A0A4W5MCX8_9TELE Loading...

SEC22 homolog B, vesicle trafficking protein a

SNARE involved in targeting and fusion of ER-derived transport vesicles with the Golgi complex as well as Golgi-derived retrograde transport vesicles with the ER.

AlphaFold DB , UniProt , Accession A0A4W5MCX8, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 215 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
1M80.4Confident90.8Very high89 Ų8925.5 Ų25.544%0.43816%0.155SC..  0170.6064.3-166.977.800111L3 C75 E76M1-L3 HydrophobicContact CG-CD2 3.96Å; M1-L3 HydrophobicContact CG-CG 4.46Å; M1-C75 WeakPolarHBondContact O-CA 3.41Å; M1-C75 WeakPolarHBondContact O-CB 3.34Å; M1-E76 PolarHBondContact N-OE1 3.35Å; M1-E76 PolarHBondContact N-OE2 2.69Å; M1-E76 PolarHBondContact O-N 3.22Å
2V81.3Confident90.7Very high4 Ų430.4 Ų30.42%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-81.8119.2175.6178.80000110A73 C75 F79 Y87 K123 I127V2-A73 HydrophobicContact CG1-CB 4.31Å; V2-C75 HydrophobicContact CG2-CB 4.12Å; V2-F79 HydrophobicContact CG2-CD1 4.37Å; V2-F79 HydrophobicContact CG2-CE1 3.96Å; V2-F79 HydrophobicContact CG2-CZ 4.3Å; V2-Y87 HydrophobicContact CG1-CE1 4.25Å; V2-K123 HydrophobicContact CB-CG 4.47Å; V2-K123 HydrophobicContact CG1-CD 4.5Å; V2-I127 HydrophobicContact CB-CD1 4.42Å
3L85.2Confident90.6Very high33 Ų3328.7 Ų28.717%0.17317%0.172CC..EExtended strand (participates in β ladder)trans-101.9-40.6-171-64.5166.3000112.5M1 Q21 L30 M59 L74M1-L3 HydrophobicContact CG-CD2 3.96Å; M1-L3 HydrophobicContact CG-CG 4.46Å; L3-Q21 PolarHBondContact O-N 2.61Å; L3-L30 HydrophobicContact CB-CD1 4.12Å; L3-M59 HydrophobicContact CD1-CE 3.56Å; L3-M59 HydrophobicContact CD1-SD 3.71Å; L3-L74 PolarHBondContact N-O 3.05Å
4L89.4Confident90.6Very high3 Ų327.9 Ų27.92%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-132.4142.1-177.6160.173.5000109.6M20 A37 A73 L74L4-M20 HydrophobicContact CD1-CE 3.33Å; L4-M20 HydrophobicContact CD1-CG 3.38Å; L4-M20 HydrophobicContact CD1-SD 4.06Å; L4-A37 HydrophobicContact CD2-CB 3.96Å; L4-A73 CarbonylContact O-C 3.33Å; L4-A73 WeakPolarHBondContact O-CA 3.41Å; L4-L74 HydrophobicContact CB-CB 3.93Å; L4-L74 HydrophobicContact CB-CD2 4.24Å; L4-L74 HydrophobicContact CD2-CB 4.43Å; L4-L74 HydrophobicContact CG-CB 4.5Å; L4-L74 PolarHBondContact N-O 3.18Å; L4-L74 PolarHBondContact O-N 3.44Å
5T94Very high90.7Very high1 Ų127.6 Ų27.61%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-133.1134.9168.1-55.10000109A18 S19 L72 Y87 L91 I119T5-A18 CarbonylContact O-C 3.56Å; T5-A18 WeakPolarHBondContact O-CA 3.25Å; T5-A18 WeakPolarHBondContact O-CB 3.28Å; T5-S19 PolarHBondContact N-O 2.98Å; T5-S19 PolarHBondContact O-N 3.39Å; T5-L72 CarbonylContact C-O 3.57Å; T5-L72 VanDerWaalsContact CA-O 3.29Å; T5-L72 WeakPolarHBondContact CA-O 3.31Å; T5-Y87 WeakPolarHBondContact CB-OH 3.3Å; T5-Y87 HydrophobicContact CG2-CE1 4.15Å; T5-Y87 WeakPolarHBondContact CG2-OH 3.23Å; T5-Y87 PolarHBondContact OG1-OH 3.45Å; T5-L91 HydrophobicContact CG2-CD1 3.66Å; T5-I119 HydrophobicContact CG2-CG2 3.94Å
6M94.1Very high90.8Very high4 Ų425.9 Ų25.92%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-138.8136.8178.6-173.4169.858.800109.9A18 A37 K38 C41 L72M6-A18 HydrophobicContact CB-CB 4.44Å; M6-A18 HydrophobicContact CG-CB 4.33Å; M6-A37 HydrophobicContact CE-CB 3.72Å; M6-A37 WeakPolarHBondContact CE-O 3.45Å; M6-K38 HydrophobicContact SD-CG 4.44Å; M6-C41 HydrophobicContact CE-CB 4.34Å; M6-C41 WeakPolarHBondContact CE-SG 3.49Å; M6-L72 HydrophobicContact CE-CD2 3.8Å; M6-L72 PolarHBondContact N-O 2.56Å; M6-L72 PolarHBondContact O-N 3.14Å
7I96.1Very high90.8Very high0 Ų024.4 Ų24.40%015%0.146CC..EExtended strand (participates in β ladder)trans-114.7125.3173.7-54.1-178.9000106.6L16 A17 V69 C70 Y71 F95 F115 I119I7-L16 HydrophobicContact CB-CB 4.46Å; I7-L16 HydrophobicContact CG2-CB 4.2Å; I7-L16 HydrophobicContact CG2-CD1 4.24Å; I7-L16 WeakPolarHBondContact O-CB 3.37Å; I7-L16 PolarHBondContact O-N 2.92Å; I7-A17 HydrophobicContact CB-CB 4.36Å; I7-A17 HydrophobicContact CD1-CB 4.34Å; I7-A17 PolarHBondContact N-O 3.13Å; I7-A17 PolarHBondContact O-N 3.02Å; I7-V69 HydrophobicContact CG2-CG1 3.46Å; I7-V69 VanDerWaalsContact CG2-CG1 3.46Å; I7-C70 CarbonylContact C-O 3.6Å; I7-C70 VanDerWaalsContact CA-O 3.31Å; I7-C70 WeakPolarHBondContact CA-O 3.27Å; I7-Y71 HydrophobicContact CD1-CD1 3.96Å; I7-Y71 HydrophobicContact CD1-CE1 4.06Å; I7-Y71 HydrophobicContact CG1-CD1 3.93Å; I7-Y71 HydrophobicContact CG1-CE1 4.37Å; I7-Y71 HydrophobicContact CG2-CD1 3.98Å; I7-Y71 HydrophobicContact CG2-CE1 3.84Å; I7-F95 HydrophobicContact CD1-CD2 3.89Å; I7-F95 HydrophobicContact CD1-CE2 4.33Å; I7-F95 HydrophobicContact CD1-CG 4.24Å; I7-F95 HydrophobicContact CG2-CD1 4.3Å; I7-F95 HydrophobicContact CG2-CE1 4.08Å; I7-F95 HydrophobicContact CG2-CE2 4.35Å; I7-F95 HydrophobicContact CG2-CZ 4.12Å; I7-F115 HydrophobicContact CD1-CD1 3.78Å; I7-F115 HydrophobicContact CD1-CE1 3.74Å; I7-I119 HydrophobicContact CD1-CD1 4.14Å
8A95.6Very high90.8Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-139.7148.5-177.100000111.7L14 C41 C70A8-L14 CarbonylContact C-O 3.5Å; A8-L14 VanDerWaalsContact CA-O 3.25Å; A8-L14 WeakPolarHBondContact CA-O 3.37Å; A8-C41 HydrophobicContact CB-CB 3.96Å; A8-C70 PolarHBondContact N-O 3.2Å; A8-C70 PolarHBondContact O-N 2.94Å
9R95.6Very high90.6Very high31 Ų3123 Ų2312%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-76.4132.5173.2-176.116762.4-165.85.7109.8A11 D12 G13 L14 L16 V103 P104 V106R9-A11 HydrophobicContact CG-CB 4.3Å; R9-D12 IonicContact CZ-OD1 3.72Å; R9-D12 IonicContact CZ-OD2 3.47Å; R9-D12 IonicContact NE-OD1 2.93Å; R9-D12 PolarHBondContact NE-OD1 3.41Å; R9-D12 IonicContact NE-OD2 3.46Å; R9-D12 PolarHBondContact NE-OD2 3.33Å; R9-D12 IonicContact NH2-OD1 3.67Å; R9-D12 IonicContact NH2-OD2 2.69Å; R9-D12 PolarHBondContact NH2-OD2 3.08Å; R9-G13 CarbonylContact O-C 3.54Å; R9-G13 WeakPolarHBondContact O-CA 3.48Å; R9-G13 PolarHBondContact O-N 2.85Å; R9-L14 HydrophobicContact CB-CB 4.31Å; R9-L14 PolarHBondContact N-O 3.34Å; R9-L14 PolarHBondContact O-N 3.4Å; R9-L16 HydrophobicContact CB-CD1 4.34Å; R9-L16 HydrophobicContact CB-CD2 4.41Å; R9-L16 HydrophobicContact CB-CG 4.49Å; R9-V103 HydrophobicContact CG-CG1 4.29Å; R9-V103 PolarHBondContact NH1-O 3.08Å; R9-P104 PolarHBondContact NH1-O 2.99Å; R9-V106 PolarHBondContact NH1-O 2.74Å; R9-V106 PolarHBondContact NH2-O 3.25Å
10V95Very high90.2Very high21 Ų2124.9 Ų24.913%0.12715%0.148CC..THydrogen-bonded Turntrans-71.2-32.7-174.7176.80000112.1D12 L65 G68 C70V10-D12 VanDerWaalsContact C-N 3.28Å; V10-D12 PolarHBondContact O-N 3.43Å; V10-L65 HydrophobicContact CG2-CD2 3.73Å; V10-G68 WeakPolarHBondContact CB-O 3.49Å; V10-G68 WeakPolarHBondContact CG2-O 3.41Å; V10-G68 PolarHBondContact N-O 3.25Å; V10-C70 HydrophobicContact CG2-CB 4.02Å
11A91.8Very high89.1Confident95 Ų9527.3 Ų27.379%0.78516%0.158SC*.THydrogen-bonded Turntrans-60.1-35-174.700000114R9R9-A11 HydrophobicContact CG-CB 4.3Å
12D89.6Confident87.9Confident84 Ų8430.6 Ų30.645%0.44917%0.172SC..THydrogen-bonded Turntrans-137.81.5-172.758.2-11.4000113.7R9 V10 L14R9-D12 IonicContact CZ-OD1 3.72Å; R9-D12 IonicContact CZ-OD2 3.47Å; R9-D12 IonicContact NE-OD1 2.93Å; R9-D12 PolarHBondContact NE-OD1 3.41Å; R9-D12 IonicContact NE-OD2 3.46Å; R9-D12 PolarHBondContact NE-OD2 3.33Å; R9-D12 IonicContact NH2-OD1 3.67Å; R9-D12 IonicContact NH2-OD2 2.69Å; R9-D12 PolarHBondContact NH2-OD2 3.08Å; V10-D12 VanDerWaalsContact C-N 3.28Å; V10-D12 PolarHBondContact O-N 3.43Å; D12-L14 PolarHBondContact O-N 3.06Å; D12-L14 VanDerWaalsContact OD1-CB 3.27Å; D12-L14 WeakPolarHBondContact OD1-CB 3.43Å; D12-L14 PolarHBondContact OD1-N 3Å
13G89.2Confident86.8Confident8 Ų835.3 Ų35.38%0.08220%0.197CC..  trans66.320.2-174.600000113.5R9 P15 C41R9-G13 CarbonylContact O-C 3.54Å; R9-G13 WeakPolarHBondContact O-CA 3.48Å; R9-G13 PolarHBondContact O-N 2.85Å; G13-P15 VanDerWaalsContact O-CD 3.27Å; G13-P15 WeakPolarHBondContact O-CD 3.31Å; G13-C41 WeakPolarHBondContact CA-O 3.43Å
14L91.1Very high85.1Confident17 Ų1743.4 Ų43.49%0.08923%0.234CC..  trans-65.5119.9-177.4-17968.9000110.6A8 R9 D12 L16 V106 P109A8-L14 CarbonylContact C-O 3.5Å; A8-L14 VanDerWaalsContact CA-O 3.25Å; A8-L14 WeakPolarHBondContact CA-O 3.37Å; R9-L14 HydrophobicContact CB-CB 4.31Å; R9-L14 PolarHBondContact N-O 3.34Å; R9-L14 PolarHBondContact O-N 3.4Å; D12-L14 PolarHBondContact O-N 3.06Å; D12-L14 VanDerWaalsContact OD1-CB 3.27Å; D12-L14 WeakPolarHBondContact OD1-CB 3.43Å; D12-L14 PolarHBondContact OD1-N 3Å; L14-L16 HydrophobicContact CD2-CD2 4.35Å; L14-L16 HydrophobicContact CG-CD2 4.5Å; L14-L16 PolarHBondContact O-N 3.11Å; L14-V106 HydrophobicContact CD2-CG2 4.33Å; L14-P109 HydrophobicContact CD1-CB 4.26Å; L14-P109 HydrophobicContact CD1-CG 3.9Å
15P92.1Very high83.2Confident24 Ų2452.2 Ų52.216%0.15628%0.275CS..EExtended strand (participates in β ladder)trans-64.6128.6174.7-20.633.3000110.6G13 Y110G13-P15 VanDerWaalsContact O-CD 3.27Å; G13-P15 WeakPolarHBondContact O-CD 3.31Å; P15-Y110 HydrophobicContact CB-CD1 4.07Å; P15-Y110 HydrophobicContact CB-CD2 4.41Å; P15-Y110 HydrophobicContact CB-CE1 3.69Å; P15-Y110 HydrophobicContact CB-CE2 4.07Å; P15-Y110 HydrophobicContact CB-CG 4.41Å; P15-Y110 HydrophobicContact CG-CE2 4.48Å; P15-Y110 PolarHBondContact O-N 2.8Å
16L91.8Very high81.3Confident0 Ų055.3 Ų55.30%030%0.297CS..EExtended strand (participates in β ladder)trans-102-48-178.3-61.8-176.1000111.4I7 R9 L14 V69 F95 V103 V106 Y110 S111 F112I7-L16 HydrophobicContact CB-CB 4.46Å; I7-L16 HydrophobicContact CG2-CB 4.2Å; I7-L16 HydrophobicContact CG2-CD1 4.24Å; I7-L16 WeakPolarHBondContact O-CB 3.37Å; I7-L16 PolarHBondContact O-N 2.92Å; R9-L16 HydrophobicContact CB-CD1 4.34Å; R9-L16 HydrophobicContact CB-CD2 4.41Å; R9-L16 HydrophobicContact CB-CG 4.49Å; L14-L16 HydrophobicContact CD2-CD2 4.35Å; L14-L16 HydrophobicContact CG-CD2 4.5Å; L14-L16 PolarHBondContact O-N 3.11Å; L16-V69 HydrophobicContact CD1-CG1 4.1Å; L16-V69 HydrophobicContact CD1-CG2 4.28Å; L16-F95 HydrophobicContact CB-CZ 4Å; L16-F95 HydrophobicContact CD1-CE1 3.93Å; L16-F95 HydrophobicContact CD1-CZ 3.88Å; L16-V103 HydrophobicContact CD1-CG1 3.88Å; L16-V103 HydrophobicContact CD1-CG2 4.18Å; L16-V106 HydrophobicContact CD2-CG2 4Å; L16-Y110 CarbonylContact O-C 3.54Å; L16-Y110 VanDerWaalsContact O-CA 3.3Å; L16-Y110 WeakPolarHBondContact O-CA 3.36Å; L16-S111 PolarHBondContact O-N 3.43Å; L16-F112 HydrophobicContact CB-CD2 3.93Å; L16-F112 HydrophobicContact CD2-CD2 4.14Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 HydrophobicContact CG-CD2 4.48Å; L16-F112 CarbonylContact O-C 3.45Å; L16-F112 WeakPolarHBondContact O-CA 3.31Å; L16-F112 PolarHBondContact O-N 2.89Å
17A91.3Very high79.5Confident0 Ų057.6 Ų57.60%032%0.322CS..EExtended strand (participates in β ladder)trans-151.8156.417600000109.5I7 F112 F115 I119I7-A17 HydrophobicContact CB-CB 4.36Å; I7-A17 HydrophobicContact CD1-CB 4.34Å; I7-A17 PolarHBondContact N-O 3.13Å; I7-A17 PolarHBondContact O-N 3.02Å; A17-F112 WeakPolarHBondContact CB-O 3.3Å; A17-F115 HydrophobicContact CB-CB 4.27Å; A17-I119 HydrophobicContact CB-CD1 4.21Å
18A90.4Very high77.7Confident19 Ų1968.2 Ų68.216%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-156155.2173.100000110.6T5 M6 M20 Y110T5-A18 CarbonylContact O-C 3.56Å; T5-A18 WeakPolarHBondContact O-CA 3.25Å; T5-A18 WeakPolarHBondContact O-CB 3.28Å; M6-A18 HydrophobicContact CB-CB 4.44Å; M6-A18 HydrophobicContact CG-CB 4.33Å; A18-M20 HydrophobicContact CB-CE 4.19Å; A18-Y110 HydrophobicContact CB-CD1 4.5Å; A18-Y110 HydrophobicContact CB-CE1 3.84Å
19S87.3Confident76.3Confident4 Ų474 Ų743%0.02839%0.392CS..EExtended strand (participates in β ladder)trans-138.8124.6177.1-168.40000109.8T5 D116 Q120T5-S19 PolarHBondContact N-O 2.98Å; T5-S19 PolarHBondContact O-N 3.39Å; S19-D116 WeakPolarHBondContact CA-OD1 3.42Å; S19-D116 WeakPolarHBondContact CB-OD1 3.41Å; S19-D116 PolarHBondContact OG-OD1 2.75Å; S19-Q120 WeakPolarHBondContact OG-CG 3.35Å
20M82.3Confident75.4Confident60 Ų6073.9 Ų73.930%0.29639%0.394SS..EExtended strand (participates in β ladder)trans-127.3135.9-178.3-69.2166.4-157.100109L4 A18 Q34L4-M20 HydrophobicContact CD1-CE 3.33Å; L4-M20 HydrophobicContact CD1-CG 3.38Å; L4-M20 HydrophobicContact CD1-SD 4.06Å; A18-M20 HydrophobicContact CB-CE 4.19Å; M20-Q34 HydrophobicContact CE-CG 3.93Å; M20-Q34 HydrophobicContact SD-CG 4.46Å; M20-Q34 PolarHBondContact SD-NE2 2.96Å; M20-Q34 VanDerWaalsContact SD-NE2 3.37Å
21Q67.7Low74.6Confident76 Ų7677.7 Ų77.736%0.35541%0.411SS..  trans-87.9115.2165.9-91.7171.6-14.300108.6L3L3-Q21 PolarHBondContact O-N 2.61Å
22E55.7Low74.2Confident158 Ų15878.4 Ų78.474%0.73840%0.398SS*.  trans-93.986.3169.3-70.4-175-179.900108.2
23D56.8Low74Confident103 Ų10376 Ų7655%0.55138%0.382SS*.  trans-83.2130.1159.2-67.3-28.7000107.7Q25 S26D23-Q25 PolarHBondContact O-N 3.39Å; D23-S26 PolarHBondContact O-N 2.67Å
24E51Low73.8Confident203 Ų20377.4 Ų77.495%0.94939%0.387SS*.THydrogen-bonded Turntrans-55.2-21.1-170.2-70.2-175.5137.400114.4
25Q48.7Very low73.6Confident188 Ų18878.1 Ų78.188%0.87939%0.393SS*.THydrogen-bonded Turntrans-85.3-18.5-175-141.776.722.400114.6D23D23-Q25 PolarHBondContact O-N 3.39Å
26S53.8Low73.5Confident67 Ų6777.8 Ų77.847%0.46939%0.389SS..SBendtrans-112.85.4-164.7-42.50000114.6D23 R28 D29 L30D23-S26 PolarHBondContact O-N 2.67Å; S26-R28 VanDerWaalsContact C-N 3.34Å; S26-R28 PolarHBondContact O-N 2.63Å; S26-D29 PolarHBondContact O-N 3.36Å; S26-L30 PolarHBondContact O-N 2.85Å
27G57.8Low73.4Confident51 Ų5177.8 Ų77.853%0.52639%0.39SS..Hα-helixtrans-63.7-27.7-162.500000116.3
28R57.9Low73.3Confident224 Ų22479.3 Ų79.385%0.84540%0.396SS*.Hα-helixtrans-77.3-41.4-178.1-79.1-165.9-86.7-156-4113.2S26 Q31S26-R28 VanDerWaalsContact C-N 3.34Å; S26-R28 PolarHBondContact O-N 2.63Å; R28-Q31 PolarHBondContact O-N 2.89Å
29D66.8Low73.3Confident120 Ų12080.9 Ų80.964%0.64240%0.4SS*.Hα-helixtrans-73.9-35.9-178.5-65-20.3000111.3S26 Q31 H32 Y33S26-D29 PolarHBondContact O-N 3.36Å; D29-Q31 VanDerWaalsContact C-N 3.25Å; D29-Q31 PolarHBondContact O-N 3.5Å; D29-H32 WeakPolarHBondContact O-CB 3.45Å; D29-H32 PolarHBondContact O-N 3Å; D29-Y33 WeakPolarHBondContact O-CD2 3.22Å; D29-Y33 PolarHBondContact O-N 3.41Å
30L75.1Confident73.5Confident30 Ų3080.8 Ų80.816%0.15740%0.399CS..Hα-helixtrans-65.4-30.5178.6-164.565.8000112.4L3 S26 H32 Y33 Q34 L74L3-L30 HydrophobicContact CB-CD1 4.12Å; S26-L30 PolarHBondContact O-N 2.85Å; L30-H32 VanDerWaalsContact C-N 3.32Å; L30-H32 PolarHBondContact O-N 3.32Å; L30-Y33 PolarHBondContact O-N 3.47Å; L30-Q34 WeakPolarHBondContact O-CB 3.24Å; L30-Q34 PolarHBondContact O-N 3.14Å; L30-L74 HydrophobicContact CD1-CD2 4.1Å
