A0A3Q0KEG2_SCHMA Loading...

Vesicle-trafficking protein SEC22b

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 A0A3Q0KEG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M87.3Confident93.2Very high64 Ų6420.8 Ų20.832%0.31513%0.13SC..  01600-169.3155.499.800109.2Y3 Q21 D23 T75 D76M1-Y3 HydrophobicContact CB-CE1 4.16Å; M1-Y3 HydrophobicContact CB-CE2 4.46Å; M1-Y3 HydrophobicContact CE-CD1 3.8Å; M1-Y3 HydrophobicContact CE-CE1 3.63Å; M1-Y3 HydrophobicContact CG-CE1 4.43Å; M1-Q21 HydrophobicContact CE-CB 4.38Å; M1-Q21 HydrophobicContact CE-CG 3.72Å; M1-Q21 VanDerWaalsContact CE-NE2 3.34Å; M1-Q21 VanDerWaalsContact CE-OE1 3.26Å; M1-Q21 VanDerWaalsContact CG-OE1 3.26Å; M1-Q21 VanDerWaalsContact SD-CD 3.55Å; M1-Q21 PolarHBondContact SD-NE2 2.92Å; M1-Q21 PolarHBondContact SD-OE1 3.4Å; M1-Q21 VanDerWaalsContact SD-OE1 3.37Å; M1-D23 HydrophobicContact CE-CB 4.46Å; M1-T75 WeakPolarHBondContact O-CA 3.46Å; M1-T75 WeakPolarHBondContact O-CB 3.26Å; M1-D76 PolarHBondContact N-OD2 3.02Å; M1-D76 PolarHBondContact O-N 3.4Å
2I91.4Very high93Very high0 Ų026.4 Ų26.40%016%0.158CC..EExtended strand (participates in β ladder)trans-99.4120.8170.2-59.9170.3000107Q21 I73 L74 T75 F79 F87 Q123I2-Q21 PolarHBondContact O-OE1 3.42Å; I2-I73 HydrophobicContact CG2-CB 4.16Å; I2-I73 HydrophobicContact CG2-CG2 4.1Å; I2-L74 CarbonylContact C-O 3.57Å; I2-T75 HydrophobicContact CB-CG2 4.48Å; I2-T75 HydrophobicContact CG1-CG2 3.95Å; I2-F79 HydrophobicContact CD1-CE1 4.23Å; I2-F79 HydrophobicContact CD1-CZ 3.93Å; I2-F79 HydrophobicContact CG1-CE1 4.03Å; I2-F79 HydrophobicContact CG1-CE2 4.27Å; I2-F79 HydrophobicContact CG1-CZ 3.81Å; I2-F87 HydrophobicContact CD1-CB 4.4Å; I2-F87 HydrophobicContact CD1-CD1 4.1Å; I2-F87 HydrophobicContact CD1-CD2 4.02Å; I2-F87 HydrophobicContact CD1-CE1 4.43Å; I2-F87 HydrophobicContact CD1-CE2 4.35Å; I2-F87 HydrophobicContact CD1-CG 3.89Å; I2-Q123 HydrophobicContact CB-CG 4.28Å; I2-Q123 HydrophobicContact CD1-CG 4.31Å; I2-Q123 PolarHBondContact O-NE2 3.29Å
3Y91.7Very high92.8Very high19 Ų1925.6 Ų25.68%0.07516%0.159CC..EExtended strand (participates in β ladder)trans-102.9-36.1-172.1-64.6-72.1000114.2M1 I20 Q21 D23 L26 Y59 L74 D76M1-Y3 HydrophobicContact CB-CE1 4.16Å; M1-Y3 HydrophobicContact CB-CE2 4.46Å; M1-Y3 HydrophobicContact CE-CD1 3.8Å; M1-Y3 HydrophobicContact CE-CE1 3.63Å; M1-Y3 HydrophobicContact CG-CE1 4.43Å; Y3-I20 WeakPolarHBondContact O-CA 3.2Å; Y3-Q21 PolarHBondContact O-N 2.96Å; Y3-D23 HydrophobicContact CD1-CB 4.26Å; Y3-D23 HydrophobicContact CE1-CB 4.16Å; Y3-L26 HydrophobicContact CD1-CD2 3.35Å; Y3-L26 HydrophobicContact CD2-CD2 3.92Å; Y3-L26 HydrophobicContact CE1-CD2 4.1Å; Y3-L26 HydrophobicContact CG-CD2 3.23Å; Y3-Y59 HydrophobicContact CD2-CD1 4.08Å; Y3-Y59 HydrophobicContact CD2-CE1 4.08Å; Y3-Y59 AromaticContact CE2-CD1 3.74Å; Y3-Y59 HydrophobicContact CE2-CD1 3.74Å; Y3-Y59 AromaticContact CE2-CE1 3.5Å; Y3-Y59 HydrophobicContact CE2-CE1 3.5Å; Y3-Y59 VanDerWaalsContact CE2-CE1 3.5Å; Y3-L74 PolarHBondContact N-O 3.32Å; Y3-D76 HydrophobicContact CE2-CB 4.46Å; Y3-D76 WeakPolarHBondContact CE2-OD1 3.21Å; Y3-D76 PolarHBondContact OH-OD1 3.39Å; Y3-D76 PolarHBondContact OH-OD2 3.16Å
