 Ų13054.2 Ų54.257%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-87.3110.8175.4-174.6174.8176.8-177.60108.7M1 H2 V3M1-K29 PolarHBondContact O-N 2.9Å; H2-K29 WeakPolarHBondContact CA-O 3.45Å; V3-K29 PolarHBondContact N-O 2.83Å
30A96.5Very high94.7Very high20 Ų2055.4 Ų55.417%0.16529%0.291CS..EExtended strand (participates in β ladder)trans-90.8147.3179.800000112.1V3 L5 M20 L23 H28V3-A30 CarbonylContact O-C 3.59Å; V3-A30 VanDerWaalsContact O-CA 3.26Å; V3-A30 WeakPolarHBondContact O-CA 3.31Å; L5-A30 HydrophobicContact CD1-CB 4.37Å; M20-A30 HydrophobicContact CB-CB 4.05Å; M20-A30 HydrophobicContact CG-CB 3.87Å; L23-A30 HydrophobicContact CB-CB 4.11Å; L23-A30 HydrophobicContact CD1-CB 3.87Å; H28-A30 PolarHBondContact O-N 3.33Å
31T96.9Very high94.7Very high32 Ų3254 Ų5420%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-131136.3164-61.60000108.5V3 L4 L5 Y184 Q188V3-T31 PolarHBondContact O-N 3.42Å; L4-T31 HydrophobicContact CD1-CG2 4.48Å; L5-T31 PolarHBondContact N-O 3.34Å; T31-Y184 HydrophobicContact CG2-CD2 3.75Å; T31-Y184 HydrophobicContact CG2-CE2 3.88Å; T31-Q188 PolarHBondContact OG1-NE2 3.38Å; T31-Q188 VanDerWaalsContact OG1-NE2 3.08Å
32L96.1Very high94.8Very high34 Ų3450.4 Ų50.418%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-106.2130179.2-176.2157.3000109.6L5 K7 P9 D17 M20L5-L32 HydrophobicContact CB-CB 4.4Å; L5-L32 WeakPolarHBondContact O-CA 3.47Å; K7-L32 HydrophobicContact CD-CD1 3.89Å; K7-L32 HydrophobicContact CG-CD1 3.67Å; K7-L32 HydrophobicContact CG-CG 3.9Å; K7-L32 WeakPolarHBondContact O-CD2 3.46Å; P9-L32 HydrophobicContact CB-CD2 4.42Å; D17-L32 HydrophobicContact CB-CD1 4.27Å; D17-L32 WeakPolarHBondContact OD2-CD1 3.42Å; M20-L32 HydrophobicContact SD-CB 3.98Å
33I96.3Very high94.7Very high7 Ų749.5 Ų49.54%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-119.8123170.9-66.5179.7000108.4L4 L5 L6 K7 V35 L177 N180 L181 Y184L4-I33 HydrophobicContact CD1-CB 4.45Å; L4-I33 HydrophobicContact CD1-CD1 3.69Å; L4-I33 HydrophobicContact CD1-CG1 3.86Å; L5-I33 PolarHBondContact O-N 3.44Å; L6-I33 HydrophobicContact CD2-CB 4.16Å; K7-I33 PolarHBondContact N-O 3.04Å; K7-I33 CarbonylContact O-C 3.6Å; I33-V35 VanDerWaalsContact O-CG1 3.3Å; I33-V35 WeakPolarHBondContact O-CG1 3.47Å; I33-L177 HydrophobicContact CG2-CD1 3.95Å; I33-N180 HydrophobicContact CD1-CB 4.21Å; I33-N180 HydrophobicContact CG1-CB 4.41Å; I33-N180 HydrophobicContact CG2-CB 3.83Å; I33-L181 HydrophobicContact CD1-CD2 3.95Å; I33-L181 HydrophobicContact CD1-CG 4.4Å; I33-Y184 HydrophobicContact CD1-CG 4.42Å
34P94.3Very high94.6Very high24 Ų2455.7 Ų55.716%0.15631%0.307CS..  trans-65.8138.617027.7-32.4000110.2K7K7-P34 WeakPolarHBondContact O-CA 3.26Å
35V93.5Very high94.6Very high1 Ų152.1 Ų52.11%0.00630%0.295CS..  trans-125.3-19.8-169.8-55.30000113.4L6 E8 I33 H174 L177 C205L6-V35 HydrophobicContact CB-CG1 3.77Å; L6-V35 HydrophobicContact CD2-CG1 3.84Å; L6-V35 HydrophobicContact CG-CG1 4.35Å; E8-V35 PolarHBondContact OE1-N 3.35Å; I33-V35 VanDerWaalsContact O-CG1 3.3Å; I33-V35 WeakPolarHBondContact O-CG1 3.47Å; V35-H174 PolarHBondContact O-N 2.9Å; V35-L177 HydrophobicContact CB-CD1 4.29Å; V35-L177 HydrophobicContact CG1-CD1 3.92Å; V35-C205 WeakPolarHBondContact CB-SG 3.25Å; V35-C205 WeakPolarHBondContact CG1-SG 3.33Å
36L90.3Very high94.7Very high26 Ų2648.4 Ų48.414%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-107.6149.7177.3-52.1-177.2000109.5E8 T171 A172 H174 F204E8-L36 HydrophobicContact CG-CB 4.11Å; E8-L36 HydrophobicContact CG-CG 4.49Å; E8-L36 WeakPolarHBondContact OE1-CA 3.42Å; E8-L36 WeakPolarHBondContact OE1-CB 3.41Å; E8-L36 PolarHBondContact OE1-N 3.21Å; L36-T171 HydrophobicContact CB-CG2 4.31Å; L36-T171 HydrophobicContact CD1-CG2 4.21Å; L36-T171 HydrophobicContact CD2-CG2 3.9Å; L36-T171 HydrophobicContact CG-CG2 4.37Å; L36-A172 CarbonylContact C-O 3.6Å; L36-A172 WeakPolarHBondContact CA-O 3.37Å; L36-H174 PolarHBondContact O-CD2 3.23Å; L36-F204 HydrophobicContact CD2-CD2 3.48Å; L36-F204 VanDerWaalsContact CD2-CD2 3.48Å; L36-F204 HydrophobicContact CD2-CE2 3.61Å
37S89.3Confident94.7Very high39 Ų3945.3 Ų45.327%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-137.8-175.1158.2-1740000107.7A172S37-A172 PolarHBondContact N-O 2.89Å; S37-A172 PolarHBondContact O-N 3.35Å
38F88.1Confident94.6Very high67 Ų6746.8 Ų46.829%0.29425%0.25SC..EExtended strand (participates in β ladder)trans-124.8135.5174.1-61-91.3000108.2R65 Y169 Q170F38-R65 VanDerWaalsContact CD2-CZ 3.47Å; F38-R65 VanDerWaalsContact CD2-NH2 3.26Å; F38-Y169 AromaticContact CD1-CD2 4Å; F38-Y169 HydrophobicContact CD1-CD2 4Å; F38-Y169 HydrophobicContact CD1-CE2 4.29Å; F38-Q170 WeakPolarHBondContact CA-O 3.33Å
39K91.8Very high94.7Very high104 Ų10448 Ų4845%0.45226%0.255SS..EExtended strand (participates in β ladder)trans-113.5138.717167.4-179.1-178.8178.50109.8V41 Y169 Q170 A172K39-V41 HydrophobicContact CD-CG1 4.39Å; K39-V41 HydrophobicContact CG-CG1 4.04Å; K39-Y169 CarbonylContact O-C 3.44Å; K39-Y169 WeakPolarHBondContact O-CA 3.31Å; K39-Q170 HydrophobicContact CD-CG 4.18Å; K39-Q170 VanDerWaalsContact CE-CG 3.45Å; K39-Q170 HydrophobicContact CG-CG 3.6Å; K39-Q170 PolarHBondContact N-O 3.32Å; K39-Q170 PolarHBondContact O-N 3.45Å; K39-A172 HydrophobicContact CB-CB 4.26Å; K39-A172 HydrophobicContact CD-CB 4.01Å; K39-A172 HydrophobicContact CG-CB 3.97Å
40F94.6Very high94.7Very high58 Ų5841.9 Ų41.925%0.25423%0.228SC..EExtended strand (participates in β ladder)trans-80.1136.5171.2-65.3-78.1000109.7L43 R65 E68 A69 M72 V168F40-L43 HydrophobicContact CB-CD1 3.91Å; F40-L43 HydrophobicContact CB-CD2 4.06Å; F40-L43 HydrophobicContact CB-CG 4.11Å; F40-R65 WeakPolarHBondContact CE1-O 3.49Å; F40-E68 HydrophobicContact CE1-CB 4.17Å; F40-E68 HydrophobicContact CZ-CB 3.83Å; F40-A69 HydrophobicContact CD1-CB 3.73Å; F40-A69 HydrophobicContact CE1-CB 3.89Å; F40-M72 HydrophobicContact CB-CE 4.31Å; F40-M72 HydrophobicContact CB-SD 4.12Å; F40-M72 HydrophobicContact CD1-SD 4.02Å; F40-M72 HydrophobicContact CD2-CE 3.8Å; F40-M72 HydrophobicContact CD2-SD 3.14Å; F40-M72 WeakPolarHBondContact CD2-SD 3.33Å; F40-M72 HydrophobicContact CE1-SD 4.23Å; F40-M72 HydrophobicContact CE2-CE 4.45Å; F40-M72 HydrophobicContact CE2-SD 3.39Å; F40-M72 WeakPolarHBondContact CE2-SD 3.27Å; F40-M72 HydrophobicContact CG-CE 4.2Å; F40-M72 HydrophobicContact CG-SD 3.47Å; F40-M72 WeakPolarHBondContact CG-SD 3.5Å; F40-M72 HydrophobicContact CZ-SD 3.93Å; F40-V168 WeakPolarHBondContact CA-O 3.41Å
41V95.1Very high94.7Very high30 Ų3041.5 Ų41.518%0.18222%0.223CC..  trans-134.7160.4-176.4-59.50000109.3K39 L43 T167 V168 Q170K39-V41 HydrophobicContact CD-CG1 4.39Å; K39-V41 HydrophobicContact CG-CG1 4.04Å; V41-L43 PolarHBondContact O-N 2.78Å; V41-T167 HydrophobicContact CG2-CG2 3.99Å; V41-T167 WeakPolarHBondContact CG2-O 3.37Å; V41-V168 PolarHBondContact N-O 3.22Å; V41-V168 CarbonylContact O-C 3.55Å; V41-V168 WeakPolarHBondContact O-CA 3.03Å; V41-Q170 HydrophobicContact CG1-CG 3.95Å
42S96Very high94.7Very high57 Ų5743 Ų4340%0.39923%0.228SC..  trans57.323.8176.4-46.40000115N44 T45 F46 T167S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 2.93Å; S42-T45 PolarHBondContact O-N 3.03Å; S42-F46 WeakPolarHBondContact O-CB 3.31Å; S42-F46 PolarHBondContact O-N 2.86Å; S42-T167 WeakPolarHBondContact CB-O 3.4Å; S42-T167 PolarHBondContact OG-O 3.24Å
43L95.8Very high94.8Very high30 Ų3041.5 Ų41.516%0.15722%0.22CC..Hα-helixtrans-61.9-32.4-174.4-68.3-177.9000113.6F40 V41 F46 S47 A69 M72 C73 M76F40-L43 HydrophobicContact CB-CD1 3.91Å; F40-L43 HydrophobicContact CB-CD2 4.06Å; F40-L43 HydrophobicContact CB-CG 4.11Å; V41-L43 PolarHBondContact O-N 2.78Å; L43-F46 PolarHBondContact O-N 3.4Å; L43-S47 VanDerWaalsContact O-CB 3.28Å; L43-S47 WeakPolarHBondContact O-CB 3.27Å; L43-S47 PolarHBondContact O-N 3.34Å; L43-A69 HydrophobicContact CD2-CB 4.03Å; L43-M72 HydrophobicContact CD1-CB 4.35Å; L43-M72 HydrophobicContact CD1-CE 3.98Å; L43-C73 PolarHBondContact O-SG 3.49Å; L43-M76 HydrophobicContact CD1-CE 3.56Å
44N94.4Very high94.8Very high132 Ų13246.4 Ų46.471%0.70624%0.243SC*.Hα-helixtrans-65.3-54.4176-66.5-11.5000110.6S42 F46 S47 D48S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 2.93Å; N44-F46 VanDerWaalsContact C-N 3.26Å; N44-F46 PolarHBondContact O-N 3.09Å; N44-S47 WeakPolarHBondContact O-CB 3.15Å; N44-S47 PolarHBondContact O-N 3.2Å; N44-D48 PolarHBondContact O-N 2.92Å
45T96.5Very high94.9Very high70 Ų7050.9 Ų50.943%0.42926%0.259SS..Hα-helixtrans-60.2-37.2176.1-51.40000112S42 D48 K49 L166S42-T45 PolarHBondContact O-N 3.03Å; T45-D48 PolarHBondContact O-N 3.32Å; T45-K49 HydrophobicContact CG2-CD 4.47Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.35Å; T45-K49 VanDerWaalsContact O-N 3.14Å; T45-L166 HydrophobicContact CG2-CD1 4.41Å; T45-L166 HydrophobicContact CG2-CD2 4.31Å
46F97.3Very high95.2Very high0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-64.9-46.1176.6-175.9-143.5000111.4S42 L43 N44 D48 K49 L50 A69 V70 F141 P143 L166 V168S42-F46 WeakPolarHBondContact O-CB 3.31Å; S42-F46 PolarHBondContact O-N 2.86Å; L43-F46 PolarHBondContact O-N 3.4Å; N44-F46 VanDerWaalsContact C-N 3.26Å; N44-F46 PolarHBondContact O-N 3.09Å; F46-D48 PolarHBondContact O-N 2.67Å; F46-K49 PolarHBondContact O-N 2.9Å; F46-L50 VanDerWaalsContact O-CB 3.27Å; F46-L50 WeakPolarHBondContact O-CB 3.3Å; F46-L50 PolarHBondContact O-N 3.5Å; F46-A69 HydrophobicContact CD1-CB 4.04Å; F46-A69 HydrophobicContact CE1-CB 3.73Å; F46-V70 HydrophobicContact CE1-CB 4.44Å; F46-V70 HydrophobicContact CE1-CG2 3.67Å; F46-V70 HydrophobicContact CZ-CG2 3.47Å; F46-V70 VanDerWaalsContact CZ-CG2 3.47Å; F46-F141 AromaticContact CD2-CE1 3.5Å; F46-F141 HydrophobicContact CD2-CE1 3.5Å; F46-F141 AromaticContact CD2-CZ 3.7Å; F46-F141 HydrophobicContact CD2-CZ 3.7Å; F46-F141 HydrophobicContact CE2-CD1 4.37Å; F46-F141 AromaticContact CE2-CE1 3.48Å; F46-F141 HydrophobicContact CE2-CE1 3.48Å; F46-F141 VanDerWaalsContact CE2-CE1 3.48Å; F46-F141 HydrophobicContact CE2-CZ 4.04Å; F46-P143 HydrophobicContact CD2-CB 4.28Å; F46-P143 HydrophobicContact CE2-CB 3.56Å; F46-P143 HydrophobicContact CE2-CG 3.81Å; F46-P143 HydrophobicContact CZ-CB 3.68Å; F46-P143 HydrophobicContact CZ-CG 3.87Å; F46-L166 HydrophobicContact CB-CD2 3.69Å; F46-L166 HydrophobicContact CD2-CD2 4.18Å; F46-L166 HydrophobicContact CG-CD2 4.31Å; F46-V168 HydrophobicContact CB-CG1 3.99Å; F46-V168 HydrophobicContact CD1-CB 4.29Å; F46-V168 HydrophobicContact CD1-CG1 3.81Å; F46-V168 HydrophobicContact CD2-CG1 3.89Å; F46-V168 HydrophobicContact CE1-CG1 4.22Å; F46-V168 HydrophobicContact CE2-CG1 4.32Å; F46-V168 HydrophobicContact CG-CG1 3.63Å; F46-V168 HydrophobicContact CZ-CG1 4.46Å
47S96.1Very high95.5Very high13 Ų1350.1 Ų50.19%0.09126%0.258CS..Hα-helixtrans-57.8-48.4174.8-171.60000111.2L43 N44 K49 L50 F51L43-S47 VanDerWaalsContact O-CB 3.28Å; L43-S47 WeakPolarHBondContact O-CB 3.27Å; L43-S47 PolarHBondContact O-N 3.34Å; N44-S47 WeakPolarHBondContact O-CB 3.15Å; N44-S47 PolarHBondContact O-N 3.2Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3Å; S47-L50 PolarHBondContact O-N 3.39Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.34Å; S47-F51 PolarHBondContact O-N 2.93Å; S47-F51 VanDerWaalsContact O-N 3.14Å
48D95.4Very high95.9Very high92 Ų9248.3 Ų48.349%0.49225%0.245SC..Hα-helixtrans-58.3-44.1180-67.6-24.6000112.4N44 T45 F46 F51 Q52N44-D48 PolarHBondContact O-N 2.92Å; T45-D48 PolarHBondContact O-N 3.32Å; F46-D48 PolarHBondContact O-N 2.67Å; D48-F51 PolarHBondContact O-N 3.43Å; D48-Q52 WeakPolarHBondContact O-CG 3.42Å; D48-Q52 PolarHBondContact O-N 2.93Å
49K97.3Very high96.4Very high42 Ų4245.1 Ų45.118%0.18323%0.231CC..Hα-helixtrans-69-40.6178-73.5-178169.8-70.80112.9T45 F46 S47 F51 Q52 H56 F141 E164T45-K49 HydrophobicContact CG2-CD 4.47Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.35Å; T45-K49 VanDerWaalsContact O-N 3.14Å; F46-K49 PolarHBondContact O-N 2.9Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3Å; K49-F51 PolarHBondContact O-N 2.78Å; K49-Q52 PolarHBondContact O-N 3.4Å; K49-H56 PolarHBondContact O-CE1 2.99Å; K49-F141 HydrophobicContact CB-CD1 4.47Å; K49-F141 HydrophobicContact CB-CE1 3.75Å; K49-F141 HydrophobicContact CB-CZ 3.8Å; K49-F141 HydrophobicContact CD-CD2 4.47Å; K49-F141 HydrophobicContact CD-CE1 4.36Å; K49-F141 HydrophobicContact CD-CE2 3.65Å; K49-F141 HydrophobicContact CD-CZ 3.58Å; K49-F141 HydrophobicContact CG-CZ 4.34Å; K49-E164 WeakPolarHBondContact CE-OE1 3.44Å; K49-E164 IonicContact NZ-OE1 2.83Å; K49-E164 PolarHBondContact NZ-OE1 3.5Å; K49-E164 IonicContact NZ-OE2 2.6Å; K49-E164 PolarHBondContact NZ-OE2 3.15Å
50L96.9Very high96.7Very high1 Ų140.1 Ų40.11%0.00521%0.21CC..Hα-helixtrans-61.4-29.5179-17074.4000111.7F46 S47 L59 V70 W83 I87 W91F46-L50 VanDerWaalsContact O-CB 3.27Å; F46-L50 WeakPolarHBondContact O-CB 3.3Å; F46-L50 PolarHBondContact O-N 3.5Å; S47-L50 PolarHBondContact O-N 3.39Å; L50-L59 HydrophobicContact CD1-CD1 4.45Å; L50-V70 HydrophobicContact CD1-CG2 4.38Å; L50-V70 HydrophobicContact CD2-CB 4.43Å; L50-V70 HydrophobicContact CD2-CG1 3.62Å; L50-V70 HydrophobicContact CD2-CG2 4.36Å; L50-W83 HydrophobicContact CD1-CH2 4.38Å; L50-W83 HydrophobicContact CD1-CZ3 4.13Å; L50-W83 HydrophobicContact CD2-CE3 4.3Å; L50-W83 HydrophobicContact CD2-CH2 4.46Å; L50-W83 HydrophobicContact CD2-CZ3 3.82Å; L50-W83 HydrophobicContact CG-CH2 4.48Å; L50-W83 HydrophobicContact CG-CZ3 3.78Å; L50-I87 WeakPolarHBondContact O-CG2 3.32Å; L50-W91 PolarHBondContact O-NE1 2.81Å
51F96.7Very high96.9Very high13 Ų1337.4 Ų37.46%0.05720%0.197CC..THydrogen-bonded Turntrans-94.310.6177.9-76.4-101.9000114S47 D48 K49 P53 L74 R79 E82 W83 I87S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.34Å; S47-F51 PolarHBondContact O-N 2.93Å; S47-F51 VanDerWaalsContact O-N 3.14Å; D48-F51 PolarHBondContact O-N 3.43Å; K49-F51 PolarHBondContact O-N 2.78Å; F51-P53 WeakPolarHBondContact O-CD 3.47Å; F51-L74 HydrophobicContact CE2-CD2 3.9Å; F51-L74 HydrophobicContact CZ-CD2 3.65Å; F51-R79 VanDerWaalsContact CB-CZ 3.44Å; F51-R79 HydrophobicContact CE1-CB 3.67Å; F51-R79 HydrophobicContact CE1-CG 4.5Å; F51-R79 HydrophobicContact CE2-CB 3.91Å; F51-R79 HydrophobicContact CE2-CG 4.48Å; F51-R79 VanDerWaalsContact CG-NH1 3.28Å; F51-R79 HydrophobicContact CZ-CB 3.22Å; F51-R79 HydrophobicContact CZ-CG 4.15Å; F51-E82 HydrophobicContact CD1-CG 4.01Å; F51-E82 WeakPolarHBondContact CD1-OE2 3.39Å; F51-E82 HydrophobicContact CE1-CB 3.97Å; F51-E82 HydrophobicContact CE1-CG 3.83Å; F51-E82 WeakPolarHBondContact CE1-OE2 3.5Å; F51-W83 HydrophobicContact CE1-CB 4.44Å; F51-W83 HydrophobicContact CZ-CB 4.21Å; F51-W83 HydrophobicContact CZ-CE3 4.37Å; F51-I87 HydrophobicContact CD1-CB 4.38Å; F51-I87 HydrophobicContact CD1-CD1 4.03Å; F51-I87 HydrophobicContact CD1-CG1 3.56Å; F51-I87 HydrophobicContact CD1-CG2 4.33Å; F51-I87 HydrophobicContact CE1-CB 4.46Å; F51-I87 HydrophobicContact CE1-CG1 3.85Å; F51-I87 HydrophobicContact CG-CG1 4.46Å
52Q96.8Very high96.8Very high64 Ų6438.1 Ų38.130%0.29920%0.202SC..  trans-121.659.2172.5-67.9173.39.700110.6D48 K49 E54 K55 H56D48-Q52 WeakPolarHBondContact O-CG 3.42Å; D48-Q52 PolarHBondContact O-N 2.93Å; K49-Q52 PolarHBondContact O-N 3.4Å; Q52-E54 WeakPolarHBondContact CA-OE1 3.44Å; Q52-E54 WeakPolarHBondContact CA-OE2 3.25Å; Q52-E54 WeakPolarHBondContact CB-OE1 3.35Å; Q52-E54 PolarHBondContact O-N 3.35Å; Q52-E54 VanDerWaalsContact O-N 3.17Å; Q52-K55 HydrophobicContact CB-CD 4.19Å; Q52-K55 HydrophobicContact CB-CG 4.28Å; Q52-K55 PolarHBondContact O-N 3.04Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; Q52-K55 VanDerWaalsContact OE1-CD 3.31Å; Q52-K55 VanDerWaalsContact OE1-CE 3.22Å; Q52-H56 PolarHBondContact O-ND1 3.05Å
53P97.4Very high96.7Very high1 Ų135.9 Ų35.91%0.00619%0.187CC..G310 helixtrans-58.8-27.7-178.324.8-34.5000112.7F51 K55 H56 K90 W91 K94F51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-K55 PolarHBondContact O-N 3.43Å; P53-H56 PolarHBondContact O-N 3.43Å; P53-H56 VanDerWaalsContact O-N 3.16Å; P53-H56 VanDerWaalsContact O-O 3.04Å; P53-K90 HydrophobicContact CB-CB 4.04Å; P53-K90 HydrophobicContact CG-CB 3.61Å; P53-K90 HydrophobicContact CG-CD 3.66Å; P53-K90 HydrophobicContact CG-CG 4.3Å; P53-W91 HydrophobicContact CB-CD2 3.92Å; P53-W91 HydrophobicContact CB-CE3 4.31Å; P53-W91 HydrophobicContact CB-CG 4.34Å; P53-W91 HydrophobicContact CB-CH2 4.44Å; P53-W91 HydrophobicContact CB-CZ2 4.04Å; P53-K94 WeakPolarHBondContact O-CE 3.38Å; P53-K94 PolarHBondContact O-NZ 3.48Å; P53-K94 VanDerWaalsContact O-NZ 3.15Å
54E97.1Very high96.6Very high111 Ų11136.4 Ų36.452%0.51919%0.191SC..G310 helixtrans-61.3-22.7177.168.7-71.6165.100114.1Q52 H56Q52-E54 WeakPolarHBondContact CA-OE1 3.44Å; Q52-E54 WeakPolarHBondContact CA-OE2 3.25Å; Q52-E54 WeakPolarHBondContact CB-OE1 3.35Å; Q52-E54 PolarHBondContact O-N 3.35Å; Q52-E54 VanDerWaalsContact O-N 3.17Å; E54-H56 VanDerWaalsContact C-N 3.33Å
55K97.6Very high96.6Very high117 Ų11734.4 Ų34.451%0.50917%0.174SC..G310 helixtrans-85.3-4.3178.5-64.3-171.1-178.1173.20114.2Q52 P53Q52-K55 HydrophobicContact CB-CD 4.19Å; Q52-K55 HydrophobicContact CB-CG 4.28Å; Q52-K55 PolarHBondContact O-N 3.04Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; Q52-K55 VanDerWaalsContact OE1-CD 3.31Å; Q52-K55 VanDerWaalsContact OE1-CE 3.22Å; P53-K55 PolarHBondContact O-N 3.43Å
56H98.1Very high96.6Very high2 Ų231 Ų311%0.00915%0.154CC..  trans-131.4146.6-171-52.796.5000111.3K49 Q52 P53 E54 W91 K94 P139 F141 E164K49-H56 PolarHBondContact O-CE1 2.99Å; Q52-H56 PolarHBondContact O-ND1 3.05Å; P53-H56 PolarHBondContact O-N 3.43Å; P53-H56 VanDerWaalsContact O-N 3.16Å; P53-H56 VanDerWaalsContact O-O 3.04Å; E54-H56 VanDerWaalsContact C-N 3.33Å; H56-W91 HydrophobicContact CB-CH2 3.69Å; H56-W91 HydrophobicContact CB-CZ3 4.02Å; H56-W91 AromaticContact CG-CH2 3.98Å; H56-W91 AromaticContact ND1-CH2 3.91Å; H56-K94 WeakPolarHBondContact O-CE 3.49Å; H56-K94 PolarHBondContact O-NZ 2.95Å; H56-P139 CarbonylContact C-O 3.57Å; H56-P139 WeakPolarHBondContact CA-O 3.05Å; H56-P139 WeakPolarHBondContact CB-O 3.28Å; H56-F141 HydrophobicContact CB-CB 4.3Å; H56-F141 AromaticContact CD2-CG 4Å; H56-E164 IonicContact CD2-OE2 3.32Å; H56-E164 IonicContact NE2-OE2 3.17Å; H56-E164 PolarHBondContact NE2-OE2 3.29Å
57G97.5Very high96.6Very high10 Ų1031 Ų3110%0.10315%0.154CC..SBendtrans-77.3-25.4177.500000112.6K94 P138 P139G57-K94 WeakPolarHBondContact O-CB 3.41Å; G57-P138 WeakPolarHBondContact CA-O 3.38Å; G57-P138 PolarHBondContact N-O 2.89Å; G57-P139 PolarHBondContact N-O 3.14Å