31Q79Confident73.8Confident101 Ų10178 Ų7847%0.47239%0.386SS..Hα-helixtrans-64-37.3176.8-169.9-178.7-14.500112R28 D29 Q34 S35R28-Q31 PolarHBondContact O-N 2.89Å; D29-Q31 VanDerWaalsContact C-N 3.25Å; D29-Q31 PolarHBondContact O-N 3.5Å; Q31-Q34 PolarHBondContact O-N 3.47Å; Q31-S35 PolarHBondContact O-N 2.87Å; Q31-S35 VanDerWaalsContact O-N 3.13Å
32H82.8Confident74.8Confident110 Ų11080.4 Ų80.451%0.50939%0.392SS..Hα-helixtrans-62.7-50.5175.8176.772.6000111.1D29 L30 Q34 S35 Q36D29-H32 WeakPolarHBondContact O-CB 3.45Å; D29-H32 PolarHBondContact O-N 3Å; L30-H32 VanDerWaalsContact C-N 3.32Å; L30-H32 PolarHBondContact O-N 3.32Å; H32-Q34 VanDerWaalsContact C-N 3.29Å; H32-Q34 PolarHBondContact O-N 2.99Å; H32-S35 WeakPolarHBondContact O-CB 3.3Å; H32-S35 PolarHBondContact O-N 3.16Å; H32-Q36 PolarHBondContact NE2-NE2 2.76Å; H32-Q36 PolarHBondContact O-N 3.47Å
33Y86.1Confident76.4Confident34 Ų3476.1 Ų76.113%0.13337%0.371CS..Hα-helixtrans-64.1-33178.1-65.4-69.5000112.7D29 L30 S35 Q36 A37 A56 M59 F61 L74D29-Y33 WeakPolarHBondContact O-CD2 3.22Å; D29-Y33 PolarHBondContact O-N 3.41Å; L30-Y33 PolarHBondContact O-N 3.47Å; Y33-S35 VanDerWaalsContact C-N 3.3Å; Y33-S35 PolarHBondContact O-N 3.33Å; Y33-Q36 PolarHBondContact O-N 2.96Å; Y33-A37 VanDerWaalsContact O-CB 3.28Å; Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 2.86Å; Y33-A56 HydrophobicContact CE1-CB 4.01Å; Y33-M59 HydrophobicContact CD1-CB 4.44Å; Y33-M59 HydrophobicContact CD2-CG 4.48Å; Y33-M59 HydrophobicContact CE1-CB 3.79Å; Y33-M59 HydrophobicContact CE1-CG 3.91Å; Y33-M59 HydrophobicContact CE2-CG 3.79Å; Y33-M59 VanDerWaalsContact CZ-CG 3.45Å; Y33-M59 WeakPolarHBondContact OH-CG 3.36Å; Y33-F61 HydrophobicContact CD1-CE2 4.03Å; Y33-F61 AromaticContact CD1-CZ 3.94Å; Y33-F61 HydrophobicContact CD1-CZ 3.94Å; Y33-F61 HydrophobicContact CG-CZ 4.48Å; Y33-F61 WeakPolarHBondContact O-CZ 3.45Å; Y33-L74 VanDerWaalsContact CB-CD2 3.47Å; Y33-L74 HydrophobicContact CD1-CD1 4.07Å; Y33-L74 HydrophobicContact CD1-CD2 4.37Å; Y33-L74 HydrophobicContact CD2-CD2 4.19Å; Y33-L74 HydrophobicContact CG-CD1 4.32Å; Y33-L74 HydrophobicContact CG-CD2 3.77Å
34Q85.4Confident78Confident36 Ų3671.6 Ų71.617%0.16835%0.346CS..Hα-helixtrans-63-38.1173.3-170-170.927.100111.8M20 L30 Q31 H32 K38M20-Q34 HydrophobicContact CE-CG 3.93Å; M20-Q34 HydrophobicContact SD-CG 4.46Å; M20-Q34 PolarHBondContact SD-NE2 2.96Å; M20-Q34 VanDerWaalsContact SD-NE2 3.37Å; L30-Q34 WeakPolarHBondContact O-CB 3.24Å; L30-Q34 PolarHBondContact O-N 3.14Å; Q31-Q34 PolarHBondContact O-N 3.47Å; H32-Q34 VanDerWaalsContact C-N 3.29Å; H32-Q34 PolarHBondContact O-N 2.99Å; Q34-K38 WeakPolarHBondContact O-CG 3.29Å; Q34-K38 PolarHBondContact O-N 2.9Å; Q34-K38 VanDerWaalsContact O-N 3.15Å
35S86.7Confident79.9Confident32 Ų3265.4 Ų65.422%0.22432%0.32CS..Hα-helixtrans-65-48.4174.5-173.40000111.1Q31 H32 Y33 A37 K38 Q39Q31-S35 PolarHBondContact O-N 2.87Å; Q31-S35 VanDerWaalsContact O-N 3.13Å; H32-S35 WeakPolarHBondContact O-CB 3.3Å; H32-S35 PolarHBondContact O-N 3.16Å; Y33-S35 VanDerWaalsContact C-N 3.3Å; Y33-S35 PolarHBondContact O-N 3.33Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 2.7Å; S35-K38 PolarHBondContact O-N 3.3Å; S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.21Å
36Q89.4Confident81.7Confident17 Ų1761.4 Ų61.48%0.07932%0.319CS..Hα-helixtrans-58.3-42.2176.1-71.3-174.5-39.100111.8H32 Y33 K38 Q39 L40 F61 L157H32-Q36 PolarHBondContact NE2-NE2 2.76Å; H32-Q36 PolarHBondContact O-N 3.47Å; Y33-Q36 PolarHBondContact O-N 2.96Å; Q36-K38 PolarHBondContact O-N 2.94Å; Q36-Q39 PolarHBondContact O-N 3.36Å; Q36-L40 WeakPolarHBondContact O-CB 3.44Å; Q36-L40 PolarHBondContact O-N 3.4Å; Q36-F61 HydrophobicContact CB-CE2 4.21Å; Q36-F61 HydrophobicContact CB-CZ 3.94Å; Q36-L157 HydrophobicContact CB-CD1 3.97Å; Q36-L157 HydrophobicContact CG-CD1 3.81Å
37A90.7Very high83.4Confident1 Ų166.9 Ų66.91%0.00834%0.337CS..Hα-helixtrans-59-45.7177.500000112.1L4 M6 Y33 S35 L40 C41 F61 L72L4-A37 HydrophobicContact CD2-CB 3.96Å; M6-A37 HydrophobicContact CE-CB 3.72Å; M6-A37 WeakPolarHBondContact CE-O 3.45Å; Y33-A37 VanDerWaalsContact O-CB 3.28Å; Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 2.86Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 2.7Å; A37-L40 PolarHBondContact O-N 2.98Å; A37-C41 PolarHBondContact O-N 2.88Å; A37-C41 PolarHBondContact O-SG 3.44Å; A37-F61 HydrophobicContact CB-CE1 3.84Å; A37-L72 HydrophobicContact CB-CD2 3.67Å
38K89.1Confident85Confident32 Ų3265.5 Ų65.514%0.13932%0.319CS..Hα-helixtrans-64.8-41.3176.7-71174.2-176.6169.60111.8M6 Q34 S35 Q36 R42 S171M6-K38 HydrophobicContact SD-CG 4.44Å; Q34-K38 WeakPolarHBondContact O-CG 3.29Å; Q34-K38 PolarHBondContact O-N 2.9Å; Q34-K38 VanDerWaalsContact O-N 3.15Å; S35-K38 PolarHBondContact O-N 3.3Å; Q36-K38 PolarHBondContact O-N 2.94Å; K38-R42 WeakPolarHBondContact O-CG 3.44Å; K38-R42 PolarHBondContact O-N 3.22Å; K38-S171 PolarHBondContact NZ-OG 3.31Å
39Q89.7Confident86.7Confident52 Ų5257 Ų5724%0.24329%0.294CS..Hα-helixtrans-64-43.9176.7-70.2174-22.400110.9S35 Q36 C41 R42 K43 L157S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.21Å; Q36-Q39 PolarHBondContact O-N 3.36Å; Q39-C41 PolarHBondContact O-N 3.14Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.47Å; Q39-R42 VanDerWaalsContact O-N 3.11Å; Q39-K43 WeakPolarHBondContact O-CG 3.24Å; Q39-K43 PolarHBondContact O-N 3.35Å; Q39-K43 VanDerWaalsContact O-N 3.15Å; Q39-L157 HydrophobicContact CB-CD2 3.69Å
40L91.4Very high88Confident1 Ų156 Ų561%0.00529%0.288CS..Hα-helixtrans-56.9-51.1176.3176.662.1000111.1Q36 A37 R42 K43 L44 L54 Y63 L72 I153 V156 L157Q36-L40 WeakPolarHBondContact O-CB 3.44Å; Q36-L40 PolarHBondContact O-N 3.4Å; A37-L40 PolarHBondContact O-N 2.98Å; L40-R42 PolarHBondContact O-N 3.31Å; L40-K43 PolarHBondContact O-N 3.12Å; L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CD2 4.17Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.35Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 3.31Å; L40-L54 HydrophobicContact CD1-CD1 3.4Å; L40-L54 HydrophobicContact CD2-CD1 3.56Å; L40-L54 HydrophobicContact CG-CD1 4.11Å; L40-Y63 HydrophobicContact CD2-CD1 4.37Å; L40-L72 HydrophobicContact CD2-CD1 3.69Å; L40-L72 HydrophobicContact CD2-CD2 4.27Å; L40-I153 HydrophobicContact CB-CD1 4.44Å; L40-I153 HydrophobicContact CD1-CD1 4.29Å; L40-I153 HydrophobicContact CD2-CD1 4.22Å; L40-V156 HydrophobicContact CD1-CG1 3.92Å; L40-L157 HydrophobicContact CB-CD2 4.33Å
41C89.5Confident88.9Confident3 Ų358.9 Ų58.92%0.0230%0.297CS..Hα-helixtrans-59.3-21179.1-71.50000114.5M6 A8 G13 A37 Q39M6-C41 HydrophobicContact CE-CB 4.34Å; M6-C41 WeakPolarHBondContact CE-SG 3.49Å; A8-C41 HydrophobicContact CB-CB 3.96Å; G13-C41 WeakPolarHBondContact CA-O 3.43Å; A37-C41 PolarHBondContact O-N 2.88Å; A37-C41 PolarHBondContact O-SG 3.44Å; Q39-C41 PolarHBondContact O-N 3.14Å
42R88.4Confident89.7Confident126 Ų12654.1 Ų54.148%0.47527%0.274SS..Hα-helixtrans-88.4-21.8174.7-67170.6-180-169.5-6.6113.8K38 Q39 L40 D167K38-R42 WeakPolarHBondContact O-CG 3.44Å; K38-R42 PolarHBondContact O-N 3.22Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.47Å; Q39-R42 VanDerWaalsContact O-N 3.11Å; L40-R42 PolarHBondContact O-N 3.31Å; R42-D167 IonicContact CZ-OD2 2.98Å; R42-D167 IonicContact NH1-OD2 2.63Å; R42-D167 PolarHBondContact NH1-OD2 2.94Å; R42-D167 IonicContact NH2-OD2 2.61Å; R42-D167 PolarHBondContact NH2-OD2 3.46Å
43K89Confident90.3Very high67 Ų6748.9 Ų48.929%0.29125%0.25SS..Hα-helixtrans-84.2-31.1177.2-69.4-71.3-176.3176.10111.6Q39 L40 N45 R159 G160Q39-K43 WeakPolarHBondContact O-CG 3.24Å; Q39-K43 PolarHBondContact O-N 3.35Å; Q39-K43 VanDerWaalsContact O-N 3.15Å; L40-K43 PolarHBondContact O-N 3.12Å; K43-N45 PolarHBondContact O-ND2 2.72Å; K43-R159 PolarHBondContact NZ-O 3.03Å; K43-G160 PolarHBondContact NZ-O 3.33Å; K43-G160 VanDerWaalsContact NZ-O 3.07Å
44L90.6Very high90.8Very high8 Ų847.3 Ų47.34%0.04224%0.244CC..  trans-62.3139.5178-65.1172.4000111L40 Y63 L65 C70L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CD2 4.17Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.35Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 3.31Å; L44-Y63 HydrophobicContact CD1-CD1 4.49Å; L44-Y63 HydrophobicContact CD1-CD2 4.35Å; L44-Y63 HydrophobicContact CD1-CE1 4.48Å; L44-Y63 HydrophobicContact CD1-CE2 4.36Å; L44-Y63 HydrophobicContact CD1-CG 4.42Å; L44-Y63 HydrophobicContact CD2-CE1 3.95Å; L44-Y63 HydrophobicContact CD2-CE2 3.98Å; L44-L65 HydrophobicContact CD1-CD2 4.1Å; L44-C70 HydrophobicContact CD1-CB 4.29Å; L44-C70 WeakPolarHBondContact CD1-SG 3.37Å
45N90.6Very high91.2Very high73 Ų7350 Ų5039%0.3926%0.257SS..  trans-150.7-177.3-17961.155.9000109.9K43 Q47 S48K43-N45 PolarHBondContact O-ND2 2.72Å; N45-Q47 PolarHBondContact O-N 2.99Å; N45-Q47 VanDerWaalsContact O-N 3.14Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.07Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N45-Q47 PolarHBondContact OD1-N 2.91Å; N45-S48 PolarHBondContact N-OG 2.86Å; N45-S48 WeakPolarHBondContact O-CB 3.44Å; N45-S48 PolarHBondContact O-N 2.88Å; N45-S48 PolarHBondContact O-OG 2.94Å; N45-S48 PolarHBondContact OD1-N 2.78Å
46A86.9Confident91.5Very high104 Ų10448.9 Ų48.986%0.8625%0.249SC*.THydrogen-bonded Turntrans-63.4-17.2-177.300000115.2
47Q88.8Confident91.4Very high183 Ų18351.5 Ų51.586%0.85528%0.281SS*.THydrogen-bonded Turntrans-91.4-8.1175.3-59.3178.8-1300112.5N45N45-Q47 PolarHBondContact O-N 2.99Å; N45-Q47 VanDerWaalsContact O-N 3.14Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.07Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N45-Q47 PolarHBondContact OD1-N 2.91Å
48S91.6Very high91.4Very high21 Ų2156.6 Ų56.615%0.14731%0.312CS..SBendtrans-68.8144.6177.2-57.60000109.8N45N45-S48 PolarHBondContact N-OG 2.86Å; N45-S48 WeakPolarHBondContact O-CB 3.44Å; N45-S48 PolarHBondContact O-N 2.88Å; N45-S48 PolarHBondContact O-OG 2.94Å; N45-S48 PolarHBondContact OD1-N 2.78Å
49P93.3Very high91.6Very high47 Ų4756.5 Ų56.531%0.30531%0.312SS..  trans-58.1141.1176.9-17.125.5000111.2R51 Y63 M149P49-R51 PolarHBondContact O-N 3.21Å; P49-Y63 VanDerWaalsContact O-CE2 3.24Å; P49-Y63 WeakPolarHBondContact O-CE2 3.43Å; P49-Y63 PolarHBondContact O-OH 3.33Å; P49-M149 HydrophobicContact CB-CB 4.31Å; P49-M149 HydrophobicContact CB-SD 4.36Å; P49-M149 HydrophobicContact CG-CB 4.27Å; P49-M149 HydrophobicContact CG-CE 3.59Å; P49-M149 HydrophobicContact CG-CG 4.45Å; P49-M149 HydrophobicContact CG-SD 3.36Å; P49-M149 WeakPolarHBondContact CG-SD 3.41Å
50N93.5Very high91.8Very high98 Ų9854.3 Ų54.352%0.52430%0.303SS..SBendtrans-66.3-23.9-179.3-67.1-6000113.2V64 L65N50-V64 CarbonylContact O-C 3.58Å; N50-V64 VanDerWaalsContact O-CA 3.29Å; N50-V64 WeakPolarHBondContact O-CA 3.5Å; N50-L65 PolarHBondContact O-N 3.43Å
51R94.1Very high92.1Very high91 Ų9154.3 Ų54.334%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-137.7125.4-179.9-63.5173.4178.6-111.9-0.7109.5P49 Y63 V64 F85 E89 I148 M149P49-R51 PolarHBondContact O-N 3.21Å; R51-Y63 WeakPolarHBondContact CA-O 3.46Å; R51-V64 HydrophobicContact CG-CG2 4.48Å; R51-F85 HydrophobicContact CB-CE1 4.12Å; R51-E89 IonicContact CZ-OE1 3.09Å; R51-E89 IonicContact NH1-OE1 2.63Å; R51-E89 PolarHBondContact NH1-OE1 3.32Å; R51-E89 IonicContact NH2-OE1 2.67Å; R51-E89 PolarHBondContact NH2-OE1 3Å; R51-I148 HydrophobicContact CB-CG1 4.32Å; R51-M149 PolarHBondContact O-N 3.17Å
52C95.3Very high92.4Very high0 Ų054.3 Ų54.30%030%0.302CS..EExtended strand (participates in β ladder)trans-152147.6-179.4-179.20000112.1L54 H62 Y63 M149C52-L54 WeakPolarHBondContact SG-CD2 3.16Å; C52-H62 WeakPolarHBondContact O-CA 3.25Å; C52-Y63 HydrophobicContact CB-CD1 4.13Å; C52-Y63 HydrophobicContact CB-CE1 3.41Å; C52-Y63 VanDerWaalsContact CB-CE1 3.41Å; C52-Y63 HydrophobicContact CB-CE2 4.05Å; C52-Y63 VanDerWaalsContact CB-OH 3.32Å; C52-Y63 WeakPolarHBondContact CB-OH 3.25Å; C52-Y63 PolarHBondContact N-O 2.91Å; C52-Y63 PolarHBondContact O-N 3.4Å; C52-M149 CarbonylContact C-O 3.49Å; C52-M149 VanDerWaalsContact CA-O 3.22Å; C52-M149 WeakPolarHBondContact CA-O 3.35Å; C52-M149 HydrophobicContact CB-CB 4.29Å; C52-M149 PolarHBondContact SG-O 3.41Å
53T96.2Very high92.8Very high0 Ų048.6 Ų48.60%028%0.281CS..EExtended strand (participates in β ladder)trans-108.5126.4166.7-60.20000108.5F61 H62 M149 V150 A151T53-F61 CarbonylContact C-O 3.58Å; T53-F61 VanDerWaalsContact CA-O 3.27Å; T53-F61 WeakPolarHBondContact CA-O 3.36Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.36Å; T53-H62 PolarHBondContact OG1-CE1 3.17Å; T53-H62 PolarHBondContact OG1-ND1 3.38Å; T53-M149 PolarHBondContact N-O 2.78Å; T53-V150 VanDerWaalsContact O-CA 3.31Å; T53-V150 WeakPolarHBondContact O-CA 3.28Å; T53-A151 PolarHBondContact O-N 3.38Å
54L95.9Very high93.1Very high1 Ų145.5 Ų45.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-111117.9174.1-54.4171.6000109.8L40 C52 S60 F61 Y63 A151 I153 V156L40-L54 HydrophobicContact CD1-CD1 3.4Å; L40-L54 HydrophobicContact CD2-CD1 3.56Å; L40-L54 HydrophobicContact CG-CD1 4.11Å; C52-L54 WeakPolarHBondContact SG-CD2 3.16Å; L54-S60 CarbonylContact O-C 3.58Å; L54-S60 WeakPolarHBondContact O-CA 3.27Å; L54-F61 HydrophobicContact CB-CB 4.15Å; L54-F61 PolarHBondContact N-O 3.16Å; L54-F61 PolarHBondContact O-N 3.48Å; L54-Y63 HydrophobicContact CD1-CD1 4.46Å; L54-Y63 HydrophobicContact CD1-CE1 4.07Å; L54-Y63 HydrophobicContact CG-CE1 4.37Å; L54-A151 CarbonylContact C-O 3.46Å; L54-A151 WeakPolarHBondContact CA-O 3.44Å; L54-A151 HydrophobicContact CD2-CB 3.82Å; L54-I153 HydrophobicContact CB-CB 4.17Å; L54-I153 HydrophobicContact CB-CD1 4.09Å; L54-I153 HydrophobicContact CD1-CD1 3.57Å; L54-I153 HydrophobicContact CG-CD1 4.45Å; L54-V156 HydrophobicContact CD2-CG2 3.79Å
55E95.1Very high93.4Very high93 Ų9345.7 Ų45.744%0.43527%0.269SS..EExtended strand (participates in β ladder)trans-79131.9-178.7-62.6-177.4161.700109.9V150 A151 I153E55-V150 HydrophobicContact CG-CG1 4.02Å; E55-V150 WeakPolarHBondContact OE1-CG1 3.49Å; E55-A151 PolarHBondContact N-O 2.84Å; E55-I153 WeakPolarHBondContact O-CG2 3.38Å; E55-I153 PolarHBondContact O-N 3.14Å
56A91.7Very high93.6Very high8 Ų845.7 Ų45.77%0.06627%0.266CS..EExtended strand (participates in β ladder)trans-137.460.3-175.400000109.5Y33 V58 M59 F61 I153Y33-A56 HydrophobicContact CE1-CB 4.01Å; A56-V58 PolarHBondContact O-N 3.39Å; A56-M59 CarbonylContact C-O 3.58Å; A56-M59 WeakPolarHBondContact CA-O 3.5Å; A56-M59 PolarHBondContact N-O 3.48Å; A56-M59 PolarHBondContact O-N 2.95Å; A56-F61 HydrophobicContact CB-CD2 4.09Å; A56-F61 HydrophobicContact CB-CE2 3.99Å; A56-I153 HydrophobicContact CB-CB 4.34Å; A56-I153 HydrophobicContact CB-CG2 3.63Å
57G88.8Confident94Very high72 Ų7246 Ų4674%0.74225%0.25SC*.THydrogen-bonded Turntrans65.3-116.2-175.900000112.5M59G57-M59 PolarHBondContact O-N 2.85Å
58V90.2Very high94.3Very high108 Ų10839.4 Ų39.466%0.65523%0.23SC*.THydrogen-bonded Turntrans-76.6-10.3179-60.40000113.2A56 A77A56-V58 PolarHBondContact O-N 3.39Å; V58-A77 PolarHBondContact O-N 3.46Å