4L92.6Very high92.8Very high1 Ų125 Ų251%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-132.4138.5179.8172.969.8000107.7T19 I20 I30 Q34 A37 F61 I73 L74L4-T19 WeakPolarHBondContact CA-O 3.25Å; L4-I20 HydrophobicContact CD1-CD1 4.34Å; L4-I20 HydrophobicContact CD1-CG1 3.63Å; L4-I30 HydrophobicContact CB-CD1 4.18Å; L4-Q34 HydrophobicContact CD2-CB 4.41Å; L4-A37 HydrophobicContact CD2-CB 4.17Å; L4-F61 HydrophobicContact CD2-CE1 4.38Å; L4-I73 CarbonylContact O-C 3.58Å; L4-I73 WeakPolarHBondContact O-CA 3.37Å; L4-L74 HydrophobicContact CB-CB 3.8Å; L4-L74 PolarHBondContact O-N 3.21Å
5T95.1Very high92.8Very high2 Ų224.6 Ų24.61%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-124.6131.4163-56.60000108.1A18 T19 I72 I73 F87 I119T5-A18 CarbonylContact O-C 3.51Å; T5-A18 WeakPolarHBondContact O-CA 3.4Å; T5-A18 WeakPolarHBondContact O-CB 3.18Å; T5-T19 PolarHBondContact N-O 3.13Å; T5-T19 PolarHBondContact O-N 3.06Å; T5-I72 CarbonylContact C-O 3.54Å; T5-I72 WeakPolarHBondContact CA-O 3.37Å; T5-I73 HydrophobicContact CG2-CG2 4.08Å; T5-F87 HydrophobicContact CG2-CE1 4.14Å; T5-F87 HydrophobicContact CG2-CZ 4.32Å; T5-I119 HydrophobicContact CG2-CD1 4.17Å; T5-I119 HydrophobicContact CG2-CG2 4Å
6L95.3Very high93Very high2 Ų223.1 Ų23.11%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-132.5130.4176.9176.666.5000109.3P15 A18 A37 K38 I72L6-P15 HydrophobicContact CD1-CB 4.08Å; L6-A18 HydrophobicContact CD1-CB 3.94Å; L6-A37 HydrophobicContact CD2-CB 3.84Å; L6-K38 HydrophobicContact CD2-CG 4.21Å; L6-I72 HydrophobicContact CB-CB 4.46Å; L6-I72 HydrophobicContact CD2-CD1 4.48Å; L6-I72 PolarHBondContact N-O 2.82Å; L6-I72 PolarHBondContact O-N 3.27Å
7I96.9Very high93Very high0 Ų021.8 Ų21.80%014%0.135CC..EExtended strand (participates in β ladder)trans-115125.2171.2-50.8-177.4000107L16 A17 V69 C70 Y71 I91 F95 F115 I119I7-L16 HydrophobicContact CG2-CB 4.31Å; I7-L16 HydrophobicContact CG2-CD1 4.33Å; I7-L16 WeakPolarHBondContact O-CB 3.27Å; I7-L16 PolarHBondContact O-N 2.87Å; I7-A17 HydrophobicContact CB-CB 4.37Å; I7-A17 HydrophobicContact CD1-CB 4.28Å; I7-A17 HydrophobicContact CG1-CB 4.49Å; I7-A17 PolarHBondContact N-O 2.88Å; I7-A17 PolarHBondContact O-N 3.23Å; I7-V69 HydrophobicContact CG2-CG1 3.62Å; I7-C70 WeakPolarHBondContact CA-O 3.34Å; I7-Y71 HydrophobicContact CB-CD1 4.37Å; I7-Y71 HydrophobicContact CD1-CD1 4.02Å; I7-Y71 HydrophobicContact CD1-CE1 4.18Å; I7-Y71 HydrophobicContact CG1-CD1 3.91Å; I7-Y71 HydrophobicContact CG1-CE1 4.4Å; I7-Y71 HydrophobicContact CG2-CD1 3.77Å; I7-Y71 HydrophobicContact CG2-CE1 3.64Å; I7-I91 HydrophobicContact CD1-CG2 3.7Å; I7-I91 HydrophobicContact CG1-CG2 4.41Å; I7-F95 HydrophobicContact CD1-CB 4.25Å; I7-F95 HydrophobicContact CD1-CD2 3.66Å; I7-F95 HydrophobicContact CD1-CE2 4.18Å; I7-F95 HydrophobicContact CD1-CG 3.91Å; I7-F95 HydrophobicContact CG2-CD1 3.96Å; I7-F95 HydrophobicContact CG2-CD2 4.45Å; I7-F95 HydrophobicContact CG2-CE1 3.78Å; I7-F95 HydrophobicContact CG2-CE2 4.31Å; I7-F95 HydrophobicContact CG2-CG 4.3Å; I7-F95 HydrophobicContact CG2-CZ 3.99Å; I7-F115 HydrophobicContact CD1-CD1 3.9Å; I7-F115 HydrophobicContact CD1-CE1 3.73Å; I7-I119 HydrophobicContact CD1-CD1 4.44Å