58G98.3Very high96.6Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans174.5-174.1-174.600000112.3S95 F141G58-S95 CarbonylContact C-O 3.57Å; G58-S95 WeakPolarHBondContact CA-O 3.39Å; G58-F141 PolarHBondContact O-N 3.41Å
59L98.4Very high96.7Very high0 Ų029.6 Ų29.60%014%0.143CC..EExtended strand (participates in β ladder)trans-118.8150.3177.4-75.6166000111L50 F61 W91 S95 I96 Y97 L112 F141L50-L59 HydrophobicContact CD1-CD1 4.45Å; L59-F61 HydrophobicContact CB-CD2 4.4Å; L59-F61 HydrophobicContact CB-CE2 3.88Å; L59-F61 HydrophobicContact CD1-CE2 3.96Å; L59-F61 HydrophobicContact CD1-CZ 4.3Å; L59-F61 HydrophobicContact CD2-CE2 4.43Å; L59-F61 HydrophobicContact CD2-CZ 4.34Å; L59-F61 HydrophobicContact CG-CE2 4.31Å; L59-W91 HydrophobicContact CD1-CD2 3.58Å; L59-W91 HydrophobicContact CD1-CE3 3.65Å; L59-W91 HydrophobicContact CD1-CG 4.02Å; L59-W91 HydrophobicContact CD1-CH2 4.33Å; L59-W91 HydrophobicContact CD1-CZ2 4.3Å; L59-W91 HydrophobicContact CD1-CZ3 4.05Å; L59-W91 HydrophobicContact CD2-CH2 3.86Å; L59-W91 HydrophobicContact CD2-CZ2 4.16Å; L59-W91 HydrophobicContact CD2-CZ3 4.09Å; L59-W91 HydrophobicContact CG-CD2 4.05Å; L59-W91 HydrophobicContact CG-CE3 3.63Å; L59-W91 HydrophobicContact CG-CH2 3.84Å; L59-W91 HydrophobicContact CG-CZ2 4.26Å; L59-W91 HydrophobicContact CG-CZ3 3.54Å; L59-S95 PolarHBondContact N-O 3.34Å; L59-I96 HydrophobicContact CB-CG1 4.43Å; L59-I96 HydrophobicContact CB-CG2 4.19Å; L59-I96 CarbonylContact O-C 3.51Å; L59-I96 WeakPolarHBondContact O-CA 3.33Å; L59-Y97 PolarHBondContact O-N 3.31Å; L59-L112 HydrophobicContact CD1-CD1 4.4Å; L59-F141 CarbonylContact C-O 3.57Å; L59-F141 WeakPolarHBondContact CA-O 3.22Å; L59-F141 HydrophobicContact CD2-CB 4.13Å; L59-F141 HydrophobicContact CD2-CD1 3.8Å; L59-F141 HydrophobicContact CD2-CG 4.41Å
60I98.1Very high96.7Very high0 Ų027.6 Ų27.60%013%0.134CC..EExtended strand (participates in β ladder)trans-129126.9171.3-52.4179.9000109.1T62 Y97 L125 I129 L140 F141 F142 P143 L152 L156 L163I60-T62 HydrophobicContact CG2-CG2 4.11Å; I60-Y97 CarbonylContact C-O 3.24Å; I60-Y97 WeakPolarHBondContact CA-O 3.46Å; I60-Y97 HydrophobicContact CG1-CD2 4.32Å; I60-L125 HydrophobicContact CG2-CD2 4.28Å; I60-I129 HydrophobicContact CD1-CD1 3.82Å; I60-I129 HydrophobicContact CG1-CD1 4.36Å; I60-L140 HydrophobicContact CD1-CB 3.99Å; I60-L140 HydrophobicContact CD1-CD1 3.95Å; I60-L140 HydrophobicContact CG1-CB 4.3Å; I60-L140 HydrophobicContact CG1-CD1 4.49Å; I60-F141 PolarHBondContact N-O 3.37Å; I60-F142 HydrophobicContact CB-CB 4.16Å; I60-F142 HydrophobicContact CB-CD2 3.82Å; I60-F142 HydrophobicContact CB-CG 4.19Å; I60-F142 HydrophobicContact CD1-CB 4.47Å; I60-F142 HydrophobicContact CG2-CD2 3.81Å; I60-F142 HydrophobicContact CG2-CE2 4.09Å; I60-F142 HydrophobicContact CG2-CG 4.36Å; I60-F142 WeakPolarHBondContact O-CD2 3.37Å; I60-P143 WeakPolarHBondContact O-CD 3.45Å; I60-L152 HydrophobicContact CD1-CD2 4.13Å; I60-L152 HydrophobicContact CG2-CD1 4.15Å; I60-L156 HydrophobicContact CD1-CD1 4Å; I60-L163 HydrophobicContact CD1-CD1 3.71Å
61F97.1Very high96.6Very high0 Ų030.6 Ų30.60%015%0.147CC..EExtended strand (participates in β ladder)trans-126109.4173.7-65.1-78.7000111.3L59 A66 V67 V70 I96 Y97 V98 V99 T103 V107 P143L59-F61 HydrophobicContact CB-CD2 4.4Å; L59-F61 HydrophobicContact CB-CE2 3.88Å; L59-F61 HydrophobicContact CD1-CE2 3.96Å; L59-F61 HydrophobicContact CD1-CZ 4.3Å; L59-F61 HydrophobicContact CD2-CE2 4.43Å; L59-F61 HydrophobicContact CD2-CZ 4.34Å; L59-F61 HydrophobicContact CG-CE2 4.31Å; F61-A66 HydrophobicContact CD1-CB 3.74Å; F61-A66 HydrophobicContact CE1-CB 4.28Å; F61-V67 HydrophobicContact CB-CG2 4.06Å; F61-V67 HydrophobicContact CD1-CG2 3.8Å; F61-V67 HydrophobicContact CE1-CG2 4.4Å; F61-V67 HydrophobicContact CG-CG2 3.93Å; F61-V70 HydrophobicContact CE1-CG2 3.9Å; F61-V70 HydrophobicContact CZ-CG2 3.83Å; F61-I96 HydrophobicContact CD2-CG2 4.41Å; F61-I96 HydrophobicContact CE2-CG2 4.49Å; F61-Y97 PolarHBondContact N-O 2.81Å; F61-V98 HydrophobicContact CB-CG1 4.3Å; F61-V98 CarbonylContact O-C 3.58Å; F61-V98 WeakPolarHBondContact O-CA 3.35Å; F61-V99 PolarHBondContact O-N 3.16Å; F61-T103 HydrophobicContact CB-CG2 3.77Å; F61-V107 HydrophobicContact CB-CG2 4.38Å; F61-V107 HydrophobicContact CD2-CG2 3.81Å; F61-V107 HydrophobicContact CE2-CG2 4.37Å; F61-V107 HydrophobicContact CG-CG2 4.2Å; F61-P143 HydrophobicContact CD1-CG 3.85Å; F61-P143 HydrophobicContact CE1-CG 3.43Å; F61-P143 VanDerWaalsContact CE1-CG 3.43Å; F61-P143 HydrophobicContact CZ-CG 4.1Å
62T94.8Very high96.5Very high45 Ų4532.8 Ų32.828%0.27616%0.158SC..  trans-101.47.5177.166.50000113I60 V99 F142 L152I60-T62 HydrophobicContact CG2-CG2 4.11Å; T62-V99 HydrophobicContact CG2-CG2 3.85Å; T62-F142 HydrophobicContact CG2-CE2 3.62Å; T62-F142 HydrophobicContact CG2-CZ 3.75Å; T62-L152 HydrophobicContact CG2-CD1 4.27Å
63S92.6Very high96.4Very high11 Ų1130 Ų308%0.07715%0.145CC..SBendtrans-154.7134.8-173.3174.80000111.3R65 A66 Y169S63-R65 PolarHBondContact O-N 3.47Å; S63-R65 PolarHBondContact OG-N 3.35Å; S63-A66 PolarHBondContact O-N 2.91Å; S63-A66 VanDerWaalsContact O-N 3.09Å; S63-Y169 WeakPolarHBondContact CB-OH 3.48Å; S63-Y169 PolarHBondContact OG-OH 2.92Å
64P94.3Very high96.2Very high40 Ų4029.9 Ų29.926%0.2615%0.145SC..Hα-helixtrans-48.2-38.9169.6-33.740.4000113.7A66 V67 E68 T103 L106P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.29Å; P64-V67 CarbonylContact O-C 3.54Å; P64-V67 WeakPolarHBondContact O-CA 3.34Å; P64-V67 WeakPolarHBondContact O-CB 3.25Å; P64-V67 PolarHBondContact O-N 3.43Å; P64-E68 PolarHBondContact O-N 3.44Å; P64-T103 WeakPolarHBondContact CD-OG1 3.43Å; P64-L106 HydrophobicContact CB-CD1 3.51Å; P64-L106 HydrophobicContact CG-CD1 4.32Å
65R94.6Very high95.8Very high90 Ų9029.8 Ų29.834%0.3415%0.148SC..Hα-helixtrans-62.7-37.3-178.8-67.8174.3170.478.55.8112.3F38 F40 S63 V67 E68 A69 Y169F38-R65 VanDerWaalsContact CD2-CZ 3.47Å; F38-R65 VanDerWaalsContact CD2-NH2 3.26Å; F40-R65 WeakPolarHBondContact CE1-O 3.49Å; S63-R65 PolarHBondContact O-N 3.47Å; S63-R65 PolarHBondContact OG-N 3.35Å; R65-V67 PolarHBondContact O-N 3.06Å; R65-E68 PolarHBondContact O-N 3.27Å; R65-A69 PolarHBondContact O-N 2.96Å; R65-Y169 HydrophobicContact CB-CD1 3.84Å; R65-Y169 HydrophobicContact CB-CD2 4.08Å; R65-Y169 HydrophobicContact CB-CE1 3.92Å; R65-Y169 HydrophobicContact CB-CE2 4.16Å; R65-Y169 HydrophobicContact CB-CG 3.92Å
66A95.9Very high95Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-65.2-29.4175.700000111.9F61 S63 P64 V70 P143 V168 Y169F61-A66 HydrophobicContact CD1-CB 3.74Å; F61-A66 HydrophobicContact CE1-CB 4.28Å; S63-A66 PolarHBondContact O-N 2.91Å; S63-A66 VanDerWaalsContact O-N 3.09Å; P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.29Å; A66-V70 PolarHBondContact O-N 2.9Å; A66-P143 HydrophobicContact CB-CB 4.33Å; A66-P143 HydrophobicContact CB-CG 4.44Å; A66-P143 VanDerWaalsContact CB-O 3.31Å; A66-P143 WeakPolarHBondContact CB-O 3.45Å; A66-V168 HydrophobicContact CB-CG2 4.15Å; A66-Y169 HydrophobicContact CB-CE1 4.28Å
67V97.6Very high93.8Very high0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-77.6-36.8175.1-1660000111.4F61 P64 R65 A69 V70 K71 T103 L106 V107 L110F61-V67 HydrophobicContact CB-CG2 4.06Å; F61-V67 HydrophobicContact CD1-CG2 3.8Å; F61-V67 HydrophobicContact CE1-CG2 4.4Å; F61-V67 HydrophobicContact CG-CG2 3.93Å; P64-V67 CarbonylContact O-C 3.54Å; P64-V67 WeakPolarHBondContact O-CA 3.34Å; P64-V67 WeakPolarHBondContact O-CB 3.25Å; P64-V67 PolarHBondContact O-N 3.43Å; R65-V67 PolarHBondContact O-N 3.06Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3.4Å; V67-V70 VanDerWaalsContact O-CB 3.31Å; V67-V70 WeakPolarHBondContact O-CB 3.49Å; V67-V70 PolarHBondContact O-N 3.03Å; V67-V70 VanDerWaalsContact O-N 3.1Å; V67-K71 PolarHBondContact O-N 3.16Å; V67-T103 HydrophobicContact CG2-CG2 3.71Å; V67-L106 HydrophobicContact CB-CB 4.03Å; V67-L106 HydrophobicContact CG1-CB 3.69Å; V67-L106 HydrophobicContact CG2-CB 4.39Å; V67-V107 HydrophobicContact CG1-CG2 4.01Å; V67-V107 HydrophobicContact CG2-CG2 3.66Å; V67-L110 HydrophobicContact CG1-CD1 3.5Å; V67-L110 VanDerWaalsContact CG1-CD1 3.5Å; V67-L110 HydrophobicContact CG1-CG 4.26Å
68E96.4Very high93Very high75 Ų7534.8 Ų34.835%0.3520%0.2SC..Hα-helixtrans-60.7-39.4170.9-70163.7-170.200111.6F40 P64 R65 V70 K71 M72F40-E68 HydrophobicContact CE1-CB 4.17Å; F40-E68 HydrophobicContact CZ-CB 3.83Å; P64-E68 PolarHBondContact O-N 3.44Å; R65-E68 PolarHBondContact O-N 3.27Å; E68-V70 PolarHBondContact O-N 3.32Å; E68-K71 WeakPolarHBondContact O-CB 3.4Å; E68-K71 PolarHBondContact O-N 3.18Å; E68-M72 WeakPolarHBondContact O-CG 3.29Å; E68-M72 PolarHBondContact O-N 2.88Å
69A96.7Very high92.5Very high0 Ų037.5 Ų37.50%021%0.211CC..Hα-helixtrans-58-34.4173.600000111.9F40 L43 F46 R65 V67 M72 C73 V168F40-A69 HydrophobicContact CD1-CB 3.73Å; F40-A69 HydrophobicContact CE1-CB 3.89Å; L43-A69 HydrophobicContact CD2-CB 4.03Å; F46-A69 HydrophobicContact CD1-CB 4.04Å; F46-A69 HydrophobicContact CE1-CB 3.73Å; R65-A69 PolarHBondContact O-N 2.96Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3.4Å; A69-M72 PolarHBondContact O-N 3.43Å; A69-C73 PolarHBondContact O-N 3.19Å; A69-C73 PolarHBondContact O-SG 2.99Å; A69-V168 HydrophobicContact CB-CB 4.11Å; A69-V168 HydrophobicContact CB-CG2 3.9Å
70V97.2Very high92.3Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-64.5-49.3173.7175.30000110.1F46 L50 F61 A66 V67 E68 M72 C73 L74 L110F46-V70 HydrophobicContact CE1-CB 4.44Å; F46-V70 HydrophobicContact CE1-CG2 3.67Å; F46-V70 HydrophobicContact CZ-CG2 3.47Å; F46-V70 VanDerWaalsContact CZ-CG2 3.47Å; L50-V70 HydrophobicContact CD1-CG2 4.38Å; L50-V70 HydrophobicContact CD2-CB 4.43Å; L50-V70 HydrophobicContact CD2-CG1 3.62Å; L50-V70 HydrophobicContact CD2-CG2 4.36Å; F61-V70 HydrophobicContact CE1-CG2 3.9Å; F61-V70 HydrophobicContact CZ-CG2 3.83Å; A66-V70 PolarHBondContact O-N 2.9Å; V67-V70 VanDerWaalsContact O-CB 3.31Å; V67-V70 WeakPolarHBondContact O-CB 3.49Å; V67-V70 PolarHBondContact O-N 3.03Å; V67-V70 VanDerWaalsContact O-N 3.1Å; E68-V70 PolarHBondContact O-N 3.32Å; V70-M72 VanDerWaalsContact C-N 3.26Å; V70-M72 PolarHBondContact O-N 3.16Å; V70-C73 WeakPolarHBondContact O-CB 3.26Å; V70-C73 PolarHBondContact O-N 3.33Å; V70-C73 VanDerWaalsContact O-N 3.08Å; V70-L74 HydrophobicContact CG1-CD1 4.11Å; V70-L74 HydrophobicContact CG1-CG 4.22Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 2.88Å; V70-L110 HydrophobicContact CB-CD1 3.87Å; V70-L110 HydrophobicContact CG1-CD1 3.62Å; V70-L110 HydrophobicContact CG1-CD2 4.2Å; V70-L110 HydrophobicContact CG2-CD1 4.42Å
71K95.6Very high92.1Very high64 Ų6448.6 Ų48.628%0.27826%0.259SS..Hα-helixtrans-54.5-46.1177.4-65.2179.9178.3-177.10110.8V67 E68 C73 L74 D75 S109 L110V67-K71 PolarHBondContact O-N 3.16Å; E68-K71 WeakPolarHBondContact O-CB 3.4Å; E68-K71 PolarHBondContact O-N 3.18Å; K71-C73 PolarHBondContact O-N 3.35Å; K71-L74 WeakPolarHBondContact O-CB 3.48Å; K71-L74 PolarHBondContact O-N 2.88Å; K71-L74 VanDerWaalsContact O-N 3.1Å; K71-D75 WeakPolarHBondContact O-CB 3.41Å; K71-D75 PolarHBondContact O-N 2.95Å; K71-S109 WeakPolarHBondContact CE-OG 3.34Å; K71-S109 PolarHBondContact NZ-OG 3.35Å; K71-L110 HydrophobicContact CG-CD2 3.68Å
72M94.6Very high92Very high58 Ų5852.3 Ų52.329%0.28628%0.276SS..Hα-helixtrans-57.9-44.4175.6-73.9-174.779.500113.3F40 L43 E68 A69 V70 L74 M76F40-M72 HydrophobicContact CB-CE 4.31Å; F40-M72 HydrophobicContact CB-SD 4.12Å; F40-M72 HydrophobicContact CD1-SD 4.02Å; F40-M72 HydrophobicContact CD2-CE 3.8Å; F40-M72 HydrophobicContact CD2-SD 3.14Å; F40-M72 WeakPolarHBondContact CD2-SD 3.33Å; F40-M72 HydrophobicContact CE1-SD 4.23Å; F40-M72 HydrophobicContact CE2-CE 4.45Å; F40-M72 HydrophobicContact CE2-SD 3.39Å; F40-M72 WeakPolarHBondContact CE2-SD 3.27Å; F40-M72 HydrophobicContact CG-CE 4.2Å; F40-M72 HydrophobicContact CG-SD 3.47Å; F40-M72 WeakPolarHBondContact CG-SD 3.5Å; F40-M72 HydrophobicContact CZ-SD 3.93Å; L43-M72 HydrophobicContact CD1-CB 4.35Å; L43-M72 HydrophobicContact CD1-CE 3.98Å; E68-M72 WeakPolarHBondContact O-CG 3.29Å; E68-M72 PolarHBondContact O-N 2.88Å; A69-M72 PolarHBondContact O-N 3.43Å; V70-M72 VanDerWaalsContact C-N 3.26Å; V70-M72 PolarHBondContact O-N 3.16Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3.03Å; M72-M76 HydrophobicContact CB-CE 3.76Å; M72-M76 HydrophobicContact CE-CE 3.52Å; M72-M76 HydrophobicContact CG-CE 4.35Å; M72-M76 VanDerWaalsContact O-CB 3.32Å; M72-M76 WeakPolarHBondContact O-CB 3.42Å; M72-M76 PolarHBondContact O-N 3.13Å
73C94.8Very high92.1Very high5 Ų550.1 Ų50.13%0.03426%0.263CS..Hα-helixtrans-63.4-37.6175-69.40000112.5L43 A69 V70 K71 G77L43-C73 PolarHBondContact O-SG 3.49Å; A69-C73 PolarHBondContact O-N 3.19Å; A69-C73 PolarHBondContact O-SG 2.99Å; V70-C73 WeakPolarHBondContact O-CB 3.26Å; V70-C73 PolarHBondContact O-N 3.33Å; V70-C73 VanDerWaalsContact O-N 3.08Å; K71-C73 PolarHBondContact O-N 3.35Å; C73-G77 WeakPolarHBondContact O-CA 3.11Å; C73-G77 PolarHBondContact O-N 2.85Å; C73-G77 VanDerWaalsContact O-N 3.14Å
74L93.2Very high92.2Very high0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-69.7-43178.8-64.6-177.9000112.3F51 V70 K71 M72 G78 R79 R80 W83 L110F51-L74 HydrophobicContact CE2-CD2 3.9Å; F51-L74 HydrophobicContact CZ-CD2 3.65Å; V70-L74 HydrophobicContact CG1-CD1 4.11Å; V70-L74 HydrophobicContact CG1-CG 4.22Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 2.88Å; K71-L74 WeakPolarHBondContact O-CB 3.48Å; K71-L74 PolarHBondContact O-N 2.88Å; K71-L74 VanDerWaalsContact O-N 3.1Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3.03Å; L74-G78 PolarHBondContact O-N 2.77Å; L74-R79 PolarHBondContact O-N 2.89Å; L74-R79 VanDerWaalsContact O-N 3.16Å; L74-R80 PolarHBondContact O-N 2.97Å; L74-W83 HydrophobicContact CD1-CD2 4.07Å; L74-W83 HydrophobicContact CD1-CG 3.93Å; L74-W83 HydrophobicContact CD2-CB 3.61Å; L74-W83 HydrophobicContact CD2-CD2 3.81Å; L74-W83 HydrophobicContact CD2-CE3 3.91Å; L74-W83 HydrophobicContact CD2-CG 3.69Å; L74-W83 HydrophobicContact CG-CG 4.48Å; L74-L110 HydrophobicContact CD1-CD2 4.09Å
75D89.1Confident92.3Very high108 Ų10859.3 Ų59.358%0.57830%0.301SS*.Hα-helixtrans-79.7-50.9-173.3-62-20.8000111.1K71 G77 G78K71-D75 WeakPolarHBondContact O-CB 3.41Å; K71-D75 PolarHBondContact O-N 2.95Å; D75-G77 VanDerWaalsContact C-N 3.34Å; D75-G77 PolarHBondContact O-N 2.88Å; D75-G78 PolarHBondContact O-N 2.78Å
76M80.1Confident92.3Very high127 Ų12757 Ų5763%0.62630%0.299SS*.Hα-helixtrans-72.4-29178.9-67.9-169.9-75.400112.9L43 M72 G78L43-M76 HydrophobicContact CD1-CE 3.56Å; M72-M76 HydrophobicContact CB-CE 3.76Å; M72-M76 HydrophobicContact CE-CE 3.52Å; M72-M76 HydrophobicContact CG-CE 4.35Å; M72-M76 VanDerWaalsContact O-CB 3.32Å; M72-M76 WeakPolarHBondContact O-CB 3.42Å; M72-M76 PolarHBondContact O-N 3.13Å; M76-G78 VanDerWaalsContact C-N 3.28Å; M76-G78 PolarHBondContact O-N 2.9Å
77G72.1Confident92.4Very high44 Ų4457.1 Ų57.145%0.45430%0.3SS..THydrogen-bonded Turntrans-79.3-9.5178.200000113.9C73 D75 R79C73-G77 WeakPolarHBondContact O-CA 3.11Å; C73-G77 PolarHBondContact O-N 2.85Å; C73-G77 VanDerWaalsContact O-N 3.14Å; D75-G77 VanDerWaalsContact C-N 3.34Å; D75-G77 PolarHBondContact O-N 2.88Å; G77-R79 WeakPolarHBondContact O-CG 3.31Å; G77-R79 PolarHBondContact O-N 2.89Å; G77-R79 VanDerWaalsContact O-N 3.15Å
78G81.7Confident92.4Very high63 Ų6359.6 Ų59.665%0.64931%0.31SS*.THydrogen-bonded Turntrans61.318.2-171.200000113.3L74 D75 M76L74-G78 PolarHBondContact O-N 2.77Å; D75-G78 PolarHBondContact O-N 2.78Å; M76-G78 VanDerWaalsContact C-N 3.28Å; M76-G78 PolarHBondContact O-N 2.9Å
79R88.6Confident92.4Very high58 Ų5860.2 Ų60.222%0.21932%0.316CS..  trans-95.511-171.5-51.8-171.470.4174.15.7113.4F51 L74 G77 E81 E82 W83F51-R79 VanDerWaalsContact CB-CZ 3.44Å; F51-R79 HydrophobicContact CE1-CB 3.67Å; F51-R79 HydrophobicContact CE1-CG 4.5Å; F51-R79 HydrophobicContact CE2-CB 3.91Å; F51-R79 HydrophobicContact CE2-CG 4.48Å; F51-R79 VanDerWaalsContact CG-NH1 3.28Å; F51-R79 HydrophobicContact CZ-CB 3.22Å; F51-R79 HydrophobicContact CZ-CG 4.15Å; L74-R79 PolarHBondContact O-N 2.89Å; L74-R79 VanDerWaalsContact O-N 3.16Å; G77-R79 WeakPolarHBondContact O-CG 3.31Å; G77-R79 PolarHBondContact O-N 2.89Å; G77-R79 VanDerWaalsContact O-N 3.15Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 3.21Å; R79-E82 IonicContact CZ-OE2 3.95Å; R79-E82 VanDerWaalsContact CZ-OE2 3.32Å; R79-E82 IonicContact NE-OE2 2.81Å; R79-E82 PolarHBondContact NE-OE2 2.83Å; R79-E82 IonicContact NH2-OE1 2.93Å; R79-E82 PolarHBondContact NH2-OE1 3.26Å; R79-E82 IonicContact NH2-OE2 3.82Å; R79-E82 PolarHBondContact NH2-OE2 3.46Å; R79-E82 PolarHBondContact O-N 3.08Å; R79-W83 WeakPolarHBondContact O-CB 3.45Å; R79-W83 PolarHBondContact O-N 3.25Å
80R93.3Very high92.5Very high79 Ų7964.9 Ų64.930%0.29834%0.336SS..Hα-helixtrans-58.7-38.3179.9-168.973-137.7-155.61.5112.5L74 W83 N84L74-R80 PolarHBondContact O-N 2.97Å; R80-W83 WeakPolarHBondContact O-CB 3.48Å; R80-W83 PolarHBondContact O-N 3.24Å; R80-N84 PolarHBondContact NE-OD1 3.21Å; R80-N84 PolarHBondContact NH2-OD1 2.67Å; R80-N84 VanDerWaalsContact NH2-OD1 3.16Å; R80-N84 WeakPolarHBondContact O-CB 3.39Å; R80-N84 VanDerWaalsContact O-CG 3.25Å; R80-N84 PolarHBondContact O-N 2.72Å; R80-N84 PolarHBondContact O-ND2 3.37Å
81E93.6Very high92.6Very high153 Ų15364.9 Ų64.972%0.71534%0.336SS*.Hα-helixtrans-66.1-50.6178.2-171.5-177.4170.500111.3R79 W83 N84 K85R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 3.21Å; E81-W83 VanDerWaalsContact C-N 3.26Å; E81-W83 PolarHBondContact O-N 3.29Å; E81-N84 PolarHBondContact O-N 3.43Å; E81-K85 VanDerWaalsContact O-CB 3.22Å; E81-K85 WeakPolarHBondContact O-CB 3.24Å; E81-K85 PolarHBondContact O-N 3.29Å
82E94.9Very high92.7Very high78 Ų7863.6 Ų63.636%0.36433%0.332SS..Hα-helixtrans-57.9-41176-175.7-172.6-178.700111.5F51 R79 K85 S86 I87F51-E82 HydrophobicContact CD1-CG 4.01Å; F51-E82 WeakPolarHBondContact CD1-OE2 3.39Å; F51-E82 HydrophobicContact CE1-CB 3.97Å; F51-E82 HydrophobicContact CE1-CG 3.83Å; F51-E82 WeakPolarHBondContact CE1-OE2 3.5Å; R79-E82 IonicContact CZ-OE2 3.95Å; R79-E82 VanDerWaalsContact CZ-OE2 3.32Å; R79-E82 IonicContact NE-OE2 2.81Å; R79-E82 PolarHBondContact NE-OE2 2.83Å; R79-E82 IonicContact NH2-OE1 2.93Å; R79-E82 PolarHBondContact NH2-OE1 3.26Å; R79-E82 IonicContact NH2-OE2 3.82Å; R79-E82 PolarHBondContact NH2-OE2 3.46Å; R79-E82 PolarHBondContact O-N 3.08Å; E82-K85 PolarHBondContact O-N 2.97Å; E82-S86 PolarHBondContact O-N 3.49Å; E82-S86 VanDerWaalsContact O-N 3.12Å; E82-I87 HydrophobicContact CG-CG1 4.03Å; E82-I87 PolarHBondContact O-N 3.3Å