59M92.5Very high94.5Very high31 Ų3138.6 Ų38.615%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-113.2164.1178.2-59-60.3174.700111.3L3 Y33 A56 G57 L74 C75 E76L3-M59 HydrophobicContact CD1-CE 3.56Å; L3-M59 HydrophobicContact CD1-SD 3.71Å; Y33-M59 HydrophobicContact CD1-CB 4.44Å; Y33-M59 HydrophobicContact CD2-CG 4.48Å; Y33-M59 HydrophobicContact CE1-CB 3.79Å; Y33-M59 HydrophobicContact CE1-CG 3.91Å; Y33-M59 HydrophobicContact CE2-CG 3.79Å; Y33-M59 VanDerWaalsContact CZ-CG 3.45Å; Y33-M59 WeakPolarHBondContact OH-CG 3.36Å; A56-M59 CarbonylContact C-O 3.58Å; A56-M59 WeakPolarHBondContact CA-O 3.5Å; A56-M59 PolarHBondContact N-O 3.48Å; A56-M59 PolarHBondContact O-N 2.95Å; G57-M59 PolarHBondContact O-N 2.85Å; M59-L74 HydrophobicContact CB-CD1 3.75Å; M59-L74 HydrophobicContact CG-CD1 4.43Å; M59-C75 CarbonylContact C-O 3.51Å; M59-C75 WeakPolarHBondContact CA-O 3.28Å; M59-E76 HydrophobicContact CE-CG 4.27Å; M59-E76 HydrophobicContact SD-CB 4.38Å; M59-E76 HydrophobicContact SD-CG 3.97Å
60S95.1Very high94.7Very high6 Ų636.4 Ų36.44%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-140.6133.1174.1-63.50000109.9L54 H62 C75L54-S60 CarbonylContact O-C 3.58Å; L54-S60 WeakPolarHBondContact O-CA 3.27Å; S60-H62 WeakPolarHBondContact CB-NE2 3.22Å; S60-C75 PolarHBondContact N-O 3.02Å; S60-C75 PolarHBondContact O-N 3.43Å
61F96.4Very high94.9Very high0 Ų031.9 Ų31.90%019%0.186CC..EExtended strand (participates in β ladder)trans-87.2138.3167.3-68-83.6000109.1Y33 Q36 A37 T53 L54 A56 L72 A73 L74 I153Y33-F61 HydrophobicContact CD1-CE2 4.03Å; Y33-F61 AromaticContact CD1-CZ 3.94Å; Y33-F61 HydrophobicContact CD1-CZ 3.94Å; Y33-F61 HydrophobicContact CG-CZ 4.48Å; Y33-F61 WeakPolarHBondContact O-CZ 3.45Å; Q36-F61 HydrophobicContact CB-CE2 4.21Å; Q36-F61 HydrophobicContact CB-CZ 3.94Å; A37-F61 HydrophobicContact CB-CE1 3.84Å; T53-F61 CarbonylContact C-O 3.58Å; T53-F61 VanDerWaalsContact CA-O 3.27Å; T53-F61 WeakPolarHBondContact CA-O 3.36Å; L54-F61 HydrophobicContact CB-CB 4.15Å; L54-F61 PolarHBondContact N-O 3.16Å; L54-F61 PolarHBondContact O-N 3.48Å; A56-F61 HydrophobicContact CB-CD2 4.09Å; A56-F61 HydrophobicContact CB-CE2 3.99Å; F61-L72 HydrophobicContact CB-CD1 4.01Å; F61-L72 HydrophobicContact CD1-CD1 3.97Å; F61-L72 HydrophobicContact CD1-CD2 4.21Å; F61-L72 HydrophobicContact CD1-CG 4.28Å; F61-L72 HydrophobicContact CG-CD1 4.43Å; F61-A73 CarbonylContact C-O 3.52Å; F61-A73 WeakPolarHBondContact CA-O 3.32Å; F61-L74 HydrophobicContact CD1-CB 4.22Å; F61-L74 HydrophobicContact CD1-CD1 3.84Å; F61-L74 HydrophobicContact CD2-CD1 4.15Å; F61-L74 HydrophobicContact CE1-CB 4.18Å; F61-L74 HydrophobicContact CE1-CD1 3.67Å; F61-L74 HydrophobicContact CE1-CG 4.37Å; F61-L74 HydrophobicContact CE2-CD1 3.98Å; F61-L74 HydrophobicContact CG-CD1 4.09Å; F61-L74 HydrophobicContact CZ-CD1 3.74Å; F61-I153 HydrophobicContact CD2-CD1 4.15Å; F61-I153 HydrophobicContact CD2-CG1 4.12Å; F61-I153 HydrophobicContact CE2-CD1 4.43Å; F61-I153 HydrophobicContact CE2-CG1 4.12Å
62H96.3Very high95Very high3 Ų327.6 Ų27.61%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-127.4133.4172.3-57.1-85.3000107.8C52 T53 S60 L72 A73 C75 V84 F85 L88C52-H62 WeakPolarHBondContact O-CA 3.25Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.36Å; T53-H62 PolarHBondContact OG1-CE1 3.17Å; T53-H62 PolarHBondContact OG1-ND1 3.38Å; S60-H62 WeakPolarHBondContact CB-NE2 3.22Å; H62-L72 CarbonylContact O-C 3.54Å; H62-L72 WeakPolarHBondContact O-CA 3.43Å; H62-A73 PolarHBondContact N-O 3.09Å; H62-A73 PolarHBondContact O-N 3.01Å; H62-C75 PolarHBondContact CD2-SG 3.26Å; H62-C75 PolarHBondContact NE2-SG 2.91Å; H62-V84 HydrophobicContact CB-CB 4.41Å; H62-V84 HydrophobicContact CB-CG1 3.63Å; H62-F85 HydrophobicContact CB-CE2 4.15Å; H62-F85 HydrophobicContact CB-CZ 4.06Å; H62-F85 AromaticContact ND1-CE2 3.58Å; H62-L88 HydrophobicContact CB-CD1 4.09Å; H62-L88 WeakPolarHBondContact O-CD1 3.27Å
63Y96.9Very high95.1Very high6 Ų627.6 Ų27.62%0.02417%0.17CC..EExtended strand (participates in β ladder)trans-136.2153.6174.772-98.3000114L40 L44 P49 R51 C52 L54 L65 Y71 L72 F85L40-Y63 HydrophobicContact CD2-CD1 4.37Å; L44-Y63 HydrophobicContact CD1-CD1 4.49Å; L44-Y63 HydrophobicContact CD1-CD2 4.35Å; L44-Y63 HydrophobicContact CD1-CE1 4.48Å; L44-Y63 HydrophobicContact CD1-CE2 4.36Å; L44-Y63 HydrophobicContact CD1-CG 4.42Å; L44-Y63 HydrophobicContact CD2-CE1 3.95Å; L44-Y63 HydrophobicContact CD2-CE2 3.98Å; P49-Y63 VanDerWaalsContact O-CE2 3.24Å; P49-Y63 WeakPolarHBondContact O-CE2 3.43Å; P49-Y63 PolarHBondContact O-OH 3.33Å; R51-Y63 WeakPolarHBondContact CA-O 3.46Å; C52-Y63 HydrophobicContact CB-CD1 4.13Å; C52-Y63 HydrophobicContact CB-CE1 3.41Å; C52-Y63 VanDerWaalsContact CB-CE1 3.41Å; C52-Y63 HydrophobicContact CB-CE2 4.05Å; C52-Y63 VanDerWaalsContact CB-OH 3.32Å; C52-Y63 WeakPolarHBondContact CB-OH 3.25Å; C52-Y63 PolarHBondContact N-O 2.91Å; C52-Y63 PolarHBondContact O-N 3.4Å; L54-Y63 HydrophobicContact CD1-CD1 4.46Å; L54-Y63 HydrophobicContact CD1-CE1 4.07Å; L54-Y63 HydrophobicContact CG-CE1 4.37Å; Y63-L65 HydrophobicContact CD2-CD1 4.48Å; Y63-L65 HydrophobicContact CD2-CD2 3.98Å; Y63-L65 HydrophobicContact CD2-CG 3.78Å; Y63-L65 HydrophobicContact CE2-CD1 3.91Å; Y63-L65 HydrophobicContact CE2-CD2 4.21Å; Y63-L65 HydrophobicContact CE2-CG 3.68Å; Y63-Y71 CarbonylContact C-O 3.53Å; Y63-Y71 WeakPolarHBondContact CA-O 3.49Å; Y63-Y71 WeakPolarHBondContact CB-O 3.49Å; Y63-L72 HydrophobicContact CD1-CD1 4.5Å; Y63-F85 WeakPolarHBondContact O-CE1 3.31Å
64V95.9Very high95Very high3 Ų327.6 Ų27.62%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-120.8130.1168.1179.10000108.1N50 R51 Y71 F85 L88N50-V64 CarbonylContact O-C 3.58Å; N50-V64 VanDerWaalsContact O-CA 3.29Å; N50-V64 WeakPolarHBondContact O-CA 3.5Å; R51-V64 HydrophobicContact CG-CG2 4.48Å; V64-Y71 PolarHBondContact N-O 3.18Å; V64-Y71 PolarHBondContact O-N 2.9Å; V64-F85 HydrophobicContact CG2-CD1 3.77Å; V64-F85 HydrophobicContact CG2-CE1 4.06Å; V64-L88 HydrophobicContact CG2-CB 3.89Å; V64-L88 HydrophobicContact CG2-CD1 4.19Å
65L95.8Very high94.8Very high12 Ų1227.6 Ų27.66%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-105124170.6-58.3-179.8000108.9V10 L44 N50 Y63 V69 C70V10-L65 HydrophobicContact CG2-CD2 3.73Å; L44-L65 HydrophobicContact CD1-CD2 4.1Å; N50-L65 PolarHBondContact O-N 3.43Å; Y63-L65 HydrophobicContact CD2-CD1 4.48Å; Y63-L65 HydrophobicContact CD2-CD2 3.98Å; Y63-L65 HydrophobicContact CD2-CG 3.78Å; Y63-L65 HydrophobicContact CE2-CD1 3.91Å; Y63-L65 HydrophobicContact CE2-CD2 4.21Å; Y63-L65 HydrophobicContact CE2-CG 3.68Å; L65-V69 WeakPolarHBondContact CA-O 3.11Å; L65-C70 HydrophobicContact CD2-CB 3.42Å; L65-C70 VanDerWaalsContact CD2-CB 3.42Å
66E95.5Very high94.6Very high72 Ų7226 Ų2634%0.33616%0.163SC..EExtended strand (participates in β ladder)trans-153.4137.7-179.6-161.349.9-113.200109.1G68 V69 Q92E66-G68 PolarHBondContact O-N 3.02Å; E66-V69 PolarHBondContact N-O 2.98Å; E66-V69 PolarHBondContact O-N 3.13Å; E66-Q92 HydrophobicContact CB-CG 3.77Å; E66-Q92 HydrophobicContact CG-CG 4.08Å
67H94.8Very high94.6Very high111 Ų11128 Ų2851%0.51418%0.18SC..THydrogen-bonded Turntrans49.333.2-177.5-53.3101.7000115.4V69 H96H67-V69 VanDerWaalsContact C-N 3.28Å; H67-V69 PolarHBondContact O-N 3.3Å; H67-H96 AromaticContact CD2-CE1 3.62Å; H67-H96 AromaticContact CE1-CE1 3.86Å; H67-H96 AromaticContact CE1-ND1 3.98Å; H67-H96 AromaticContact CG-CE1 3.47Å; H67-H96 VanDerWaalsContact CG-CE1 3.47Å; H67-H96 AromaticContact CG-ND1 3.51Å; H67-H96 AromaticContact ND1-CE1 3.6Å; H67-H96 AromaticContact ND1-CG 3.9Å; H67-H96 AromaticContact ND1-ND1 3.39Å; H67-H96 PolarHBondContact ND1-ND1 2.89Å; H67-H96 AromaticContact NE2-CE1 3.85Å
68G94.7Very high94.7Very high44 Ų4430.5 Ų30.545%0.45418%0.18SC..THydrogen-bonded Turntrans73.116.6-178.200000114.6V10 E66V10-G68 WeakPolarHBondContact CB-O 3.49Å; V10-G68 WeakPolarHBondContact CG2-O 3.41Å; V10-G68 PolarHBondContact N-O 3.25Å; E66-G68 PolarHBondContact O-N 3.02Å
69V97.3Very high94.6Very high5 Ų526.3 Ų26.33%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-117.2136174.9-177.80000109.6I7 L16 L65 E66 H67 Y71 F95 V103I7-V69 HydrophobicContact CG2-CG1 3.46Å; I7-V69 VanDerWaalsContact CG2-CG1 3.46Å; L16-V69 HydrophobicContact CD1-CG1 4.1Å; L16-V69 HydrophobicContact CD1-CG2 4.28Å; L65-V69 WeakPolarHBondContact CA-O 3.11Å; E66-V69 PolarHBondContact N-O 2.98Å; E66-V69 PolarHBondContact O-N 3.13Å; H67-V69 VanDerWaalsContact C-N 3.28Å; H67-V69 PolarHBondContact O-N 3.3Å; V69-Y71 HydrophobicContact CB-CE2 3.72Å; V69-Y71 HydrophobicContact CG1-CD2 4.18Å; V69-Y71 HydrophobicContact CG1-CE1 4.05Å; V69-Y71 HydrophobicContact CG1-CE2 3.58Å; V69-F95 HydrophobicContact CG1-CE1 4.42Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.24Å
70C97.3Very high94.5Very high1 Ų127.9 Ų27.91%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-98124.9172.5176.90000109.6I7 A8 V10 L44 L65I7-C70 CarbonylContact C-O 3.6Å; I7-C70 VanDerWaalsContact CA-O 3.31Å; I7-C70 WeakPolarHBondContact CA-O 3.27Å; A8-C70 PolarHBondContact N-O 3.2Å; A8-C70 PolarHBondContact O-N 2.94Å; V10-C70 HydrophobicContact CG2-CB 4.02Å; L44-C70 HydrophobicContact CD1-CB 4.29Å; L44-C70 WeakPolarHBondContact CD1-SG 3.37Å; L65-C70 HydrophobicContact CD2-CB 3.42Å; L65-C70 VanDerWaalsContact CD2-CB 3.42Å
71Y97.6Very high94.2Very high2 Ų231 Ų311%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-108.7108.3173-57.5-93.1000107.5I7 Y63 V64 V69 L91 Q92 F95I7-Y71 HydrophobicContact CD1-CD1 3.96Å; I7-Y71 HydrophobicContact CD1-CE1 4.06Å; I7-Y71 HydrophobicContact CG1-CD1 3.93Å; I7-Y71 HydrophobicContact CG1-CE1 4.37Å; I7-Y71 HydrophobicContact CG2-CD1 3.98Å; I7-Y71 HydrophobicContact CG2-CE1 3.84Å; Y63-Y71 CarbonylContact C-O 3.53Å; Y63-Y71 WeakPolarHBondContact CA-O 3.49Å; Y63-Y71 WeakPolarHBondContact CB-O 3.49Å; V64-Y71 PolarHBondContact N-O 3.18Å; V64-Y71 PolarHBondContact O-N 2.9Å; V69-Y71 HydrophobicContact CB-CE2 3.72Å; V69-Y71 HydrophobicContact CG1-CD2 4.18Å; V69-Y71 HydrophobicContact CG1-CE1 4.05Å; V69-Y71 HydrophobicContact CG1-CE2 3.58Å; Y71-L91 HydrophobicContact CD1-CB 4.46Å; Y71-Q92 HydrophobicContact CD1-CB 4.17Å; Y71-Q92 HydrophobicContact CD2-CB 3.86Å; Y71-Q92 HydrophobicContact CD2-CG 3.85Å; Y71-Q92 VanDerWaalsContact CE1-CA 3.46Å; Y71-Q92 HydrophobicContact CE1-CB 4.05Å; Y71-Q92 HydrophobicContact CE1-CG 4.47Å; Y71-Q92 HydrophobicContact CE2-CB 3.73Å; Y71-Q92 HydrophobicContact CE2-CG 3.39Å; Y71-Q92 HydrophobicContact CG-CB 4.07Å; Y71-Q92 PolarHBondContact OH-O 3.18Å; Y71-F95 HydrophobicContact CE1-CB 3.83Å; Y71-F95 HydrophobicContact CE1-CD1 4.04Å; Y71-F95 HydrophobicContact CE1-CG 4.08Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.43Å
72L96.9Very high93.7Very high2 Ų234.3 Ų34.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-115.8134-172.2179.273000110.2T5 M6 A37 L40 F61 H62 Y63T5-L72 CarbonylContact C-O 3.57Å; T5-L72 VanDerWaalsContact CA-O 3.29Å; T5-L72 WeakPolarHBondContact CA-O 3.31Å; M6-L72 HydrophobicContact CE-CD2 3.8Å; M6-L72 PolarHBondContact N-O 2.56Å; M6-L72 PolarHBondContact O-N 3.14Å; A37-L72 HydrophobicContact CB-CD2 3.67Å; L40-L72 HydrophobicContact CD2-CD1 3.69Å; L40-L72 HydrophobicContact CD2-CD2 4.27Å; F61-L72 HydrophobicContact CB-CD1 4.01Å; F61-L72 HydrophobicContact CD1-CD1 3.97Å; F61-L72 HydrophobicContact CD1-CD2 4.21Å; F61-L72 HydrophobicContact CD1-CG 4.28Å; F61-L72 HydrophobicContact CG-CD1 4.43Å; H62-L72 CarbonylContact O-C 3.54Å; H62-L72 WeakPolarHBondContact O-CA 3.43Å; Y63-L72 HydrophobicContact CD1-CD1 4.5Å
73A95.6Very high93.3Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-125.1144.3168.900000110.8V2 L4 F61 H62 V84 Y87 L88V2-A73 HydrophobicContact CG1-CB 4.31Å; L4-A73 CarbonylContact O-C 3.33Å; L4-A73 WeakPolarHBondContact O-CA 3.41Å; F61-A73 CarbonylContact C-O 3.52Å; F61-A73 WeakPolarHBondContact CA-O 3.32Å; H62-A73 PolarHBondContact N-O 3.09Å; H62-A73 PolarHBondContact O-N 3.01Å; A73-V84 HydrophobicContact CB-CG1 3.85Å; A73-Y87 HydrophobicContact CB-CD1 4.46Å; A73-Y87 HydrophobicContact CB-CE1 4.19Å; A73-L88 HydrophobicContact CB-CD1 4.36Å; A73-L88 HydrophobicContact CB-CD2 3.84Å; A73-L88 HydrophobicContact CB-CG 4.3Å
74L93.9Very high93.1Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4129.8168.1178.273.3000108.4L3 L4 L30 Y33 M59 F61L3-L74 PolarHBondContact N-O 3.05Å; L4-L74 HydrophobicContact CB-CB 3.93Å; L4-L74 HydrophobicContact CB-CD2 4.24Å; L4-L74 HydrophobicContact CD2-CB 4.43Å; L4-L74 HydrophobicContact CG-CB 4.5Å; L4-L74 PolarHBondContact N-O 3.18Å; L4-L74 PolarHBondContact O-N 3.44Å; L30-L74 HydrophobicContact CD1-CD2 4.1Å; Y33-L74 VanDerWaalsContact CB-CD2 3.47Å; Y33-L74 HydrophobicContact CD1-CD1 4.07Å; Y33-L74 HydrophobicContact CD1-CD2 4.37Å; Y33-L74 HydrophobicContact CD2-CD2 4.19Å; Y33-L74 HydrophobicContact CG-CD1 4.32Å; Y33-L74 HydrophobicContact CG-CD2 3.77Å; M59-L74 HydrophobicContact CB-CD1 3.75Å; M59-L74 HydrophobicContact CG-CD1 4.43Å; F61-L74 HydrophobicContact CD1-CB 4.22Å; F61-L74 HydrophobicContact CD1-CD1 3.84Å; F61-L74 HydrophobicContact CD2-CD1 4.15Å; F61-L74 HydrophobicContact CE1-CB 4.18Å; F61-L74 HydrophobicContact CE1-CD1 3.67Å; F61-L74 HydrophobicContact CE1-CG 4.37Å; F61-L74 HydrophobicContact CE2-CD1 3.98Å; F61-L74 HydrophobicContact CG-CD1 4.09Å; F61-L74 HydrophobicContact CZ-CD1 3.74Å
75C92.6Very high92.9Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-141.6166.8171.359.80000111.5M1 V2 M59 S60 H62 F79M1-C75 WeakPolarHBondContact O-CA 3.41Å; M1-C75 WeakPolarHBondContact O-CB 3.34Å; V2-C75 HydrophobicContact CG2-CB 4.12Å; M59-C75 CarbonylContact C-O 3.51Å; M59-C75 WeakPolarHBondContact CA-O 3.28Å; S60-C75 PolarHBondContact N-O 3.02Å; S60-C75 PolarHBondContact O-N 3.43Å; H62-C75 PolarHBondContact CD2-SG 3.26Å; H62-C75 PolarHBondContact NE2-SG 2.91Å; C75-F79 HydrophobicContact CB-CB 4.12Å; C75-F79 HydrophobicContact CB-CD1 4.25Å; C75-F79 HydrophobicContact CB-CG 4.38Å
76E92Very high92.7Very high60 Ų6035 Ų3528%0.2820%0.197SC..EExtended strand (participates in β ladder)trans-56.4142.3166-70153.2-138.500110.6M1 M59 V78 F79M1-E76 PolarHBondContact N-OE1 3.35Å; M1-E76 PolarHBondContact N-OE2 2.69Å; M1-E76 PolarHBondContact O-N 3.22Å; M59-E76 HydrophobicContact CE-CG 4.27Å; M59-E76 HydrophobicContact SD-CB 4.38Å; M59-E76 HydrophobicContact SD-CG 3.97Å; E76-V78 HydrophobicContact CB-CG2 4Å; E76-V78 PolarHBondContact O-N 2.93Å; E76-V78 VanDerWaalsContact O-N 3.1Å; E76-F79 VanDerWaalsContact O-CB 3.28Å; E76-F79 WeakPolarHBondContact O-CB 3.44Å; E76-F79 PolarHBondContact O-N 3.25Å
77A90.8Very high92.5Very high51 Ų5131.7 Ų31.742%0.42118%0.181SC..THydrogen-bonded Turntrans-59.5-25.3-178.100000113.5V58 F79V58-A77 PolarHBondContact O-N 3.46Å; A77-F79 VanDerWaalsContact C-N 3.26Å; A77-F79 PolarHBondContact O-N 3.25Å