83W96.9Very high92.8Very high0 Ų065.5 Ų65.50%035%0.352CS..Iπ-helixtrans-57.1-54.8174.5178.1-95.6000112.2L50 F51 L74 R79 R80 E81 K85 I87 K88 W91 L110 L112L50-W83 HydrophobicContact CD1-CH2 4.38Å; L50-W83 HydrophobicContact CD1-CZ3 4.13Å; L50-W83 HydrophobicContact CD2-CE3 4.3Å; L50-W83 HydrophobicContact CD2-CH2 4.46Å; L50-W83 HydrophobicContact CD2-CZ3 3.82Å; L50-W83 HydrophobicContact CG-CH2 4.48Å; L50-W83 HydrophobicContact CG-CZ3 3.78Å; F51-W83 HydrophobicContact CE1-CB 4.44Å; F51-W83 HydrophobicContact CZ-CB 4.21Å; F51-W83 HydrophobicContact CZ-CE3 4.37Å; L74-W83 HydrophobicContact CD1-CD2 4.07Å; L74-W83 HydrophobicContact CD1-CG 3.93Å; L74-W83 HydrophobicContact CD2-CB 3.61Å; L74-W83 HydrophobicContact CD2-CD2 3.81Å; L74-W83 HydrophobicContact CD2-CE3 3.91Å; L74-W83 HydrophobicContact CD2-CG 3.69Å; L74-W83 HydrophobicContact CG-CG 4.48Å; R79-W83 WeakPolarHBondContact O-CB 3.45Å; R79-W83 PolarHBondContact O-N 3.25Å; R80-W83 WeakPolarHBondContact O-CB 3.48Å; R80-W83 PolarHBondContact O-N 3.24Å; E81-W83 VanDerWaalsContact C-N 3.26Å; E81-W83 PolarHBondContact O-N 3.29Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 3.13Å; W83-I87 HydrophobicContact CE3-CB 3.98Å; W83-I87 HydrophobicContact CE3-CG2 3.61Å; W83-I87 HydrophobicContact CZ3-CB 4.47Å; W83-I87 HydrophobicContact CZ3-CG2 3.67Å; W83-I87 PolarHBondContact O-N 3.11Å; W83-K88 HydrophobicContact CD2-CB 4.31Å; W83-K88 HydrophobicContact CG-CB 4.49Å; W83-K88 HydrophobicContact CZ2-CB 4.25Å; W83-K88 HydrophobicContact CZ2-CG 4.43Å; W83-K88 VanDerWaalsContact O-CB 3.26Å; W83-K88 WeakPolarHBondContact O-CB 3.35Å; W83-K88 PolarHBondContact O-N 3.19Å; W83-W91 AromaticContact CH2-CD1 3.72Å; W83-W91 AromaticContact CZ3-CD1 3.63Å; W83-W91 AromaticContact CZ3-NE1 3.95Å; W83-L110 HydrophobicContact CZ2-CB 4.42Å; W83-L110 PolarHBondContact NE1-O 3.35Å; W83-L110 VanDerWaalsContact NE1-O 3.11Å; W83-L112 HydrophobicContact CH2-CD1 4Å; W83-L112 HydrophobicContact CH2-CD2 4.02Å; W83-L112 HydrophobicContact CH2-CG 4.34Å; W83-L112 HydrophobicContact CZ2-CD1 3.9Å; W83-L112 HydrophobicContact CZ2-CD2 3.74Å; W83-L112 HydrophobicContact CZ2-CG 3.86Å
84N95.6Very high93Very high77 Ų7768.1 Ų68.141%0.41236%0.362SS..Iπ-helixtrans-68.2-31.1-177.2-71-20.5000112.3R80 E81R80-N84 PolarHBondContact NE-OD1 3.21Å; R80-N84 PolarHBondContact NH2-OD1 2.67Å; R80-N84 VanDerWaalsContact NH2-OD1 3.16Å; R80-N84 WeakPolarHBondContact O-CB 3.39Å; R80-N84 VanDerWaalsContact O-CG 3.25Å; R80-N84 PolarHBondContact O-N 2.72Å; R80-N84 PolarHBondContact O-ND2 3.37Å; E81-N84 PolarHBondContact O-N 3.43Å
85K95.3Very high93.2Very high166 Ų16669.5 Ų69.572%0.72237%0.372SS*.Iπ-helixtrans-76.2-37.2-177.1-175.3177-178.3177.40113.4E81 E82 W83E81-K85 VanDerWaalsContact O-CB 3.22Å; E81-K85 WeakPolarHBondContact O-CB 3.24Å; E81-K85 PolarHBondContact O-N 3.29Å; E82-K85 PolarHBondContact O-N 2.97Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 3.13Å
86S95.3Very high93.7Very high42 Ų4264.4 Ų64.429%0.29435%0.345SS..Iπ-helixtrans-151.6-36.3-174.669.70000116.3E82 D89 K90E82-S86 PolarHBondContact O-N 3.49Å; E82-S86 VanDerWaalsContact O-N 3.12Å; S86-D89 PolarHBondContact O-N 3.48Å; S86-K90 WeakPolarHBondContact O-CG 3.37Å; S86-K90 PolarHBondContact O-N 2.66Å
87I97.7Very high94.5Very high3 Ų358.3 Ų58.32%0.01532%0.315CS..Iπ-helixtrans-70.8-40.8-168.8-56-68.7000111.6L50 F51 E82 W83 D89 K90 W91L50-I87 WeakPolarHBondContact O-CG2 3.32Å; F51-I87 HydrophobicContact CD1-CB 4.38Å; F51-I87 HydrophobicContact CD1-CD1 4.03Å; F51-I87 HydrophobicContact CD1-CG1 3.56Å; F51-I87 HydrophobicContact CD1-CG2 4.33Å; F51-I87 HydrophobicContact CE1-CB 4.46Å; F51-I87 HydrophobicContact CE1-CG1 3.85Å; F51-I87 HydrophobicContact CG-CG1 4.46Å; E82-I87 HydrophobicContact CG-CG1 4.03Å; E82-I87 PolarHBondContact O-N 3.3Å; W83-I87 HydrophobicContact CE3-CB 3.98Å; W83-I87 HydrophobicContact CE3-CG2 3.61Å; W83-I87 HydrophobicContact CZ3-CB 4.47Å; W83-I87 HydrophobicContact CZ3-CG2 3.67Å; W83-I87 PolarHBondContact O-N 3.11Å; I87-D89 VanDerWaalsContact C-N 3.26Å; I87-D89 PolarHBondContact O-N 3.32Å; I87-K90 PolarHBondContact O-N 2.88Å; I87-W91 PolarHBondContact O-N 3.07Å
88K97.1Very high95.8Very high52 Ų5256.2 Ų56.223%0.22629%0.293CS..Hα-helixtrans-54-43.7174.9-179.3-160.669.9179.60111.8W83 W91 N92 G111 L112W83-K88 HydrophobicContact CD2-CB 4.31Å; W83-K88 HydrophobicContact CG-CB 4.49Å; W83-K88 HydrophobicContact CZ2-CB 4.25Å; W83-K88 HydrophobicContact CZ2-CG 4.43Å; W83-K88 VanDerWaalsContact O-CB 3.26Å; W83-K88 WeakPolarHBondContact O-CB 3.35Å; W83-K88 PolarHBondContact O-N 3.19Å; K88-W91 PolarHBondContact O-N 3.35Å; K88-N92 PolarHBondContact O-N 3.33Å; K88-N92 PolarHBondContact O-ND2 3.46Å; K88-G111 WeakPolarHBondContact CD-O 3.26Å; K88-G111 WeakPolarHBondContact CG-O 3.33Å; K88-L112 HydrophobicContact CG-CD2 4.06Å
89D97.9Very high96.4Very high88 Ų8854.1 Ų54.147%0.47127%0.268SS..Hα-helixtrans-73-34.4-177.5-65.2-21.6000111.8S86 I87 W91 N92 S93S86-D89 PolarHBondContact O-N 3.48Å; I87-D89 VanDerWaalsContact C-N 3.26Å; I87-D89 PolarHBondContact O-N 3.32Å; D89-W91 VanDerWaalsContact C-N 3.33Å; D89-W91 PolarHBondContact O-N 2.88Å; D89-N92 PolarHBondContact O-N 3.4Å; D89-S93 PolarHBondContact O-N 3.22Å; D89-S93 VanDerWaalsContact O-N 3.1Å
90K98.4Very high96.6Very high98 Ų9852.4 Ų52.443%0.42627%0.268SS..Hα-helixtrans-64.2-34.4170.8-67.8176.9-178-179.40113P53 S86 I87 S93P53-K90 HydrophobicContact CB-CB 4.04Å; P53-K90 HydrophobicContact CG-CB 3.61Å; P53-K90 HydrophobicContact CG-CD 3.66Å; P53-K90 HydrophobicContact CG-CG 4.3Å; S86-K90 WeakPolarHBondContact O-CG 3.37Å; S86-K90 PolarHBondContact O-N 2.66Å; I87-K90 PolarHBondContact O-N 2.88Å; K90-S93 PolarHBondContact O-OG 2.91Å
91W98.4Very high96.7Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-72.8-37.9171.6-79.3117.4000112.1L50 P53 H56 L59 W83 I87 K88 D89 S93 K94 I96 L112L50-W91 PolarHBondContact O-NE1 2.81Å; P53-W91 HydrophobicContact CB-CD2 3.92Å; P53-W91 HydrophobicContact CB-CE3 4.31Å; P53-W91 HydrophobicContact CB-CG 4.34Å; P53-W91 HydrophobicContact CB-CH2 4.44Å; P53-W91 HydrophobicContact CB-CZ2 4.04Å; H56-W91 HydrophobicContact CB-CH2 3.69Å; H56-W91 HydrophobicContact CB-CZ3 4.02Å; H56-W91 AromaticContact CG-CH2 3.98Å; H56-W91 AromaticContact ND1-CH2 3.91Å; L59-W91 HydrophobicContact CD1-CD2 3.58Å; L59-W91 HydrophobicContact CD1-CE3 3.65Å; L59-W91 HydrophobicContact CD1-CG 4.02Å; L59-W91 HydrophobicContact CD1-CH2 4.33Å; L59-W91 HydrophobicContact CD1-CZ2 4.3Å; L59-W91 HydrophobicContact CD1-CZ3 4.05Å; L59-W91 HydrophobicContact CD2-CH2 3.86Å; L59-W91 HydrophobicContact CD2-CZ2 4.16Å; L59-W91 HydrophobicContact CD2-CZ3 4.09Å; L59-W91 HydrophobicContact CG-CD2 4.05Å; L59-W91 HydrophobicContact CG-CE3 3.63Å; L59-W91 HydrophobicContact CG-CH2 3.84Å; L59-W91 HydrophobicContact CG-CZ2 4.26Å; L59-W91 HydrophobicContact CG-CZ3 3.54Å; W83-W91 AromaticContact CH2-CD1 3.72Å; W83-W91 AromaticContact CZ3-CD1 3.63Å; W83-W91 AromaticContact CZ3-NE1 3.95Å; I87-W91 PolarHBondContact O-N 3.07Å; K88-W91 PolarHBondContact O-N 3.35Å; D89-W91 VanDerWaalsContact C-N 3.33Å; D89-W91 PolarHBondContact O-N 2.88Å; W91-S93 PolarHBondContact O-N 3.49Å; W91-K94 HydrophobicContact CE3-CD 3.95Å; W91-K94 HydrophobicContact CZ3-CD 4.11Å; W91-K94 WeakPolarHBondContact O-CA 3.36Å; W91-K94 WeakPolarHBondContact O-CB 3.34Å; W91-K94 PolarHBondContact O-N 3.15Å; W91-I96 HydrophobicContact CB-CD1 4.22Å; W91-L112 HydrophobicContact CB-CD2 3.77Å
92N98.4Very high96.7Very high36 Ų3651.1 Ų51.119%0.19328%0.275CS..Hα-helixtrans-68.5-14.4177.2-81.5-33.8000114.2K88 D89 G111 L112 K113K88-N92 PolarHBondContact O-N 3.33Å; K88-N92 PolarHBondContact O-ND2 3.46Å; D89-N92 PolarHBondContact O-N 3.4Å; N92-G111 PolarHBondContact ND2-O 3.45Å; N92-L112 VanDerWaalsContact OD1-CA 3.28Å; N92-L112 WeakPolarHBondContact OD1-CA 3.38Å; N92-K113 PolarHBondContact OD1-N 2.69Å
93S97.4Very high96.7Very high99 Ų9947.6 Ų47.669%0.69226%0.259SS*.THydrogen-bonded Turntrans-83.13.5168.875.30000113.2D89 K90 W91D89-S93 PolarHBondContact O-N 3.22Å; D89-S93 VanDerWaalsContact O-N 3.1Å; K90-S93 PolarHBondContact O-OG 2.91Å; W91-S93 PolarHBondContact O-N 3.49Å
94K97.8Very high96.8Very high59 Ų5947.6 Ų47.626%0.25726%0.259SS..SBendtrans-123.8171.1-179.8-64.6171.9-176.8-820109.7P53 H56 G57 W91P53-K94 WeakPolarHBondContact O-CE 3.38Å; P53-K94 PolarHBondContact O-NZ 3.48Å; P53-K94 VanDerWaalsContact O-NZ 3.15Å; H56-K94 WeakPolarHBondContact O-CE 3.49Å; H56-K94 PolarHBondContact O-NZ 2.95Å; G57-K94 WeakPolarHBondContact O-CB 3.41Å; W91-K94 HydrophobicContact CE3-CD 3.95Å; W91-K94 HydrophobicContact CZ3-CD 4.11Å; W91-K94 WeakPolarHBondContact O-CA 3.36Å; W91-K94 WeakPolarHBondContact O-CB 3.34Å; W91-K94 PolarHBondContact O-N 3.15Å
95S97.9Very high96.9Very high29 Ų2946.5 Ų46.520%0.20326%0.26CS..EExtended strand (participates in β ladder)trans-77.6133.8175.4-57.80000111.5G58 L59 E133G58-S95 CarbonylContact C-O 3.57Å; G58-S95 WeakPolarHBondContact CA-O 3.39Å; L59-S95 PolarHBondContact N-O 3.34Å; S95-E133 WeakPolarHBondContact CB-OE1 3.33Å; S95-E133 PolarHBondContact OG-OE1 3.23Å
96I98.6Very high97Very high1 Ų140.6 Ų40.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-126.2101.7177.5-56.7175.2000107.6L59 F61 W91 V107 L112 P114 L115L59-I96 HydrophobicContact CB-CG1 4.43Å; L59-I96 HydrophobicContact CB-CG2 4.19Å; L59-I96 CarbonylContact O-C 3.51Å; L59-I96 WeakPolarHBondContact O-CA 3.33Å; F61-I96 HydrophobicContact CD2-CG2 4.41Å; F61-I96 HydrophobicContact CE2-CG2 4.49Å; W91-I96 HydrophobicContact CB-CD1 4.22Å; I96-V107 HydrophobicContact CG2-CG1 3.91Å; I96-L112 HydrophobicContact CD1-CB 3.76Å; I96-L112 HydrophobicContact CD1-CD1 4.17Å; I96-L112 HydrophobicContact CD1-CD2 3.76Å; I96-L112 HydrophobicContact CD1-CG 4.09Å; I96-P114 CarbonylContact O-C 3.46Å; I96-P114 VanDerWaalsContact O-CA 3.32Å; I96-P114 WeakPolarHBondContact O-CA 3.36Å; I96-L115 PolarHBondContact O-N 3Å
97Y98.5Very high97.1Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-91.9139.4-175.1-65.6-71.3000111.4L59 I60 F61 L115 L125 I129 E133 L140L59-Y97 PolarHBondContact O-N 3.31Å; I60-Y97 CarbonylContact C-O 3.24Å; I60-Y97 WeakPolarHBondContact CA-O 3.46Å; I60-Y97 HydrophobicContact CG1-CD2 4.32Å; F61-Y97 PolarHBondContact N-O 2.81Å; Y97-L115 CarbonylContact C-O 3.59Å; Y97-L115 WeakPolarHBondContact CA-O 3.41Å; Y97-L115 HydrophobicContact CD1-CB 4.2Å; Y97-L115 HydrophobicContact CE1-CB 4.39Å; Y97-L115 HydrophobicContact CE1-CD1 4.35Å; Y97-L125 HydrophobicContact CD1-CD1 4.12Å; Y97-I129 HydrophobicContact CD1-CD1 4.37Å; Y97-I129 HydrophobicContact CD1-CG1 3.75Å; Y97-I129 HydrophobicContact CD2-CD1 3.99Å; Y97-I129 HydrophobicContact CD2-CG1 3.8Å; Y97-I129 HydrophobicContact CE1-CG1 3.83Å; Y97-I129 HydrophobicContact CE2-CD1 4.49Å; Y97-I129 HydrophobicContact CE2-CG1 3.88Å; Y97-I129 HydrophobicContact CE2-CG2 4.47Å; Y97-I129 HydrophobicContact CG-CD1 3.91Å; Y97-I129 HydrophobicContact CG-CG1 3.73Å; Y97-E133 HydrophobicContact CE2-CG 4.15Å; Y97-E133 WeakPolarHBondContact CE2-OE1 3.41Å; Y97-E133 PolarHBondContact OH-OE1 3.23Å; Y97-L140 HydrophobicContact CE2-CD1 4.4Å
98V98Very high97.2Very high0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-134.8153176.7-54.30000112.3F61 T103 A104 V107 P114 L115 G116 E117F61-V98 HydrophobicContact CB-CG1 4.3Å; F61-V98 CarbonylContact O-C 3.58Å; F61-V98 WeakPolarHBondContact O-CA 3.35Å; V98-T103 HydrophobicContact CB-CG2 4.4Å; V98-A104 HydrophobicContact CG2-CB 3.75Å; V98-V107 HydrophobicContact CG1-CB 4.29Å; V98-V107 HydrophobicContact CG1-CG1 4.44Å; V98-V107 HydrophobicContact CG1-CG2 3.81Å; V98-P114 HydrophobicContact CB-CB 4.29Å; V98-P114 HydrophobicContact CG1-CB 3.53Å; V98-P114 HydrophobicContact CG2-CB 3.71Å; V98-L115 PolarHBondContact N-O 3.08Å; V98-G116 CarbonylContact O-C 3.5Å; V98-G116 VanDerWaalsContact O-C 3.24Å; V98-E117 HydrophobicContact CG2-CB 3.92Å
99V95.4Very high97.2Very high19 Ų1944 Ų4412%0.11526%0.256CS..SBendtrans-106.4121.3164179.70000109.3F61 T62 T103 L125F61-V99 PolarHBondContact O-N 3.16Å; T62-V99 HydrophobicContact CG2-CG2 3.85Å; V99-T103 VanDerWaalsContact O-CB 3.29Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 PolarHBondContact O-OG1 2.83Å; V99-L125 HydrophobicContact CG2-CB 4.15Å; V99-L125 HydrophobicContact CG2-CD2 3.46Å; V99-L125 VanDerWaalsContact CG2-CD2 3.46Å; V99-L125 HydrophobicContact CG2-CG 4.39Å
100G92.9Very high97.1Very high21 Ų2140 Ų4022%0.21623%0.234CC..SBendtrans81.8148170.300000114.7A102 T103 A104 E117G100-A102 VanDerWaalsContact C-N 3.31Å; G100-A102 PolarHBondContact O-N 3.31Å; G100-T103 PolarHBondContact O-N 2.73Å; G100-A104 PolarHBondContact O-N 3.37Å; G100-E117 VanDerWaalsContact CA-O 3.31Å; G100-E117 WeakPolarHBondContact CA-O 3.01Å; G100-E117 PolarHBondContact N-O 3.4Å
101K94Very high97.1Very high137 Ų13736.9 Ų36.960%0.59623%0.23SC*.Hα-helixtrans-61.4-34.8-176.6-62.6-175.2177.3-1760113.6A104 A105 D118K101-A104 PolarHBondContact O-N 3.16Å; K101-A105 WeakPolarHBondContact O-CB 3.2Å; K101-A105 PolarHBondContact O-N 3.3Å; K101-D118 WeakPolarHBondContact CE-OD1 3.23Å; K101-D118 IonicContact NZ-OD1 3.82Å
102A94.1Very high97.1Very high68 Ų6837.1 Ų37.156%0.56223%0.232SC*.Hα-helixtrans-62.1-45.4176.900000111.9G100 L106G100-A102 VanDerWaalsContact C-N 3.31Å; G100-A102 PolarHBondContact O-N 3.31Å; A102-L106 PolarHBondContact O-N 2.97Å
103T95.8Very high97.1Very high5 Ų542.6 Ų42.63%0.03125%0.254CS..Hα-helixtrans-65.7-43.2175.6-44.70000110.8F61 P64 V67 V98 V99 G100 A105 L106 V107F61-T103 HydrophobicContact CB-CG2 3.77Å; P64-T103 WeakPolarHBondContact CD-OG1 3.43Å; V67-T103 HydrophobicContact CG2-CG2 3.71Å; V98-T103 HydrophobicContact CB-CG2 4.4Å; V99-T103 VanDerWaalsContact O-CB 3.29Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 PolarHBondContact O-OG1 2.83Å; G100-T103 PolarHBondContact O-N 2.73Å; T103-A105 PolarHBondContact O-N 3.49Å; T103-L106 PolarHBondContact O-N 2.86Å; T103-V107 WeakPolarHBondContact O-CG2 3.5Å; T103-V107 PolarHBondContact O-N 2.97Å
104A97.8Very high97.1Very high0 Ų039 Ų390%023%0.227CC..Hα-helixtrans-58.1-46.4178.800000112.5V98 G100 K101 L106 V107 Q108 P114 E117V98-A104 HydrophobicContact CG2-CB 3.75Å; G100-A104 PolarHBondContact O-N 3.37Å; K101-A104 PolarHBondContact O-N 3.16Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.28Å; A104-V107 PolarHBondContact O-N 3.43Å; A104-V107 VanDerWaalsContact O-N 3.13Å; A104-Q108 WeakPolarHBondContact O-CG 3.28Å; A104-Q108 PolarHBondContact O-N 3.46Å; A104-P114 HydrophobicContact CB-CB 4.39Å; A104-P114 HydrophobicContact CB-CG 4.06Å; A104-E117 HydrophobicContact CB-CB 3.64Å; A104-E117 WeakPolarHBondContact CB-OE2 3.42Å
105A97.8Very high97.1Very high53 Ų5339.3 Ų39.344%0.43823%0.232SC..Hα-helixtrans-58.9-40.3177.200000112.1K101 T103 Q108 S109K101-A105 WeakPolarHBondContact O-CB 3.2Å; K101-A105 PolarHBondContact O-N 3.3Å; T103-A105 PolarHBondContact O-N 3.49Å; A105-Q108 PolarHBondContact O-N 3.42Å; A105-S109 PolarHBondContact O-N 3.27Å
106L97.9Very high96.9Very high43 Ų4338.8 Ų38.823%0.22523%0.231CC..Hα-helixtrans-68.1-40.5175.5-68.1172.1000112.1P64 V67 A102 T103 A104 Q108 S109 L110P64-L106 HydrophobicContact CB-CD1 3.51Å; P64-L106 HydrophobicContact CG-CD1 4.32Å; V67-L106 HydrophobicContact CB-CB 4.03Å; V67-L106 HydrophobicContact CG1-CB 3.69Å; V67-L106 HydrophobicContact CG2-CB 4.39Å; A102-L106 PolarHBondContact O-N 2.97Å; T103-L106 PolarHBondContact O-N 2.86Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.28Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-S109 WeakPolarHBondContact O-CB 3.45Å; L106-S109 PolarHBondContact O-N 3.28Å; L106-S109 PolarHBondContact O-OG 3.24Å; L106-L110 PolarHBondContact O-N 3.35Å
107V98.2Very high96.7Very high0 Ų041.9 Ų41.90%025%0.245CC..Hα-helixtrans-63-42.1175.41710000110.7F61 V67 I96 V98 T103 A104 S109 L110 L112 P114F61-V107 HydrophobicContact CB-CG2 4.38Å; F61-V107 HydrophobicContact CD2-CG2 3.81Å; F61-V107 HydrophobicContact CE2-CG2 4.37Å; F61-V107 HydrophobicContact CG-CG2 4.2Å; V67-V107 HydrophobicContact CG1-CG2 4.01Å; V67-V107 HydrophobicContact CG2-CG2 3.66Å; I96-V107 HydrophobicContact CG2-CG1 3.91Å; V98-V107 HydrophobicContact CG1-CB 4.29Å; V98-V107 HydrophobicContact CG1-CG1 4.44Å; V98-V107 HydrophobicContact CG1-CG2 3.81Å; T103-V107 WeakPolarHBondContact O-CG2 3.5Å; T103-V107 PolarHBondContact O-N 2.97Å; A104-V107 PolarHBondContact O-N 3.43Å; A104-V107 VanDerWaalsContact O-N 3.13Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 2.82Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.04Å; V107-L112 HydrophobicContact CG1-CB 3.55Å; V107-L112 HydrophobicContact CG1-CD1 4.23Å; V107-L112 PolarHBondContact O-N 3.02Å; V107-P114 HydrophobicContact CB-CB 4.39Å; V107-P114 HydrophobicContact CG1-CB 4Å; V107-P114 HydrophobicContact CG1-CG 4.33Å
108Q98.4Very high96.5Very high103 Ų10347.5 Ų47.548%0.48128%0.275SS..Hα-helixtrans-61.4-36.9173.8-71.6167.4-6.800112.1A104 A105 L106 L110 G111 L112 P114A104-Q108 WeakPolarHBondContact O-CG 3.28Å; A104-Q108 PolarHBondContact O-N 3.46Å; A105-Q108 PolarHBondContact O-N 3.42Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 3.48Å; Q108-G111 WeakPolarHBondContact O-CA 3Å; Q108-G111 PolarHBondContact O-N 3.26Å; Q108-L112 WeakPolarHBondContact CA-O 3.46Å; Q108-P114 HydrophobicContact CG-CG 3.79Å
109S97.1Very high96.1Very high66 Ų6648.4 Ų48.446%0.46228%0.281SS..Hα-helixtrans-63.5-19.8174.9820000113.8K71 A105 L106 V107 G111K71-S109 WeakPolarHBondContact CE-OG 3.34Å; K71-S109 PolarHBondContact NZ-OG 3.35Å; A105-S109 PolarHBondContact O-N 3.27Å; L106-S109 WeakPolarHBondContact O-CB 3.45Å; L106-S109 PolarHBondContact O-N 3.28Å; L106-S109 PolarHBondContact O-OG 3.24Å; V107-S109 VanDerWaalsContact C-N 3.3Å; V107-S109 PolarHBondContact O-N 2.82Å; S109-G111 VanDerWaalsContact C-N 3.28Å
110L96.9Very high95.7Very high2 Ų250 Ų501%0.0130%0.301CS..THydrogen-bonded Turntrans-83.7-4.9171.4-61.9173.9000113V67 V70 K71 L74 W83 L106 V107 Q108 L112V67-L110 HydrophobicContact CG1-CD1 3.5Å; V67-L110 VanDerWaalsContact CG1-CD1 3.5Å; V67-L110 HydrophobicContact CG1-CG 4.26Å; V70-L110 HydrophobicContact CB-CD1 3.87Å; V70-L110 HydrophobicContact CG1-CD1 3.62Å; V70-L110 HydrophobicContact CG1-CD2 4.2Å; V70-L110 HydrophobicContact CG2-CD1 4.42Å; K71-L110 HydrophobicContact CG-CD2 3.68Å; L74-L110 HydrophobicContact CD1-CD2 4.09Å; W83-L110 HydrophobicContact CZ2-CB 4.42Å; W83-L110 PolarHBondContact NE1-O 3.35Å; W83-L110 VanDerWaalsContact NE1-O 3.11Å; L106-L110 PolarHBondContact O-N 3.35Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.04Å; Q108-L110 PolarHBondContact O-N 3.48Å; L110-L112 HydrophobicContact CB-CD1 4.34Å; L110-L112 HydrophobicContact CB-CG 4.23Å; L110-L112 HydrophobicContact CD1-CD1 4.42Å