78V90.3Very high92.6Very high124 Ų12426.4 Ų26.475%0.75216%0.157SC*.THydrogen-bonded Turntrans-75.1-13.2177.1-60.10000113.5E76E76-V78 HydrophobicContact CB-CG2 4Å; E76-V78 PolarHBondContact O-N 2.93Å; E76-V78 VanDerWaalsContact O-N 3.1Å
79F89.4Confident92.5Very high19 Ų1925.9 Ų25.98%0.08314%0.143CC..SBendtrans-73.8133-176.7-172.3-98.2000110.6V2 C75 E76 A77 K81 L83 V84V2-F79 HydrophobicContact CG2-CD1 4.37Å; V2-F79 HydrophobicContact CG2-CE1 3.96Å; V2-F79 HydrophobicContact CG2-CZ 4.3Å; C75-F79 HydrophobicContact CB-CB 4.12Å; C75-F79 HydrophobicContact CB-CD1 4.25Å; C75-F79 HydrophobicContact CB-CG 4.38Å; E76-F79 VanDerWaalsContact O-CB 3.28Å; E76-F79 WeakPolarHBondContact O-CB 3.44Å; E76-F79 PolarHBondContact O-N 3.25Å; A77-F79 VanDerWaalsContact C-N 3.26Å; A77-F79 PolarHBondContact O-N 3.25Å; F79-K81 PolarHBondContact O-N 3.05Å; F79-L83 HydrophobicContact CE1-CB 3.82Å; F79-L83 HydrophobicContact CE2-CD1 4.49Å; F79-L83 HydrophobicContact CZ-CB 3.92Å; F79-L83 HydrophobicContact CZ-CD1 4.15Å; F79-V84 HydrophobicContact CD1-CG2 3.22Å; F79-V84 HydrophobicContact CE1-CB 4.48Å; F79-V84 HydrophobicContact CE1-CG2 3.42Å; F79-V84 VanDerWaalsContact CE1-CG2 3.42Å
80P89.1Confident92.3Very high64 Ų6428.6 Ų28.642%0.41616%0.157SC..  trans-61.9121.6-171.1-25.134000113.3K82 L83 V84P80-K82 PolarHBondContact O-N 3.03Å; P80-L83 HydrophobicContact CB-CB 4.48Å; P80-L83 HydrophobicContact CB-CD1 4.07Å; P80-L83 HydrophobicContact CB-CG 4.12Å; P80-L83 HydrophobicContact CG-CD1 3.96Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 2.79Å; P80-V84 PolarHBondContact O-N 3.05Å
81K89.1Confident92.2Very high73 Ų7328.6 Ų28.632%0.31716%0.157SC..Hα-helixtrans-50.4-44.6179.3-60.9-174.6-178.1-177.40112F79 L83 V84 F85 V145F79-K81 PolarHBondContact O-N 3.05Å; K81-L83 PolarHBondContact O-N 3.48Å; K81-V84 PolarHBondContact O-N 2.81Å; K81-F85 HydrophobicContact CB-CD2 4.42Å; K81-F85 VanDerWaalsContact O-CD2 3.29Å; K81-F85 WeakPolarHBondContact O-CD2 3.31Å; K81-F85 PolarHBondContact O-N 2.9Å; K81-V145 HydrophobicContact CB-CG1 4.38Å
82K86.5Confident92.2Very high69 Ų6929.8 Ų29.830%0.316%0.163SC..Hα-helixtrans-52.3-41.6177.7-171.6176.7-176.3172.40112.6P80 G86 N139 L142 V145P80-K82 PolarHBondContact O-N 3.03Å; K82-G86 PolarHBondContact O-N 3.35Å; K82-G86 VanDerWaalsContact O-N 3.13Å; K82-N139 PolarHBondContact NZ-OD1 3.29Å; K82-L142 HydrophobicContact CG-CB 4.16Å; K82-L142 HydrophobicContact CG-CD1 3.68Å; K82-L142 WeakPolarHBondContact O-CD1 3.33Å; K82-V145 HydrophobicContact CB-CG2 4.33Å
83L88.2Confident92.1Very high37 Ų3733.5 Ų33.519%0.19419%0.185CC..Hα-helixtrans-72-37.9180-65177.8000112.1F79 P80 K81 Y87 Y126F79-L83 HydrophobicContact CE1-CB 3.82Å; F79-L83 HydrophobicContact CE2-CD1 4.49Å; F79-L83 HydrophobicContact CZ-CB 3.92Å; F79-L83 HydrophobicContact CZ-CD1 4.15Å; P80-L83 HydrophobicContact CB-CB 4.48Å; P80-L83 HydrophobicContact CB-CD1 4.07Å; P80-L83 HydrophobicContact CB-CG 4.12Å; P80-L83 HydrophobicContact CG-CD1 3.96Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 2.79Å; K81-L83 PolarHBondContact O-N 3.48Å; L83-Y87 VanDerWaalsContact O-CB 3.31Å; L83-Y87 WeakPolarHBondContact O-CB 3.21Å; L83-Y87 PolarHBondContact O-N 3.47Å; L83-Y126 HydrophobicContact CB-CD1 4.48Å; L83-Y126 WeakPolarHBondContact O-CD1 3.38Å
84V91.8Very high92.2Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-66.6-44.4178.1-169.10000111H62 A73 F79 P80 K81 Y87 L88H62-V84 HydrophobicContact CB-CB 4.41Å; H62-V84 HydrophobicContact CB-CG1 3.63Å; A73-V84 HydrophobicContact CB-CG1 3.85Å; F79-V84 HydrophobicContact CD1-CG2 3.22Å; F79-V84 HydrophobicContact CE1-CB 4.48Å; F79-V84 HydrophobicContact CE1-CG2 3.42Å; F79-V84 VanDerWaalsContact CE1-CG2 3.42Å; P80-V84 PolarHBondContact O-N 3.05Å; K81-V84 PolarHBondContact O-N 2.81Å; V84-Y87 WeakPolarHBondContact O-CB 3.47Å; V84-Y87 PolarHBondContact O-N 2.98Å; V84-L88 HydrophobicContact CG1-CD1 4.17Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CG 3.1Å; V84-L88 PolarHBondContact O-N 2.96Å
85F92.3Very high92.4Very high1 Ų135.9 Ų35.90%0.00420%0.196CC..Hα-helixtrans-68.2-41.3-178.6-80.4-79.2000112R51 H62 Y63 V64 K81 Y87 L88 E89 L142 I148R51-F85 HydrophobicContact CB-CE1 4.12Å; H62-F85 HydrophobicContact CB-CE2 4.15Å; H62-F85 HydrophobicContact CB-CZ 4.06Å; H62-F85 AromaticContact ND1-CE2 3.58Å; Y63-F85 WeakPolarHBondContact O-CE1 3.31Å; V64-F85 HydrophobicContact CG2-CD1 3.77Å; V64-F85 HydrophobicContact CG2-CE1 4.06Å; K81-F85 HydrophobicContact CB-CD2 4.42Å; K81-F85 VanDerWaalsContact O-CD2 3.29Å; K81-F85 WeakPolarHBondContact O-CD2 3.31Å; K81-F85 PolarHBondContact O-N 2.9Å; F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.47Å; F85-L88 PolarHBondContact O-N 2.65Å; F85-E89 VanDerWaalsContact O-CG 3.31Å; F85-E89 WeakPolarHBondContact O-CG 3.42Å; F85-E89 PolarHBondContact O-N 2.78Å; F85-L142 HydrophobicContact CB-CD2 4.29Å; F85-I148 HydrophobicContact CD1-CD1 4.29Å; F85-I148 HydrophobicContact CD2-CD1 3.55Å; F85-I148 HydrophobicContact CE1-CD1 4.26Å; F85-I148 HydrophobicContact CE1-CG2 4.39Å; F85-I148 HydrophobicContact CE2-CD1 3.55Å; F85-I148 HydrophobicContact CE2-CG1 4.44Å; F85-I148 HydrophobicContact CE2-CG2 3.91Å; F85-I148 HydrophobicContact CG-CD1 3.95Å; F85-I148 HydrophobicContact CZ-CD1 3.91Å; F85-I148 HydrophobicContact CZ-CG1 4.36Å; F85-I148 HydrophobicContact CZ-CG2 3.58Å
86G90.4Very high92.6Very high1 Ų139.3 Ų39.31%0.0121%0.212CC..Hα-helixtrans-59.2-43.2171.100000112.3K82 L88 E89 D90 Y126K82-G86 PolarHBondContact O-N 3.35Å; K82-G86 VanDerWaalsContact O-N 3.13Å; G86-L88 VanDerWaalsContact C-N 3.35Å; G86-L88 PolarHBondContact O-N 2.92Å; G86-E89 PolarHBondContact O-N 3.3Å; G86-D90 PolarHBondContact O-N 3.13Å; G86-Y126 VanDerWaalsContact C-OH 3.3Å; G86-Y126 PolarHBondContact O-OH 2.76Å
87Y92.9Very high92.8Very high2 Ų243.7 Ų43.71%0.00823%0.233CC..Hα-helixtrans-57.9-44.8173.6163.7-110.3000112.7V2 T5 A73 L83 V84 F85 L91 I119 T122 K123 Y126V2-Y87 HydrophobicContact CG1-CE1 4.25Å; T5-Y87 WeakPolarHBondContact CB-OH 3.3Å; T5-Y87 HydrophobicContact CG2-CE1 4.15Å; T5-Y87 WeakPolarHBondContact CG2-OH 3.23Å; T5-Y87 PolarHBondContact OG1-OH 3.45Å; A73-Y87 HydrophobicContact CB-CD1 4.46Å; A73-Y87 HydrophobicContact CB-CE1 4.19Å; L83-Y87 VanDerWaalsContact O-CB 3.31Å; L83-Y87 WeakPolarHBondContact O-CB 3.21Å; L83-Y87 PolarHBondContact O-N 3.47Å; V84-Y87 WeakPolarHBondContact O-CB 3.47Å; V84-Y87 PolarHBondContact O-N 2.98Å; F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.47Å; Y87-L91 HydrophobicContact CD1-CD1 4.5Å; Y87-L91 HydrophobicContact CD2-CD1 4.42Å; Y87-L91 HydrophobicContact CD2-CG 4.34Å; Y87-L91 HydrophobicContact CE1-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CD1 3.75Å; Y87-L91 HydrophobicContact CE2-CD2 4.19Å; Y87-L91 HydrophobicContact CE2-CG 3.97Å; Y87-L91 VanDerWaalsContact CZ-CD1 3.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.08Å; Y87-L91 VanDerWaalsContact O-N 3.16Å; Y87-I119 VanDerWaalsContact OH-CG2 3.27Å; Y87-I119 WeakPolarHBondContact OH-CG2 3.48Å; Y87-T122 HydrophobicContact CD2-CG2 3.95Å; Y87-T122 HydrophobicContact CE2-CG2 4.28Å; Y87-K123 HydrophobicContact CE2-CB 3.86Å; Y87-Y126 HydrophobicContact CD2-CD2 4.14Å; Y87-Y126 HydrophobicContact CD2-CG 4.46Å; Y87-Y126 VanDerWaalsContact N-CE1 3.27Å
88L95.1Very high93Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-68.3-34.3178.7-70175.3000112.6H62 V64 A73 V84 F85 G86 L91 Q92H62-L88 HydrophobicContact CB-CD1 4.09Å; H62-L88 WeakPolarHBondContact O-CD1 3.27Å; V64-L88 HydrophobicContact CG2-CB 3.89Å; V64-L88 HydrophobicContact CG2-CD1 4.19Å; A73-L88 HydrophobicContact CB-CD1 4.36Å; A73-L88 HydrophobicContact CB-CD2 3.84Å; A73-L88 HydrophobicContact CB-CG 4.3Å; V84-L88 HydrophobicContact CG1-CD1 4.17Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CG 3.1Å; V84-L88 PolarHBondContact O-N 2.96Å; F85-L88 PolarHBondContact O-N 2.65Å; G86-L88 VanDerWaalsContact C-N 3.35Å; G86-L88 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 3.06Å; L88-Q92 VanDerWaalsContact O-CB 3.24Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.32Å
89E92.7Very high93.3Very high33 Ų3341.4 Ų41.415%0.15421%0.205CC..Hα-helixtrans-66.8-43.2175.5-74.4170.9161.500112.2R51 F85 G86 L91 Q92 T93 L142R51-E89 IonicContact CZ-OE1 3.09Å; R51-E89 IonicContact NH1-OE1 2.63Å; R51-E89 PolarHBondContact NH1-OE1 3.32Å; R51-E89 IonicContact NH2-OE1 2.67Å; R51-E89 PolarHBondContact NH2-OE1 3Å; F85-E89 VanDerWaalsContact O-CG 3.31Å; F85-E89 WeakPolarHBondContact O-CG 3.42Å; F85-E89 PolarHBondContact O-N 2.78Å; G86-E89 PolarHBondContact O-N 3.3Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.83Å; E89-Q92 PolarHBondContact O-N 2.82Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; E89-T93 WeakPolarHBondContact O-CB 3.49Å; E89-T93 PolarHBondContact O-N 3.21Å; E89-T93 PolarHBondContact O-OG1 3.15Å; E89-L142 WeakPolarHBondContact OE2-CD2 3.4Å
90D93.7Very high93.5Very high62 Ų6241.3 Ų41.333%0.33221%0.21SC..Hα-helixtrans-60.8-44.6174.7-77.4-3.5000110.9G86 Q92 E94 T122 Y126G86-D90 PolarHBondContact O-N 3.13Å; D90-Q92 VanDerWaalsContact C-N 3.32Å; D90-Q92 PolarHBondContact O-N 3.19Å; D90-E94 WeakPolarHBondContact O-CB 3.44Å; D90-E94 PolarHBondContact O-N 2.99Å; D90-E94 VanDerWaalsContact O-N 3.14Å; D90-T122 HydrophobicContact CB-CG2 4.06Å; D90-Y126 VanDerWaalsContact CG-OH 3.22Å; D90-Y126 WeakPolarHBondContact OD2-CE2 3.34Å; D90-Y126 VanDerWaalsContact OD2-CZ 3.25Å; D90-Y126 PolarHBondContact OD2-OH 2.87Å
91L96.1Very high93.8Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-63-40.4174.2-67.1-173.2000112.1T5 Y71 Y87 L88 E89 F95 F115 Y118 I119 T122T5-L91 HydrophobicContact CG2-CD1 3.66Å; Y71-L91 HydrophobicContact CD1-CB 4.46Å; Y87-L91 HydrophobicContact CD1-CD1 4.5Å; Y87-L91 HydrophobicContact CD2-CD1 4.42Å; Y87-L91 HydrophobicContact CD2-CG 4.34Å; Y87-L91 HydrophobicContact CE1-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CD1 3.75Å; Y87-L91 HydrophobicContact CE2-CD2 4.19Å; Y87-L91 HydrophobicContact CE2-CG 3.97Å; Y87-L91 VanDerWaalsContact CZ-CD1 3.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.08Å; Y87-L91 VanDerWaalsContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 3.06Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.83Å; L91-F95 WeakPolarHBondContact O-CB 3.42Å; L91-F95 PolarHBondContact O-N 3.22Å; L91-F115 HydrophobicContact CD2-CE1 4.18Å; L91-Y118 HydrophobicContact CD2-CD1 3.71Å; L91-Y118 HydrophobicContact CD2-CE1 3.83Å; L91-I119 HydrophobicContact CD1-CG1 4.31Å; L91-I119 HydrophobicContact CD1-CG2 4.45Å; L91-I119 HydrophobicContact CD2-CB 4.45Å; L91-I119 HydrophobicContact CD2-CG1 4.01Å; L91-T122 HydrophobicContact CD2-CG2 4.44Å
92Q96.4Very high94.1Very high28 Ų2850.4 Ų50.413%0.13124%0.242CC..Hα-helixtrans-63.8-48.1-179.5176.7-83.2-54.600111.6E66 Y71 L88 E89 D90 H96E66-Q92 HydrophobicContact CB-CG 3.77Å; E66-Q92 HydrophobicContact CG-CG 4.08Å; Y71-Q92 HydrophobicContact CD1-CB 4.17Å; Y71-Q92 HydrophobicContact CD2-CB 3.86Å; Y71-Q92 HydrophobicContact CD2-CG 3.85Å; Y71-Q92 VanDerWaalsContact CE1-CA 3.46Å; Y71-Q92 HydrophobicContact CE1-CB 4.05Å; Y71-Q92 HydrophobicContact CE1-CG 4.47Å; Y71-Q92 HydrophobicContact CE2-CB 3.73Å; Y71-Q92 HydrophobicContact CE2-CG 3.39Å; Y71-Q92 HydrophobicContact CG-CB 4.07Å; Y71-Q92 PolarHBondContact OH-O 3.18Å; L88-Q92 VanDerWaalsContact O-CB 3.24Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.32Å; E89-Q92 PolarHBondContact O-N 2.82Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; D90-Q92 VanDerWaalsContact C-N 3.32Å; D90-Q92 PolarHBondContact O-N 3.19Å; Q92-H96 VanDerWaalsContact O-CB 3.23Å; Q92-H96 WeakPolarHBondContact O-CB 3.48Å; Q92-H96 PolarHBondContact O-N 3.06Å
93T96Very high94.6Very high79 Ų7947.4 Ų47.449%0.48523%0.23SC..Hα-helixtrans-60.1-54.5-179.9-58.90000110.4E89 F95 H96 E97E89-T93 WeakPolarHBondContact O-CB 3.49Å; E89-T93 PolarHBondContact O-N 3.21Å; E89-T93 PolarHBondContact O-OG1 3.15Å; T93-F95 PolarHBondContact O-N 3.31Å; T93-H96 PolarHBondContact O-N 2.88Å; T93-E97 WeakPolarHBondContact O-CB 3.48Å; T93-E97 PolarHBondContact O-N 3.14Å
94E96.9Very high94.9Very high50 Ų5050 Ų5023%0.23425%0.249CC..Hα-helixtrans-63.4-45.2-178.4-173.283.7-147.700112.1D90 H96 E97 Q98 F115 Y118D90-E94 WeakPolarHBondContact O-CB 3.44Å; D90-E94 PolarHBondContact O-N 2.99Å; D90-E94 VanDerWaalsContact O-N 3.14Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 3.3Å; E94-E97 PolarHBondContact O-N 3.48Å; E94-Q98 WeakPolarHBondContact O-CG 3.49Å; E94-Q98 PolarHBondContact O-N 2.9Å; E94-Q98 PolarHBondContact OE1-NE2 3.21Å; E94-F115 HydrophobicContact CB-CE2 4.31Å; E94-F115 HydrophobicContact CB-CZ 4.12Å; E94-F115 HydrophobicContact CG-CE2 3.8Å; E94-F115 HydrophobicContact CG-CZ 4.07Å; E94-Y118 HydrophobicContact CB-CD1 4.37Å; E94-Y118 HydrophobicContact CB-CE1 3.64Å; E94-Y118 HydrophobicContact CB-CE2 4.23Å; E94-Y118 WeakPolarHBondContact CB-OH 3.45Å; E94-Y118 VanDerWaalsContact CD-CE2 3.45Å; E94-Y118 HydrophobicContact CG-CD1 4.1Å; E94-Y118 HydrophobicContact CG-CD2 3.97Å; E94-Y118 HydrophobicContact CG-CE1 3.69Å; E94-Y118 HydrophobicContact CG-CE2 3.52Å; E94-Y118 HydrophobicContact CG-CG 4.22Å; E94-Y118 VanDerWaalsContact OE2-CE2 3.25Å; E94-Y118 WeakPolarHBondContact OE2-CE2 3.44Å; E94-Y118 VanDerWaalsContact OE2-CZ 3.26Å; E94-Y118 PolarHBondContact OE2-OH 3.06Å
95F97.4Very high95Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-64.6-39.3-179.3-173.7-92.2000111.4I7 L16 V69 Y71 L91 T93 H99 G100 V103 F112 F115I7-F95 HydrophobicContact CD1-CD2 3.89Å; I7-F95 HydrophobicContact CD1-CE2 4.33Å; I7-F95 HydrophobicContact CD1-CG 4.24Å; I7-F95 HydrophobicContact CG2-CD1 4.3Å; I7-F95 HydrophobicContact CG2-CE1 4.08Å; I7-F95 HydrophobicContact CG2-CE2 4.35Å; I7-F95 HydrophobicContact CG2-CZ 4.12Å; L16-F95 HydrophobicContact CB-CZ 4Å; L16-F95 HydrophobicContact CD1-CE1 3.93Å; L16-F95 HydrophobicContact CD1-CZ 3.88Å; V69-F95 HydrophobicContact CG1-CE1 4.42Å; Y71-F95 HydrophobicContact CE1-CB 3.83Å; Y71-F95 HydrophobicContact CE1-CD1 4.04Å; Y71-F95 HydrophobicContact CE1-CG 4.08Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.43Å; L91-F95 WeakPolarHBondContact O-CB 3.42Å; L91-F95 PolarHBondContact O-N 3.22Å; T93-F95 PolarHBondContact O-N 3.31Å; F95-H99 AromaticContact CD2-CD2 3.83Å; F95-H99 HydrophobicContact CE1-CB 4.31Å; F95-H99 HydrophobicContact CE2-CB 4.36Å; F95-H99 AromaticContact CE2-CD2 3.7Å; F95-H99 HydrophobicContact CZ-CB 4.19Å; F95-H99 WeakPolarHBondContact O-CA 3.13Å; F95-H99 WeakPolarHBondContact O-CB 3.33Å; F95-H99 PolarHBondContact O-N 3.28Å; F95-G100 PolarHBondContact O-N 3.28Å; F95-V103 HydrophobicContact CE1-CG2 3.68Å; F95-V103 HydrophobicContact CZ-CG2 4.31Å; F95-F112 HydrophobicContact CE2-CB 3.87Å; F95-F112 HydrophobicContact CE2-CD2 4.27Å; F95-F112 HydrophobicContact CE2-CG 4.07Å; F95-F112 HydrophobicContact CZ-CB 4.27Å; F95-F112 AromaticContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 4.27Å; F95-F112 HydrophobicContact CZ-CG 4.02Å; F95-F115 HydrophobicContact CB-CE1 3.99Å; F95-F115 HydrophobicContact CB-CE2 4.15Å; F95-F115 HydrophobicContact CB-CZ 3.7Å; F95-F115 HydrophobicContact CD2-CB 4.49Å; F95-F115 AromaticContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD2 4.05Å; F95-F115 AromaticContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE2 4.19Å; F95-F115 AromaticContact CD2-CG 3.83Å; F95-F115 HydrophobicContact CD2-CG 3.83Å; F95-F115 HydrophobicContact CD2-CZ 4.12Å; F95-F115 HydrophobicContact CE2-CD1 4.45Å; F95-F115 HydrophobicContact CE2-CG 4.4Å; F95-F115 HydrophobicContact CG-CE1 4.42Å; F95-F115 HydrophobicContact CG-CZ 4.44Å
96H97.3Very high95Very high72 Ų7256.4 Ų56.433%0.33329%0.288SS..Hα-helixtrans-65.2-44.4177.1-176.880.1000111.3H67 Q92 T93 E94 Q98 G100H67-H96 AromaticContact CD2-CE1 3.62Å; H67-H96 AromaticContact CE1-CE1 3.86Å; H67-H96 AromaticContact CE1-ND1 3.98Å; H67-H96 AromaticContact CG-CE1 3.47Å; H67-H96 VanDerWaalsContact CG-CE1 3.47Å; H67-H96 AromaticContact CG-ND1 3.51Å; H67-H96 AromaticContact ND1-CE1 3.6Å; H67-H96 AromaticContact ND1-CG 3.9Å; H67-H96 AromaticContact ND1-ND1 3.39Å; H67-H96 PolarHBondContact ND1-ND1 2.89Å; H67-H96 AromaticContact NE2-CE1 3.85Å; Q92-H96 VanDerWaalsContact O-CB 3.23Å; Q92-H96 WeakPolarHBondContact O-CB 3.48Å; Q92-H96 PolarHBondContact O-N 3.06Å; T93-H96 PolarHBondContact O-N 2.88Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 3.3Å; H96-Q98 PolarHBondContact O-N 3.12Å; H96-G100 VanDerWaalsContact O-CA 3.3Å; H96-G100 WeakPolarHBondContact O-CA 3.21Å; H96-G100 PolarHBondContact O-N 3.39Å
97E97.3Very high94.9Very high153 Ų15361.3 Ų61.372%0.71532%0.323SS*.Hα-helixtrans-59.6-47.8178-173.5176.4174.700111.9T93 E94T93-E97 WeakPolarHBondContact O-CB 3.48Å; T93-E97 PolarHBondContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 3.48Å
98Q94.8Very high94.6Very high94 Ų9469.4 Ų69.444%0.43935%0.353SS..Hα-helixtrans-77.9-34.4-177-64.3-169.211.600113.8E94 H96E94-Q98 WeakPolarHBondContact O-CG 3.49Å; E94-Q98 PolarHBondContact O-N 2.9Å; E94-Q98 PolarHBondContact OE1-NE2 3.21Å; H96-Q98 PolarHBondContact O-N 3.12Å
99H95.3Very high94.4Very high33 Ų3372.2 Ų72.215%0.15337%0.371CS..Hα-helixtrans-133-9.9-163.2-59-33000115.2F95 K101 K102 V103 F112F95-H99 AromaticContact CD2-CD2 3.83Å; F95-H99 HydrophobicContact CE1-CB 4.31Å; F95-H99 HydrophobicContact CE2-CB 4.36Å; F95-H99 AromaticContact CE2-CD2 3.7Å; F95-H99 HydrophobicContact CZ-CB 4.19Å; F95-H99 WeakPolarHBondContact O-CA 3.13Å; F95-H99 WeakPolarHBondContact O-CB 3.33Å; F95-H99 PolarHBondContact O-N 3.28Å; H99-K101 VanDerWaalsContact C-N 3.31Å; H99-K101 PolarHBondContact O-N 2.93Å; H99-K101 VanDerWaalsContact O-N 3.11Å; H99-K102 WeakPolarHBondContact O-CA 3.27Å; H99-K102 WeakPolarHBondContact O-CB 3.35Å; H99-K102 PolarHBondContact O-N 3.34Å; H99-V103 PolarHBondContact O-N 3.29Å; H99-F112 HydrophobicContact CB-CD1 3.9Å; H99-F112 HydrophobicContact CB-CE1 3.7Å; H99-F112 HydrophobicContact CB-CZ 4.22Å; H99-F112 AromaticContact CD2-CD1 3.56Å; H99-F112 AromaticContact CG-CD1 3.48Å; H99-F112 VanDerWaalsContact CG-CD1 3.48Å; H99-F112 AromaticContact CG-CE1 3.7Å; H99-F112 AromaticContact ND1-CD1 3.83Å; H99-F112 AromaticContact ND1-CE1 3.98Å; H99-F112 AromaticContact NE2-CD1 3.91Å
100G94.7Very high94.2Very high17 Ų1773 Ų7318%0.17537%0.373CS..G310 helixtrans-50.4-44.4-170.200000114.4F95 H96 K102 V103F95-G100 PolarHBondContact O-N 3.28Å; H96-G100 VanDerWaalsContact O-CA 3.3Å; H96-G100 WeakPolarHBondContact O-CA 3.21Å; H96-G100 PolarHBondContact O-N 3.39Å; G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 3.4Å; G100-V103 PolarHBondContact O-N 3.05Å
101K95.7Very high93.8Very high201 Ų20172.2 Ų72.287%0.87437%0.372SS*.G310 helixtrans-67.6-25178.8-63.8179.8-178.3175.10114.2H99H99-K101 VanDerWaalsContact C-N 3.31Å; H99-K101 PolarHBondContact O-N 2.93Å; H99-K101 VanDerWaalsContact O-N 3.11Å
102K95.4Very high93.5Very high126 Ų12673 Ų7355%0.54838%0.376SS..G310 helixtrans-90.3-19.2-178.9-62.9178.2-178.3173.60112.5H99 G100 T105 V106 F112H99-K102 WeakPolarHBondContact O-CA 3.27Å; H99-K102 WeakPolarHBondContact O-CB 3.35Å; H99-K102 PolarHBondContact O-N 3.34Å; G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 3.4Å; K102-T105 PolarHBondContact O-N 3.23Å; K102-T105 VanDerWaalsContact O-N 3.12Å; K102-T105 PolarHBondContact O-OG1 3.04Å; K102-V106 PolarHBondContact O-N 3.1Å; K102-F112 HydrophobicContact CB-CE1 4.17Å; K102-F112 HydrophobicContact CB-CZ 4Å
103V96Very high93.1Very high7 Ų776.4 Ų76.44%0.04239%0.394CS..G310 helixtrans-51.9-47.2179.1173.50000113.5R9 L16 V69 F95 H99 G100 T105 V106 F112R9-V103 HydrophobicContact CG-CG1 4.29Å; R9-V103 PolarHBondContact NH1-O 3.08Å; L16-V103 HydrophobicContact CD1-CG1 3.88Å; L16-V103 HydrophobicContact CD1-CG2 4.18Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.24Å; F95-V103 HydrophobicContact CE1-CG2 3.68Å; F95-V103 HydrophobicContact CZ-CG2 4.31Å; H99-V103 PolarHBondContact O-N 3.29Å; G100-V103 PolarHBondContact O-N 3.05Å; V103-T105 VanDerWaalsContact C-N 3.26Å; V103-T105 PolarHBondContact O-N 3.2Å; V103-V106 VanDerWaalsContact O-CG2 3.3Å; V103-V106 WeakPolarHBondContact O-CG2 3.38Å; V103-F112 HydrophobicContact CG2-CE2 4.45Å
104P94.9Very high92.5Very high91 Ų9180.8 Ų80.859%0.59141%0.409SS*.G310 helixtrans-70.9-21-178.626.6-34.6000113.4R9R9-P104 PolarHBondContact NH1-O 2.99Å
105T94.9Very high92.2Very high110 Ų11078.6 Ų78.668%0.67540%0.399SS*.G310 helixtrans-89-17.6-17467.50000113.5K102 V103K102-T105 PolarHBondContact O-N 3.23Å; K102-T105 VanDerWaalsContact O-N 3.12Å; K102-T105 PolarHBondContact O-OG1 3.04Å; V103-T105 VanDerWaalsContact C-N 3.26Å; V103-T105 PolarHBondContact O-N 3.2Å
106V90.8Very high91.8Very high26 Ų2680.7 Ų80.716%0.15841%0.41CS..  trans-81142.4-178.8-640000111.7R9 L14 L16 K102 V103 F112R9-V106 PolarHBondContact NH1-O 2.74Å; R9-V106 PolarHBondContact NH2-O 3.25Å; L14-V106 HydrophobicContact CD2-CG2 4.33Å; L16-V106 HydrophobicContact CD2-CG2 4Å; K102-V106 PolarHBondContact O-N 3.1Å; V103-V106 VanDerWaalsContact O-CG2 3.3Å; V103-V106 WeakPolarHBondContact O-CG2 3.38Å; V106-F112 HydrophobicContact CG1-CE2 4.12Å; V106-F112 HydrophobicContact CG1-CZ 3.85Å; V106-F112 HydrophobicContact CG2-CE2 3.76Å; V106-F112 HydrophobicContact CG2-CZ 4.22Å
107S89.3Confident91.3Very high104 Ų10482.4 Ų82.473%0.72743%0.425SS*.  trans-120.6-17.5175.156.20000112.7
108R86.9Confident91Very high172 Ų17278 Ų7865%0.64940%0.403SS*.SBendtrans-82.8131-177.5-172.2-178.4-175.9-166.31.7110.9Y110 S111R108-Y110 PolarHBondContact O-N 2.9Å; R108-S111 PolarHBondContact O-N 3.22Å; R108-S111 PolarHBondContact O-OG 3.42Å
109P89.1Confident90.8Very high58 Ų5873.6 Ų73.638%0.37738%0.382SS..THydrogen-bonded Turntrans-59.5136172.2-24.633.5000112L14L14-P109 HydrophobicContact CD1-CB 4.26Å; L14-P109 HydrophobicContact CD1-CG 3.9Å
110Y89.4Confident90.5Very high50 Ų5076.1 Ų76.120%0.19639%0.394CS..THydrogen-bonded Turntrans58.650.3-176.8-51.3-84.1000112.3P15 L16 A18 R108 F112 I113P15-Y110 HydrophobicContact CB-CD1 4.07Å; P15-Y110 HydrophobicContact CB-CD2 4.41Å; P15-Y110 HydrophobicContact CB-CE1 3.69Å; P15-Y110 HydrophobicContact CB-CE2 4.07Å; P15-Y110 HydrophobicContact CB-CG 4.41Å; P15-Y110 HydrophobicContact CG-CE2 4.48Å; P15-Y110 PolarHBondContact O-N 2.8Å; L16-Y110 CarbonylContact O-C 3.54Å; L16-Y110 VanDerWaalsContact O-CA 3.3Å; L16-Y110 WeakPolarHBondContact O-CA 3.36Å; A18-Y110 HydrophobicContact CB-CD1 4.5Å; A18-Y110 HydrophobicContact CB-CE1 3.84Å; R108-Y110 PolarHBondContact O-N 2.9Å; Y110-F112 PolarHBondContact O-N 3.34Å; Y110-I113 VanDerWaalsContact CB-CG2 3.46Å; Y110-I113 HydrophobicContact CG-CG2 4.42Å; Y110-I113 WeakPolarHBondContact O-CG2 3.38Å
111S85.3Confident90.3Very high45 Ų4582 Ų8232%0.31542%0.415SS..THydrogen-bonded Turntrans-67.9-17176.5-71.50000113.2L16 R108L16-S111 PolarHBondContact O-N 3.43Å; R108-S111 PolarHBondContact O-N 3.22Å; R108-S111 PolarHBondContact O-OG 3.42Å
112F90.6Very high90.1Very high16 Ų1672.9 Ų72.97%0.0738%0.375CS..THydrogen-bonded Turntrans-120.638.1-176.4-52.6-80.4000111.7L16 A17 F95 H99 K102 V103 V106 Y110 E114 F115L16-F112 HydrophobicContact CB-CD2 3.93Å; L16-F112 HydrophobicContact CD2-CD2 4.14Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 HydrophobicContact CG-CD2 4.48Å; L16-F112 CarbonylContact O-C 3.45Å; L16-F112 WeakPolarHBondContact O-CA 3.31Å; L16-F112 PolarHBondContact O-N 2.89Å; A17-F112 WeakPolarHBondContact CB-O 3.3Å; F95-F112 HydrophobicContact CE2-CB 3.87Å; F95-F112 HydrophobicContact CE2-CD2 4.27Å; F95-F112 HydrophobicContact CE2-CG 4.07Å; F95-F112 HydrophobicContact CZ-CB 4.27Å; F95-F112 AromaticContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 4.27Å; F95-F112 HydrophobicContact CZ-CG 4.02Å; H99-F112 HydrophobicContact CB-CD1 3.9Å; H99-F112 HydrophobicContact CB-CE1 3.7Å; H99-F112 HydrophobicContact CB-CZ 4.22Å; H99-F112 AromaticContact CD2-CD1 3.56Å; H99-F112 AromaticContact CG-CD1 3.48Å; H99-F112 VanDerWaalsContact CG-CD1 3.48Å; H99-F112 AromaticContact CG-CE1 3.7Å; H99-F112 AromaticContact ND1-CD1 3.83Å; H99-F112 AromaticContact ND1-CE1 3.98Å; H99-F112 AromaticContact NE2-CD1 3.91Å; K102-F112 HydrophobicContact CB-CE1 4.17Å; K102-F112 HydrophobicContact CB-CZ 4Å; V103-F112 HydrophobicContact CG2-CE2 4.45Å; V106-F112 HydrophobicContact CG1-CE2 4.12Å; V106-F112 HydrophobicContact CG1-CZ 3.85Å; V106-F112 HydrophobicContact CG2-CE2 3.76Å; V106-F112 HydrophobicContact CG2-CZ 4.22Å; Y110-F112 PolarHBondContact O-N 3.34Å; F112-E114 PolarHBondContact O-N 3.4Å; F112-E114 VanDerWaalsContact O-N 3.13Å; F112-F115 VanDerWaalsContact O-CB 3.28Å; F112-F115 WeakPolarHBondContact O-CB 3.29Å; F112-F115 PolarHBondContact O-N 3.03Å; F112-F115 VanDerWaalsContact O-N 3.08Å
113I87.3Confident89.9Confident100 Ų10067.1 Ų67.151%0.51335%0.35SS..G310 helixtrans-54.6-29.6179.247.6174.5000113.9Y110 F115 D116Y110-I113 VanDerWaalsContact CB-CG2 3.46Å; Y110-I113 HydrophobicContact CG-CG2 4.42Å; Y110-I113 WeakPolarHBondContact O-CG2 3.38Å; I113-F115 PolarHBondContact O-N 3.15Å; I113-D116 VanDerWaalsContact O-CB 3.23Å; I113-D116 WeakPolarHBondContact O-CB 3.34Å; I113-D116 PolarHBondContact O-N 3.42Å
114E83.6Confident89.5Confident171 Ų17173.5 Ų73.580%0.79938%0.378SS*.G310 helixtrans-63.2-24.7-179-63.8176.9176.800112F112 D116 T117F112-E114 PolarHBondContact O-N 3.4Å; F112-E114 VanDerWaalsContact O-N 3.13Å; E114-D116 PolarHBondContact O-N 3.11Å; E114-D116 VanDerWaalsContact O-N 3.15Å; E114-T117 PolarHBondContact O-N 2.92Å
115F90.7Very high89.1Confident5 Ų572.6 Ų72.62%0.02237%0.368CS..G310 helixtrans-65.2-14.9175.7-161.6-103.3000113.2I7 A17 L91 E94 F95 F112 I113 T117 Y118 I119I7-F115 HydrophobicContact CD1-CD1 3.78Å; I7-F115 HydrophobicContact CD1-CE1 3.74Å; A17-F115 HydrophobicContact CB-CB 4.27Å; L91-F115 HydrophobicContact CD2-CE1 4.18Å; E94-F115 HydrophobicContact CB-CE2 4.31Å; E94-F115 HydrophobicContact CB-CZ 4.12Å; E94-F115 HydrophobicContact CG-CE2 3.8Å; E94-F115 HydrophobicContact CG-CZ 4.07Å; F95-F115 HydrophobicContact CB-CE1 3.99Å; F95-F115 HydrophobicContact CB-CE2 4.15Å; F95-F115 HydrophobicContact CB-CZ 3.7Å; F95-F115 HydrophobicContact CD2-CB 4.49Å; F95-F115 AromaticContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD2 4.05Å; F95-F115 AromaticContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE2 4.19Å; F95-F115 AromaticContact CD2-CG 3.83Å; F95-F115 HydrophobicContact CD2-CG 3.83Å; F95-F115 HydrophobicContact CD2-CZ 4.12Å; F95-F115 HydrophobicContact CE2-CD1 4.45Å; F95-F115 HydrophobicContact CE2-CG 4.4Å; F95-F115 HydrophobicContact CG-CE1 4.42Å; F95-F115 HydrophobicContact CG-CZ 4.44Å; F112-F115 VanDerWaalsContact O-CB 3.28Å; F112-F115 WeakPolarHBondContact O-CB 3.29Å; F112-F115 PolarHBondContact O-N 3.03Å; F112-F115 VanDerWaalsContact O-N 3.08Å; I113-F115 PolarHBondContact O-N 3.15Å; F115-T117 PolarHBondContact O-N 3.48Å; F115-Y118 HydrophobicContact CE1-CD1 4.04Å; F115-Y118 AromaticContact CE2-CD1 3.99Å; F115-Y118 HydrophobicContact CE2-CD1 3.99Å; F115-Y118 HydrophobicContact CE2-CG 4.11Å; F115-Y118 AromaticContact CZ-CD1 3.5Å; F115-Y118 HydrophobicContact CZ-CD1 3.5Å; F115-Y118 HydrophobicContact CZ-CE1 4.1Å; F115-Y118 HydrophobicContact CZ-CG 4.09Å; F115-Y118 WeakPolarHBondContact O-CB 3.46Å; F115-Y118 PolarHBondContact O-N 3.04Å; F115-I119 HydrophobicContact CD1-CD1 3.77Å; F115-I119 HydrophobicContact CD1-CG1 3.63Å; F115-I119 HydrophobicContact CE1-CD1 4.35Å; F115-I119 HydrophobicContact CE1-CG1 3.84Å; F115-I119 WeakPolarHBondContact O-CG1 3.44Å; F115-I119 PolarHBondContact O-N 2.84Å
116D88.2Confident88.6Confident44 Ų4467.6 Ų67.624%0.23534%0.337CS..Hα-helixtrans-55.3-35.1173.7-179.635.1000112.3S19 I113 E114 Y118 I119 Q120S19-D116 WeakPolarHBondContact CA-OD1 3.42Å; S19-D116 WeakPolarHBondContact CB-OD1 3.41Å; S19-D116 PolarHBondContact OG-OD1 2.75Å; I113-D116 VanDerWaalsContact O-CB 3.23Å; I113-D116 WeakPolarHBondContact O-CB 3.34Å; I113-D116 PolarHBondContact O-N 3.42Å; E114-D116 PolarHBondContact O-N 3.11Å; E114-D116 VanDerWaalsContact O-N 3.15Å; D116-Y118 VanDerWaalsContact C-N 3.32Å; D116-Y118 PolarHBondContact O-N 2.86Å; D116-I119 PolarHBondContact O-N 2.88Å; D116-Q120 VanDerWaalsContact CG-NE2 3.28Å; D116-Q120 WeakPolarHBondContact O-CG 3.49Å; D116-Q120 PolarHBondContact O-N 3.44Å; D116-Q120 PolarHBondContact OD1-NE2 2.82Å; D116-Q120 VanDerWaalsContact OD1-NE2 3.12Å; D116-Q120 PolarHBondContact OD2-NE2 3.38Å
117T87.6Confident88.2Confident107 Ų10768.7 Ų68.766%0.65634%0.341SS*.Hα-helixtrans-62.1-41.1177.1-61.90000111.7E114 F115 K121E114-T117 PolarHBondContact O-N 2.92Å; F115-T117 PolarHBondContact O-N 3.48Å; T117-K121 WeakPolarHBondContact O-CB 3.47Å; T117-K121 PolarHBondContact O-N 3.47Å; T117-K121 VanDerWaalsContact O-N 3.12Å
118Y90.4Very high87.7Confident62 Ų6267.8 Ų67.824%0.24333%0.328CS..Hα-helixtrans-67.2-46.5174.6-172.6-91000110.9L91 E94 F115 D116 Q120 K121 T122L91-Y118 HydrophobicContact CD2-CD1 3.71Å; L91-Y118 HydrophobicContact CD2-CE1 3.83Å; E94-Y118 HydrophobicContact CB-CD1 4.37Å; E94-Y118 HydrophobicContact CB-CE1 3.64Å; E94-Y118 HydrophobicContact CB-CE2 4.23Å; E94-Y118 WeakPolarHBondContact CB-OH 3.45Å; E94-Y118 VanDerWaalsContact CD-CE2 3.45Å; E94-Y118 HydrophobicContact CG-CD1 4.1Å; E94-Y118 HydrophobicContact CG-CD2 3.97Å; E94-Y118 HydrophobicContact CG-CE1 3.69Å; E94-Y118 HydrophobicContact CG-CE2 3.52Å; E94-Y118 HydrophobicContact CG-CG 4.22Å; E94-Y118 VanDerWaalsContact OE2-CE2 3.25Å; E94-Y118 WeakPolarHBondContact OE2-CE2 3.44Å; E94-Y118 VanDerWaalsContact OE2-CZ 3.26Å; E94-Y118 PolarHBondContact OE2-OH 3.06Å; F115-Y118 HydrophobicContact CE1-CD1 4.04Å; F115-Y118 AromaticContact CE2-CD1 3.99Å; F115-Y118 HydrophobicContact CE2-CD1 3.99Å; F115-Y118 HydrophobicContact CE2-CG 4.11Å; F115-Y118 AromaticContact CZ-CD1 3.5Å; F115-Y118 HydrophobicContact CZ-CD1 3.5Å; F115-Y118 HydrophobicContact CZ-CE1 4.1Å; F115-Y118 HydrophobicContact CZ-CG 4.09Å; F115-Y118 WeakPolarHBondContact O-CB 3.46Å; F115-Y118 PolarHBondContact O-N 3.04Å; D116-Y118 VanDerWaalsContact C-N 3.32Å; D116-Y118 PolarHBondContact O-N 2.86Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.43Å; Y118-K121 PolarHBondContact O-N 2.75Å; Y118-K121 VanDerWaalsContact O-N 3.14Å; Y118-T122 VanDerWaalsContact CE1-OG1 3.25Å; Y118-T122 WeakPolarHBondContact CE1-OG1 3.19Å; Y118-T122 PolarHBondContact O-N 2.82Å; Y118-T122 PolarHBondContact O-OG1 3.43Å; Y118-T122 VanDerWaalsContact O-OG1 3.14Å