111G97.5Very high95.5Very high34 Ų3452.3 Ų52.335%0.35131%0.311SS..THydrogen-bonded Turntrans78.519.5-17400000113.8K88 N92 Q108 S109K88-G111 WeakPolarHBondContact CD-O 3.26Å; K88-G111 WeakPolarHBondContact CG-O 3.33Å; N92-G111 PolarHBondContact ND2-O 3.45Å; Q108-G111 WeakPolarHBondContact O-CA 3Å; Q108-G111 PolarHBondContact O-N 3.26Å; S109-G111 VanDerWaalsContact C-N 3.28Å
112L98.3Very high95.3Very high5 Ų547.3 Ų47.33%0.02630%0.295CS..  trans-93.6155.5175.4-63.1178000111.1L59 W83 K88 W91 N92 I96 V107 Q108 L110 P114L59-L112 HydrophobicContact CD1-CD1 4.4Å; W83-L112 HydrophobicContact CH2-CD1 4Å; W83-L112 HydrophobicContact CH2-CD2 4.02Å; W83-L112 HydrophobicContact CH2-CG 4.34Å; W83-L112 HydrophobicContact CZ2-CD1 3.9Å; W83-L112 HydrophobicContact CZ2-CD2 3.74Å; W83-L112 HydrophobicContact CZ2-CG 3.86Å; K88-L112 HydrophobicContact CG-CD2 4.06Å; W91-L112 HydrophobicContact CB-CD2 3.77Å; N92-L112 VanDerWaalsContact OD1-CA 3.28Å; N92-L112 WeakPolarHBondContact OD1-CA 3.38Å; I96-L112 HydrophobicContact CD1-CB 3.76Å; I96-L112 HydrophobicContact CD1-CD1 4.17Å; I96-L112 HydrophobicContact CD1-CD2 3.76Å; I96-L112 HydrophobicContact CD1-CG 4.09Å; V107-L112 HydrophobicContact CG1-CB 3.55Å; V107-L112 HydrophobicContact CG1-CD1 4.23Å; V107-L112 PolarHBondContact O-N 3.02Å; Q108-L112 WeakPolarHBondContact CA-O 3.46Å; L110-L112 HydrophobicContact CB-CD1 4.34Å; L110-L112 HydrophobicContact CB-CG 4.23Å; L110-L112 HydrophobicContact CD1-CD1 4.42Å; L112-P114 VanDerWaalsContact O-CD 3.29Å; L112-P114 WeakPolarHBondContact O-CD 3.43Å
113K98.2Very high95.2Very high151 Ų15147.1 Ų47.166%0.65729%0.285SS*.  trans-106.696.1-178.2-64.7177.7-176.4177.80111.2N92N92-K113 PolarHBondContact OD1-N 2.69Å
114P97.9Very high95.2Very high22 Ų2249.9 Ų49.914%0.14330%0.302CS..  trans-76.1154.8-176.431.4-35.9000113.3I96 V98 A104 V107 Q108 L112I96-P114 CarbonylContact O-C 3.46Å; I96-P114 VanDerWaalsContact O-CA 3.32Å; I96-P114 WeakPolarHBondContact O-CA 3.36Å; V98-P114 HydrophobicContact CB-CB 4.29Å; V98-P114 HydrophobicContact CG1-CB 3.53Å; V98-P114 HydrophobicContact CG2-CB 3.71Å; A104-P114 HydrophobicContact CB-CB 4.39Å; A104-P114 HydrophobicContact CB-CG 4.06Å; V107-P114 HydrophobicContact CB-CB 4.39Å; V107-P114 HydrophobicContact CG1-CB 4Å; V107-P114 HydrophobicContact CG1-CG 4.33Å; Q108-P114 HydrophobicContact CG-CG 3.79Å; L112-P114 VanDerWaalsContact O-CD 3.29Å; L112-P114 WeakPolarHBondContact O-CD 3.43Å
115L97.5Very high95.1Very high66 Ų6649.9 Ų49.935%0.34630%0.302SS..BIsolated β-bridgetrans-125.6148.1171.7-59.4175.3000109.7I96 Y97 V98I96-L115 PolarHBondContact O-N 3Å; Y97-L115 CarbonylContact C-O 3.59Å; Y97-L115 WeakPolarHBondContact CA-O 3.41Å; Y97-L115 HydrophobicContact CD1-CB 4.2Å; Y97-L115 HydrophobicContact CE1-CB 4.39Å; Y97-L115 HydrophobicContact CE1-CD1 4.35Å; V98-L115 PolarHBondContact N-O 3.08Å
116G95Very high95Very high18 Ų1847.5 Ų47.519%0.18628%0.282CS..  trans86.213172.200000115.7V98 D118 T119V98-G116 CarbonylContact O-C 3.5Å; V98-G116 VanDerWaalsContact O-C 3.24Å; G116-D118 PolarHBondContact O-N 3.16Å; G116-D118 VanDerWaalsContact O-N 3.11Å; G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.33Å; G116-T119 WeakPolarHBondContact O-CG2 3.41Å; G116-T119 PolarHBondContact O-N 2.9Å; G116-T119 PolarHBondContact O-OG1 3.38Å
117E94.4Very high95Very high66 Ų6652.3 Ų52.331%0.30830%0.297SS..G310 helixtrans-56.6-29.3179.866.2-175.6173.600114.3V98 G100 A104V98-E117 HydrophobicContact CG2-CB 3.92Å; G100-E117 VanDerWaalsContact CA-O 3.31Å; G100-E117 WeakPolarHBondContact CA-O 3.01Å; G100-E117 PolarHBondContact N-O 3.4Å; A104-E117 HydrophobicContact CB-CB 3.64Å; A104-E117 WeakPolarHBondContact CB-OE2 3.42Å
118D94.1Very high94.9Very high118 Ų11854 Ų5463%0.63131%0.306SS*.G310 helixtrans-87.9-0.7178.1-63.7-49.9000114.1K101 G116 G120K101-D118 WeakPolarHBondContact CE-OD1 3.23Å; K101-D118 IonicContact NZ-OD1 3.82Å; G116-D118 PolarHBondContact O-N 3.16Å; G116-D118 VanDerWaalsContact O-N 3.11Å; D118-G120 PolarHBondContact O-N 3.01Å
119T89.9Confident94.9Very high20 Ų2049 Ų4912%0.12328%0.283CS..G310 helixtrans-65.7-27.817858.50000112.5G116 T121 V124 L125 L128G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.33Å; G116-T119 WeakPolarHBondContact O-CG2 3.41Å; G116-T119 PolarHBondContact O-N 2.9Å; G116-T119 PolarHBondContact O-OG1 3.38Å; T119-T121 PolarHBondContact O-N 3.2Å; T119-V124 HydrophobicContact CG2-CG1 4.04Å; T119-V124 WeakPolarHBondContact O-CB 3.48Å; T119-L125 HydrophobicContact CG2-CB 4.28Å; T119-L125 HydrophobicContact CG2-CD1 4.02Å; T119-L128 HydrophobicContact CG2-CD2 4.02Å
120G85.5Confident94.9Very high52 Ų5248.2 Ų48.254%0.53627%0.273SS..  trans68.3-26.3176.800000115.9D118D118-G120 PolarHBondContact O-N 3.01Å
121T89.4Confident94.9Very high69 Ų6955.7 Ų55.742%0.42331%0.307SS..SBendtrans-141.4157.6-176.969.30000112.2T119 D123 V124 L125T119-T121 PolarHBondContact O-N 3.2Å; T121-D123 PolarHBondContact O-N 2.91Å; T121-V124 PolarHBondContact O-N 2.97Å; T121-V124 WeakPolarHBondContact OG1-CG2 3.48Å; T121-V124 PolarHBondContact OG1-N 3.07Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 PolarHBondContact O-N 2.64Å; T121-L125 VanDerWaalsContact O-N 3.07Å
122A89.7Confident94.8Very high32 Ų3261.6 Ų61.626%0.26432%0.319SS..Hα-helixtrans-64.4-26.817600000113.4S126 L152A122-S126 PolarHBondContact O-N 2.73Å; A122-L152 HydrophobicContact CB-CB 4.12Å
123D92.5Very high94.7Very high64 Ų6462.8 Ų62.834%0.34233%0.325SS..Hα-helixtrans-70.8-47176.8-179-95.6000111.9T121 L125 S126 R127 V151T121-D123 PolarHBondContact O-N 2.91Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 3.35Å; D123-S126 PolarHBondContact O-N 2.99Å; D123-S126 PolarHBondContact O-OG 2.87Å; D123-R127 PolarHBondContact O-N 2.95Å; D123-R127 IonicContact OD1-CZ 3.93Å; D123-R127 IonicContact OD1-NE 3.35Å; D123-R127 PolarHBondContact OD1-NE 3.37Å; D123-R127 IonicContact OD1-NH2 3.29Å; D123-R127 PolarHBondContact OD1-NH2 3.47Å; D123-V151 HydrophobicContact CB-CG1 3.98Å
124V95.1Very high94.4Very high64 Ų6460.5 Ų60.539%0.38832%0.32SS..Hα-helixtrans-68.3-36.8177.8179.10000110.2T119 T121 R127 L128T119-V124 HydrophobicContact CG2-CG1 4.04Å; T119-V124 WeakPolarHBondContact O-CB 3.48Å; T121-V124 PolarHBondContact O-N 2.97Å; T121-V124 WeakPolarHBondContact OG1-CG2 3.48Å; T121-V124 PolarHBondContact OG1-N 3.07Å; V124-R127 PolarHBondContact O-N 3.11Å; V124-L128 PolarHBondContact O-N 2.7Å
125L96.1Very high94.2Very high0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-64.1-39.2175.4-175.264.2000112.6I60 Y97 V99 T119 T121 D123 R127 L128 I129 L152I60-L125 HydrophobicContact CG2-CD2 4.28Å; Y97-L125 HydrophobicContact CD1-CD1 4.12Å; V99-L125 HydrophobicContact CG2-CB 4.15Å; V99-L125 HydrophobicContact CG2-CD2 3.46Å; V99-L125 VanDerWaalsContact CG2-CD2 3.46Å; V99-L125 HydrophobicContact CG2-CG 4.39Å; T119-L125 HydrophobicContact CG2-CB 4.28Å; T119-L125 HydrophobicContact CG2-CD1 4.02Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 PolarHBondContact O-N 2.64Å; T121-L125 VanDerWaalsContact O-N 3.07Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 3.35Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 3.32Å; L125-L128 HydrophobicContact CD1-CD2 4.21Å; L125-L128 WeakPolarHBondContact O-CB 3.28Å; L125-L128 PolarHBondContact O-N 3.24Å; L125-I129 HydrophobicContact CD2-CD1 4.46Å; L125-I129 HydrophobicContact CG-CD1 4Å; L125-I129 HydrophobicContact CG-CG1 4.46Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 2.91Å; L125-L152 HydrophobicContact CD2-CD1 3.95Å; L125-L152 HydrophobicContact CG-CD1 4.33Å
126S95.9Very high94.1Very high3 Ų367.1 Ų67.12%0.02136%0.357CS..Hα-helixtrans-63.1-40.1-179.965.30000111.6A122 D123 L128 I129 I130A122-S126 PolarHBondContact O-N 2.73Å; D123-S126 PolarHBondContact O-N 2.99Å; D123-S126 PolarHBondContact O-OG 2.87Å; S126-L128 PolarHBondContact O-N 2.96Å; S126-I129 PolarHBondContact O-N 2.91Å; S126-I130 WeakPolarHBondContact O-CD1 3.46Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 3.23Å
127R96.7Very high94.1Very high143 Ų14368 Ų6854%0.5436%0.357SS..Hα-helixtrans-60.2-45.8174.9-60178.9-156.2-166.53.1111.9D123 V124 L125 I129 I130 E131D123-R127 PolarHBondContact O-N 2.95Å; D123-R127 IonicContact OD1-CZ 3.93Å; D123-R127 IonicContact OD1-NE 3.35Å; D123-R127 PolarHBondContact OD1-NE 3.37Å; D123-R127 IonicContact OD1-NH2 3.29Å; D123-R127 PolarHBondContact OD1-NH2 3.47Å; V124-R127 PolarHBondContact O-N 3.11Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 3.32Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 3.17Å; R127-I130 PolarHBondContact O-N 2.97Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3.39Å
128L96.9Very high94.3Very high35 Ų3567.7 Ų67.718%0.18336%0.361CS..Hα-helixtrans-58.5-40.5176.4179.765.3000112.3T119 V124 L125 S126 R132T119-L128 HydrophobicContact CG2-CD2 4.02Å; V124-L128 PolarHBondContact O-N 2.7Å; L125-L128 HydrophobicContact CD1-CD2 4.21Å; L125-L128 WeakPolarHBondContact O-CB 3.28Å; L125-L128 PolarHBondContact O-N 3.24Å; S126-L128 PolarHBondContact O-N 2.96Å; L128-R132 HydrophobicContact CD1-CG 4.38Å; L128-R132 WeakPolarHBondContact O-CB 3.31Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.45Å; L128-R132 PolarHBondContact O-N 3.25Å
129I97.6Very high94.5Very high0 Ų064 Ų640%034%0.343CS..Hα-helixtrans-67.2-47.4178-67.7169.6000110.1I60 Y97 L125 S126 R127 E131 R132 E133 L140 L152 L156 V161I60-I129 HydrophobicContact CD1-CD1 3.82Å; I60-I129 HydrophobicContact CG1-CD1 4.36Å; Y97-I129 HydrophobicContact CD1-CD1 4.37Å; Y97-I129 HydrophobicContact CD1-CG1 3.75Å; Y97-I129 HydrophobicContact CD2-CD1 3.99Å; Y97-I129 HydrophobicContact CD2-CG1 3.8Å; Y97-I129 HydrophobicContact CE1-CG1 3.83Å; Y97-I129 HydrophobicContact CE2-CD1 4.49Å; Y97-I129 HydrophobicContact CE2-CG1 3.88Å; Y97-I129 HydrophobicContact CE2-CG2 4.47Å; Y97-I129 HydrophobicContact CG-CD1 3.91Å; Y97-I129 HydrophobicContact CG-CG1 3.73Å; L125-I129 HydrophobicContact CD2-CD1 4.46Å; L125-I129 HydrophobicContact CG-CD1 4Å; L125-I129 HydrophobicContact CG-CG1 4.46Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 2.91Å; S126-I129 PolarHBondContact O-N 2.91Å; R127-I129 VanDerWaalsContact C-N 3.28Å; R127-I129 PolarHBondContact O-N 3.17Å; I129-E131 VanDerWaalsContact C-N 3.26Å; I129-E131 PolarHBondContact O-N 3.14Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.09Å; I129-E133 HydrophobicContact CG2-CB 4.42Å; I129-E133 HydrophobicContact CG2-CG 3.93Å; I129-E133 WeakPolarHBondContact O-CB 3.3Å; I129-E133 PolarHBondContact O-N 3.28Å; I129-L140 HydrophobicContact CG2-CD1 3.51Å; I129-L152 HydrophobicContact CD1-CD1 4.46Å; I129-L156 HydrophobicContact CB-CD2 3.93Å; I129-L156 HydrophobicContact CD1-CD1 4.35Å; I129-L156 HydrophobicContact CG2-CD1 4.28Å; I129-L156 HydrophobicContact CG2-CD2 3.58Å; I129-V161 HydrophobicContact CG2-CG1 4.18Å
130I97.6Very high94.9Very high49 Ų4963 Ų6325%0.25134%0.338SS..Hα-helixtrans-60.4-36.7-179.6-67.2159000111.6S126 R127 R132 L156 N159 V161S126-I130 WeakPolarHBondContact O-CD1 3.46Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 3.23Å; R127-I130 PolarHBondContact O-N 2.97Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-L156 HydrophobicContact CD1-CD2 4.35Å; I130-L156 HydrophobicContact CG1-CD2 3.85Å; I130-N159 HydrophobicContact CD1-CB 3.94Å; I130-N159 WeakPolarHBondContact CD1-ND2 3.26Å; I130-N159 HydrophobicContact CG1-CB 3.88Å; I130-N159 HydrophobicContact CG2-CB 3.96Å; I130-V161 HydrophobicContact CG1-CG2 4.33Å
131E96.6Very high95.5Very high158 Ų15860.6 Ų60.674%0.73831%0.312SS*.Hα-helixtrans-72.5-23.9177.7-73.6173.1-174.800113.7R127 I129R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3.39Å; I129-E131 VanDerWaalsContact C-N 3.26Å; I129-E131 PolarHBondContact O-N 3.14Å
132R96.1Very high95.9Very high158 Ų15857.9 Ų57.960%0.59629%0.294SS*.Hα-helixtrans-105.8-35.3-170.9-71-176109.2110.12.6114.4L128 I129 I130L128-R132 HydrophobicContact CD1-CG 4.38Å; L128-R132 WeakPolarHBondContact O-CB 3.31Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.45Å; L128-R132 PolarHBondContact O-N 3.25Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.09Å; I130-R132 VanDerWaalsContact C-N 3.33Å
133E96.1Very high96.2Very high31 Ų3156.3 Ų56.315%0.14528%0.282CS..SBendtrans-93.4141.5-173-62.9-61.4158.700111.2S95 Y97 I129 I137 L140S95-E133 WeakPolarHBondContact CB-OE1 3.33Å; S95-E133 PolarHBondContact OG-OE1 3.23Å; Y97-E133 HydrophobicContact CE2-CG 4.15Å; Y97-E133 WeakPolarHBondContact CE2-OE1 3.41Å; Y97-E133 PolarHBondContact OH-OE1 3.23Å; I129-E133 HydrophobicContact CG2-CB 4.42Å; I129-E133 HydrophobicContact CG2-CG 3.93Å; I129-E133 WeakPolarHBondContact O-CB 3.3Å; I129-E133 PolarHBondContact O-N 3.28Å; E133-I137 HydrophobicContact CB-CD1 3.99Å; E133-I137 HydrophobicContact CG-CD1 4.35Å; E133-L140 HydrophobicContact CG-CD1 4.32Å
134D92.1Very high96.2Very high102 Ų10253.5 Ų53.555%0.54527%0.267SS..  trans-74.8157.9168.2-158.8-38.2000109.5D136 I137D134-D136 PolarHBondContact OD1-N 3.48Å; D134-I137 HydrophobicContact CB-CG2 3.99Å; D134-I137 WeakPolarHBondContact O-CG1 3.32Å
135T93.9Very high96Very high79 Ų7950.8 Ų50.849%0.48525%0.252SS..SBendtrans-78.2-22.4170.959.10000112.4I137 P162T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.49Å; T135-P162 WeakPolarHBondContact O-CD 3.34Å; T135-P162 WeakPolarHBondContact O-CG 3.12Å
136D95.1Very high95.3Very high149 Ų14953.5 Ų53.580%0.79727%0.271SS*.SBendtrans-93.655.4176.3-165.927.3000112.4D134D134-D136 PolarHBondContact OD1-N 3.48Å
137I95.4Very high94Very high36 Ų3659.1 Ų59.119%0.18530%0.3CS..SBendtrans-122.2158.3175.464.6173.7000111.2E133 D134 T135 L140E133-I137 HydrophobicContact CB-CD1 3.99Å; E133-I137 HydrophobicContact CG-CD1 4.35Å; D134-I137 HydrophobicContact CB-CG2 3.99Å; D134-I137 WeakPolarHBondContact O-CG1 3.32Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.49Å; I137-L140 HydrophobicContact CD1-CD2 4.1Å; I137-L140 HydrophobicContact CD1-CG 4.33Å
138P97.7Very high92.4Very high60 Ų6055.7 Ų55.739%0.3929%0.288SS..PPolyproline II helixtrans-59.1152.8163.9-16.529.5000110.4G57 L140G57-P138 WeakPolarHBondContact CA-O 3.38Å; G57-P138 PolarHBondContact N-O 2.89Å; P138-L140 PolarHBondContact O-N 3.22Å
139P98.1Very high90.8Very high40 Ų4064.5 Ų64.526%0.2632%0.319SS..PPolyproline II helixtrans-58.4138.5-173.123.9-34.4000113.1H56 G57 F141 P162 E164H56-P139 CarbonylContact C-O 3.57Å; H56-P139 WeakPolarHBondContact CA-O 3.05Å; H56-P139 WeakPolarHBondContact CB-O 3.28Å; G57-P139 PolarHBondContact N-O 3.14Å; P139-F141 PolarHBondContact O-N 2.94Å; P139-P162 WeakPolarHBondContact CA-O 3.47Å; P139-P162 HydrophobicContact CB-CB 4.24Å; P139-E164 HydrophobicContact CB-CB 4.01Å; P139-E164 HydrophobicContact CG-CB 4.33Å
140L98.4Very high89.7Confident0 Ų069 Ų690%034%0.34CS..EExtended strand (participates in β ladder)trans-64.2132.8164.3-61.3-178.5000108.4I60 Y97 I129 E133 I137 P138 L156 V161 P162 L163 E164I60-L140 HydrophobicContact CD1-CB 3.99Å; I60-L140 HydrophobicContact CD1-CD1 3.95Å; I60-L140 HydrophobicContact CG1-CB 4.3Å; I60-L140 HydrophobicContact CG1-CD1 4.49Å; Y97-L140 HydrophobicContact CE2-CD1 4.4Å; I129-L140 HydrophobicContact CG2-CD1 3.51Å; E133-L140 HydrophobicContact CG-CD1 4.32Å; I137-L140 HydrophobicContact CD1-CD2 4.1Å; I137-L140 HydrophobicContact CD1-CG 4.33Å; P138-L140 PolarHBondContact O-N 3.22Å; L140-L156 HydrophobicContact CD1-CD1 4.48Å; L140-V161 HydrophobicContact CD1-CG1 3.96Å; L140-V161 HydrophobicContact CG-CG1 4.48Å; L140-P162 PolarHBondContact N-O 3.05Å; L140-L163 HydrophobicContact CB-CD1 4.03Å; L140-E164 PolarHBondContact O-N 3.22Å
141F98.4Very high89.2Confident0 Ų069.7 Ų69.70%035%0.346CS..EExtended strand (participates in β ladder)trans-95.5120.7-179.8-173.5-139.6000111.1F46 K49 H56 G58 L59 I60 P139 P143 E164 L166F46-F141 AromaticContact CD2-CE1 3.5Å; F46-F141 HydrophobicContact CD2-CE1 3.5Å; F46-F141 AromaticContact CD2-CZ 3.7Å; F46-F141 HydrophobicContact CD2-CZ 3.7Å; F46-F141 HydrophobicContact CE2-CD1 4.37Å; F46-F141 AromaticContact CE2-CE1 3.48Å; F46-F141 HydrophobicContact CE2-CE1 3.48Å; F46-F141 VanDerWaalsContact CE2-CE1 3.48Å; F46-F141 HydrophobicContact CE2-CZ 4.04Å; K49-F141 HydrophobicContact CB-CD1 4.47Å; K49-F141 HydrophobicContact CB-CE1 3.75Å; K49-F141 HydrophobicContact CB-CZ 3.8Å; K49-F141 HydrophobicContact CD-CD2 4.47Å; K49-F141 HydrophobicContact CD-CE1 4.36Å; K49-F141 HydrophobicContact CD-CE2 3.65Å; K49-F141 HydrophobicContact CD-CZ 3.58Å; K49-F141 HydrophobicContact CG-CZ 4.34Å; H56-F141 HydrophobicContact CB-CB 4.3Å; H56-F141 AromaticContact CD2-CG 4Å; G58-F141 PolarHBondContact O-N 3.41Å; L59-F141 CarbonylContact C-O 3.57Å; L59-F141 WeakPolarHBondContact CA-O 3.22Å; L59-F141 HydrophobicContact CD2-CB 4.13Å; L59-F141 HydrophobicContact CD2-CD1 3.8Å; L59-F141 HydrophobicContact CD2-CG 4.41Å; I60-F141 PolarHBondContact N-O 3.37Å; P139-F141 PolarHBondContact O-N 2.94Å; F141-P143 VanDerWaalsContact O-CD 3.26Å; F141-P143 WeakPolarHBondContact O-CD 3.2Å; F141-E164 HydrophobicContact CD2-CB 4.34Å; F141-E164 HydrophobicContact CD2-CG 4.18Å; F141-E164 HydrophobicContact CE2-CG 4.44Å; F141-L166 HydrophobicContact CE2-CB 3.64Å; F141-L166 HydrophobicContact CE2-CD2 4.39Å; F141-L166 HydrophobicContact CZ-CB 3.87Å; F141-L166 HydrophobicContact CZ-CD2 3.86Å
142F97.4Very high89Confident12 Ų1262.2 Ų62.25%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-117.886.6-175.2-178.5-151.7000111.9I60 T62 C144 L152 P153 L163 E164 T165 L166I60-F142 HydrophobicContact CB-CB 4.16Å; I60-F142 HydrophobicContact CB-CD2 3.82Å; I60-F142 HydrophobicContact CB-CG 4.19Å; I60-F142 HydrophobicContact CD1-CB 4.47Å; I60-F142 HydrophobicContact CG2-CD2 3.81Å; I60-F142 HydrophobicContact CG2-CE2 4.09Å; I60-F142 HydrophobicContact CG2-CG 4.36Å; I60-F142 WeakPolarHBondContact O-CD2 3.37Å; T62-F142 HydrophobicContact CG2-CE2 3.62Å; T62-F142 HydrophobicContact CG2-CZ 3.75Å; F142-C144 HydrophobicContact CD1-CB 4.27Å; F142-C144 HydrophobicContact CD2-CB 4.06Å; F142-C144 HydrophobicContact CE1-CB 3.91Å; F142-C144 HydrophobicContact CE2-CB 3.68Å; F142-C144 HydrophobicContact CG-CB 4.35Å; F142-C144 HydrophobicContact CZ-CB 3.61Å; F142-C144 PolarHBondContact O-N 3.33Å; F142-L152 HydrophobicContact CD1-CD2 4.03Å; F142-L152 HydrophobicContact CE1-CD2 3.99Å; F142-P153 HydrophobicContact CD1-CG 4.34Å; F142-P153 HydrophobicContact CE1-CG 4.06Å; F142-L163 HydrophobicContact CB-CD1 3.83Å; F142-E164 PolarHBondContact N-O 2.83Å; F142-T165 HydrophobicContact CB-CG2 4.34Å; F142-T165 HydrophobicContact CD1-CG2 3.96Å; F142-T165 WeakPolarHBondContact O-CA 3.27Å; F142-L166 PolarHBondContact O-N 3.26Å