119I90.7Very high86.6Confident0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-53.1-49.2177.5-66166.9000110.9T5 I7 A17 Y87 L91 F115 D116 K123T5-I119 HydrophobicContact CG2-CG2 3.94Å; I7-I119 HydrophobicContact CD1-CD1 4.14Å; A17-I119 HydrophobicContact CB-CD1 4.21Å; Y87-I119 VanDerWaalsContact OH-CG2 3.27Å; Y87-I119 WeakPolarHBondContact OH-CG2 3.48Å; L91-I119 HydrophobicContact CD1-CG1 4.31Å; L91-I119 HydrophobicContact CD1-CG2 4.45Å; L91-I119 HydrophobicContact CD2-CB 4.45Å; L91-I119 HydrophobicContact CD2-CG1 4.01Å; F115-I119 HydrophobicContact CD1-CD1 3.77Å; F115-I119 HydrophobicContact CD1-CG1 3.63Å; F115-I119 HydrophobicContact CE1-CD1 4.35Å; F115-I119 HydrophobicContact CE1-CG1 3.84Å; F115-I119 WeakPolarHBondContact O-CG1 3.44Å; F115-I119 PolarHBondContact O-N 2.84Å; D116-I119 PolarHBondContact O-N 2.88Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.82Å
120Q89.9Confident85.3Confident87 Ų8769.5 Ų69.541%0.40734%0.339SS..Hα-helixtrans-65.3-40.9-179.9-68.5-179.225.300112.7S19 D116 Y118 K124S19-Q120 WeakPolarHBondContact OG-CG 3.35Å; D116-Q120 VanDerWaalsContact CG-NE2 3.28Å; D116-Q120 WeakPolarHBondContact O-CG 3.49Å; D116-Q120 PolarHBondContact O-N 3.44Å; D116-Q120 PolarHBondContact OD1-NE2 2.82Å; D116-Q120 VanDerWaalsContact OD1-NE2 3.12Å; D116-Q120 PolarHBondContact OD2-NE2 3.38Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.43Å; Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 2.92Å; Q120-K124 VanDerWaalsContact O-N 3.08Å
121K90.4Very high83.9Confident141 Ų14168.2 Ų68.261%0.61334%0.339SS*.Hα-helixtrans-63.2-51.3177.9-177-176.3176-172.10111T117 Y118 K124 N125T117-K121 WeakPolarHBondContact O-CB 3.47Å; T117-K121 PolarHBondContact O-N 3.47Å; T117-K121 VanDerWaalsContact O-N 3.12Å; Y118-K121 PolarHBondContact O-N 2.75Å; Y118-K121 VanDerWaalsContact O-N 3.14Å; K121-K124 PolarHBondContact O-N 3.02Å; K121-N125 PolarHBondContact O-N 3.33Å
122T91.1Very high82.7Confident8 Ų869.9 Ų69.95%0.04934%0.338CS..Hα-helixtrans-64.6-42.7180-53.60000110.4Y87 D90 L91 Y118 K124 N125 Y126Y87-T122 HydrophobicContact CD2-CG2 3.95Å; Y87-T122 HydrophobicContact CE2-CG2 4.28Å; D90-T122 HydrophobicContact CB-CG2 4.06Å; L91-T122 HydrophobicContact CD2-CG2 4.44Å; Y118-T122 VanDerWaalsContact CE1-OG1 3.25Å; Y118-T122 WeakPolarHBondContact CE1-OG1 3.19Å; Y118-T122 PolarHBondContact O-N 2.82Å; Y118-T122 PolarHBondContact O-OG1 3.43Å; Y118-T122 VanDerWaalsContact O-OG1 3.14Å; T122-K124 VanDerWaalsContact C-N 3.32Å; T122-K124 PolarHBondContact O-N 3.48Å; T122-N125 WeakPolarHBondContact O-CB 3.28Å; T122-N125 PolarHBondContact O-N 2.87Å; T122-Y126 HydrophobicContact CG2-CD2 4.02Å; T122-Y126 HydrophobicContact CG2-CE2 3.86Å; T122-Y126 WeakPolarHBondContact O-CD2 2.98Å; T122-Y126 PolarHBondContact O-N 3.37Å
123K90.4Very high81Confident5 Ų578.8 Ų78.82%0.02237%0.371CS..Hα-helixtrans-54.1-46.2174.8-178-173.5-63176.80112.1V2 Y87 I119 N125 Y126 I127V2-K123 HydrophobicContact CB-CG 4.47Å; V2-K123 HydrophobicContact CG1-CD 4.5Å; Y87-K123 HydrophobicContact CE2-CB 3.86Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.82Å; K123-N125 VanDerWaalsContact C-N 3.31Å; K123-N125 PolarHBondContact O-N 3.12Å; K123-Y126 PolarHBondContact O-N 2.86Å; K123-I127 HydrophobicContact CD-CD1 4.17Å; K123-I127 HydrophobicContact CG-CD1 3.62Å; K123-I127 HydrophobicContact CG-CG1 4.35Å; K123-I127 WeakPolarHBondContact O-CG1 3.36Å; K123-I127 PolarHBondContact O-N 2.74Å
124K88.6Confident79.4Confident141 Ų14181 Ų8161%0.61338%0.384SS*.Hα-helixtrans-59.1-41177.4-76.2178.4-179.4-179.60112.2Q120 K121 T122 Y126 I127 D128Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 2.92Å; Q120-K124 VanDerWaalsContact O-N 3.08Å; K121-K124 PolarHBondContact O-N 3.02Å; T122-K124 VanDerWaalsContact C-N 3.32Å; T122-K124 PolarHBondContact O-N 3.48Å; K124-Y126 VanDerWaalsContact C-N 3.31Å; K124-Y126 PolarHBondContact O-N 2.84Å; K124-I127 PolarHBondContact O-N 2.94Å; K124-D128 WeakPolarHBondContact O-CB 3.19Å; K124-D128 PolarHBondContact O-N 3.1Å
125N86.7Confident78.2Confident72 Ų7275.2 Ų75.239%0.38536%0.358SS..Hα-helixtrans-63.3-35.9179-63.5-17.4000112.8K121 T122 K123 A131K121-N125 PolarHBondContact O-N 3.33Å; T122-N125 WeakPolarHBondContact O-CB 3.28Å; T122-N125 PolarHBondContact O-N 2.87Å; K123-N125 VanDerWaalsContact C-N 3.31Å; K123-N125 PolarHBondContact O-N 3.12Å; N125-A131 WeakPolarHBondContact O-CB 3.23Å
126Y84.2Confident76.3Confident5 Ų577.2 Ų77.22%0.0238%0.381CS..Hα-helixtrans-80.7-29.8178.5-82.3-97.2000113.1L83 G86 Y87 D90 T122 K123 K124 R132 I138L83-Y126 HydrophobicContact CB-CD1 4.48Å; L83-Y126 WeakPolarHBondContact O-CD1 3.38Å; G86-Y126 VanDerWaalsContact C-OH 3.3Å; G86-Y126 PolarHBondContact O-OH 2.76Å; Y87-Y126 HydrophobicContact CD2-CD2 4.14Å; Y87-Y126 HydrophobicContact CD2-CG 4.46Å; Y87-Y126 VanDerWaalsContact N-CE1 3.27Å; D90-Y126 VanDerWaalsContact CG-OH 3.22Å; D90-Y126 WeakPolarHBondContact OD2-CE2 3.34Å; D90-Y126 VanDerWaalsContact OD2-CZ 3.25Å; D90-Y126 PolarHBondContact OD2-OH 2.87Å; T122-Y126 HydrophobicContact CG2-CD2 4.02Å; T122-Y126 HydrophobicContact CG2-CE2 3.86Å; T122-Y126 WeakPolarHBondContact O-CD2 2.98Å; T122-Y126 PolarHBondContact O-N 3.37Å; K123-Y126 PolarHBondContact O-N 2.86Å; K124-Y126 VanDerWaalsContact C-N 3.31Å; K124-Y126 PolarHBondContact O-N 2.84Å; Y126-R132 PolarHBondContact O-NE 2.66Å; Y126-R132 PolarHBondContact O-NH2 3.38Å; Y126-I138 HydrophobicContact CE1-CD1 4.13Å; Y126-I138 VanDerWaalsContact OH-CD1 3.28Å; Y126-I138 WeakPolarHBondContact OH-CD1 3.19Å
127I82.4Confident74.5Confident49 Ų4979.5 Ų79.525%0.25140%0.4SS..Hα-helixtrans-78.8-38.7177.6-65.2175000111.4V2 K123 K124 S129 R132V2-I127 HydrophobicContact CB-CD1 4.42Å; K123-I127 HydrophobicContact CD-CD1 4.17Å; K123-I127 HydrophobicContact CG-CD1 3.62Å; K123-I127 HydrophobicContact CG-CG1 4.35Å; K123-I127 WeakPolarHBondContact O-CG1 3.36Å; K123-I127 PolarHBondContact O-N 2.74Å; K124-I127 PolarHBondContact O-N 2.94Å; I127-S129 PolarHBondContact O-N 2.72Å; I127-R132 PolarHBondContact O-NH2 3.44Å
128D78.3Confident72.9Confident85 Ų8576.5 Ų76.546%0.45538%0.38SS..  trans-75.3112.1-176.7-171.7-9.4000112.4K124 R130 A131 R132K124-D128 WeakPolarHBondContact O-CB 3.19Å; K124-D128 PolarHBondContact O-N 3.1Å; D128-R130 PolarHBondContact O-N 3.42Å; D128-R130 VanDerWaalsContact O-N 3.1Å; D128-R130 WeakPolarHBondContact OD1-CB 3.18Å; D128-R130 PolarHBondContact OD1-N 3.07Å; D128-A131 HydrophobicContact CB-CB 4.14Å; D128-A131 WeakPolarHBondContact O-CB 3.33Å; D128-A131 PolarHBondContact O-N 3.41Å; D128-R132 WeakPolarHBondContact O-CG 3.39Å; D128-R132 PolarHBondContact O-N 3.3Å; D128-R132 VanDerWaalsContact O-N 3.09Å
129S64.7Low70.8Confident75 Ų7578.6 Ų78.652%0.52440%0.395SS..THydrogen-bonded Turntrans-55.6-24.9177-60.80000114.2I127I127-S129 PolarHBondContact O-N 2.72Å
130R60.7Low68.9Low191 Ų19183.8 Ų83.872%0.72143%0.427SS*.THydrogen-bonded Turntrans-76.1-39.6175.5-66.4-177.2-179.1-172.51.7111.9D128 R132 R133D128-R130 PolarHBondContact O-N 3.42Å; D128-R130 VanDerWaalsContact O-N 3.1Å; D128-R130 WeakPolarHBondContact OD1-CB 3.18Å; D128-R130 PolarHBondContact OD1-N 3.07Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R133 PolarHBondContact O-N 3.43Å
131A59.2Low67.1Low24 Ų2488.1 Ų88.120%0.19845%0.447CS..G310 helixtrans-66.4-33.4174.500000111.8N125 D128 R133 N134N125-A131 WeakPolarHBondContact O-CB 3.23Å; D128-A131 HydrophobicContact CB-CB 4.14Å; D128-A131 WeakPolarHBondContact O-CB 3.33Å; D128-A131 PolarHBondContact O-N 3.41Å; A131-R133 PolarHBondContact O-N 3.28Å; A131-N134 PolarHBondContact O-N 2.81Å
132R60.2Low65.6Low79 Ų7982.1 Ų82.130%0.29842%0.421SS..G310 helixtrans-57.4-28.7176.4-66.5-179.9-155.1170.28.8114.7Y126 I127 D128 R130 N134 L135Y126-R132 PolarHBondContact O-NE 2.66Å; Y126-R132 PolarHBondContact O-NH2 3.38Å; I127-R132 PolarHBondContact O-NH2 3.44Å; D128-R132 WeakPolarHBondContact O-CG 3.39Å; D128-R132 PolarHBondContact O-N 3.3Å; D128-R132 VanDerWaalsContact O-N 3.09Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R132-N134 VanDerWaalsContact C-N 3.29Å; R132-N134 PolarHBondContact O-N 2.92Å; R132-L135 PolarHBondContact O-N 2.61Å
133R56.8Low63.8Low203 Ų20389.3 Ų89.377%0.76646%0.455SS*.G310 helixtrans-68.4-26.7176.9-81.5-170.3-76.3-161.1-2.9113.3R130 A131R130-R133 PolarHBondContact O-N 3.43Å; A131-R133 PolarHBondContact O-N 3.28Å
134N53.5Low62.3Low146 Ų14692.9 Ų92.978%0.78147%0.474SS*.THydrogen-bonded Turntrans-84.2-13.5175.2-65.4-27.6000112.5A131 R132 G136A131-N134 PolarHBondContact O-N 2.81Å; R132-N134 VanDerWaalsContact C-N 3.29Å; R132-N134 PolarHBondContact O-N 2.92Å; N134-G136 PolarHBondContact O-N 2.81Å
135L56.8Low61.2Low50 Ų5088.4 Ų88.426%0.26246%0.458SS..THydrogen-bonded Turntrans-85.517.9175.6-61.9175.7000112.8R132 S137 I138R132-L135 PolarHBondContact O-N 2.61Å; L135-S137 PolarHBondContact O-N 2.63Å; L135-I138 HydrophobicContact CB-CD1 3.9Å; L135-I138 HydrophobicContact CB-CG1 4.21Å; L135-I138 HydrophobicContact CD1-CD1 4.12Å; L135-I138 HydrophobicContact CD2-CD1 3.91Å; L135-I138 HydrophobicContact CG-CD1 4.19Å; L135-I138 WeakPolarHBondContact O-CB 3.46Å; L135-I138 PolarHBondContact O-N 3Å
136G52.4Low60.1Low48 Ų4894.1 Ų94.150%0.49548%0.483SS..G310 helixtrans-55.5-18.1-175.400000115.3N134 N139N134-G136 PolarHBondContact O-N 2.81Å; G136-N139 PolarHBondContact O-ND2 2.8Å
137S49.9Very low59.7Low92 Ų92103.1 Ų103.164%0.64352%0.517SS*.G310 helixtrans-83.1-10.1174.556.90000115.2L135 N139 T140L135-S137 PolarHBondContact O-N 2.63Å; S137-N139 PolarHBondContact O-N 3.4Å; S137-T140 PolarHBondContact O-N 3.23Å; S137-T140 PolarHBondContact O-OG1 3.43Å
138I53.2Low60Low44 Ų44101.6 Ų101.623%0.22651%0.509CS..G310 helixtrans-67-2.9172.8-65.7-172.4000111.8Y126 L135 T140 L142Y126-I138 HydrophobicContact CE1-CD1 4.13Å; Y126-I138 VanDerWaalsContact OH-CD1 3.28Å; Y126-I138 WeakPolarHBondContact OH-CD1 3.19Å; L135-I138 HydrophobicContact CB-CD1 3.9Å; L135-I138 HydrophobicContact CB-CG1 4.21Å; L135-I138 HydrophobicContact CD1-CD1 4.12Å; L135-I138 HydrophobicContact CD2-CD1 3.91Å; L135-I138 HydrophobicContact CG-CD1 4.19Å; L135-I138 WeakPolarHBondContact O-CB 3.46Å; L135-I138 PolarHBondContact O-N 3Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 2.99Å; I138-L142 HydrophobicContact CG2-CD1 3.6Å
139N47.7Very low60.6Low105 Ų105101.3 Ų101.356%0.56151%0.506SS*.G310 helixtrans-72.6-16175.3-83.1-55000115K82 G136 S137K82-N139 PolarHBondContact NZ-OD1 3.29Å; G136-N139 PolarHBondContact O-ND2 2.8Å; S137-N139 PolarHBondContact O-N 3.4Å
140T50.7Low61.9Low109 Ų109100.9 Ų100.967%0.66950%0.5SS*.THydrogen-bonded Turntrans-90.9-21.3-170.713.30000115.8S137 I138S137-T140 PolarHBondContact O-N 3.23Å; S137-T140 PolarHBondContact O-OG1 3.43Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 2.99Å
141E52Low63.5Low178 Ų17892.8 Ų92.883%0.83247%0.473SS*.THydrogen-bonded Turntrans-111.9-19.1-176.7-72.2-178.4170.700114.9Q143E141-Q143 VanDerWaalsContact C-N 3.26Å; E141-Q143 PolarHBondContact O-N 3.47Å; E141-Q143 VanDerWaalsContact O-N 3.13Å
142L57.8Low65.1Low15 Ų1594.5 Ų94.58%0.07948%0.479CS..  trans-88.442.3178.8-75.6169000113.2K82 F85 E89 I138 D144K82-L142 HydrophobicContact CG-CB 4.16Å; K82-L142 HydrophobicContact CG-CD1 3.68Å; K82-L142 WeakPolarHBondContact O-CD1 3.33Å; F85-L142 HydrophobicContact CB-CD2 4.29Å; E89-L142 WeakPolarHBondContact OE2-CD2 3.4Å; I138-L142 HydrophobicContact CG2-CD1 3.6Å; L142-D144 PolarHBondContact O-N 3.43Å
143Q52.9Low66.6Low160 Ų16090.8 Ų90.875%0.74847%0.465SS*.THydrogen-bonded Turntrans-73.2-11.1178.7-71.8-167.3-14.100113.6E141E141-Q143 VanDerWaalsContact C-N 3.26Å; E141-Q143 PolarHBondContact O-N 3.47Å; E141-Q143 VanDerWaalsContact O-N 3.13Å
144D60.2Low68Low79 Ų7986 Ų8642%0.42245%0.452SS..THydrogen-bonded Turntrans-113.732.7-169-83.2-32.8000115.9L142 Q146 R147L142-D144 PolarHBondContact O-N 3.43Å; D144-Q146 PolarHBondContact O-N 3.23Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; D144-R147 HydrophobicContact CB-CB 4.43Å; D144-R147 HydrophobicContact CB-CG 4.32Å; D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 IonicContact OD1-CZ 3.19Å; D144-R147 IonicContact OD1-NE 3.45Å; D144-R147 PolarHBondContact OD1-NE 2.84Å; D144-R147 IonicContact OD1-NH1 2.98Å; D144-R147 PolarHBondContact OD1-NH1 3.35Å; D144-R147 IonicContact OD1-NH2 3.9Å; D144-R147 IonicContact OD2-CZ 3.56Å; D144-R147 IonicContact OD2-NH1 2.61Å; D144-R147 PolarHBondContact OD2-NH1 3.45Å
145V63.9Low69.6Low48 Ų4885.3 Ų85.329%0.29144%0.444SS..G310 helixtrans-56.4-28.2172.6179.90000111.6K81 K82 R147 I148K81-V145 HydrophobicContact CB-CG1 4.38Å; K82-V145 HydrophobicContact CB-CG2 4.33Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 3.38Å; V145-I148 HydrophobicContact CB-CD1 4.26Å; V145-I148 HydrophobicContact CG1-CD1 4.02Å; V145-I148 WeakPolarHBondContact O-CB 3.39Å; V145-I148 WeakPolarHBondContact O-CG1 3.26Å; V145-I148 PolarHBondContact O-N 2.91Å
146Q63.6Low71Confident192 Ų19284.8 Ų84.890%0.89744%0.443SS*.G310 helixtrans-66.8-20.7177.7-66.1-178-9.900114.1D144 I148D144-Q146 PolarHBondContact O-N 3.23Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; Q146-I148 VanDerWaalsContact C-N 3.32Å
147R77.8Confident72.6Confident194 Ų19483 Ų8373%0.73242%0.422SS*.G310 helixtrans-87.9-0.9179.8-64.5-176.8175.41434.7113.3D144 V145 M149D144-R147 HydrophobicContact CB-CB 4.43Å; D144-R147 HydrophobicContact CB-CG 4.32Å; D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 IonicContact OD1-CZ 3.19Å; D144-R147 IonicContact OD1-NE 3.45Å; D144-R147 PolarHBondContact OD1-NE 2.84Å; D144-R147 IonicContact OD1-NH1 2.98Å; D144-R147 PolarHBondContact OD1-NH1 3.35Å; D144-R147 IonicContact OD1-NH2 3.9Å; D144-R147 IonicContact OD2-CZ 3.56Å; D144-R147 IonicContact OD2-NH1 2.61Å; D144-R147 PolarHBondContact OD2-NH1 3.45Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 3.38Å; R147-M149 PolarHBondContact O-N 3.25Å