143P96.3Very high88.8Confident0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-66.5119.116627.6-34.4000110.5F46 I60 F61 A66 F141 L166 V168F46-P143 HydrophobicContact CD2-CB 4.28Å; F46-P143 HydrophobicContact CE2-CB 3.56Å; F46-P143 HydrophobicContact CE2-CG 3.81Å; F46-P143 HydrophobicContact CZ-CB 3.68Å; F46-P143 HydrophobicContact CZ-CG 3.87Å; I60-P143 WeakPolarHBondContact O-CD 3.45Å; F61-P143 HydrophobicContact CD1-CG 3.85Å; F61-P143 HydrophobicContact CE1-CG 3.43Å; F61-P143 VanDerWaalsContact CE1-CG 3.43Å; F61-P143 HydrophobicContact CZ-CG 4.1Å; A66-P143 HydrophobicContact CB-CB 4.33Å; A66-P143 HydrophobicContact CB-CG 4.44Å; A66-P143 VanDerWaalsContact CB-O 3.31Å; A66-P143 WeakPolarHBondContact CB-O 3.45Å; F141-P143 VanDerWaalsContact O-CD 3.26Å; F141-P143 WeakPolarHBondContact O-CD 3.2Å; P143-L166 CarbonylContact C-O 3.53Å; P143-L166 WeakPolarHBondContact CA-O 3.48Å; P143-V168 HydrophobicContact CB-CB 4.43Å; P143-V168 HydrophobicContact CB-CG1 3.71Å; P143-V168 HydrophobicContact CB-CG2 3.81Å
144C93.1Very high88.7Confident4 Ų455.3 Ų55.33%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-140.1173.7-170.956.30000113.3F142 K148 L166 T167 V168F142-C144 HydrophobicContact CD1-CB 4.27Å; F142-C144 HydrophobicContact CD2-CB 4.06Å; F142-C144 HydrophobicContact CE1-CB 3.91Å; F142-C144 HydrophobicContact CE2-CB 3.68Å; F142-C144 HydrophobicContact CG-CB 4.35Å; F142-C144 HydrophobicContact CZ-CB 3.61Å; F142-C144 PolarHBondContact O-N 3.33Å; C144-K148 VanDerWaalsContact SG-CE 3.57Å; C144-L166 PolarHBondContact N-O 2.92Å; C144-T167 CarbonylContact O-C 3.5Å; C144-T167 VanDerWaalsContact O-CA 3.31Å; C144-T167 WeakPolarHBondContact O-CA 3.33Å; C144-V168 PolarHBondContact O-N 3.06Å
145G91Very high88.9Confident7 Ų751.2 Ų51.27%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-81.6163.117300000112.6I147 K148 Y169G145-I147 VanDerWaalsContact C-N 3.28Å; G145-I147 PolarHBondContact O-N 3.09Å; G145-K148 WeakPolarHBondContact O-CG 3.47Å; G145-Y169 VanDerWaalsContact CA-CZ 3.47Å; G145-Y169 VanDerWaalsContact CA-O 3.28Å; G145-Y169 WeakPolarHBondContact CA-O 3.25Å; G145-Y169 VanDerWaalsContact N-CE1 3.34Å
146S81.4Confident89Confident57 Ų5747.5 Ų47.540%0.39925%0.247SC..SBendtrans-66.3-27.9174.7590000113.8K148 Y169 Q170S146-K148 PolarHBondContact O-N 3.35Å; S146-Y169 PolarHBondContact N-O 3.19Å; S146-Q170 VanDerWaalsContact OG-CB 3.25Å; S146-Q170 WeakPolarHBondContact OG-CB 3.37Å
147I68.3Low89Confident122 Ų12248 Ų4863%0.62624%0.238SC*.SBendtrans-85.588.9176.2-55.6175.7000107.7G145G145-I147 VanDerWaalsContact C-N 3.28Å; G145-I147 PolarHBondContact O-N 3.09Å
148K62.4Low89Confident70 Ų7053.2 Ų53.230%0.30426%0.261SS..  trans-89.4110.4179.6-61.5-176-174.1-175.90109C144 G145 S146 E150 T165C144-K148 VanDerWaalsContact SG-CE 3.57Å; G145-K148 WeakPolarHBondContact O-CG 3.47Å; S146-K148 PolarHBondContact O-N 3.35Å; K148-E150 WeakPolarHBondContact CB-OE1 3.28Å; K148-E150 PolarHBondContact O-N 3.33Å; K148-E150 VanDerWaalsContact O-N 3.16Å; K148-T165 PolarHBondContact NZ-OG1 2.84Å
149R63Low89Confident221 Ų22154.3 Ų54.383%0.83426%0.264SS*.  trans-67.7107.8150.9-72.3-175-175.7-177.71.7105V151R149-V151 HydrophobicContact CB-CG2 4.45Å; R149-V151 PolarHBondContact O-N 2.95Å
150E75.6Confident89Confident95 Ų9554.4 Ų54.444%0.44427%0.272SS..THydrogen-bonded Turntrans-64.87.3-173.7-71.2-63.9141.300114.3K148 T154K148-E150 WeakPolarHBondContact CB-OE1 3.28Å; K148-E150 PolarHBondContact O-N 3.33Å; K148-E150 VanDerWaalsContact O-N 3.16Å; E150-T154 WeakPolarHBondContact O-CB 3.25Å; E150-T154 PolarHBondContact O-N 2.89Å; E150-T154 PolarHBondContact O-OG1 3.42Å
151V87.7Confident88.9Confident62 Ų6254.6 Ų54.638%0.37627%0.273SS..Hα-helixtrans-57.8-57.3-175.4179.10000112D123 R149 A155D123-V151 HydrophobicContact CB-CG1 3.98Å; R149-V151 HydrophobicContact CB-CG2 4.45Å; R149-V151 PolarHBondContact O-N 2.95Å; V151-A155 VanDerWaalsContact O-CB 3.26Å; V151-A155 WeakPolarHBondContact O-CB 3.49Å; V151-A155 PolarHBondContact O-N 2.87Å
152L91.6Very high88.9Confident2 Ų256.6 Ų56.61%0.0129%0.286CS..Hα-helixtrans-69.6-49.3-176.9179.8154.6000112.2I60 T62 A122 L125 I129 F142 T154 A155 L156 L163I60-L152 HydrophobicContact CD1-CD2 4.13Å; I60-L152 HydrophobicContact CG2-CD1 4.15Å; T62-L152 HydrophobicContact CG2-CD1 4.27Å; A122-L152 HydrophobicContact CB-CB 4.12Å; L125-L152 HydrophobicContact CD2-CD1 3.95Å; L125-L152 HydrophobicContact CG-CD1 4.33Å; I129-L152 HydrophobicContact CD1-CD1 4.46Å; F142-L152 HydrophobicContact CD1-CD2 4.03Å; F142-L152 HydrophobicContact CE1-CD2 3.99Å; L152-T154 VanDerWaalsContact C-N 3.29Å; L152-T154 PolarHBondContact O-N 3.22Å; L152-A155 PolarHBondContact O-N 3.43Å; L152-L156 HydrophobicContact CD2-CD1 3.73Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.27Å; L152-L156 HydrophobicContact CG-CG 4.5Å; L152-L156 WeakPolarHBondContact O-CG 3.19Å; L152-L156 PolarHBondContact O-N 2.73Å; L152-L163 HydrophobicContact CD2-CD2 4.37Å
153P92.9Very high88.9Confident12 Ų1258.1 Ų58.18%0.07830%0.295CS..Hα-helixtrans-58.7-38.5176.4-26.735.9000113.9F142 R157 L163F142-P153 HydrophobicContact CD1-CG 4.34Å; F142-P153 HydrophobicContact CE1-CG 4.06Å; P153-R157 VanDerWaalsContact O-CB 3.28Å; P153-R157 WeakPolarHBondContact O-CB 3.21Å; P153-R157 PolarHBondContact O-N 2.84Å; P153-R157 VanDerWaalsContact O-N 3.14Å; P153-L163 HydrophobicContact CB-CD2 3.88Å; P153-L163 HydrophobicContact CG-CD2 4.25Å
154T93.9Very high88.9Confident32 Ų3261 Ų6120%0.19631%0.308CS..Hα-helixtrans-69.3-48.5178.5-61.10000111.2E150 L152 L156 R157 E158E150-T154 WeakPolarHBondContact O-CB 3.25Å; E150-T154 PolarHBondContact O-N 2.89Å; E150-T154 PolarHBondContact O-OG1 3.42Å; L152-T154 VanDerWaalsContact C-N 3.29Å; L152-T154 PolarHBondContact O-N 3.22Å; T154-L156 VanDerWaalsContact C-N 3.35Å; T154-L156 PolarHBondContact O-N 3.05Å; T154-R157 PolarHBondContact O-N 3Å; T154-R157 PolarHBondContact OG1-NH2 3.19Å; T154-E158 HydrophobicContact CG2-CG 4.21Å; T154-E158 VanDerWaalsContact CG2-OE1 3.28Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.21Å; T154-E158 WeakPolarHBondContact O-CB 3.39Å; T154-E158 WeakPolarHBondContact O-CG 3.46Å; T154-E158 PolarHBondContact O-N 3Å
155A95.1Very high89Confident16 Ų1663.2 Ų63.213%0.13232%0.322CS..Hα-helixtrans-59-43.7179.700000112.5V151 L152 E158 N159V151-A155 VanDerWaalsContact O-CB 3.26Å; V151-A155 WeakPolarHBondContact O-CB 3.49Å; V151-A155 PolarHBondContact O-N 2.87Å; L152-A155 PolarHBondContact O-N 3.43Å; A155-E158 PolarHBondContact O-N 3.31Å; A155-N159 PolarHBondContact O-N 3.12Å; A155-N159 PolarHBondContact O-ND2 3.36Å
156L96.1Very high89.3Confident0 Ų064.1 Ų64.10%032%0.324CS..Hα-helixtrans-65.8-43.1177.9-65-171.9000111.8I60 I129 I130 L140 L152 T154 E158 N159 G160 V161 L163I60-L156 HydrophobicContact CD1-CD1 4Å; I129-L156 HydrophobicContact CB-CD2 3.93Å; I129-L156 HydrophobicContact CD1-CD1 4.35Å; I129-L156 HydrophobicContact CG2-CD1 4.28Å; I129-L156 HydrophobicContact CG2-CD2 3.58Å; I130-L156 HydrophobicContact CD1-CD2 4.35Å; I130-L156 HydrophobicContact CG1-CD2 3.85Å; L140-L156 HydrophobicContact CD1-CD1 4.48Å; L152-L156 HydrophobicContact CD2-CD1 3.73Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.27Å; L152-L156 HydrophobicContact CG-CG 4.5Å; L152-L156 WeakPolarHBondContact O-CG 3.19Å; L152-L156 PolarHBondContact O-N 2.73Å; T154-L156 VanDerWaalsContact C-N 3.35Å; T154-L156 PolarHBondContact O-N 3.05Å; L156-E158 PolarHBondContact O-N 2.82Å; L156-N159 CarbonylContact O-C 3.57Å; L156-N159 PolarHBondContact O-N 2.91Å; L156-G160 PolarHBondContact O-N 2.9Å; L156-G160 VanDerWaalsContact O-N 3.14Å; L156-V161 HydrophobicContact CB-CB 4.12Å; L156-V161 HydrophobicContact CD2-CB 4.22Å; L156-V161 HydrophobicContact CD2-CG1 4.33Å; L156-V161 HydrophobicContact CD2-CG2 4.43Å; L156-V161 PolarHBondContact O-N 2.67Å; L156-L163 HydrophobicContact CD1-CD1 3.89Å; L156-L163 HydrophobicContact CD1-CD2 4.22Å; L156-L163 HydrophobicContact CD1-CG 4.48Å
157R94.8Very high90Very high161 Ų16163.1 Ų63.161%0.60832%0.316SS*.Hα-helixtrans-62.2-42.7176.9-178.5177.363.2-131.2-7112.3P153 T154 N159 G160P153-R157 VanDerWaalsContact O-CB 3.28Å; P153-R157 WeakPolarHBondContact O-CB 3.21Å; P153-R157 PolarHBondContact O-N 2.84Å; P153-R157 VanDerWaalsContact O-N 3.14Å; T154-R157 PolarHBondContact O-N 3Å; T154-R157 PolarHBondContact OG1-NH2 3.19Å; R157-N159 PolarHBondContact O-N 3.42Å; R157-G160 PolarHBondContact O-N 2.91Å
158E96.5Very high91.3Very high145 Ų14557.3 Ų57.368%0.67829%0.286SS*.Hα-helixtrans-65.8-25.2178.8-74.3175172.400112.9T154 A155 L156T154-E158 HydrophobicContact CG2-CG 4.21Å; T154-E158 VanDerWaalsContact CG2-OE1 3.28Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.21Å; T154-E158 WeakPolarHBondContact O-CB 3.39Å; T154-E158 WeakPolarHBondContact O-CG 3.46Å; T154-E158 PolarHBondContact O-N 3Å; A155-E158 PolarHBondContact O-N 3.31Å; L156-E158 PolarHBondContact O-N 2.82Å
159N97.4Very high92.8Very high82 Ų8255.5 Ų55.544%0.43928%0.278SS..THydrogen-bonded Turntrans-102.512.8178-69.3-89.1000112.9I130 A155 L156 R157 V161I130-N159 HydrophobicContact CD1-CB 3.94Å; I130-N159 WeakPolarHBondContact CD1-ND2 3.26Å; I130-N159 HydrophobicContact CG1-CB 3.88Å; I130-N159 HydrophobicContact CG2-CB 3.96Å; A155-N159 PolarHBondContact O-N 3.12Å; A155-N159 PolarHBondContact O-ND2 3.36Å; L156-N159 CarbonylContact O-C 3.57Å; L156-N159 PolarHBondContact O-N 2.91Å; R157-N159 PolarHBondContact O-N 3.42Å; N159-V161 PolarHBondContact O-N 3.22Å
160G97.1Very high94.2Very high42 Ų4247.8 Ų47.843%0.43325%0.251SS..THydrogen-bonded Turntrans71.810.3174.200000115.5L156 R157 P162L156-G160 PolarHBondContact O-N 2.9Å; L156-G160 VanDerWaalsContact O-N 3.14Å; R157-G160 PolarHBondContact O-N 2.91Å; G160-P162 VanDerWaalsContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CD 3.29Å
161V98Very high94.8Very high5 Ų544.5 Ų44.53%0.0324%0.237CC..  trans-77117.3177.2179.20000109I129 I130 L140 L156 N159 L163I129-V161 HydrophobicContact CG2-CG1 4.18Å; I130-V161 HydrophobicContact CG1-CG2 4.33Å; L140-V161 HydrophobicContact CD1-CG1 3.96Å; L140-V161 HydrophobicContact CG-CG1 4.48Å; L156-V161 HydrophobicContact CB-CB 4.12Å; L156-V161 HydrophobicContact CD2-CB 4.22Å; L156-V161 HydrophobicContact CD2-CG1 4.33Å; L156-V161 HydrophobicContact CD2-CG2 4.43Å; L156-V161 PolarHBondContact O-N 2.67Å; N159-V161 PolarHBondContact O-N 3.22Å; V161-L163 PolarHBondContact O-N 3.33Å
162P97.5Very high94.9Very high42 Ų4242.3 Ų42.327%0.27323%0.226SC..  trans-65.8130.1-177.7-22.536.2000111.5T135 P139 L140 G160T135-P162 WeakPolarHBondContact O-CD 3.34Å; T135-P162 WeakPolarHBondContact O-CG 3.12Å; P139-P162 WeakPolarHBondContact CA-O 3.47Å; P139-P162 HydrophobicContact CB-CB 4.24Å; L140-P162 PolarHBondContact N-O 3.05Å; G160-P162 VanDerWaalsContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CD 3.29Å
163L96.6Very high94.9Very high44 Ų4446.4 Ų46.423%0.2325%0.245CC..EExtended strand (participates in β ladder)trans-135.3129-175.8-176.173.6000110.6I60 L140 F142 L152 P153 L156 V161 T165I60-L163 HydrophobicContact CD1-CD1 3.71Å; L140-L163 HydrophobicContact CB-CD1 4.03Å; F142-L163 HydrophobicContact CB-CD1 3.83Å; L152-L163 HydrophobicContact CD2-CD2 4.37Å; P153-L163 HydrophobicContact CB-CD2 3.88Å; P153-L163 HydrophobicContact CG-CD2 4.25Å; L156-L163 HydrophobicContact CD1-CD1 3.89Å; L156-L163 HydrophobicContact CD1-CD2 4.22Å; L156-L163 HydrophobicContact CD1-CG 4.48Å; V161-L163 PolarHBondContact O-N 3.33Å; L163-T165 HydrophobicContact CD2-CG2 3.87Å; L163-T165 HydrophobicContact CG-CG2 4.08Å
164E97Very high95Very high61 Ų6147.6 Ų47.629%0.28525%0.25SC..EExtended strand (participates in β ladder)trans-110123.6167.6-179.6171-161.800109.8K49 H56 P139 L140 F141 F142K49-E164 WeakPolarHBondContact CE-OE1 3.44Å; K49-E164 IonicContact NZ-OE1 2.83Å; K49-E164 PolarHBondContact NZ-OE1 3.5Å; K49-E164 IonicContact NZ-OE2 2.6Å; K49-E164 PolarHBondContact NZ-OE2 3.15Å; H56-E164 IonicContact CD2-OE2 3.32Å; H56-E164 IonicContact NE2-OE2 3.17Å; H56-E164 PolarHBondContact NE2-OE2 3.29Å; P139-E164 HydrophobicContact CB-CB 4.01Å; P139-E164 HydrophobicContact CG-CB 4.33Å; L140-E164 PolarHBondContact O-N 3.22Å; F141-E164 HydrophobicContact CD2-CB 4.34Å; F141-E164 HydrophobicContact CD2-CG 4.18Å; F141-E164 HydrophobicContact CE2-CG 4.44Å; F142-E164 PolarHBondContact N-O 2.83Å
165T95.6Very high94.8Very high50 Ų5051 Ų5131%0.30727%0.273SS..EExtended strand (participates in β ladder)trans-106.4139.7177.176.20000111.5F142 K148 L163F142-T165 HydrophobicContact CB-CG2 4.34Å; F142-T165 HydrophobicContact CD1-CG2 3.96Å; F142-T165 WeakPolarHBondContact O-CA 3.27Å; K148-T165 PolarHBondContact NZ-OG1 2.84Å; L163-T165 HydrophobicContact CD2-CG2 3.87Å; L163-T165 HydrophobicContact CG-CG2 4.08Å
166L96.1Very high94.8Very high25 Ų2553.6 Ų53.613%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-130126.5169.8-17866.2000109.8T45 F46 F141 F142 P143 C144 V168T45-L166 HydrophobicContact CG2-CD1 4.41Å; T45-L166 HydrophobicContact CG2-CD2 4.31Å; F46-L166 HydrophobicContact CB-CD2 3.69Å; F46-L166 HydrophobicContact CD2-CD2 4.18Å; F46-L166 HydrophobicContact CG-CD2 4.31Å; F141-L166 HydrophobicContact CE2-CB 3.64Å; F141-L166 HydrophobicContact CE2-CD2 4.39Å; F141-L166 HydrophobicContact CZ-CB 3.87Å; F141-L166 HydrophobicContact CZ-CD2 3.86Å; F142-L166 PolarHBondContact O-N 3.26Å; P143-L166 CarbonylContact C-O 3.53Å; P143-L166 WeakPolarHBondContact CA-O 3.48Å; C144-L166 PolarHBondContact N-O 2.92Å; L166-V168 HydrophobicContact CB-CG1 4.4Å; L166-V168 HydrophobicContact CD2-CG1 4Å; L166-V168 HydrophobicContact CG-CG1 4Å; L166-V168 PolarHBondContact O-N 3.33Å
167T96.3Very high94.7Very high37 Ų3753.6 Ų53.623%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-72113.9170.6-56.20000108.5V41 S42 C144 Y169V41-T167 HydrophobicContact CG2-CG2 3.99Å; V41-T167 WeakPolarHBondContact CG2-O 3.37Å; S42-T167 WeakPolarHBondContact CB-O 3.4Å; S42-T167 PolarHBondContact OG-O 3.24Å; C144-T167 CarbonylContact O-C 3.5Å; C144-T167 VanDerWaalsContact O-CA 3.31Å; C144-T167 WeakPolarHBondContact O-CA 3.33Å; T167-Y169 WeakPolarHBondContact CG2-O 3.34Å
168V96.4Very high94.7Very high0 Ų049.1 Ų49.10%027%0.27CS..EExtended strand (participates in β ladder)trans-111.3-12.4-179.5-56.90000113.3F40 V41 F46 A66 A69 P143 C144 L166F40-V168 WeakPolarHBondContact CA-O 3.41Å; V41-V168 PolarHBondContact N-O 3.22Å; V41-V168 CarbonylContact O-C 3.55Å; V41-V168 WeakPolarHBondContact O-CA 3.03Å; F46-V168 HydrophobicContact CB-CG1 3.99Å; F46-V168 HydrophobicContact CD1-CB 4.29Å; F46-V168 HydrophobicContact CD1-CG1 3.81Å; F46-V168 HydrophobicContact CD2-CG1 3.89Å; F46-V168 HydrophobicContact CE1-CG1 4.22Å; F46-V168 HydrophobicContact CE2-CG1 4.32Å; F46-V168 HydrophobicContact CG-CG1 3.63Å; F46-V168 HydrophobicContact CZ-CG1 4.46Å; A66-V168 HydrophobicContact CB-CG2 4.15Å; A69-V168 HydrophobicContact CB-CB 4.11Å; A69-V168 HydrophobicContact CB-CG2 3.9Å; P143-V168 HydrophobicContact CB-CB 4.43Å; P143-V168 HydrophobicContact CB-CG1 3.71Å; P143-V168 HydrophobicContact CB-CG2 3.81Å; C144-V168 PolarHBondContact O-N 3.06Å; L166-V168 HydrophobicContact CB-CG1 4.4Å; L166-V168 HydrophobicContact CD2-CG1 4Å; L166-V168 HydrophobicContact CG-CG1 4Å; L166-V168 PolarHBondContact O-N 3.33Å
169Y94Very high94.7Very high32 Ų3247.9 Ų47.913%0.12526%0.262CS..EExtended strand (participates in β ladder)trans-146.1157.716971.6-84.5000110.5F38 K39 S63 R65 A66 G145 S146 T167F38-Y169 AromaticContact CD1-CD2 4Å; F38-Y169 HydrophobicContact CD1-CD2 4Å; F38-Y169 HydrophobicContact CD1-CE2 4.29Å; K39-Y169 CarbonylContact O-C 3.44Å; K39-Y169 WeakPolarHBondContact O-CA 3.31Å; S63-Y169 WeakPolarHBondContact CB-OH 3.48Å; S63-Y169 PolarHBondContact OG-OH 2.92Å; R65-Y169 HydrophobicContact CB-CD1 3.84Å; R65-Y169 HydrophobicContact CB-CD2 4.08Å; R65-Y169 HydrophobicContact CB-CE1 3.92Å; R65-Y169 HydrophobicContact CB-CE2 4.16Å; R65-Y169 HydrophobicContact CB-CG 3.92Å; A66-Y169 HydrophobicContact CB-CE1 4.28Å; G145-Y169 VanDerWaalsContact CA-CZ 3.47Å; G145-Y169 VanDerWaalsContact CA-O 3.28Å; G145-Y169 WeakPolarHBondContact CA-O 3.25Å; G145-Y169 VanDerWaalsContact N-CE1 3.34Å; S146-Y169 PolarHBondContact N-O 3.19Å; T167-Y169 WeakPolarHBondContact CG2-O 3.34Å
170Q91.2Very high94.7Very high59 Ų5946 Ų4628%0.27625%0.253SS..EExtended strand (participates in β ladder)trans-146.2152173.159.6-178.669.200110.9F38 K39 V41 S146 A172F38-Q170 WeakPolarHBondContact CA-O 3.33Å; K39-Q170 HydrophobicContact CD-CG 4.18Å; K39-Q170 VanDerWaalsContact CE-CG 3.45Å; K39-Q170 HydrophobicContact CG-CG 3.6Å; K39-Q170 PolarHBondContact N-O 3.32Å; K39-Q170 PolarHBondContact O-N 3.45Å; V41-Q170 HydrophobicContact CG1-CG 3.95Å; S146-Q170 VanDerWaalsContact OG-CB 3.25Å; S146-Q170 WeakPolarHBondContact OG-CB 3.37Å; Q170-A172 PolarHBondContact O-N 3.38Å
171T88.2Confident94.7Very high25 Ų2544 Ų4415%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-59.3133.8168.6-52.90000109.2L36 F204L36-T171 HydrophobicContact CB-CG2 4.31Å; L36-T171 HydrophobicContact CD1-CG2 4.21Å; L36-T171 HydrophobicContact CD2-CG2 3.9Å; L36-T171 HydrophobicContact CG-CG2 4.37Å; T171-F204 HydrophobicContact CG2-CE2 4.07Å
172A90.2Very high94.7Very high17 Ų1749.4 Ų49.414%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-131.7168.8176.300000109.5L36 S37 K39 Q170L36-A172 CarbonylContact C-O 3.6Å; L36-A172 WeakPolarHBondContact CA-O 3.37Å; S37-A172 PolarHBondContact N-O 2.89Å; S37-A172 PolarHBondContact O-N 3.35Å; K39-A172 HydrophobicContact CB-CB 4.26Å; K39-A172 HydrophobicContact CD-CB 4.01Å; K39-A172 HydrophobicContact CG-CB 3.97Å; Q170-A172 PolarHBondContact O-N 3.38Å