148I87.2Confident73.7Confident17 Ų1784.3 Ų84.39%0.08742%0.418CS..  trans-78122.4-177.3-62.5168.6000109.1R51 F85 V145 Q146 V150R51-I148 HydrophobicContact CB-CG1 4.32Å; F85-I148 HydrophobicContact CD1-CD1 4.29Å; F85-I148 HydrophobicContact CD2-CD1 3.55Å; F85-I148 HydrophobicContact CE1-CD1 4.26Å; F85-I148 HydrophobicContact CE1-CG2 4.39Å; F85-I148 HydrophobicContact CE2-CD1 3.55Å; F85-I148 HydrophobicContact CE2-CG1 4.44Å; F85-I148 HydrophobicContact CE2-CG2 3.91Å; F85-I148 HydrophobicContact CG-CD1 3.95Å; F85-I148 HydrophobicContact CZ-CD1 3.91Å; F85-I148 HydrophobicContact CZ-CG1 4.36Å; F85-I148 HydrophobicContact CZ-CG2 3.58Å; V145-I148 HydrophobicContact CB-CD1 4.26Å; V145-I148 HydrophobicContact CG1-CD1 4.02Å; V145-I148 WeakPolarHBondContact O-CB 3.39Å; V145-I148 WeakPolarHBondContact O-CG1 3.26Å; V145-I148 PolarHBondContact O-N 2.91Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 2.99Å
149M90.8Very high74.3Confident79 Ų7992.5 Ų92.539%0.38945%0.446SS..EExtended strand (participates in β ladder)trans-64.9135.7175.3-171.9175.596.100110.1P49 R51 C52 T53 R147 A151P49-M149 HydrophobicContact CB-CB 4.31Å; P49-M149 HydrophobicContact CB-SD 4.36Å; P49-M149 HydrophobicContact CG-CB 4.27Å; P49-M149 HydrophobicContact CG-CE 3.59Å; P49-M149 HydrophobicContact CG-CG 4.45Å; P49-M149 HydrophobicContact CG-SD 3.36Å; P49-M149 WeakPolarHBondContact CG-SD 3.41Å; R51-M149 PolarHBondContact O-N 3.17Å; C52-M149 CarbonylContact C-O 3.49Å; C52-M149 VanDerWaalsContact CA-O 3.22Å; C52-M149 WeakPolarHBondContact CA-O 3.35Å; C52-M149 HydrophobicContact CB-CB 4.29Å; C52-M149 PolarHBondContact SG-O 3.41Å; T53-M149 PolarHBondContact N-O 2.78Å; R147-M149 PolarHBondContact O-N 3.25Å; M149-A151 HydrophobicContact CE-CB 4.1Å
150V93.6Very high74.7Confident66 Ų6689.6 Ų89.640%0.444%0.441SS..EExtended strand (participates in β ladder)trans-116.2128.5172.1-173.60000108.4T53 E55 I148T53-V150 VanDerWaalsContact O-CA 3.31Å; T53-V150 WeakPolarHBondContact O-CA 3.28Å; E55-V150 HydrophobicContact CG-CG1 4.02Å; E55-V150 WeakPolarHBondContact OE1-CG1 3.49Å; I148-V150 PolarHBondContact O-N 2.99Å
151A93.2Very high74.7Confident20 Ų2089.8 Ų89.817%0.16543%0.434CS..EExtended strand (participates in β ladder)trans-144.9168.6176.100000110.7T53 L54 E55 M149 V156T53-A151 PolarHBondContact O-N 3.38Å; L54-A151 CarbonylContact C-O 3.46Å; L54-A151 WeakPolarHBondContact CA-O 3.44Å; L54-A151 HydrophobicContact CD2-CB 3.82Å; E55-A151 PolarHBondContact N-O 2.84Å; M149-A151 HydrophobicContact CE-CB 4.1Å; A151-V156 HydrophobicContact CB-CG2 4.49Å
152N93.3Very high74.6Confident61 Ų6186.1 Ų86.133%0.32643%0.434SS..EExtended strand (participates in β ladder)trans-84.1138.7172.9-172.8-44.4000110E154 E155 V156N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact ND2-OE2 2.9Å; N152-E154 PolarHBondContact O-N 3.29Å; N152-E154 WeakPolarHBondContact OD1-CB 3.46Å; N152-E154 PolarHBondContact OD1-N 3.18Å; N152-E154 PolarHBondContact OD1-OE2 3.02Å; N152-E155 HydrophobicContact CB-CB 4.46Å; N152-E155 PolarHBondContact O-N 3.11Å; N152-V156 PolarHBondContact O-N 3.36Å
153I90.9Very high74.1Confident0 Ų092.8 Ų92.80%047%0.469CS..Hα-helixtrans-60.9-38.4177.4-170.558.7000112.4L40 L54 E55 A56 F61 E155 V156 L157L40-I153 HydrophobicContact CB-CD1 4.44Å; L40-I153 HydrophobicContact CD1-CD1 4.29Å; L40-I153 HydrophobicContact CD2-CD1 4.22Å; L54-I153 HydrophobicContact CB-CB 4.17Å; L54-I153 HydrophobicContact CB-CD1 4.09Å; L54-I153 HydrophobicContact CD1-CD1 3.57Å; L54-I153 HydrophobicContact CG-CD1 4.45Å; E55-I153 WeakPolarHBondContact O-CG2 3.38Å; E55-I153 PolarHBondContact O-N 3.14Å; A56-I153 HydrophobicContact CB-CB 4.34Å; A56-I153 HydrophobicContact CB-CG2 3.63Å; F61-I153 HydrophobicContact CD2-CD1 4.15Å; F61-I153 HydrophobicContact CD2-CG1 4.12Å; F61-I153 HydrophobicContact CE2-CD1 4.43Å; F61-I153 HydrophobicContact CE2-CG1 4.12Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.31Å; I153-V156 PolarHBondContact O-N 2.98Å; I153-L157 HydrophobicContact CD1-CD1 4.09Å; I153-L157 HydrophobicContact CD1-CD2 4.37Å; I153-L157 HydrophobicContact CD1-CG 3.99Å; I153-L157 HydrophobicContact CG1-CD1 3.71Å; I153-L157 HydrophobicContact CG1-CG 4.01Å; I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.17Å; I153-L157 PolarHBondContact O-N 3.05Å
154E87.4Confident73.8Confident102 Ų10287 Ų8748%0.47745%0.447SS..Hα-helixtrans-63.3-41.4-177.4-67.3151.9179.500110.7N152 V156 L157 Q158N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact ND2-OE2 2.9Å; N152-E154 PolarHBondContact O-N 3.29Å; N152-E154 WeakPolarHBondContact OD1-CB 3.46Å; N152-E154 PolarHBondContact OD1-N 3.18Å; N152-E154 PolarHBondContact OD1-OE2 3.02Å; E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.05Å; E154-L157 PolarHBondContact O-N 3.13Å; E154-Q158 WeakPolarHBondContact O-CB 3.49Å; E154-Q158 WeakPolarHBondContact O-CG 3.33Å; E154-Q158 PolarHBondContact O-N 3.34Å
155E86.3Confident73.5Confident133 Ų13387.9 Ų87.962%0.62147%0.465SS*.Hα-helixtrans-62.8-40.3177.1-171.3-176.6173.100111.9N152 I153N152-E155 HydrophobicContact CB-CB 4.46Å; N152-E155 PolarHBondContact O-N 3.11Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.31Å
156V86.7Confident72.8Confident39 Ų3993.2 Ų93.224%0.23649%0.491CS..Hα-helixtrans-71.2-37.2178.6178.10000111.6L40 L54 A151 N152 I153 E154L40-V156 HydrophobicContact CD1-CG1 3.92Å; L54-V156 HydrophobicContact CD2-CG2 3.79Å; A151-V156 HydrophobicContact CB-CG2 4.49Å; N152-V156 PolarHBondContact O-N 3.36Å; I153-V156 PolarHBondContact O-N 2.98Å; E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.05Å
157L84.7Confident72.1Confident10 Ų1087.1 Ų87.15%0.05246%0.464CS..Hα-helixtrans-78.6-41.5-178.9-66.2-176.7000112.9Q36 Q39 L40 I153 E154 R159Q36-L157 HydrophobicContact CB-CD1 3.97Å; Q36-L157 HydrophobicContact CG-CD1 3.81Å; Q39-L157 HydrophobicContact CB-CD2 3.69Å; L40-L157 HydrophobicContact CB-CD2 4.33Å; I153-L157 HydrophobicContact CD1-CD1 4.09Å; I153-L157 HydrophobicContact CD1-CD2 4.37Å; I153-L157 HydrophobicContact CD1-CG 3.99Å; I153-L157 HydrophobicContact CG1-CD1 3.71Å; I153-L157 HydrophobicContact CG1-CG 4.01Å; I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.17Å; I153-L157 PolarHBondContact O-N 3.05Å; E154-L157 PolarHBondContact O-N 3.13Å; L157-R159 PolarHBondContact O-N 3.46Å
158Q74.3Confident70.8Confident120 Ų12081 Ų8156%0.56145%0.448SS*.Hα-helixtrans-66.3-22.6-179.3-75.8177.40.900113.2E154 G160 E161E154-Q158 WeakPolarHBondContact O-CB 3.49Å; E154-Q158 WeakPolarHBondContact O-CG 3.33Å; E154-Q158 PolarHBondContact O-N 3.34Å; Q158-G160 PolarHBondContact O-N 3.42Å; Q158-E161 PolarHBondContact O-N 3.21Å
159R64.8Low68.9Low215 Ų21588.8 Ų88.881%0.81148%0.482SS*.THydrogen-bonded Turntrans-66.780.5173-152172.3-173177.41.8109.9K43 L157K43-R159 PolarHBondContact NZ-O 3.03Å; L157-R159 PolarHBondContact O-N 3.46Å
160G57Low67Low45 Ų4587.6 Ų87.646%0.46448%0.484SS..THydrogen-bonded Turntrans108.640.1177.100000115.8K43 Q158 A162K43-G160 PolarHBondContact NZ-O 3.33Å; K43-G160 VanDerWaalsContact NZ-O 3.07Å; Q158-G160 PolarHBondContact O-N 3.42Å; G160-A162 VanDerWaalsContact C-N 3.31Å; G160-A162 PolarHBondContact O-N 3.31Å
161E50.7Low65.1Low113 Ų11386 Ų8653%0.52848%0.476SS..G310 helixtrans-72.7-6.9-179-99.8-179.2178.700116.4Q158 L163Q158-E161 PolarHBondContact O-N 3.21Å; E161-L163 PolarHBondContact O-N 3.26Å
162A48.9Very low63.2Low101 Ų10187.7 Ų87.784%0.83548%0.482SS*.G310 helixtrans-68.1-5.1-176.900000115.4G160G160-A162 VanDerWaalsContact C-N 3.31Å; G160-A162 PolarHBondContact O-N 3.31Å
163L47.8Very low61.1Low155 Ų15590.4 Ų90.481%0.81250%0.496SS*.G310 helixtrans-128.3-11.2-169.9-91.9124.4000117.1E161E161-L163 PolarHBondContact O-N 3.26Å
164S47.5Very low59.3Low39 Ų3992.9 Ų92.927%0.27351%0.513SS..  trans-97.8-4.5-165.944.60000116.5L166S164-L166 PolarHBondContact O-N 3.46Å; S164-L166 VanDerWaalsContact O-N 3.14Å
165A52.5Low57.6Low97 Ų9790.7 Ų90.780%0.80251%0.509SS*.THydrogen-bonded Turntrans-68.3-8.8-178.200000114.6
166L49.4Very low55.9Low160 Ų16088 Ų8884%0.83850%0.499SS*.THydrogen-bonded Turntrans-90.5-18.9-175.2-76.9163.6000115S164S164-L166 PolarHBondContact O-N 3.46Å; S164-L166 VanDerWaalsContact O-N 3.14Å
167D49.5Very low54Low64 Ų6489.5 Ų89.534%0.34251%0.511SS..SBendtrans-101.5-13.6-165.5-154.624.6000115.3R42 K169 A170R42-D167 IonicContact CZ-OD2 2.98Å; R42-D167 IonicContact NH1-OD2 2.63Å; R42-D167 PolarHBondContact NH1-OD2 2.94Å; R42-D167 IonicContact NH2-OD2 2.61Å; R42-D167 PolarHBondContact NH2-OD2 3.46Å; D167-K169 PolarHBondContact O-N 3.37Å; D167-A170 PolarHBondContact O-N 3.42Å; D167-A170 VanDerWaalsContact O-N 3.11Å
168T50.5Low52.7Low65 Ų6592.9 Ų92.940%0.39953%0.525SS..Hα-helixtrans-62.4-25.3176.4-46.80000112
169K47.5Very low52.1Low181 Ų18192.6 Ų92.679%0.78752%0.522SS*.Hα-helixtrans-74.4-25.6176.1-74.3-171.6177.1-173.80113.9D167D167-K169 PolarHBondContact O-N 3.37Å
170A50Low51.5Low53 Ų5389.9 Ų89.944%0.43851%0.513SS..Hα-helixtrans-82.7-36.9-176.800000113.2D167 L173D167-A170 PolarHBondContact O-N 3.42Å; D167-A170 VanDerWaalsContact O-N 3.11Å; A170-L173 PolarHBondContact O-N 3.21Å
171S53.8Low51.7Low34 Ų3497.3 Ų97.324%0.23853%0.527CS..Hα-helixtrans-75.3-32.2-175.176.90000114.1K38 L173 S174 S175K38-S171 PolarHBondContact NZ-OG 3.31Å; S171-L173 VanDerWaalsContact C-N 3.29Å; S171-L173 PolarHBondContact O-N 3.49Å; S171-S174 PolarHBondContact O-N 3.39Å; S171-S175 PolarHBondContact O-N 3.31Å; S171-S175 PolarHBondContact O-OG 2.89Å
172N54.2Low52.3Low54 Ų5495 Ų9529%0.28952%0.524SS..Hα-helixtrans-62.7-36.8171.9-89.1-15.8000111.3S174 S175 L176N172-S174 VanDerWaalsContact C-N 3.35Å; N172-S174 PolarHBondContact O-N 3.15Å; N172-S175 PolarHBondContact O-OG 2.9Å; N172-L176 HydrophobicContact CB-CD1 4.1Å; N172-L176 VanDerWaalsContact O-CB 3.25Å; N172-L176 WeakPolarHBondContact O-CB 3.09Å; N172-L176 WeakPolarHBondContact O-CD1 3.01Å; N172-L176 PolarHBondContact O-N 3.39Å
173L49.1Very low53.1Low118 Ų11893.7 Ų93.762%0.61850%0.502SS*.Hα-helixtrans-63.8-38.7177.5-75.5168.6000112.2A170 S171 S177A170-L173 PolarHBondContact O-N 3.21Å; S171-L173 VanDerWaalsContact C-N 3.29Å; S171-L173 PolarHBondContact O-N 3.49Å; L173-S177 WeakPolarHBondContact O-CB 3.25Å; L173-S177 PolarHBondContact O-N 3.46Å; L173-S177 PolarHBondContact O-OG 2.61Å
174S52.7Low53.8Low52 Ų5289 Ų8936%0.36449%0.486SS..Hα-helixtrans-70.7-42.6179.2170.40000112.9S171 N172 S177 K178S171-S174 PolarHBondContact O-N 3.39Å; N172-S174 VanDerWaalsContact C-N 3.35Å; N172-S174 PolarHBondContact O-N 3.15Å; S174-S177 PolarHBondContact O-N 3.01Å; S174-K178 PolarHBondContact O-N 3.4Å
175S51.6Low54.8Low56 Ų5694.6 Ų94.639%0.39251%0.505SS..Hα-helixtrans-70.6-43.3177.754.50000111.6S171 N172 S177 K178 K179S171-S175 PolarHBondContact O-N 3.31Å; S171-S175 PolarHBondContact O-OG 2.89Å; N172-S175 PolarHBondContact O-OG 2.9Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S175-S177 PolarHBondContact O-N 3.47Å; S175-K178 PolarHBondContact O-N 2.82Å; S175-K179 PolarHBondContact O-N 2.89Å
176L51.4Low55.8Low77 Ų7797.7 Ų97.740%0.40350%0.498SS..Hα-helixtrans-61.4-41.1171.2-86.194.8000110.9N172 K178 K179 Y180N172-L176 HydrophobicContact CB-CD1 4.1Å; N172-L176 VanDerWaalsContact O-CB 3.25Å; N172-L176 WeakPolarHBondContact O-CB 3.09Å; N172-L176 WeakPolarHBondContact O-CD1 3.01Å; N172-L176 PolarHBondContact O-N 3.39Å; L176-K178 VanDerWaalsContact C-N 3.34Å; L176-K178 PolarHBondContact O-N 2.89Å; L176-K179 CarbonylContact O-C 3.54Å; L176-K179 PolarHBondContact O-N 2.73Å; L176-K179 VanDerWaalsContact O-N 3.15Å; L176-Y180 HydrophobicContact CB-CD2 4.07Å; L176-Y180 HydrophobicContact CB-CE2 4Å; L176-Y180 HydrophobicContact CD2-CE2 3.82Å; L176-Y180 HydrophobicContact CG-CE2 4.43Å; L176-Y180 WeakPolarHBondContact O-CB 3.41Å; L176-Y180 WeakPolarHBondContact O-CD2 3.23Å; L176-Y180 PolarHBondContact O-N 3.14Å
177S46.3Very low56.8Low70 Ų7095 Ų9549%0.4948%0.484SS..Hα-helixtrans-64.6-35.5178.4-65.30000112.9L173 S174 S175 R181L173-S177 WeakPolarHBondContact O-CB 3.25Å; L173-S177 PolarHBondContact O-N 3.46Å; L173-S177 PolarHBondContact O-OG 2.61Å; S174-S177 PolarHBondContact O-N 3.01Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S175-S177 PolarHBondContact O-N 3.47Å; S177-R181 VanDerWaalsContact O-CB 3.23Å; S177-R181 WeakPolarHBondContact O-CB 3.05Å; S177-R181 PolarHBondContact O-N 3.3Å
178K56.3Low57.9Low81 Ų8197.1 Ų97.135%0.35250%0.495SS..Hα-helixtrans-67.3-40.3172.4-77-175.4-178.2-1790111.5S174 S175 L176 R181 S182S174-K178 PolarHBondContact O-N 3.4Å; S175-K178 PolarHBondContact O-N 2.82Å; L176-K178 VanDerWaalsContact C-N 3.34Å; L176-K178 PolarHBondContact O-N 2.89Å; K178-R181 PolarHBondContact O-N 3.46Å; K178-S182 PolarHBondContact O-N 3.1Å
179K61.6Low59Low114 Ų11498.2 Ų98.250%0.49650%0.502SS..Hα-helixtrans-66.6-46175.4-166168.8-175.4167.10111.8S175 L176 R181 S182 D183S175-K179 PolarHBondContact O-N 2.89Å; L176-K179 CarbonylContact O-C 3.54Å; L176-K179 PolarHBondContact O-N 2.73Å; L176-K179 VanDerWaalsContact O-N 3.15Å; K179-R181 VanDerWaalsContact C-N 3.26Å; K179-R181 PolarHBondContact O-N 3.19Å; K179-S182 PolarHBondContact O-N 2.82Å; K179-S182 VanDerWaalsContact O-N 3.14Å; K179-S182 PolarHBondContact O-OG 3.29Å; K179-D183 VanDerWaalsContact O-CB 3.32Å; K179-D183 WeakPolarHBondContact O-CB 3.37Å; K179-D183 PolarHBondContact O-N 3.18Å
180Y53.1Low60.3Low159 Ų15998 Ų9862%0.62450%0.496SS*.Hα-helixtrans-58.9-37.3171.1-78.9-64.1000111.9L176 A184L176-Y180 HydrophobicContact CB-CD2 4.07Å; L176-Y180 HydrophobicContact CB-CE2 4Å; L176-Y180 HydrophobicContact CD2-CE2 3.82Å; L176-Y180 HydrophobicContact CG-CE2 4.43Å; L176-Y180 WeakPolarHBondContact O-CB 3.41Å; L176-Y180 WeakPolarHBondContact O-CD2 3.23Å; L176-Y180 PolarHBondContact O-N 3.14Å; Y180-A184 WeakPolarHBondContact O-CB 3.45Å; Y180-A184 PolarHBondContact O-N 2.93Å
181R61.2Low61.4Low201 Ų20198.1 Ų98.176%0.75849%0.493SS*.Hα-helixtrans-68.5-40.9174.9-177.4177.1176.5137.8-0.2112.4S177 K178 K179 K185S177-R181 VanDerWaalsContact O-CB 3.23Å; S177-R181 WeakPolarHBondContact O-CB 3.05Å; S177-R181 PolarHBondContact O-N 3.3Å; K178-R181 PolarHBondContact O-N 3.46Å; K179-R181 VanDerWaalsContact C-N 3.26Å; K179-R181 PolarHBondContact O-N 3.19Å; R181-K185 WeakPolarHBondContact O-CB 3.05Å; R181-K185 PolarHBondContact O-N 2.87Å; R181-K185 VanDerWaalsContact O-N 3.1Å
182S62.3Low62.4Low64 Ų6499.6 Ų99.645%0.44850%0.501SS..Hα-helixtrans-68.2-44.3176.262.50000111.4K178 K179 K185 Y186K178-S182 PolarHBondContact O-N 3.1Å; K179-S182 PolarHBondContact O-N 2.82Å; K179-S182 VanDerWaalsContact O-N 3.14Å; K179-S182 PolarHBondContact O-OG 3.29Å; S182-K185 PolarHBondContact O-N 3.47Å; S182-Y186 WeakPolarHBondContact O-CB 3.29Å; S182-Y186 PolarHBondContact O-N 3.3Å
183D66Low63.9Low73 Ų73105.9 Ų105.939%0.3952%0.522SS..Hα-helixtrans-67.5-41.4-178.5-65.7-5.3000110.6K179 K185 Y186 L187K179-D183 VanDerWaalsContact O-CB 3.32Å; K179-D183 WeakPolarHBondContact O-CB 3.37Å; K179-D183 PolarHBondContact O-N 3.18Å; D183-K185 VanDerWaalsContact C-N 3.35Å; D183-K185 PolarHBondContact O-N 2.92Å; D183-Y186 PolarHBondContact O-N 2.88Å; D183-L187 WeakPolarHBondContact O-CB 3.32Å; D183-L187 VanDerWaalsContact O-CG 3.29Å; D183-L187 WeakPolarHBondContact O-CG 3.25Å; D183-L187 PolarHBondContact O-N 2.69Å