173E92.3Very high94.7Very high87 Ų8750.6 Ų50.641%0.40726%0.259SS..EExtended strand (participates in β ladder)trans-63144.5167-177.3178.6174.700110.6L177 F204E173-L177 HydrophobicContact CG-CB 4.01Å; E173-L177 HydrophobicContact CG-CD2 3.61Å; E173-L177 HydrophobicContact CG-CG 4.44Å; E173-L177 WeakPolarHBondContact OE1-CD2 3.31Å; E173-F204 HydrophobicContact CB-CB 4.21Å; E173-F204 HydrophobicContact CB-CD1 3.89Å; E173-F204 HydrophobicContact CB-CE1 4.41Å; E173-F204 HydrophobicContact CB-CG 3.98Å; E173-F204 HydrophobicContact CG-CB 4.11Å; E173-F204 HydrophobicContact CG-CG 4.44Å
174H93.8Very high94.7Very high38 Ų3848.8 Ų48.818%0.17625%0.249CC..  trans-63.8130.4172.6-171.3-78000110.2V35 L36 D176 L177V35-H174 PolarHBondContact O-N 2.9Å; L36-H174 PolarHBondContact O-CD2 3.23Å; H174-D176 IonicContact CE1-OD2 2.67Å; H174-D176 PolarHBondContact ND1-N 2.63Å; H174-D176 VanDerWaalsContact ND1-N 3.15Å; H174-D176 PolarHBondContact O-N 2.97Å; H174-D176 VanDerWaalsContact O-N 3.12Å; H174-L177 HydrophobicContact CB-CB 4.25Å; H174-L177 WeakPolarHBondContact O-CB 3.45Å; H174-L177 PolarHBondContact O-N 2.54Å
175P91.6Very high94.7Very high104 Ų10446.8 Ų46.868%0.67524%0.239SC*.THydrogen-bonded Turntrans-59.5-31.3-172.822.7-34.5000113.8
176D94.4Very high94.7Very high69 Ų6949.7 Ų49.737%0.36926%0.257SS..THydrogen-bonded Turntrans-94.810.3176.6-63.4-60.9000114.3H174 E178 K179 N180H174-D176 IonicContact CE1-OD2 2.67Å; H174-D176 PolarHBondContact ND1-N 2.63Å; H174-D176 VanDerWaalsContact ND1-N 3.15Å; H174-D176 PolarHBondContact O-N 2.97Å; H174-D176 VanDerWaalsContact O-N 3.12Å; D176-E178 PolarHBondContact O-N 2.79Å; D176-K179 PolarHBondContact O-N 3.35Å; D176-N180 WeakPolarHBondContact O-CB 3.42Å; D176-N180 PolarHBondContact O-N 2.87Å; D176-N180 PolarHBondContact O-ND2 2.76Å
177L94.3Very high94.8Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-54.8-55.6-173.7176.758.9000112.2I33 V35 E173 H174 K179 N180 L181 F204 C205I33-L177 HydrophobicContact CG2-CD1 3.95Å; V35-L177 HydrophobicContact CB-CD1 4.29Å; V35-L177 HydrophobicContact CG1-CD1 3.92Å; E173-L177 HydrophobicContact CG-CB 4.01Å; E173-L177 HydrophobicContact CG-CD2 3.61Å; E173-L177 HydrophobicContact CG-CG 4.44Å; E173-L177 WeakPolarHBondContact OE1-CD2 3.31Å; H174-L177 HydrophobicContact CB-CB 4.25Å; H174-L177 WeakPolarHBondContact O-CB 3.45Å; H174-L177 PolarHBondContact O-N 2.54Å; L177-K179 VanDerWaalsContact C-N 3.31Å; L177-K179 PolarHBondContact O-N 2.92Å; L177-N180 PolarHBondContact O-N 2.98Å; L177-L181 HydrophobicContact CD1-CD1 3.72Å; L177-L181 HydrophobicContact CD1-CG 3.95Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 2.92Å; L177-F204 HydrophobicContact CD2-CB 4.17Å; L177-C205 HydrophobicContact CD2-CB 4.34Å; L177-C205 VanDerWaalsContact CD2-SG 3.59Å
178E94.6Very high94.7Very high68 Ų6856.5 Ų56.532%0.31829%0.286SS..Hα-helixtrans-56.3-46-179.9-179.564.2-158.200111.6D176 K182 A208 R211D176-E178 PolarHBondContact O-N 2.79Å; E178-K182 VanDerWaalsContact O-CB 3.26Å; E178-K182 WeakPolarHBondContact O-CB 3.22Å; E178-K182 PolarHBondContact O-N 2.8Å; E178-A208 WeakPolarHBondContact OE2-CB 3.39Å; E178-R211 IonicContact OE1-CZ 2.69Å; E178-R211 IonicContact OE1-NE 2.73Å; E178-R211 IonicContact OE1-NH2 3.68Å; E178-R211 PolarHBondContact OE1-NH2 3.15Å; E178-R211 IonicContact OE2-NH2 3.52Å; E178-R211 PolarHBondContact OE2-NH2 3.16Å
179K96.5Very high94.6Very high119 Ų11958 Ų5852%0.51730%0.301SS..Hα-helixtrans-62.3-46.7179177-174.5169.5-168.20111.1D176 L177 K182 N183D176-K179 PolarHBondContact O-N 3.35Å; L177-K179 VanDerWaalsContact C-N 3.31Å; L177-K179 PolarHBondContact O-N 2.92Å; K179-K182 PolarHBondContact O-N 2.97Å; K179-N183 WeakPolarHBondContact O-CB 3.32Å; K179-N183 PolarHBondContact O-N 3.17Å; K179-N183 PolarHBondContact O-OD1 3.35Å
180N96.8Very high94.7Very high43 Ų4358.1 Ų58.123%0.2331%0.305CS..Hα-helixtrans-66.7-42.6-178-68.8-18.9000111.4I33 D176 L177 N183 Y184I33-N180 HydrophobicContact CD1-CB 4.21Å; I33-N180 HydrophobicContact CG1-CB 4.41Å; I33-N180 HydrophobicContact CG2-CB 3.83Å; D176-N180 WeakPolarHBondContact O-CB 3.42Å; D176-N180 PolarHBondContact O-N 2.87Å; D176-N180 PolarHBondContact O-ND2 2.76Å; L177-N180 PolarHBondContact O-N 2.98Å; N180-N183 PolarHBondContact O-N 3.09Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 2.92Å
181L97.3Very high95Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-62.3-48.3174.1-74.7172.3000110.9L4 L6 I33 L177 N183 Y184 F185 C205 A208 V209 L212L4-L181 HydrophobicContact CD2-CD2 3.96Å; L6-L181 HydrophobicContact CD2-CD2 4.02Å; I33-L181 HydrophobicContact CD1-CD2 3.95Å; I33-L181 HydrophobicContact CD1-CG 4.4Å; L177-L181 HydrophobicContact CD1-CD1 3.72Å; L177-L181 HydrophobicContact CD1-CG 3.95Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 2.92Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 3.31Å; L181-Y184 WeakPolarHBondContact O-CB 3.29Å; L181-Y184 PolarHBondContact O-N 2.95Å; L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 2.97Å; L181-C205 HydrophobicContact CD1-CB 4.47Å; L181-A208 HydrophobicContact CD1-CB 3.64Å; L181-V209 HydrophobicContact CD1-CG2 4.48Å; L181-V209 HydrophobicContact CD2-CG2 4.34Å; L181-L212 HydrophobicContact CB-CD1 3.58Å
182K97.1Very high95.5Very high118 Ų11855.6 Ų55.651%0.51330%0.296SS..Hα-helixtrans-58.4-45178.6-175.5178.4179.6-179.80111.8E178 K179 F185 T186 L212E178-K182 VanDerWaalsContact O-CB 3.26Å; E178-K182 WeakPolarHBondContact O-CB 3.22Å; E178-K182 PolarHBondContact O-N 2.8Å; K179-K182 PolarHBondContact O-N 2.97Å; K182-F185 PolarHBondContact O-N 3Å; K182-T186 VanDerWaalsContact O-CB 3.32Å; K182-T186 WeakPolarHBondContact O-CB 3.45Å; K182-T186 PolarHBondContact O-N 3.35Å; K182-T186 PolarHBondContact O-OG1 2.62Å; K182-L212 HydrophobicContact CB-CD2 4.44Å; K182-L212 HydrophobicContact CG-CD2 4.5Å
183N97.6Very high95.9Very high66 Ų6654.8 Ų54.835%0.35329%0.29SS..Hα-helixtrans-61-46177-70.6-4.2000110.9K179 N180 L181 T186 E187K179-N183 WeakPolarHBondContact O-CB 3.32Å; K179-N183 PolarHBondContact O-N 3.17Å; K179-N183 PolarHBondContact O-OD1 3.35Å; N180-N183 PolarHBondContact O-N 3.09Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 3.31Å; N183-T186 PolarHBondContact O-N 3.2Å; N183-E187 WeakPolarHBondContact O-CB 3.43Å; N183-E187 WeakPolarHBondContact O-CG 3.33Å; N183-E187 PolarHBondContact O-N 3.26Å
184Y97.8Very high96.2Very high6 Ų650.7 Ų50.72%0.02427%0.271CS..Hα-helixtrans-57.6-52.4177179-92.7000112.7L4 T31 I33 N180 L181 T186 E187 Q188 P191L4-Y184 HydrophobicContact CB-CE1 4.18Å; L4-Y184 HydrophobicContact CD1-CD1 4.3Å; L4-Y184 HydrophobicContact CD1-CD2 4.11Å; L4-Y184 HydrophobicContact CD1-CE1 4.28Å; L4-Y184 HydrophobicContact CD1-CE2 4.08Å; L4-Y184 HydrophobicContact CD1-CG 4.21Å; L4-Y184 HydrophobicContact CD2-CD1 4.05Å; L4-Y184 HydrophobicContact CD2-CE1 4.06Å; L4-Y184 HydrophobicContact CG-CE1 4.41Å; T31-Y184 HydrophobicContact CG2-CD2 3.75Å; T31-Y184 HydrophobicContact CG2-CE2 3.88Å; I33-Y184 HydrophobicContact CD1-CG 4.42Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 2.92Å; L181-Y184 WeakPolarHBondContact O-CB 3.29Å; L181-Y184 PolarHBondContact O-N 2.95Å; Y184-T186 VanDerWaalsContact C-N 3.26Å; Y184-T186 PolarHBondContact O-N 3.45Å; Y184-E187 PolarHBondContact O-N 2.84Å; Y184-Q188 HydrophobicContact CD2-CB 4.33Å; Y184-Q188 HydrophobicContact CD2-CG 4.17Å; Y184-Q188 HydrophobicContact CE2-CB 4.02Å; Y184-Q188 HydrophobicContact CE2-CG 4.03Å; Y184-Q188 VanDerWaalsContact CE2-OE1 3.28Å; Y184-Q188 WeakPolarHBondContact O-CB 3.33Å; Y184-Q188 PolarHBondContact O-N 3.13Å; Y184-P191 HydrophobicContact CE1-CB 3.96Å; Y184-P191 HydrophobicContact CE1-CG 4.01Å
185F97.1Very high96.4Very high20 Ų2048.9 Ų48.99%0.08826%0.262CS..Hα-helixtrans-64.8-30.9179.8-84.8-96.8000112.3L181 K182 G189 T190 P191 I194 L212 S213L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 2.97Å; K182-F185 PolarHBondContact O-N 3Å; F185-G189 WeakPolarHBondContact O-CA 3.36Å; F185-G189 PolarHBondContact O-N 3.3Å; F185-G189 VanDerWaalsContact O-N 3.15Å; F185-T190 HydrophobicContact CE1-CG2 4.45Å; F185-P191 HydrophobicContact CZ-CG 4.41Å; F185-I194 HydrophobicContact CZ-CD1 4.48Å; F185-L212 HydrophobicContact CB-CB 4.38Å; F185-L212 HydrophobicContact CD1-CB 3.96Å; F185-L212 HydrophobicContact CD2-CB 3.86Å; F185-L212 HydrophobicContact CD2-CD1 3.85Å; F185-L212 HydrophobicContact CD2-CG 4.45Å; F185-L212 HydrophobicContact CE1-CB 4.15Å; F185-L212 HydrophobicContact CE2-CB 4.06Å; F185-L212 HydrophobicContact CE2-CD1 4.25Å; F185-L212 HydrophobicContact CG-CB 3.81Å; F185-L212 HydrophobicContact CG-CD1 4.4Å; F185-L212 HydrophobicContact CZ-CB 4.19Å; F185-S213 WeakPolarHBondContact CE1-OG 3.28Å; F185-S213 WeakPolarHBondContact CZ-OG 3.31Å
186T96.3Very high96.7Very high111 Ų11143.9 Ų43.968%0.68123%0.23SC*.Hα-helixtrans-73-40.2177-55.80000112K182 N183 Y184K182-T186 VanDerWaalsContact O-CB 3.32Å; K182-T186 WeakPolarHBondContact O-CB 3.45Å; K182-T186 PolarHBondContact O-N 3.35Å; K182-T186 PolarHBondContact O-OG1 2.62Å; N183-T186 PolarHBondContact O-N 3.2Å; Y184-T186 VanDerWaalsContact C-N 3.26Å; Y184-T186 PolarHBondContact O-N 3.45Å
187E96.2Very high96.8Very high152 Ų15242.3 Ų42.371%0.7122%0.22SC*.Hα-helixtrans-89.9-37.3-173.4-67.9174-169.900113.5N183 Y184N183-E187 WeakPolarHBondContact O-CB 3.43Å; N183-E187 WeakPolarHBondContact O-CG 3.33Å; N183-E187 PolarHBondContact O-N 3.26Å; Y184-E187 PolarHBondContact O-N 2.84Å
188Q94.9Very high96.8Very high53 Ų5343.7 Ų43.725%0.24823%0.229CC..Hα-helixtrans-109.5-11.4-175.2-56.5-164.334.200113.4H2 T31 Y184H2-Q188 PolarHBondContact CE1-OE1 3.04Å; H2-Q188 PolarHBondContact ND1-OE1 3.2Å; T31-Q188 PolarHBondContact OG1-NE2 3.38Å; T31-Q188 VanDerWaalsContact OG1-NE2 3.08Å; Y184-Q188 HydrophobicContact CD2-CB 4.33Å; Y184-Q188 HydrophobicContact CD2-CG 4.17Å; Y184-Q188 HydrophobicContact CE2-CB 4.02Å; Y184-Q188 HydrophobicContact CE2-CG 4.03Å; Y184-Q188 VanDerWaalsContact CE2-OE1 3.28Å; Y184-Q188 WeakPolarHBondContact O-CB 3.33Å; Y184-Q188 PolarHBondContact O-N 3.13Å
189G94.7Very high96.8Very high30 Ų3042.9 Ų42.931%0.30923%0.23SC..  trans73.8-166.2-173.800000113.1F185F185-G189 WeakPolarHBondContact O-CA 3.36Å; F185-G189 PolarHBondContact O-N 3.3Å; F185-G189 VanDerWaalsContact O-N 3.15Å
190T96.6Very high96.6Very high36 Ų3639 Ų3922%0.22122%0.218CC..SBendtrans-68.8125.1179-58.80000110.5F185 Q216 I220F185-T190 HydrophobicContact CE1-CG2 4.45Å; T190-Q216 HydrophobicContact CG2-CB 3.91Å; T190-Q216 PolarHBondContact OG1-OE1 3.01Å; T190-I220 HydrophobicContact CG2-CD1 3.75Å; T190-I220 HydrophobicContact CG2-CG1 3.72Å
191P97.6Very high96.5Very high3 Ų337 Ų372%0.01921%0.207CC..  trans-70.8150.3179.828.7-32.8000111.4L4 Y184 F185 S193 I194 I220L4-P191 HydrophobicContact CB-CB 4.21Å; L4-P191 HydrophobicContact CB-CG 4.29Å; Y184-P191 HydrophobicContact CE1-CB 3.96Å; Y184-P191 HydrophobicContact CE1-CG 4.01Å; F185-P191 HydrophobicContact CZ-CG 4.41Å; P191-S193 VanDerWaalsContact C-N 3.29Å; P191-S193 PolarHBondContact O-N 3.47Å; P191-I194 HydrophobicContact CB-CG1 4.38Å; P191-I194 HydrophobicContact CG-CD1 3.81Å; P191-I194 HydrophobicContact CG-CG1 3.52Å; P191-I220 HydrophobicContact CG-CD1 4.45Å
192A98.1Very high96.4Very high27 Ų2737 Ų3722%0.22321%0.208CC..SBendtrans-70.1-31.2172.800000111.6M1 H2 K221 L260M1-A192 HydrophobicContact CB-CB 3.76Å; M1-A192 HydrophobicContact CG-CB 3.97Å; M1-A192 HydrophobicContact SD-CB 4.02Å; H2-A192 PolarHBondContact O-N 3.44Å; A192-K221 PolarHBondContact O-N 2.83Å; A192-L260 HydrophobicContact CB-CD2 3.83Å
193S98.5Very high96.3Very high1 Ų139 Ų391%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-142.4145.3175.2-177.80000112.4H2 V3 L4 P191 K221H2-S193 PolarHBondContact O-N 2.9Å; V3-S193 WeakPolarHBondContact CA-O 3.46Å; L4-S193 PolarHBondContact N-O 2.78Å; P191-S193 VanDerWaalsContact C-N 3.29Å; P191-S193 PolarHBondContact O-N 3.47Å; S193-K221 WeakPolarHBondContact CA-O 3.44Å; S193-K221 VanDerWaalsContact CB-O 3.27Å; S193-K221 WeakPolarHBondContact CB-O 3.47Å; S193-K221 PolarHBondContact OG-O 3.32Å
194I98.5Very high96.1Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-120.4124.6169.5-61.7178.9000108.4L4 L6 F185 P191 F196 V209 I220 K221 F222 A223L4-I194 HydrophobicContact CB-CG1 4.19Å; L4-I194 HydrophobicContact CD2-CD1 4.41Å; L4-I194 HydrophobicContact CD2-CG1 4.34Å; L4-I194 CarbonylContact O-C 3.53Å; L4-I194 WeakPolarHBondContact O-CA 3.22Å; L6-I194 HydrophobicContact CD1-CG2 3.47Å; L6-I194 VanDerWaalsContact CD1-CG2 3.47Å; L6-I194 HydrophobicContact CG-CG2 4.02Å; F185-I194 HydrophobicContact CZ-CD1 4.48Å; P191-I194 HydrophobicContact CB-CG1 4.38Å; P191-I194 HydrophobicContact CG-CD1 3.81Å; P191-I194 HydrophobicContact CG-CG1 3.52Å; I194-F196 HydrophobicContact CG2-CD2 4.22Å; I194-F196 HydrophobicContact CG2-CE2 3.82Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å; I194-V209 HydrophobicContact CD1-CG1 3.47Å; I194-V209 VanDerWaalsContact CD1-CG1 3.47Å; I194-V209 HydrophobicContact CD1-CG2 4.24Å; I194-I220 HydrophobicContact CB-CG2 4.11Å; I194-I220 HydrophobicContact CD1-CD1 3.91Å; I194-I220 HydrophobicContact CD1-CG2 3.95Å; I194-I220 HydrophobicContact CG1-CG2 3.68Å; I194-K221 PolarHBondContact N-O 3.5Å; I194-K221 VanDerWaalsContact N-O 3.09Å; I194-F222 HydrophobicContact CB-CD1 4.09Å; I194-F222 HydrophobicContact CB-CE1 4.01Å; I194-F222 HydrophobicContact CD1-CE1 4.12Å; I194-F222 HydrophobicContact CG2-CE1 4.37Å; I194-F222 WeakPolarHBondContact O-CA 3.38Å; I194-A223 PolarHBondContact O-N 3.27Å
195A98.4Very high95.9Very high0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-106.7125.7177.500000112L4 L5 L6 F197 A223 L252 I256L4-A195 PolarHBondContact O-N 2.84Å; L5-A195 HydrophobicContact CD2-CB 3.76Å; L6-A195 PolarHBondContact N-O 3.07Å; A195-F197 HydrophobicContact CB-CE2 4.01Å; A195-A223 CarbonylContact C-O 3.39Å; A195-A223 WeakPolarHBondContact CA-O 3.35Å; A195-A223 HydrophobicContact CB-CB 4.04Å; A195-L252 HydrophobicContact CB-CD2 4.14Å; A195-I256 HydrophobicContact CB-CD1 4.05Å
196F98.2Very high95.8Very high0 Ų036.9 Ų36.90%020%0.204CC..EExtended strand (participates in β ladder)trans-101.1140.4174.8-74.8-83.9000112.1L6 I194 G201 V202 C205 F222 A223 I225 T229 M233 L238L6-F196 HydrophobicContact CB-CD1 4.15Å; L6-F196 HydrophobicContact CB-CE1 4.32Å; L6-F196 HydrophobicContact CD1-CD1 3.92Å; L6-F196 HydrophobicContact CD1-CE1 3.33Å; L6-F196 HydrophobicContact CD1-CE2 4.16Å; L6-F196 HydrophobicContact CD1-CZ 3.48Å; L6-F196 VanDerWaalsContact CD1-CZ 3.48Å; L6-F196 HydrophobicContact CG-CE1 4.46Å; I194-F196 HydrophobicContact CG2-CD2 4.22Å; I194-F196 HydrophobicContact CG2-CE2 3.82Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å; F196-G201 WeakPolarHBondContact CE1-O 3.39Å; F196-V202 HydrophobicContact CB-CG2 3.89Å; F196-V202 HydrophobicContact CD1-CB 4.27Å; F196-V202 HydrophobicContact CD1-CG2 3.69Å; F196-V202 HydrophobicContact CD2-CG2 4.36Å; F196-V202 HydrophobicContact CE1-CB 4.41Å; F196-V202 HydrophobicContact CE1-CG2 4.26Å; F196-V202 HydrophobicContact CG-CG2 3.73Å; F196-C205 HydrophobicContact CE1-CB 3.95Å; F196-C205 HydrophobicContact CZ-CB 4.41Å; F196-F222 HydrophobicContact CD2-CD1 4.44Å; F196-F222 AromaticContact CE2-CD1 3.95Å; F196-F222 HydrophobicContact CE2-CD1 3.95Å; F196-F222 HydrophobicContact CE2-CE1 4.04Å; F196-A223 PolarHBondContact N-O 2.92Å; F196-I225 PolarHBondContact O-N 2.77Å; F196-T229 HydrophobicContact CB-CG2 3.6Å; F196-T229 WeakPolarHBondContact O-CG2 3.44Å; F196-M233 HydrophobicContact CB-SD 3.88Å; F196-M233 HydrophobicContact CD2-CE 3.64Å; F196-M233 HydrophobicContact CD2-CG 4.31Å; F196-M233 HydrophobicContact CD2-SD 3.9Å; F196-M233 HydrophobicContact CE2-CE 4.3Å; F196-M233 HydrophobicContact CG-SD 4.24Å; F196-L238 HydrophobicContact CE2-CD1 4.45Å
197F96.8Very high95.7Very high35 Ų3538.4 Ų38.415%0.15420%0.203CC..  trans-109.6-9.1-174.6-74-104.3000114.5L5 L6 K7 Y19 A195 I225 L252L5-F197 HydrophobicContact CB-CE2 4.15Å; L5-F197 HydrophobicContact CD2-CE2 4.03Å; L5-F197 HydrophobicContact CD2-CZ 4.21Å; L6-F197 WeakPolarHBondContact O-CD2 3.19Å; K7-F197 HydrophobicContact CB-CB 3.84Å; K7-F197 HydrophobicContact CB-CD1 4.1Å; K7-F197 HydrophobicContact CB-CD2 3.57Å; K7-F197 HydrophobicContact CB-CE2 4.12Å; K7-F197 HydrophobicContact CB-CG 3.55Å; K7-F197 HydrophobicContact CD-CD1 3.96Å; K7-F197 HydrophobicContact CD-CD2 4.15Å; K7-F197 HydrophobicContact CD-CE1 3.67Å; K7-F197 HydrophobicContact CD-CE2 3.87Å; K7-F197 HydrophobicContact CD-CG 4.19Å; K7-F197 HydrophobicContact CD-CZ 3.62Å; K7-F197 HydrophobicContact CG-CD2 4.14Å; K7-F197 HydrophobicContact CG-CE2 4.17Å; K7-F197 HydrophobicContact CG-CG 4.36Å; K7-F197 HydrophobicContact CG-CZ 4.42Å; Y19-F197 AromaticContact CD1-CE1 3.72Å; Y19-F197 HydrophobicContact CD1-CE1 3.72Å; Y19-F197 AromaticContact CD1-CZ 3.82Å; Y19-F197 HydrophobicContact CD1-CZ 3.82Å; Y19-F197 HydrophobicContact CD2-CE1 4.13Å; Y19-F197 AromaticContact CE1-CE1 3.52Å; Y19-F197 HydrophobicContact CE1-CE1 3.52Å; Y19-F197 HydrophobicContact CE1-CZ 4.09Å; Y19-F197 AromaticContact CE2-CE1 3.96Å; Y19-F197 HydrophobicContact CE2-CE1 3.96Å; Y19-F197 HydrophobicContact CG-CE1 4.03Å; Y19-F197 HydrophobicContact CG-CZ 4.05Å; Y19-F197 AromaticContact CZ-CE1 3.66Å; A195-F197 HydrophobicContact CB-CE2 4.01Å; F197-I225 VanDerWaalsContact CA-CG2 3.49Å; F197-I225 HydrophobicContact CB-CG2 4.35Å; F197-I225 HydrophobicContact CD1-CB 4Å; F197-I225 HydrophobicContact CD1-CD1 4.17Å; F197-I225 HydrophobicContact CD1-CG1 3.84Å; F197-I225 HydrophobicContact CD1-CG2 4.48Å; F197-I225 HydrophobicContact CE1-CB 4.42Å; F197-I225 HydrophobicContact CE1-CD1 3.89Å; F197-I225 HydrophobicContact CE1-CG1 4.09Å; F197-I225 HydrophobicContact CG-CB 4.35Å; F197-I225 VanDerWaalsContact O-CG2 3.29Å; F197-I225 WeakPolarHBondContact O-CG2 3.02Å; F197-L252 HydrophobicContact CE1-CD2 4.01Å; F197-L252 HydrophobicContact CE2-CD2 4.12Å; F197-L252 HydrophobicContact CZ-CD2 3.41Å; F197-L252 VanDerWaalsContact CZ-CD2 3.41Å
198S94.4Very high95.6Very high29 Ų2931.4 Ų31.420%0.20317%0.172CC..SBendtrans-161.9158.5175.6660000111.5S200 G201 V202 T229S198-S200 PolarHBondContact O-N 3.17Å; S198-G201 PolarHBondContact O-N 2.87Å; S198-G201 VanDerWaalsContact O-N 3.11Å; S198-G201 PolarHBondContact OG-N 3.24Å; S198-G201 VanDerWaalsContact OG-N 3.13Å; S198-V202 PolarHBondContact O-N 2.92Å; S198-T229 WeakPolarHBondContact CA-OG1 3.01Å; S198-T229 PolarHBondContact N-OG1 3.24Å
199P94.1Very high95.7Very high52 Ų5228.9 Ų28.934%0.33816%0.16SC..Hα-helixtrans-54.4-37.5169.8-27.735.8000113.6G201 V202 K203 T228 A232P199-G201 PolarHBondContact O-N 3.05Å; P199-V202 WeakPolarHBondContact O-CB 3.45Å; P199-V202 PolarHBondContact O-N 2.93Å; P199-K203 PolarHBondContact O-N 2.96Å; P199-T228 HydrophobicContact CG-CG2 3.82Å; P199-A232 HydrophobicContact CB-CB 3.69Å; P199-A232 HydrophobicContact CG-CB 4.01Å
200S91.8Very high95.8Very high37 Ų3731.8 Ų31.826%0.25916%0.161SC..Hα-helixtrans-63.5-40.9176.9-59.70000111.9S198 V202 K203 F204S198-S200 PolarHBondContact O-N 3.17Å; S200-V202 VanDerWaalsContact C-N 3.32Å; S200-V202 PolarHBondContact O-N 2.9Å; S200-K203 PolarHBondContact O-N 3.25Å; S200-F204 WeakPolarHBondContact O-CD2 3.42Å; S200-F204 WeakPolarHBondContact O-CG 3.03Å; S200-F204 PolarHBondContact O-N 3.23Å
201G94.3Very high95.7Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-61.1-41.4174.700000112.1F196 S198 P199 F204 C205F196-G201 WeakPolarHBondContact CE1-O 3.39Å; S198-G201 PolarHBondContact O-N 2.87Å; S198-G201 VanDerWaalsContact O-N 3.11Å; S198-G201 PolarHBondContact OG-N 3.24Å; S198-G201 VanDerWaalsContact OG-N 3.13Å; P199-G201 PolarHBondContact O-N 3.05Å; G201-F204 PolarHBondContact O-N 3.46Å; G201-C205 WeakPolarHBondContact O-CB 3.26Å; G201-C205 PolarHBondContact O-N 2.91Å; G201-C205 PolarHBondContact O-SG 3.5Å
202V95.6Very high95.7Very high2 Ų238.5 Ų38.51%0.01219%0.186CC..Hα-helixtrans-58.6-53.1173.7-178.40000110.2F196 S198 P199 S200 F204 C205 L206 T229 M233 E236F196-V202 HydrophobicContact CB-CG2 3.89Å; F196-V202 HydrophobicContact CD1-CB 4.27Å; F196-V202 HydrophobicContact CD1-CG2 3.69Å; F196-V202 HydrophobicContact CD2-CG2 4.36Å; F196-V202 HydrophobicContact CE1-CB 4.41Å; F196-V202 HydrophobicContact CE1-CG2 4.26Å; F196-V202 HydrophobicContact CG-CG2 3.73Å; S198-V202 PolarHBondContact O-N 2.92Å; P199-V202 WeakPolarHBondContact O-CB 3.45Å; P199-V202 PolarHBondContact O-N 2.93Å; S200-V202 VanDerWaalsContact C-N 3.32Å; S200-V202 PolarHBondContact O-N 2.9Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.05Å; V202-C205 PolarHBondContact O-N 3.26Å; V202-L206 HydrophobicContact CG1-CB 4.47Å; V202-L206 HydrophobicContact CG1-CD2 4.22Å; V202-L206 WeakPolarHBondContact O-CB 3.4Å; V202-L206 PolarHBondContact O-N 3.1Å; V202-T229 HydrophobicContact CG2-CG2 4.04Å; V202-M233 HydrophobicContact CB-CG 4.45Å; V202-M233 HydrophobicContact CG1-CG 4.11Å; V202-M233 HydrophobicContact CG2-CG 3.44Å; V202-M233 VanDerWaalsContact CG2-CG 3.44Å; V202-M233 HydrophobicContact CG2-SD 4.41Å; V202-E236 HydrophobicContact CG1-CG 4.19Å
203K94.1Very high95.5Very high158 Ų15837.4 Ų37.469%0.68718%0.176SC*.Hα-helixtrans-55.2-42-178.5-178.6-179.1177.7177.70113P199 S200P199-K203 PolarHBondContact O-N 2.96Å; S200-K203 PolarHBondContact O-N 3.25Å
204F93.4Very high95.3Very high44 Ų4439.3 Ų39.319%0.19320%0.196CC..Hα-helixtrans-83.8-33-175.7-62-49000113.6L36 T171 E173 L177 S200 G201 V202L36-F204 HydrophobicContact CD2-CD2 3.48Å; L36-F204 VanDerWaalsContact CD2-CD2 3.48Å; L36-F204 HydrophobicContact CD2-CE2 3.61Å; T171-F204 HydrophobicContact CG2-CE2 4.07Å; E173-F204 HydrophobicContact CB-CB 4.21Å; E173-F204 HydrophobicContact CB-CD1 3.89Å; E173-F204 HydrophobicContact CB-CE1 4.41Å; E173-F204 HydrophobicContact CB-CG 3.98Å; E173-F204 HydrophobicContact CG-CB 4.11Å; E173-F204 HydrophobicContact CG-CG 4.44Å; L177-F204 HydrophobicContact CD2-CB 4.17Å; S200-F204 WeakPolarHBondContact O-CD2 3.42Å; S200-F204 WeakPolarHBondContact O-CG 3.03Å; S200-F204 PolarHBondContact O-N 3.23Å; G201-F204 PolarHBondContact O-N 3.46Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.05Å
205C94.5Very high95.1Very high0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-97.2-23.3-173.5-48.30000114.4L6 V35 L177 L181 F196 G201 V202 E207 A208 V209L6-C205 HydrophobicContact CD1-CB 3.89Å; V35-C205 WeakPolarHBondContact CB-SG 3.25Å; V35-C205 WeakPolarHBondContact CG1-SG 3.33Å; L177-C205 HydrophobicContact CD2-CB 4.34Å; L177-C205 VanDerWaalsContact CD2-SG 3.59Å; L181-C205 HydrophobicContact CD1-CB 4.47Å; F196-C205 HydrophobicContact CE1-CB 3.95Å; F196-C205 HydrophobicContact CZ-CB 4.41Å; G201-C205 WeakPolarHBondContact O-CB 3.26Å; G201-C205 PolarHBondContact O-N 2.91Å; G201-C205 PolarHBondContact O-SG 3.5Å; V202-C205 PolarHBondContact O-N 3.26Å; C205-E207 PolarHBondContact O-N 2.93Å; C205-A208 PolarHBondContact O-N 3.01Å; C205-V209 HydrophobicContact CB-CG2 4.37Å; C205-V209 WeakPolarHBondContact O-CG2 3.36Å; C205-V209 PolarHBondContact O-N 3.46Å
206L94.1Very high94.9Very high5 Ų551.2 Ų51.23%0.02626%0.257CS..Hα-helixtrans-61.4-41.5-164.2179.756.9000113.3V202 V209 R210 E236 L238V202-L206 HydrophobicContact CG1-CB 4.47Å; V202-L206 HydrophobicContact CG1-CD2 4.22Å; V202-L206 WeakPolarHBondContact O-CB 3.4Å; V202-L206 PolarHBondContact O-N 3.1Å; L206-V209 PolarHBondContact O-N 3.19Å; L206-R210 HydrophobicContact CD1-CG 4.18Å; L206-R210 HydrophobicContact CG-CG 4.48Å; L206-R210 WeakPolarHBondContact O-CB 3.32Å; L206-R210 VanDerWaalsContact O-CG 3.31Å; L206-R210 WeakPolarHBondContact O-CG 3.47Å; L206-R210 PolarHBondContact O-N 2.81Å; L206-E236 HydrophobicContact CD2-CB 3.31Å; L206-E236 HydrophobicContact CD2-CG 3.68Å; L206-L238 HydrophobicContact CD1-CD1 3.57Å; L206-L238 HydrophobicContact CD1-CD2 3.91Å; L206-L238 HydrophobicContact CD1-CG 3.89Å; L206-L238 HydrophobicContact CD2-CD1 4.33Å; L206-L238 HydrophobicContact CD2-CG 4.34Å
207E94.5Very high94.7Very high142 Ų14252.7 Ų52.766%0.66427%0.265SS*.Hα-helixtrans-63.8-44.8178.8-168.2-172.4153.200111.6C205 R210 R211C205-E207 PolarHBondContact O-N 2.93Å; E207-R210 PolarHBondContact O-N 3.37Å; E207-R211 WeakPolarHBondContact O-CB 3.35Å; E207-R211 PolarHBondContact O-N 3.32Å
208A95.5Very high94.6Very high5 Ų558.1 Ų58.14%0.04130%0.296CS..Hα-helixtrans-62.3-44.4176.300000111.3E178 L181 C205 R210 R211 L212E178-A208 WeakPolarHBondContact OE2-CB 3.39Å; L181-A208 HydrophobicContact CD1-CB 3.64Å; C205-A208 PolarHBondContact O-N 3.01Å; A208-R210 PolarHBondContact O-N 2.6Å; A208-R211 PolarHBondContact O-N 2.89Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 VanDerWaalsContact O-CG 3.23Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.84Å
209V96.2Very high94.6Very high0 Ų062.7 Ų62.70%031%0.313CS..Hα-helixtrans-60.1-45.5175.5169.20000111.3L6 L181 I194 C205 L206 L212 S213 L217 F222L6-V209 HydrophobicContact CD1-CG2 4.31Å; L181-V209 HydrophobicContact CD1-CG2 4.48Å; L181-V209 HydrophobicContact CD2-CG2 4.34Å; I194-V209 HydrophobicContact CD1-CG1 3.47Å; I194-V209 VanDerWaalsContact CD1-CG1 3.47Å; I194-V209 HydrophobicContact CD1-CG2 4.24Å; C205-V209 HydrophobicContact CB-CG2 4.37Å; C205-V209 WeakPolarHBondContact O-CG2 3.36Å; C205-V209 PolarHBondContact O-N 3.46Å; L206-V209 PolarHBondContact O-N 3.19Å; V209-L212 PolarHBondContact O-N 3.05Å; V209-S213 VanDerWaalsContact O-CB 3.24Å; V209-S213 WeakPolarHBondContact O-CB 3.48Å; V209-S213 PolarHBondContact O-N 3.39Å; V209-S213 PolarHBondContact O-OG 3.26Å; V209-L217 HydrophobicContact CG1-CD1 4.25Å; V209-F222 HydrophobicContact CG1-CE1 4.29Å; V209-F222 HydrophobicContact CG1-CZ 4.25Å
210R95.9Very high94.8Very high91 Ų9160.5 Ų60.534%0.34330%0.299SS..Hα-helixtrans-58-49.9176.5-78.5174.7165.7154.20.4111.8L206 E207 A208 L212 G214 L217 E236L206-R210 HydrophobicContact CD1-CG 4.18Å; L206-R210 HydrophobicContact CG-CG 4.48Å; L206-R210 WeakPolarHBondContact O-CB 3.32Å; L206-R210 VanDerWaalsContact O-CG 3.31Å; L206-R210 WeakPolarHBondContact O-CG 3.47Å; L206-R210 PolarHBondContact O-N 2.81Å; E207-R210 PolarHBondContact O-N 3.37Å; A208-R210 PolarHBondContact O-N 2.6Å; R210-L212 PolarHBondContact O-N 2.73Å; R210-G214 PolarHBondContact O-N 3.47Å; R210-G214 VanDerWaalsContact O-N 3.07Å; R210-L217 HydrophobicContact CG-CD1 4.31Å; R210-L217 HydrophobicContact CG-CD2 3.82Å; R210-E236 PolarHBondContact NH2-O 3.16Å
211R96.3Very high95.1Very high134 Ų13462.6 Ų62.651%0.50630%0.304SS..Hα-helixtrans-62.3-43-179.7-178.9174.660.5-122.8-4.2112.1E178 E207 A208E178-R211 IonicContact OE1-CZ 2.69Å; E178-R211 IonicContact OE1-NE 2.73Å; E178-R211 IonicContact OE1-NH2 3.68Å; E178-R211 PolarHBondContact OE1-NH2 3.15Å; E178-R211 IonicContact OE2-NH2 3.52Å; E178-R211 PolarHBondContact OE2-NH2 3.16Å; E207-R211 WeakPolarHBondContact O-CB 3.35Å; E207-R211 PolarHBondContact O-N 3.32Å; A208-R211 PolarHBondContact O-N 2.89Å
212L96.6Very high95.3Very high47 Ų4762.9 Ų62.925%0.24631%0.305CS..Hα-helixtrans-76.2-31.9-177.2-69169.1000113.1L181 K182 F185 A208 V209 R210L181-L212 HydrophobicContact CB-CD1 3.58Å; K182-L212 HydrophobicContact CB-CD2 4.44Å; K182-L212 HydrophobicContact CG-CD2 4.5Å; F185-L212 HydrophobicContact CB-CB 4.38Å; F185-L212 HydrophobicContact CD1-CB 3.96Å; F185-L212 HydrophobicContact CD2-CB 3.86Å; F185-L212 HydrophobicContact CD2-CD1 3.85Å; F185-L212 HydrophobicContact CD2-CG 4.45Å; F185-L212 HydrophobicContact CE1-CB 4.15Å; F185-L212 HydrophobicContact CE2-CB 4.06Å; F185-L212 HydrophobicContact CE2-CD1 4.25Å; F185-L212 HydrophobicContact CG-CB 3.81Å; F185-L212 HydrophobicContact CG-CD1 4.4Å; F185-L212 HydrophobicContact CZ-CB 4.19Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 VanDerWaalsContact O-CG 3.23Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.84Å; V209-L212 PolarHBondContact O-N 3.05Å; R210-L212 PolarHBondContact O-N 2.73Å
213S94.7Very high95.4Very high4 Ų462.8 Ų62.83%0.02830%0.304CS..Hα-helixtrans-80.4-27179.1-48.70000112.7F185 V209 D215 Q216 I220F185-S213 WeakPolarHBondContact CE1-OG 3.28Å; F185-S213 WeakPolarHBondContact CZ-OG 3.31Å; V209-S213 VanDerWaalsContact O-CB 3.24Å; V209-S213 WeakPolarHBondContact O-CB 3.48Å; V209-S213 PolarHBondContact O-N 3.39Å; V209-S213 PolarHBondContact O-OG 3.26Å; S213-D215 PolarHBondContact O-N 3.2Å; S213-Q216 WeakPolarHBondContact O-CB 3.4Å; S213-Q216 PolarHBondContact O-N 3.03Å; S213-I220 VanDerWaalsContact OG-CD1 3.25Å; S213-I220 WeakPolarHBondContact OG-CD1 3.14Å
214G94.3Very high95.6Very high41 Ų4155.3 Ų55.342%0.42327%0.271SS..G310 helixtrans52.6-131-178.500000112.2R210 Q216 L217R210-G214 PolarHBondContact O-N 3.47Å; R210-G214 VanDerWaalsContact O-N 3.07Å; G214-Q216 PolarHBondContact O-N 3.01Å; G214-L217 WeakPolarHBondContact O-CB 3.47Å; G214-L217 PolarHBondContact O-N 3.23Å
215D93.6Very high95.9Very high163 Ų16353.9 Ų53.987%0.87227%0.266SS*.G310 helixtrans-65.9-21.1-179.5-62.1-27000113.3S213 L217S213-D215 PolarHBondContact O-N 3.2Å; D215-L217 PolarHBondContact O-N 2.88Å
216Q94.5Very high96Very high86 Ų8654.4 Ų54.440%0.40227%0.271SS..G310 helixtrans-79.9-1.9179.8-55.1-167.9-86.600113.3T190 S213 G214 N218 E219T190-Q216 HydrophobicContact CG2-CB 3.91Å; T190-Q216 PolarHBondContact OG1-OE1 3.01Å; S213-Q216 WeakPolarHBondContact O-CB 3.4Å; S213-Q216 PolarHBondContact O-N 3.03Å; G214-Q216 PolarHBondContact O-N 3.01Å; Q216-N218 PolarHBondContact O-N 3.24Å; Q216-N218 VanDerWaalsContact O-N 3.13Å; Q216-E219 PolarHBondContact NE2-OE2 3.14Å; Q216-E219 VanDerWaalsContact O-CB 3.31Å; Q216-E219 WeakPolarHBondContact O-CB 3.39Å; Q216-E219 PolarHBondContact O-N 3.35Å
217L94.7Very high96.1Very high31 Ų3157.8 Ų57.816%0.16229%0.293CS..G310 helixtrans-53.7-36.6179.9-174.271.1000112.7V209 R210 G214 D215 E219 I220 F222V209-L217 HydrophobicContact CG1-CD1 4.25Å; R210-L217 HydrophobicContact CG-CD1 4.31Å; R210-L217 HydrophobicContact CG-CD2 3.82Å; G214-L217 WeakPolarHBondContact O-CB 3.47Å; G214-L217 PolarHBondContact O-N 3.23Å; D215-L217 PolarHBondContact O-N 2.88Å; L217-E219 VanDerWaalsContact C-N 3.26Å; L217-E219 PolarHBondContact O-N 3.5Å; L217-I220 HydrophobicContact CD1-CD1 4.46Å; L217-I220 PolarHBondContact O-N 3.48Å; L217-F222 HydrophobicContact CD1-CE2 4.05Å; L217-F222 HydrophobicContact CD1-CZ 3.7Å; L217-F222 HydrophobicContact CG-CE2 4.43Å
218N93.4Very high96.2Very high150 Ų15055.9 Ų55.980%0.80229%0.291SS*.G310 helixtrans-75.4-14.2-179.7-65.2-38.2000113.4Q216Q216-N218 PolarHBondContact O-N 3.24Å; Q216-N218 VanDerWaalsContact O-N 3.13Å
219E94.7Very high96.3Very high124 Ų12456 Ų5658%0.57929%0.291SS*.G310 helixtrans-81.2-22.8175-55.118016500111.1Q216 L217Q216-E219 PolarHBondContact NE2-OE2 3.14Å; Q216-E219 VanDerWaalsContact O-CB 3.31Å; Q216-E219 WeakPolarHBondContact O-CB 3.39Å; Q216-E219 PolarHBondContact O-N 3.35Å; L217-E219 VanDerWaalsContact C-N 3.26Å; L217-E219 PolarHBondContact O-N 3.5Å
220I97.6Very high96.4Very high6 Ų660.8 Ų60.83%0.03131%0.31CS..SBendtrans-74.6128.6-177.3-55.3-178.9000110.9T190 P191 I194 S213 L217 F222T190-I220 HydrophobicContact CG2-CD1 3.75Å; T190-I220 HydrophobicContact CG2-CG1 3.72Å; P191-I220 HydrophobicContact CG-CD1 4.45Å; I194-I220 HydrophobicContact CB-CG2 4.11Å; I194-I220 HydrophobicContact CD1-CD1 3.91Å; I194-I220 HydrophobicContact CD1-CG2 3.95Å; I194-I220 HydrophobicContact CG1-CG2 3.68Å; S213-I220 VanDerWaalsContact OG-CD1 3.25Å; S213-I220 WeakPolarHBondContact OG-CD1 3.14Å; L217-I220 HydrophobicContact CD1-CD1 4.46Å; L217-I220 PolarHBondContact O-N 3.48Å; I220-F222 HydrophobicContact CB-CE2 4.03Å; I220-F222 HydrophobicContact CB-CZ 4.24Å; I220-F222 HydrophobicContact CG2-CD1 4.5Å; I220-F222 HydrophobicContact CG2-CD2 4.41Å; I220-F222 HydrophobicContact CG2-CE1 4.22Å; I220-F222 HydrophobicContact CG2-CE2 4.12Å; I220-F222 HydrophobicContact CG2-CZ 4.02Å; I220-F222 PolarHBondContact O-N 3.28Å
221K98.3Very high96.5Very high82 Ų8260.4 Ų60.436%0.35731%0.314SS..EExtended strand (participates in β ladder)trans-83107.5169.4-57.3-51.8-175.8-173.90111.1A192 S193 I194 S241 L260A192-K221 PolarHBondContact O-N 2.83Å; S193-K221 WeakPolarHBondContact CA-O 3.44Å; S193-K221 VanDerWaalsContact CB-O 3.27Å; S193-K221 WeakPolarHBondContact CB-O 3.47Å; S193-K221 PolarHBondContact OG-O 3.32Å; I194-K221 PolarHBondContact N-O 3.5Å; I194-K221 VanDerWaalsContact N-O 3.09Å; K221-S241 WeakPolarHBondContact CA-OG 3.49Å; K221-L260 HydrophobicContact CB-CD2 4.12Å; K221-L260 HydrophobicContact CG-CD2 3.7Å
222F98.5Very high96.5Very high6 Ų655.1 Ų55.13%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-82.4124178.8-77.6-71.7000111.4I194 F196 V209 L217 I220 M233 L238 S241 C242I194-F222 HydrophobicContact CB-CD1 4.09Å; I194-F222 HydrophobicContact CB-CE1 4.01Å; I194-F222 HydrophobicContact CD1-CE1 4.12Å; I194-F222 HydrophobicContact CG2-CE1 4.37Å; I194-F222 WeakPolarHBondContact O-CA 3.38Å; F196-F222 HydrophobicContact CD2-CD1 4.44Å; F196-F222 AromaticContact CE2-CD1 3.95Å; F196-F222 HydrophobicContact CE2-CD1 3.95Å; F196-F222 HydrophobicContact CE2-CE1 4.04Å; V209-F222 HydrophobicContact CG1-CE1 4.29Å; V209-F222 HydrophobicContact CG1-CZ 4.25Å; L217-F222 HydrophobicContact CD1-CE2 4.05Å; L217-F222 HydrophobicContact CD1-CZ 3.7Å; L217-F222 HydrophobicContact CG-CE2 4.43Å; I220-F222 HydrophobicContact CB-CE2 4.03Å; I220-F222 HydrophobicContact CB-CZ 4.24Å; I220-F222 HydrophobicContact CG2-CD1 4.5Å; I220-F222 HydrophobicContact CG2-CD2 4.41Å; I220-F222 HydrophobicContact CG2-CE1 4.22Å; I220-F222 HydrophobicContact CG2-CE2 4.12Å; I220-F222 HydrophobicContact CG2-CZ 4.02Å; I220-F222 PolarHBondContact O-N 3.28Å; F222-M233 HydrophobicContact CB-CE 3.55Å; F222-M233 HydrophobicContact CD1-CE 4.09Å; F222-M233 HydrophobicContact CG-CE 4.18Å; F222-L238 HydrophobicContact CD1-CD1 3.92Å; F222-L238 HydrophobicContact CD2-CD1 4.49Å; F222-L238 HydrophobicContact CD2-CD2 4.02Å; F222-L238 HydrophobicContact CE1-CD1 4.04Å; F222-L238 HydrophobicContact CE1-CD2 4.39Å; F222-L238 HydrophobicContact CE2-CD2 3.7Å; F222-L238 HydrophobicContact CG-CD1 4.15Å; F222-L238 HydrophobicContact CG-CD2 4.5Å; F222-L238 HydrophobicContact CZ-CD1 4.39Å; F222-L238 HydrophobicContact CZ-CD2 3.9Å; F222-S241 PolarHBondContact N-OG 3.45Å; F222-S241 WeakPolarHBondContact O-CB 3.26Å; F222-S241 PolarHBondContact O-N 3.49Å; F222-C242 PolarHBondContact O-N 2.96Å
223A98.6Very high96.6Very high0 Ų052.9 Ų52.90%029%0.288CS..EExtended strand (participates in β ladder)trans-115.5142.8-179.300000111.4I194 A195 F196 C242 L252 I256I194-A223 PolarHBondContact O-N 3.27Å; A195-A223 CarbonylContact C-O 3.39Å; A195-A223 WeakPolarHBondContact CA-O 3.35Å; A195-A223 HydrophobicContact CB-CB 4.04Å; F196-A223 PolarHBondContact N-O 2.92Å; A223-C242 WeakPolarHBondContact CA-O 3.35Å; A223-C242 WeakPolarHBondContact CB-SG 3.36Å; A223-L252 HydrophobicContact CB-CD1 4.3Å; A223-I256 HydrophobicContact CB-CD1 3.95Å; A223-I256 HydrophobicContact CB-CG1 3.68Å
224A98.6Very high96.7Very high0 Ų055.3 Ų55.30%031%0.308CS..EExtended strand (participates in β ladder)trans-116.4137.6174.800000111.1G226 T229 R230 M233 V240 C242 T243 A244A224-G226 PolarHBondContact O-N 2.87Å; A224-T229 HydrophobicContact CB-CG2 4.31Å; A224-R230 HydrophobicContact CB-CB 3.79Å; A224-M233 HydrophobicContact CB-SD 3.81Å; A224-V240 HydrophobicContact CB-CG1 4.25Å; A224-C242 PolarHBondContact N-O 3.17Å; A224-T243 HydrophobicContact CB-CG2 4.19Å; A224-T243 WeakPolarHBondContact O-CA 3.44Å; A224-A244 PolarHBondContact O-N 3.14Å
225I98.2Very high96.8Very high15 Ų1557.5 Ų57.58%0.07732%0.322CS..SBendtrans-65.7-16.7174.5-166.854.1000113.6Y19 F196 F197 A244 P247 L252Y19-I225 HydrophobicContact CE1-CD1 3.65Å; F196-I225 PolarHBondContact O-N 2.77Å; F197-I225 VanDerWaalsContact CA-CG2 3.49Å; F197-I225 HydrophobicContact CB-CG2 4.35Å; F197-I225 HydrophobicContact CD1-CB 4Å; F197-I225 HydrophobicContact CD1-CD1 4.17Å; F197-I225 HydrophobicContact CD1-CG1 3.84Å; F197-I225 HydrophobicContact CD1-CG2 4.48Å; F197-I225 HydrophobicContact CE1-CB 4.42Å; F197-I225 HydrophobicContact CE1-CD1 3.89Å; F197-I225 HydrophobicContact CE1-CG1 4.09Å; F197-I225 HydrophobicContact CG-CB 4.35Å; F197-I225 VanDerWaalsContact O-CG2 3.29Å; F197-I225 WeakPolarHBondContact O-CG2 3.02Å; I225-A244 HydrophobicContact CD1-CB 4.48Å; I225-P247 HydrophobicContact CD1-CB 4.34Å; I225-P247 HydrophobicContact CG1-CB 3.91Å; I225-L252 HydrophobicContact CD1-CB 4.16Å; I225-L252 HydrophobicContact CD1-CD2 4.16Å
226G97.4Very high96.9Very high10 Ų1054.2 Ų54.210%0.10330%0.302CS..SBendtrans179.5177.6-179.700000113.4A224 T228 T229 R230A224-G226 PolarHBondContact O-N 2.87Å; G226-T228 PolarHBondContact O-N 3.27Å; G226-T229 PolarHBondContact O-N 3.28Å; G226-T229 VanDerWaalsContact O-N 3.16Å; G226-R230 PolarHBondContact O-N 3.49Å
227P96.6Very high96.9Very high76 Ų7653.1 Ų53.149%0.49431%0.313SS..Hα-helixtrans-58.7-43.5-168.7-27.135.2000114.2T229 R230 D231P227-T229 VanDerWaalsContact C-N 3.29Å; P227-T229 PolarHBondContact O-N 3.1Å; P227-R230 WeakPolarHBondContact O-CB 3.43Å; P227-R230 PolarHBondContact O-N 2.94Å; P227-D231 PolarHBondContact O-N 3.32Å
228T96.4Very high96.9Very high102 Ų10252.3 Ų52.363%0.62631%0.309SS*.Hα-helixtrans-62.9-36.8-179.2-48.50000112.3P199 G226 A232P199-T228 HydrophobicContact CG-CG2 3.82Å; G226-T228 PolarHBondContact O-N 3.27Å; T228-A232 PolarHBondContact O-N 3.32Å; T228-A232 VanDerWaalsContact O-N 3.16Å