184A63.1Low65.4Low57 Ų57103.2 Ų103.247%0.47152%0.517SS..Hα-helixtrans-62.8-40173.200000112.1Y180 N188Y180-A184 WeakPolarHBondContact O-CB 3.45Å; Y180-A184 PolarHBondContact O-N 2.93Å; A184-N188 VanDerWaalsContact O-CB 3.25Å; A184-N188 WeakPolarHBondContact O-CB 3.45Å; A184-N188 PolarHBondContact O-N 2.99Å
185K67.9Low66.9Low156 Ų156107.9 Ų107.968%0.67853%0.531SS*.Hα-helixtrans-66.4-40.2176.6-164.8178.7-178.1-172.10111.3R181 S182 D183 N188 T189R181-K185 WeakPolarHBondContact O-CB 3.05Å; R181-K185 PolarHBondContact O-N 2.87Å; R181-K185 VanDerWaalsContact O-N 3.1Å; S182-K185 PolarHBondContact O-N 3.47Å; D183-K185 VanDerWaalsContact C-N 3.35Å; D183-K185 PolarHBondContact O-N 2.92Å; K185-N188 PolarHBondContact O-N 3.46Å; K185-T189 WeakPolarHBondContact O-CB 3.47Å; K185-T189 PolarHBondContact O-N 3.42Å; K185-T189 PolarHBondContact O-OG1 2.89Å
186Y74Confident68.7Low162 Ų162110.7 Ų110.764%0.63554%0.54SS*.Hα-helixtrans-62.5-49.4175.4176.4-106000111.8S182 D183 N188 T189 R190S182-Y186 WeakPolarHBondContact O-CB 3.29Å; S182-Y186 PolarHBondContact O-N 3.3Å; D183-Y186 PolarHBondContact O-N 2.88Å; Y186-N188 VanDerWaalsContact C-N 3.34Å; Y186-N188 PolarHBondContact O-N 3.21Å; Y186-T189 PolarHBondContact O-N 3.44Å; Y186-R190 PolarHBondContact O-N 3.04Å
187L69.8Low70.5Confident104 Ų104109.4 Ų109.455%0.54554%0.541SS..Hα-helixtrans-62.2-40.3177.1-69.2174.5000112.2D183 R190 S191D183-L187 WeakPolarHBondContact O-CB 3.32Å; D183-L187 VanDerWaalsContact O-CG 3.29Å; D183-L187 WeakPolarHBondContact O-CG 3.25Å; D183-L187 PolarHBondContact O-N 2.69Å; L187-R190 PolarHBondContact O-N 3.4Å; L187-S191 PolarHBondContact O-N 3.25Å
188N74.5Confident72.6Confident108 Ų108109.1 Ų109.158%0.57854%0.543SS*.Hα-helixtrans-67.3-36.8178.1-163.427.4000112.1A184 K185 Y186 S191 T192A184-N188 VanDerWaalsContact O-CB 3.25Å; A184-N188 WeakPolarHBondContact O-CB 3.45Å; A184-N188 PolarHBondContact O-N 2.99Å; K185-N188 PolarHBondContact O-N 3.46Å; Y186-N188 VanDerWaalsContact C-N 3.34Å; Y186-N188 PolarHBondContact O-N 3.21Å; N188-S191 PolarHBondContact O-N 2.73Å; N188-T192 WeakPolarHBondContact O-CB 3.43Å; N188-T192 PolarHBondContact O-N 2.97Å; N188-T192 PolarHBondContact O-OG1 3.13Å
189T73Confident74.2Confident88 Ų88107.1 Ų107.154%0.5455%0.545SS..Hα-helixtrans-65.9-43.2176.7-52.20000110.8K185 Y186 T192 Y193K185-T189 WeakPolarHBondContact O-CB 3.47Å; K185-T189 PolarHBondContact O-N 3.42Å; K185-T189 PolarHBondContact O-OG1 2.89Å; Y186-T189 PolarHBondContact O-N 3.44Å; T189-T192 PolarHBondContact O-N 3.39Å; T189-Y193 PolarHBondContact O-N 3.38Å; T189-Y193 VanDerWaalsContact O-N 3.13Å
190R75.2Confident75.7Confident178 Ų178104 Ų10467%0.67254%0.541SS*.Hα-helixtrans-63.2-43.5175.7-173.3176.9176.7-134.5-0.3112.4Y186 L187 T192 Y193 A194Y186-R190 PolarHBondContact O-N 3.04Å; L187-R190 PolarHBondContact O-N 3.4Å; R190-T192 VanDerWaalsContact C-N 3.34Å; R190-Y193 PolarHBondContact O-N 2.97Å; R190-A194 PolarHBondContact O-N 3.03Å; R190-A194 VanDerWaalsContact O-N 3.15Å
191S72.1Confident77.6Confident54 Ų54100.8 Ų100.838%0.37854%0.537SS..Hα-helixtrans-65.9-36.9178.1-169.70000112.2L187 N188 A194 K195L187-S191 PolarHBondContact O-N 3.25Å; N188-S191 PolarHBondContact O-N 2.73Å; S191-A194 PolarHBondContact O-N 3.43Å; S191-K195 WeakPolarHBondContact O-CG 3.34Å; S191-K195 PolarHBondContact O-N 3.02Å
192T76.2Confident79.2Confident66 Ų6697.7 Ų97.741%0.40553%0.529SS..Hα-helixtrans-64-43.1176.5-54.90000111.3N188 T189 R190 A194 K195 I196N188-T192 WeakPolarHBondContact O-CB 3.43Å; N188-T192 PolarHBondContact O-N 2.97Å; N188-T192 PolarHBondContact O-OG1 3.13Å; T189-T192 PolarHBondContact O-N 3.39Å; R190-T192 VanDerWaalsContact C-N 3.34Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.28Å; T192-K195 PolarHBondContact O-N 3.45Å; T192-I196 HydrophobicContact CG2-CD1 4.04Å; T192-I196 WeakPolarHBondContact O-CG1 3.39Å; T192-I196 PolarHBondContact O-N 3.15Å
193Y84.4Confident80.7Confident186 Ų186101 Ų10173%0.72954%0.536SS*.Hα-helixtrans-62.3-41.1176.6-149.3-86.1000112.1T189 R190 I196 A197T189-Y193 PolarHBondContact O-N 3.38Å; T189-Y193 VanDerWaalsContact O-N 3.13Å; R190-Y193 PolarHBondContact O-N 2.97Å; Y193-I196 PolarHBondContact O-N 3.31Å; Y193-A197 WeakPolarHBondContact O-CB 3.49Å; Y193-A197 PolarHBondContact O-N 2.98Å
194A80.3Confident82Confident62 Ų62102.7 Ų102.751%0.51254%0.544SS..Hα-helixtrans-64.2-40.2176.400000112.8R190 S191 T192 A197 A198R190-A194 PolarHBondContact O-N 3.03Å; R190-A194 VanDerWaalsContact O-N 3.15Å; S191-A194 PolarHBondContact O-N 3.43Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.28Å; A194-A197 PolarHBondContact O-N 3.48Å; A194-A198 PolarHBondContact O-N 3.41Å; A194-A198 VanDerWaalsContact O-N 3.09Å
195K85.3Confident83.3Confident150 Ų150103.7 Ų103.765%0.65254%0.544SS*.Hα-helixtrans-66.4-41.2176.7-71.5176.3-175.6-179.60112.3S191 T192 A198 G199S191-K195 WeakPolarHBondContact O-CG 3.34Å; S191-K195 PolarHBondContact O-N 3.02Å; T192-K195 PolarHBondContact O-N 3.45Å; K195-A198 PolarHBondContact O-N 3.34Å; K195-G199 PolarHBondContact O-N 3.03Å
196I88.6Confident84.5Confident115 Ų115100 Ų10059%0.5953%0.532SS*.Hα-helixtrans-63.2-43.6176.4-68.1168.2000110.4T192 Y193 A198 G199 A200T192-I196 HydrophobicContact CG2-CD1 4.04Å; T192-I196 WeakPolarHBondContact O-CG1 3.39Å; T192-I196 PolarHBondContact O-N 3.15Å; Y193-I196 PolarHBondContact O-N 3.31Å; I196-A198 PolarHBondContact O-N 3.06Å; I196-G199 PolarHBondContact O-N 3.11Å; I196-A200 PolarHBondContact O-N 3.5Å
197A89.4Confident85.4Confident50 Ų5097 Ų9741%0.41353%0.526SS..Hα-helixtrans-60.8-44.2177.300000112.3Y193 A194 G199 A200 V201Y193-A197 WeakPolarHBondContact O-CB 3.49Å; Y193-A197 PolarHBondContact O-N 2.98Å; A194-A197 PolarHBondContact O-N 3.48Å; A197-G199 PolarHBondContact O-N 3.28Å; A197-A200 PolarHBondContact O-N 3.32Å; A197-V201 WeakPolarHBondContact O-CG2 3.26Å; A197-V201 PolarHBondContact O-N 3.34Å; A197-V201 VanDerWaalsContact O-N 3.11Å
198A89.8Confident86.5Confident64 Ų6496.4 Ų96.453%0.52953%0.526SS..Hα-helixtrans-63.3-41.3176.900000112.5A194 K195 I196 V201 F202A194-A198 PolarHBondContact O-N 3.41Å; A194-A198 VanDerWaalsContact O-N 3.09Å; K195-A198 PolarHBondContact O-N 3.34Å; I196-A198 PolarHBondContact O-N 3.06Å; A198-V201 PolarHBondContact O-N 3.09Å; A198-F202 PolarHBondContact O-N 3.44Å; A198-F202 VanDerWaalsContact O-N 3.13Å
199G91.3Very high87.3Confident39 Ų3998.2 Ų98.240%0.40253%0.526SS..Hα-helixtrans-62.7-40.8175.300000112.8K195 I196 A197 F202 F203K195-G199 PolarHBondContact O-N 3.03Å; I196-G199 PolarHBondContact O-N 3.11Å; A197-G199 PolarHBondContact O-N 3.28Å; G199-F202 PolarHBondContact O-N 3.5Å; G199-F203 PolarHBondContact O-N 2.93Å
200A92.4Very high88.2Confident49 Ų4997.8 Ų97.841%0.40552%0.523SS..Hα-helixtrans-63.4-42.6176.900000112.2I196 A197 F202 F203 I204I196-A200 PolarHBondContact O-N 3.5Å; A197-A200 PolarHBondContact O-N 3.32Å; A200-F202 PolarHBondContact O-N 3Å; A200-F203 PolarHBondContact O-N 3.37Å; A200-I204 VanDerWaalsContact O-CG1 3.26Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 2.99Å
201V93.5Very high88.8Confident91 Ų9198.2 Ų98.255%0.55252%0.524SS*.Hα-helixtrans-61.1-46176.4173.40000110.8A197 A198 F203 I204 T205A197-V201 WeakPolarHBondContact O-CG2 3.26Å; A197-V201 PolarHBondContact O-N 3.34Å; A197-V201 VanDerWaalsContact O-N 3.11Å; A198-V201 PolarHBondContact O-N 3.09Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 3.26Å; V201-I204 PolarHBondContact O-N 3.13Å; V201-T205 HydrophobicContact CG1-CG2 4.5Å; V201-T205 WeakPolarHBondContact O-CG2 3.31Å; V201-T205 PolarHBondContact O-N 3.39Å; V201-T205 PolarHBondContact O-OG1 2.94Å
202F93.9Very high89.5Confident135 Ų135103.7 Ų103.759%0.59254%0.542SS*.Hα-helixtrans-58.6-45.5176.4-177.9-97.4000111.8A198 G199 A200 I204 T205 L206A198-F202 PolarHBondContact O-N 3.44Å; A198-F202 VanDerWaalsContact O-N 3.13Å; G199-F202 PolarHBondContact O-N 3.5Å; A200-F202 PolarHBondContact O-N 3Å; F202-I204 PolarHBondContact O-N 2.71Å; F202-T205 WeakPolarHBondContact CA-OG1 3.44Å; F202-T205 PolarHBondContact O-N 3.26Å; F202-T205 PolarHBondContact O-OG1 3.44Å; F202-L206 HydrophobicContact CE1-CD1 3.97Å; F202-L206 HydrophobicContact CZ-CD1 4.35Å; F202-L206 WeakPolarHBondContact O-CB 3.4Å; F202-L206 PolarHBondContact O-N 3.42Å
203F93.7Very high89.8Confident135 Ų135109.8 Ų109.859%0.59256%0.558SS**Hα-helixtrans-62-42.5178.7-129.5-87.6000112.3G199 A200 V201 L206 I207G199-F203 PolarHBondContact O-N 2.93Å; A200-F203 PolarHBondContact O-N 3.37Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 3.26Å; F203-L206 PolarHBondContact O-N 2.94Å; F203-I207 HydrophobicContact CD1-CD1 4.06Å; F203-I207 HydrophobicContact CD1-CG1 4.5Å; F203-I207 VanDerWaalsContact O-CG1 3.31Å; F203-I207 WeakPolarHBondContact O-CG1 3.4Å; F203-I207 PolarHBondContact O-N 3.28Å
204I93.4Very high89.2Confident108 Ų108112.1 Ų112.155%0.55457%0.565SS**Hα-helixtrans-62.9-45.5176.3-68.5165.7000110.4A200 V201 F202 L206 I207 V208A200-I204 VanDerWaalsContact O-CG1 3.26Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 2.99Å; V201-I204 PolarHBondContact O-N 3.13Å; F202-I204 PolarHBondContact O-N 2.71Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 2.95Å; I204-I207 PolarHBondContact O-N 3.03Å; I204-V208 WeakPolarHBondContact O-CG2 3.41Å; I204-V208 PolarHBondContact O-N 3.28Å
205T90.9Very high88.2Confident78 Ų78117.6 Ų117.648%0.47958%0.584SS.*Hα-helixtrans-62.1-38.5177.854.80000112.5V201 F202 V208 Y209V201-T205 HydrophobicContact CG1-CG2 4.5Å; V201-T205 WeakPolarHBondContact O-CG2 3.31Å; V201-T205 PolarHBondContact O-N 3.39Å; V201-T205 PolarHBondContact O-OG1 2.94Å; F202-T205 WeakPolarHBondContact CA-OG1 3.44Å; F202-T205 PolarHBondContact O-N 3.26Å; F202-T205 PolarHBondContact O-OG1 3.44Å; T205-V208 PolarHBondContact O-N 3.29Å; T205-Y209 WeakPolarHBondContact O-CB 3.34Å; T205-Y209 PolarHBondContact O-N 3.46Å
206L93.1Very high88.4Confident79 Ų79116 Ų11641%0.41458%0.58SS.*Hα-helixtrans-65.8-43.4177.2-170.4152.6000111.2F202 F203 I204 V208 Y209 V210F202-L206 HydrophobicContact CE1-CD1 3.97Å; F202-L206 HydrophobicContact CZ-CD1 4.35Å; F202-L206 WeakPolarHBondContact O-CB 3.4Å; F202-L206 PolarHBondContact O-N 3.42Å; F203-L206 PolarHBondContact O-N 2.94Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 2.95Å; L206-V208 VanDerWaalsContact C-N 3.35Å; L206-V208 PolarHBondContact O-N 3.4Å; L206-Y209 PolarHBondContact O-N 2.98Å; L206-V210 HydrophobicContact CD2-CG2 4Å; L206-V210 WeakPolarHBondContact O-CG2 3.49Å; L206-V210 PolarHBondContact O-N 3.41Å
207I92.8Very high88.4Confident99 Ų99116 Ų11651%0.50858%0.58SS.*Hα-helixtrans-60.4-44.8176.3-70.7167.6000111F203 I204 R211F203-I207 HydrophobicContact CD1-CD1 4.06Å; F203-I207 HydrophobicContact CD1-CG1 4.5Å; F203-I207 VanDerWaalsContact O-CG1 3.31Å; F203-I207 WeakPolarHBondContact O-CG1 3.4Å; F203-I207 PolarHBondContact O-N 3.28Å; I204-I207 PolarHBondContact O-N 3.03Å; I207-R211 WeakPolarHBondContact O-CB 3.42Å; I207-R211 PolarHBondContact O-N 2.95Å
208V91.9Very high88.3Confident91 Ų91119.7 Ų119.755%0.55259%0.589SS**Hα-helixtrans-62.7-43.7177.8173.20000111I204 T205 L206 R211 F212I204-V208 WeakPolarHBondContact O-CG2 3.41Å; I204-V208 PolarHBondContact O-N 3.28Å; T205-V208 PolarHBondContact O-N 3.29Å; L206-V208 VanDerWaalsContact C-N 3.35Å; L206-V208 PolarHBondContact O-N 3.4Å; V208-R211 PolarHBondContact O-N 3.05Å; V208-F212 WeakPolarHBondContact O-CB 3.37Å; V208-F212 PolarHBondContact O-N 3.44Å
209Y92.2Very high88.2Confident146 Ų146122.9 Ų122.957%0.57359%0.593SS**Hα-helixtrans-63.3-47.3179.7-174.1-102.3000112.5T205 L206 R211 F212 W213T205-Y209 WeakPolarHBondContact O-CB 3.34Å; T205-Y209 PolarHBondContact O-N 3.46Å; L206-Y209 PolarHBondContact O-N 2.98Å; Y209-R211 VanDerWaalsContact C-N 3.32Å; Y209-R211 PolarHBondContact O-N 3.26Å; Y209-F212 PolarHBondContact O-N 3.37Å; Y209-W213 HydrophobicContact CD1-CE3 4.31Å; Y209-W213 AromaticContact CE1-CE3 3.4Å; Y209-W213 HydrophobicContact CE1-CE3 3.4Å; Y209-W213 AromaticContact CE1-CZ3 3.63Å; Y209-W213 HydrophobicContact CE1-CZ3 3.63Å; Y209-W213 AromaticContact CZ-CE3 3.66Å; Y209-W213 AromaticContact CZ-CZ3 3.8Å; Y209-W213 PolarHBondContact O-N 3.01Å; Y209-W213 VanDerWaalsContact OH-CZ3 3.24Å; Y209-W213 WeakPolarHBondContact OH-CZ3 3.4Å
210V92Very high88.1Confident79 Ų79128.2 Ų128.248%0.47961%0.605SS.*Hα-helixtrans-62.4-41.1177.1173.50000110.9L206 F212 W213 W214L206-V210 HydrophobicContact CD2-CG2 4Å; L206-V210 WeakPolarHBondContact O-CG2 3.49Å; L206-V210 PolarHBondContact O-N 3.41Å; V210-F212 VanDerWaalsContact C-N 3.34Å; V210-F212 PolarHBondContact O-N 3.44Å; V210-W213 PolarHBondContact O-N 3.11Å; V210-W214 WeakPolarHBondContact O-CB 3.35Å; V210-W214 PolarHBondContact O-N 3.48Å; V210-W214 VanDerWaalsContact O-N 3.11Å
211R87.4Confident87.8Confident186 Ų186133.5 Ų133.570%0.70262%0.618SS**Hα-helixtrans-66.4-35.7178.2-161.2-163.6170.3108.84.4112.5I207 V208 Y209 I215I207-R211 WeakPolarHBondContact O-CB 3.42Å; I207-R211 PolarHBondContact O-N 2.95Å; V208-R211 PolarHBondContact O-N 3.05Å; Y209-R211 VanDerWaalsContact C-N 3.32Å; Y209-R211 PolarHBondContact O-N 3.26Å; R211-I215 HydrophobicContact CG-CD1 4.28Å; R211-I215 WeakPolarHBondContact O-CD1 3.24Å; R211-I215 WeakPolarHBondContact O-CG1 3.45Å
212F86.8Confident87.4Confident170 Ų170136.5 Ų136.575%0.74662%0.623SS**Hα-helixtrans-74.9-29.7179.3-166.7-93.5000112.9V208 Y209 V210V208-F212 WeakPolarHBondContact O-CB 3.37Å; V208-F212 PolarHBondContact O-N 3.44Å; Y209-F212 PolarHBondContact O-N 3.37Å; V210-F212 VanDerWaalsContact C-N 3.34Å; V210-F212 PolarHBondContact O-N 3.44Å
213W82.4Confident86.8Confident194 Ų194136.6 Ų136.674%0.73563%0.625SS**Hα-helixtrans-85.5-21.8178.2-160.6-6.2000113.2Y209 V210Y209-W213 HydrophobicContact CD1-CE3 4.31Å; Y209-W213 AromaticContact CE1-CE3 3.4Å; Y209-W213 HydrophobicContact CE1-CE3 3.4Å; Y209-W213 AromaticContact CE1-CZ3 3.63Å; Y209-W213 HydrophobicContact CE1-CZ3 3.63Å; Y209-W213 AromaticContact CZ-CE3 3.66Å; Y209-W213 AromaticContact CZ-CZ3 3.8Å; Y209-W213 PolarHBondContact O-N 3.01Å; Y209-W213 VanDerWaalsContact OH-CZ3 3.24Å; Y209-W213 WeakPolarHBondContact OH-CZ3 3.4Å; V210-W213 PolarHBondContact O-N 3.11Å
214W72Confident86.3Confident235 Ų235136.8 Ų136.889%0.8963%0.628SS**  trans-88.6-7.7179.1-159.8-82.5000114V210V210-W214 WeakPolarHBondContact O-CB 3.35Å; V210-W214 PolarHBondContact O-N 3.48Å; V210-W214 VanDerWaalsContact O-N 3.11Å
215I60.5Low85.6Confident176 Ų176139.4 Ų139.490%0.90363%0.634SS**  trans-1000173.5-69.3170.7000108.6R211R211-I215 HydrophobicContact CG-CD1 4.28Å; R211-I215 WeakPolarHBondContact O-CD1 3.24Å; R211-I215 WeakPolarHBondContact O-CG1 3.45Å

Retrieved 215 of 215 residues in 550 ms (Link to these results)

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