229T97.1Very high96.9Very high7 Ų750.2 Ų50.24%0.04331%0.305CS..Hα-helixtrans-73.3-40.5176.6-53.20000111F196 S198 V202 A224 G226 P227 D231 A232 M233F196-T229 HydrophobicContact CB-CG2 3.6Å; F196-T229 WeakPolarHBondContact O-CG2 3.44Å; S198-T229 WeakPolarHBondContact CA-OG1 3.01Å; S198-T229 PolarHBondContact N-OG1 3.24Å; V202-T229 HydrophobicContact CG2-CG2 4.04Å; A224-T229 HydrophobicContact CB-CG2 4.31Å; G226-T229 PolarHBondContact O-N 3.28Å; G226-T229 VanDerWaalsContact O-N 3.16Å; P227-T229 VanDerWaalsContact C-N 3.29Å; P227-T229 PolarHBondContact O-N 3.1Å; T229-D231 VanDerWaalsContact C-N 3.31Å; T229-D231 PolarHBondContact O-N 3Å; T229-A232 PolarHBondContact O-N 3.39Å; T229-M233 HydrophobicContact CG2-SD 4.09Å; T229-M233 VanDerWaalsContact O-CG 3.25Å; T229-M233 WeakPolarHBondContact O-CG 3.47Å; T229-M233 PolarHBondContact O-N 3.08Å
230R98.2Very high97Very high101 Ų10146 Ų4638%0.38129%0.287SS..Hα-helixtrans-55.7-48.3173.2175.5-15967.9-165.6-1.8110.8A224 G226 P227 A232 M233 A234 V240 T243A224-R230 HydrophobicContact CB-CB 3.79Å; G226-R230 PolarHBondContact O-N 3.49Å; P227-R230 WeakPolarHBondContact O-CB 3.43Å; P227-R230 PolarHBondContact O-N 2.94Å; R230-A232 VanDerWaalsContact C-N 3.31Å; R230-A232 PolarHBondContact O-N 2.95Å; R230-M233 WeakPolarHBondContact O-CB 3.48Å; R230-M233 PolarHBondContact O-N 3.32Å; R230-A234 WeakPolarHBondContact O-CB 3.28Å; R230-A234 PolarHBondContact O-N 3.48Å; R230-V240 HydrophobicContact CB-CG1 4.5Å; R230-V240 HydrophobicContact CG-CB 4.15Å; R230-V240 HydrophobicContact CG-CG1 4Å; R230-V240 HydrophobicContact CG-CG2 4.04Å; R230-T243 HydrophobicContact CB-CG2 4.27Å; R230-T243 WeakPolarHBondContact CD-OG1 3.27Å
231D97.8Very high97Very high83 Ų8348 Ų4844%0.44430%0.302SS..Hα-helixtrans-64.8-38.2-177.7-61.7-14.9000111P227 T229 A234 A235P227-D231 PolarHBondContact O-N 3.32Å; T229-D231 VanDerWaalsContact C-N 3.31Å; T229-D231 PolarHBondContact O-N 3Å; D231-A234 PolarHBondContact O-N 3.31Å; D231-A235 WeakPolarHBondContact O-CB 3.35Å; D231-A235 PolarHBondContact O-N 2.94Å
232A97.2Very high97Very high24 Ų2445 Ų4520%0.19829%0.291CS..Hα-helixtrans-64.2-40.5173.100000112.8P199 T228 T229 R230 E236P199-A232 HydrophobicContact CB-CB 3.69Å; P199-A232 HydrophobicContact CG-CB 4.01Å; T228-A232 PolarHBondContact O-N 3.32Å; T228-A232 VanDerWaalsContact O-N 3.16Å; T229-A232 PolarHBondContact O-N 3.39Å; R230-A232 VanDerWaalsContact C-N 3.31Å; R230-A232 PolarHBondContact O-N 2.95Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 2.88Å
233M97.7Very high97Very high0 Ų046.7 Ų46.70%030%0.302CS..Hα-helixtrans-65.7-43.9175.4-66.1165.269.500111.6F196 V202 F222 A224 T229 R230 E236 G237 L238 V240F196-M233 HydrophobicContact CB-SD 3.88Å; F196-M233 HydrophobicContact CD2-CE 3.64Å; F196-M233 HydrophobicContact CD2-CG 4.31Å; F196-M233 HydrophobicContact CD2-SD 3.9Å; F196-M233 HydrophobicContact CE2-CE 4.3Å; F196-M233 HydrophobicContact CG-SD 4.24Å; V202-M233 HydrophobicContact CB-CG 4.45Å; V202-M233 HydrophobicContact CG1-CG 4.11Å; V202-M233 HydrophobicContact CG2-CG 3.44Å; V202-M233 VanDerWaalsContact CG2-CG 3.44Å; V202-M233 HydrophobicContact CG2-SD 4.41Å; F222-M233 HydrophobicContact CB-CE 3.55Å; F222-M233 HydrophobicContact CD1-CE 4.09Å; F222-M233 HydrophobicContact CG-CE 4.18Å; A224-M233 HydrophobicContact CB-SD 3.81Å; T229-M233 HydrophobicContact CG2-SD 4.09Å; T229-M233 VanDerWaalsContact O-CG 3.25Å; T229-M233 WeakPolarHBondContact O-CG 3.47Å; T229-M233 PolarHBondContact O-N 3.08Å; R230-M233 WeakPolarHBondContact O-CB 3.48Å; R230-M233 PolarHBondContact O-N 3.32Å; M233-E236 PolarHBondContact O-N 3.11Å; M233-G237 PolarHBondContact O-N 3.33Å; M233-L238 HydrophobicContact CB-CB 4.25Å; M233-L238 HydrophobicContact CB-CD1 4.17Å; M233-L238 HydrophobicContact CE-CD1 4.16Å; M233-L238 HydrophobicContact CG-CD1 4.36Å; M233-L238 WeakPolarHBondContact O-CB 3.32Å; M233-L238 PolarHBondContact O-N 3.1Å; M233-V240 HydrophobicContact CB-CG2 3.67Å; M233-V240 HydrophobicContact CE-CG1 4.39Å; M233-V240 HydrophobicContact CE-CG2 4.17Å; M233-V240 HydrophobicContact SD-CG2 4.4Å
234A97.1Very high97Very high54 Ų5446.9 Ų46.945%0.44630%0.304SS..Hα-helixtrans-65.2-38.2178.600000112.1R230 D231 E236 G237R230-A234 WeakPolarHBondContact O-CB 3.28Å; R230-A234 PolarHBondContact O-N 3.48Å; D231-A234 PolarHBondContact O-N 3.31Å; A234-E236 PolarHBondContact O-N 3.1Å; A234-G237 WeakPolarHBondContact O-CA 3.33Å; A234-G237 PolarHBondContact O-N 3.41Å
235A97.1Very high96.8Very high87 Ų8754.5 Ų54.572%0.71934%0.339SS*.Hα-helixtrans-61.1-29.7174.900000112.7D231 G237D231-A235 WeakPolarHBondContact O-CB 3.35Å; D231-A235 PolarHBondContact O-N 2.94Å; A235-G237 VanDerWaalsContact C-N 3.27Å
236E96.2Very high96.7Very high95 Ų9559 Ų5944%0.44436%0.358SS..THydrogen-bonded Turntrans-83.90.7173.4-66.3-67154.200113.1V202 L206 R210 A232 M233 A234V202-E236 HydrophobicContact CG1-CG 4.19Å; L206-E236 HydrophobicContact CD2-CB 3.31Å; L206-E236 HydrophobicContact CD2-CG 3.68Å; R210-E236 PolarHBondContact NH2-O 3.16Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 2.88Å; M233-E236 PolarHBondContact O-N 3.11Å; A234-E236 PolarHBondContact O-N 3.1Å
237G94.3Very high96.6Very high62 Ų6262.9 Ų62.964%0.63938%0.381SS*.THydrogen-bonded Turntrans8217.6179.300000114.8M233 A234 A235M233-G237 PolarHBondContact O-N 3.33Å; A234-G237 WeakPolarHBondContact O-CA 3.33Å; A234-G237 PolarHBondContact O-N 3.41Å; A235-G237 VanDerWaalsContact C-N 3.27Å
238L93.6Very high96.5Very high15 Ų1561.3 Ų61.38%0.07937%0.371CS..  trans-78.4139.2170.8-72.8-178.6000111.8F196 L206 F222 M233 V240F196-L238 HydrophobicContact CE2-CD1 4.45Å; L206-L238 HydrophobicContact CD1-CD1 3.57Å; L206-L238 HydrophobicContact CD1-CD2 3.91Å; L206-L238 HydrophobicContact CD1-CG 3.89Å; L206-L238 HydrophobicContact CD2-CD1 4.33Å; L206-L238 HydrophobicContact CD2-CG 4.34Å; F222-L238 HydrophobicContact CD1-CD1 3.92Å; F222-L238 HydrophobicContact CD2-CD1 4.49Å; F222-L238 HydrophobicContact CD2-CD2 4.02Å; F222-L238 HydrophobicContact CE1-CD1 4.04Å; F222-L238 HydrophobicContact CE1-CD2 4.39Å; F222-L238 HydrophobicContact CE2-CD2 3.7Å; F222-L238 HydrophobicContact CG-CD1 4.15Å; F222-L238 HydrophobicContact CG-CD2 4.5Å; F222-L238 HydrophobicContact CZ-CD1 4.39Å; F222-L238 HydrophobicContact CZ-CD2 3.9Å; M233-L238 HydrophobicContact CB-CB 4.25Å; M233-L238 HydrophobicContact CB-CD1 4.17Å; M233-L238 HydrophobicContact CE-CD1 4.16Å; M233-L238 HydrophobicContact CG-CD1 4.36Å; M233-L238 WeakPolarHBondContact O-CB 3.32Å; M233-L238 PolarHBondContact O-N 3.1Å; L238-V240 PolarHBondContact O-N 3.17Å
239C93.4Very high96.5Very high106 Ų10656.7 Ų56.772%0.71634%0.343SS*.  trans-7999.9167-172.10000109.7S241C239-S241 PolarHBondContact O-N 3.31Å
240V97.3Very high96.6Very high35 Ų3561.2 Ų61.221%0.21236%0.363CS..EExtended strand (participates in β ladder)trans-74110.9178.6-170.50000109.4A224 R230 M233 L238 C242A224-V240 HydrophobicContact CB-CG1 4.25Å; R230-V240 HydrophobicContact CB-CG1 4.5Å; R230-V240 HydrophobicContact CG-CB 4.15Å; R230-V240 HydrophobicContact CG-CG1 4Å; R230-V240 HydrophobicContact CG-CG2 4.04Å; M233-V240 HydrophobicContact CB-CG2 3.67Å; M233-V240 HydrophobicContact CE-CG1 4.39Å; M233-V240 HydrophobicContact CE-CG2 4.17Å; M233-V240 HydrophobicContact SD-CG2 4.4Å; L238-V240 PolarHBondContact O-N 3.17Å; V240-C242 VanDerWaalsContact CG1-O 3.25Å; V240-C242 WeakPolarHBondContact CG1-O 3.44Å
241S98.3Very high96.6Very high49 Ų4959 Ų5934%0.34336%0.357SS..EExtended strand (participates in β ladder)trans-75.1-32.9-177-54.60000112.8K221 F222 C239K221-S241 WeakPolarHBondContact CA-OG 3.49Å; F222-S241 PolarHBondContact N-OG 3.45Å; F222-S241 WeakPolarHBondContact O-CB 3.26Å; F222-S241 PolarHBondContact O-N 3.49Å; C239-S241 PolarHBondContact O-N 3.31Å
242C97.8Very high96.6Very high18 Ų1855 Ų5512%0.12234%0.336CS..EExtended strand (participates in β ladder)trans-154.4160.3174.965.80000112.5F222 A223 A224 V240 A255 A259F222-C242 PolarHBondContact O-N 2.96Å; A223-C242 WeakPolarHBondContact CA-O 3.35Å; A223-C242 WeakPolarHBondContact CB-SG 3.36Å; A224-C242 PolarHBondContact N-O 3.17Å; V240-C242 VanDerWaalsContact CG1-O 3.25Å; V240-C242 WeakPolarHBondContact CG1-O 3.44Å; C242-A255 HydrophobicContact CB-CB 4.05Å; C242-A259 HydrophobicContact CB-CB 4.15Å
243T98.4Very high96.6Very high42 Ų4254 Ų5426%0.25833%0.327SS..EExtended strand (participates in β ladder)trans-136.1132.6173.5-58.40000107.9A224 R230 E245A224-T243 HydrophobicContact CB-CG2 4.19Å; A224-T243 WeakPolarHBondContact O-CA 3.44Å; R230-T243 HydrophobicContact CB-CG2 4.27Å; R230-T243 WeakPolarHBondContact CD-OG1 3.27Å; T243-E245 PolarHBondContact O-N 3.17Å
244A97.8Very high96.7Very high4 Ų455.9 Ų55.93%0.03334%0.343CS..  trans-63.4135.4176.300000110.2A224 I225 K246 H251 L252A224-A244 PolarHBondContact O-N 3.14Å; I225-A244 HydrophobicContact CD1-CB 4.48Å; A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 VanDerWaalsContact CB-O 3.3Å; A244-K246 WeakPolarHBondContact CB-O 3.36Å; A244-K246 PolarHBondContact O-N 3.21Å; A244-H251 HydrophobicContact CB-CB 4.22Å; A244-L252 HydrophobicContact CB-CB 4.06Å; A244-L252 HydrophobicContact CB-CD1 4.12Å
245E95.9Very high96.7Very high159 Ų15954.2 Ų54.274%0.74333%0.33SS*.SBendtrans-62.7-37.6177.6-173.4-169.4157.800111.3T243 H251T243-E245 PolarHBondContact O-N 3.17Å; E245-H251 IonicContact OE2-CD2 3.37Å
246K95.7Very high96.8Very high109 Ų10950.1 Ų50.147%0.47430%0.295SS..SBendtrans-130.1150.8173.2-61.8178.5-171.6160.80108.9A244 T248 H251A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 VanDerWaalsContact CB-O 3.3Å; A244-K246 WeakPolarHBondContact CB-O 3.36Å; A244-K246 PolarHBondContact O-N 3.21Å; K246-T248 HydrophobicContact CB-CG2 4.1Å; K246-T248 PolarHBondContact O-N 3.33Å; K246-H251 WeakPolarHBondContact O-CB 3.44Å
247P94.1Very high96.8Very high92 Ų9246.1 Ų46.160%0.59728%0.279SS*.SBendtrans-7761.1179.733.6-36.9000111.3Y19 I225Y19-P247 PolarHBondContact OH-O 3Å; I225-P247 HydrophobicContact CD1-CB 4.34Å; I225-P247 HydrophobicContact CG1-CB 3.91Å
248T96.2Very high97Very high44 Ų4447.6 Ų47.627%0.2728%0.275SS..SBendtrans-128.2162.817886.30000110.7K246 E250 H251 L252K246-T248 HydrophobicContact CB-CG2 4.1Å; K246-T248 PolarHBondContact O-N 3.33Å; T248-E250 VanDerWaalsContact C-N 3.34Å; T248-E250 WeakPolarHBondContact CB-OE2 3.41Å; T248-E250 PolarHBondContact O-N 3.39Å; T248-E250 PolarHBondContact OG1-OE2 2.91Å; T248-H251 PolarHBondContact OG1-ND1 3.12Å; T248-L252 PolarHBondContact O-N 3.34Å; T248-L252 VanDerWaalsContact O-N 3.15Å
249A96.4Very high97.1Very high5 Ų547.9 Ų47.94%0.04128%0.28CS..Hα-helixtrans-62.2-42.4-178.100000112.3P18 Y19 E22 L252 A253P18-A249 HydrophobicContact CB-CB 4.07Å; Y19-A249 VanDerWaalsContact CD1-CA 3.46Å; Y19-A249 HydrophobicContact CD1-CB 3.85Å; Y19-A249 VanDerWaalsContact CE1-CA 3.45Å; Y19-A249 HydrophobicContact CE1-CB 4.09Å; Y19-A249 HydrophobicContact CG-CB 4.07Å; E22-A249 HydrophobicContact CB-CB 4.02Å; E22-A249 HydrophobicContact CG-CB 4.46Å; A249-L252 PolarHBondContact O-N 3.34Å; A249-A253 VanDerWaalsContact O-CB 3.29Å; A249-A253 WeakPolarHBondContact O-CB 3.24Å; A249-A253 PolarHBondContact O-N 3.16Å
250E97.8Very high97.2Very high101 Ų10143.9 Ų43.947%0.47225%0.251SS..Hα-helixtrans-62.5-48.7-178.2-53.179.4-175.200111.4E22 T248 A253 A254E22-E250 HydrophobicContact CG-CG 4.4Å; T248-E250 VanDerWaalsContact C-N 3.34Å; T248-E250 WeakPolarHBondContact CB-OE2 3.41Å; T248-E250 PolarHBondContact O-N 3.39Å; T248-E250 PolarHBondContact OG1-OE2 2.91Å; E250-A253 PolarHBondContact O-N 3.34Å; E250-A254 VanDerWaalsContact O-CB 3.31Å; E250-A254 WeakPolarHBondContact O-CB 3.41Å; E250-A254 PolarHBondContact O-N 3.49Å
251H98.4Very high96.7Very high54 Ų5452.5 Ų52.525%0.2529%0.289CS..Hα-helixtrans-71.4-34.1-178.2-62.581.2000111.7A244 E245 K246 T248 A255A244-H251 HydrophobicContact CB-CB 4.22Å; E245-H251 IonicContact OE2-CD2 3.37Å; K246-H251 WeakPolarHBondContact O-CB 3.44Å; T248-H251 PolarHBondContact OG1-ND1 3.12Å; H251-A255 VanDerWaalsContact O-CB 3.26Å; H251-A255 WeakPolarHBondContact O-CB 3.41Å; H251-A255 PolarHBondContact O-N 3.44Å; H251-A255 VanDerWaalsContact O-N 3.13Å
252L98.4Very high96.6Very high1 Ų152.7 Ų52.71%0.00529%0.287CS..Hα-helixtrans-68.9-46.4175-175.768.6000111.3Y19 A195 F197 A223 I225 A244 T248 A249 A255 I256Y19-L252 HydrophobicContact CD1-CB 4.36Å; Y19-L252 HydrophobicContact CD1-CD2 3.74Å; Y19-L252 HydrophobicContact CE1-CB 4.35Å; Y19-L252 HydrophobicContact CE1-CD2 4.09Å; A195-L252 HydrophobicContact CB-CD2 4.14Å; F197-L252 HydrophobicContact CE1-CD2 4.01Å; F197-L252 HydrophobicContact CE2-CD2 4.12Å; F197-L252 HydrophobicContact CZ-CD2 3.41Å; F197-L252 VanDerWaalsContact CZ-CD2 3.41Å; A223-L252 HydrophobicContact CB-CD1 4.3Å; I225-L252 HydrophobicContact CD1-CB 4.16Å; I225-L252 HydrophobicContact CD1-CD2 4.16Å; A244-L252 HydrophobicContact CB-CB 4.06Å; A244-L252 HydrophobicContact CB-CD1 4.12Å; T248-L252 PolarHBondContact O-N 3.34Å; T248-L252 VanDerWaalsContact O-N 3.15Å; A249-L252 PolarHBondContact O-N 3.34Å; L252-A255 PolarHBondContact O-N 3.15Å; L252-I256 HydrophobicContact CD1-CD1 4.03Å; L252-I256 HydrophobicContact CD1-CG1 4.4Å; L252-I256 HydrophobicContact CD2-CD1 4.29Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 HydrophobicContact CG-CG1 4.47Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 3.39Å
253A97.9Very high96.5Very high1 Ų154.5 Ų54.51%0.00830%0.295CS..Hα-helixtrans-62.1-44.8179.700000111.6E22 L23 A249 E250 A255 I256 A257E22-A253 HydrophobicContact CB-CB 3.99Å; E22-A253 HydrophobicContact CG-CB 3.66Å; L23-A253 HydrophobicContact CD2-CB 4.11Å; L23-A253 HydrophobicContact CG-CB 4.29Å; A249-A253 VanDerWaalsContact O-CB 3.29Å; A249-A253 WeakPolarHBondContact O-CB 3.24Å; A249-A253 PolarHBondContact O-N 3.16Å; E250-A253 PolarHBondContact O-N 3.34Å; A253-A255 PolarHBondContact O-N 3.44Å; A253-I256 PolarHBondContact O-N 3.5Å; A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.49Å
254A97.8Very high96.4Very high41 Ų4155.2 Ų55.234%0.33930%0.297SS..Hα-helixtrans-61.2-41.717600000112.7E250 T258E250-A254 VanDerWaalsContact O-CB 3.31Å; E250-A254 WeakPolarHBondContact O-CB 3.41Å; E250-A254 PolarHBondContact O-N 3.49Å; A254-T258 PolarHBondContact O-N 2.86Å; A254-T258 PolarHBondContact O-OG1 3.17Å
255A98.2Very high96.4Very high19 Ų1958.2 Ų58.216%0.15731%0.313CS..Hα-helixtrans-64.8-44.2177.200000112C242 H251 L252 A253 T258 A259C242-A255 HydrophobicContact CB-CB 4.05Å; H251-A255 VanDerWaalsContact O-CB 3.26Å; H251-A255 WeakPolarHBondContact O-CB 3.41Å; H251-A255 PolarHBondContact O-N 3.44Å; H251-A255 VanDerWaalsContact O-N 3.13Å; L252-A255 PolarHBondContact O-N 3.15Å; A253-A255 PolarHBondContact O-N 3.44Å; A255-T258 PolarHBondContact O-N 3.22Å; A255-A259 PolarHBondContact O-N 2.83Å; A255-A259 VanDerWaalsContact O-N 3.08Å
256I98.3Very high96.4Very high0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-65.1-45.6176.7-70.7171.1000110.7V3 L23 A195 A223 L252 A253 T258 A259 L260V3-I256 HydrophobicContact CG1-CD1 4.13Å; V3-I256 HydrophobicContact CG1-CG2 4.46Å; V3-I256 HydrophobicContact CG2-CG2 4.1Å; L23-I256 HydrophobicContact CD2-CB 4.24Å; L23-I256 HydrophobicContact CD2-CD1 4.11Å; L23-I256 HydrophobicContact CD2-CG2 4.05Å; A195-I256 HydrophobicContact CB-CD1 4.05Å; A223-I256 HydrophobicContact CB-CD1 3.95Å; A223-I256 HydrophobicContact CB-CG1 3.68Å; L252-I256 HydrophobicContact CD1-CD1 4.03Å; L252-I256 HydrophobicContact CD1-CG1 4.4Å; L252-I256 HydrophobicContact CD2-CD1 4.29Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 HydrophobicContact CG-CG1 4.47Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 3.39Å; A253-I256 PolarHBondContact O-N 3.5Å; I256-T258 VanDerWaalsContact C-N 3.27Å; I256-T258 PolarHBondContact O-N 2.99Å; I256-A259 PolarHBondContact O-N 2.93Å; I256-A259 VanDerWaalsContact O-N 3.09Å; I256-L260 HydrophobicContact CG2-CD1 3.62Å; I256-L260 HydrophobicContact CG2-CG 4.2Å; I256-L260 WeakPolarHBondContact O-CB 3.38Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.14Å
257A97.3Very high96.4Very high12 Ų1248.1 Ų48.110%0.09927%0.273CS..Hα-helixtrans-59.6-39.4179.100000111.8H26 H28 A253 L260 Q261H26-A257 HydrophobicContact CB-CB 4.21Å; H26-A257 WeakPolarHBondContact ND1-CB 3.49Å; H28-A257 WeakPolarHBondContact NE2-CA 3.42Å; A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.49Å; A257-L260 PolarHBondContact O-N 3.47Å; A257-Q261 WeakPolarHBondContact O-CG 3.22Å; A257-Q261 PolarHBondContact O-N 3.44Å
258T97.1Very high96.6Very high92 Ų9244.9 Ų44.956%0.56425%0.25SS*.Hα-helixtrans-66.8-39.4175.1-54.20000111.9A254 A255 I256 L260A254-T258 PolarHBondContact O-N 2.86Å; A254-T258 PolarHBondContact O-OG1 3.17Å; A255-T258 PolarHBondContact O-N 3.22Å; I256-T258 VanDerWaalsContact C-N 3.27Å; I256-T258 PolarHBondContact O-N 2.99Å; T258-L260 VanDerWaalsContact C-N 3.28Å; T258-L260 PolarHBondContact O-N 3.35Å
259A96.7Very high96.6Very high21 Ų2145 Ų4517%0.17425%0.249CC..Hα-helixtrans-74.2-17-179.400000114.3C242 A255 I256C242-A259 HydrophobicContact CB-CB 4.15Å; A255-A259 PolarHBondContact O-N 2.83Å; A255-A259 VanDerWaalsContact O-N 3.08Å; I256-A259 PolarHBondContact O-N 2.93Å; I256-A259 VanDerWaalsContact O-N 3.09Å
260L95.8Very high96.6Very high22 Ų2248.3 Ų48.312%0.11527%0.266CS..THydrogen-bonded Turntrans-99.9-2-179.8-70.6-179.9000113.8M1 V3 A192 K221 I256 A257 T258M1-L260 HydrophobicContact CB-CD1 4.39Å; M1-L260 HydrophobicContact CE-CB 3.81Å; M1-L260 WeakPolarHBondContact CE-O 3.22Å; M1-L260 HydrophobicContact SD-CB 3.96Å; M1-L260 HydrophobicContact SD-CD1 4.22Å; M1-L260 HydrophobicContact SD-CD2 4Å; M1-L260 HydrophobicContact SD-CG 4.3Å; V3-L260 HydrophobicContact CG2-CD1 4.16Å; A192-L260 HydrophobicContact CB-CD2 3.83Å; K221-L260 HydrophobicContact CB-CD2 4.12Å; K221-L260 HydrophobicContact CG-CD2 3.7Å; I256-L260 HydrophobicContact CG2-CD1 3.62Å; I256-L260 HydrophobicContact CG2-CG 4.2Å; I256-L260 WeakPolarHBondContact O-CB 3.38Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.14Å; A257-L260 PolarHBondContact O-N 3.47Å; T258-L260 VanDerWaalsContact C-N 3.28Å; T258-L260 PolarHBondContact O-N 3.35Å
261Q86.1Confident96.5Very high216 Ų21643.5 Ų43.5100%1.00925%0.247SC*.  trans-71.80168.5-74.4171.215.400111.1A257A257-Q261 WeakPolarHBondContact O-CG 3.22Å; A257-Q261 PolarHBondContact O-N 3.44Å

Retrieved 261 of 261 residues in 55.9 ms (Link to these results)

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