8A95.5Very high92.9Very high2 Ų221.9 Ų21.92%0.01714%0.138CC..EExtended strand (participates in β ladder)trans-143146.1-176.900000112.2L14 V41 V69 C70A8-L14 CarbonylContact C-O 3.42Å; A8-L14 VanDerWaalsContact CA-O 3.27Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; A8-V41 HydrophobicContact CB-CB 4.37Å; A8-V41 HydrophobicContact CB-CG1 3.82Å; A8-V41 HydrophobicContact CB-CG2 3.85Å; A8-V69 WeakPolarHBondContact O-CA 3.23Å; A8-C70 PolarHBondContact N-O 3.43Å; A8-C70 PolarHBondContact O-N 2.94Å
9R95Very high92.8Very high20 Ų2021.1 Ų21.18%0.07513%0.133CC..EExtended strand (participates in β ladder)trans-78.1129.9171.3-176.2168.563-162.65.5109A11 D12 G13 L14 L16 I103 Q104 V106R9-A11 HydrophobicContact CG-CB 4.31Å; R9-D12 IonicContact CZ-OD1 3.57Å; R9-D12 IonicContact CZ-OD2 3.77Å; R9-D12 IonicContact NE-OD1 3.37Å; R9-D12 PolarHBondContact NE-OD1 2.97Å; R9-D12 IonicContact NE-OD2 3.58Å; R9-D12 PolarHBondContact NE-OD2 3.24Å; R9-D12 IonicContact NH2-OD1 3.32Å; R9-D12 IonicContact NH2-OD2 3.79Å; R9-D12 PolarHBondContact NH2-OD2 3.01Å; R9-G13 CarbonylContact O-C 3.49Å; R9-G13 WeakPolarHBondContact O-CA 3.3Å; R9-G13 PolarHBondContact O-N 3.28Å; R9-L14 HydrophobicContact CB-CB 4.43Å; R9-L14 PolarHBondContact N-O 2.75Å; R9-L14 PolarHBondContact O-N 2.6Å; R9-L16 HydrophobicContact CB-CD1 4.23Å; R9-L16 HydrophobicContact CB-CD2 4.24Å; R9-L16 HydrophobicContact CB-CG 4.41Å; R9-I103 WeakPolarHBondContact CD-O 2.98Å; R9-I103 PolarHBondContact NH1-O 3.39Å; R9-Q104 VanDerWaalsContact NH1-C 3.32Å; R9-Q104 PolarHBondContact NH1-O 3.39Å; R9-Q104 VanDerWaalsContact NH1-O 3.17Å; R9-V106 PolarHBondContact NH1-O 2.97Å; R9-V106 PolarHBondContact NH2-O 3.32Å
10V93.5Very high92.5Very high29 Ų2922.3 Ų22.318%0.17614%0.138CC..THydrogen-bonded Turntrans-74.9-34.1-174.6173.70000112.4D12 V41 M44 L65 G68 C70V10-D12 PolarHBondContact O-N 2.63Å; V10-D12 VanDerWaalsContact O-N 3.11Å; V10-V41 HydrophobicContact CG2-CG1 4.4Å; V10-M44 HydrophobicContact CG1-CB 3.82Å; V10-M44 HydrophobicContact CG2-SD 4.25Å; V10-L65 HydrophobicContact CG2-CD1 3.59Å; V10-G68 PolarHBondContact N-O 3.23Å; V10-C70 HydrophobicContact CG2-CB 3.8Å
11A91.5Very high92Very high90 Ų9024.1 Ų24.174%0.74415%0.145SC*.THydrogen-bonded Turntrans-55.9-33.2-174.900000113.8R9R9-A11 HydrophobicContact CG-CB 4.31Å
12D90.4Very high91.2Very high88 Ų8825.2 Ų25.247%0.47115%0.152SC..THydrogen-bonded Turntrans-135.73.9-175.861-16.1000113.8R9 V10 L14R9-D12 IonicContact CZ-OD1 3.57Å; R9-D12 IonicContact CZ-OD2 3.77Å; R9-D12 IonicContact NE-OD1 3.37Å; R9-D12 PolarHBondContact NE-OD1 2.97Å; R9-D12 IonicContact NE-OD2 3.58Å; R9-D12 PolarHBondContact NE-OD2 3.24Å; R9-D12 IonicContact NH2-OD1 3.32Å; R9-D12 IonicContact NH2-OD2 3.79Å; R9-D12 PolarHBondContact NH2-OD2 3.01Å; V10-D12 PolarHBondContact O-N 2.63Å; V10-D12 VanDerWaalsContact O-N 3.11Å; D12-L14 PolarHBondContact O-N 3.44Å; D12-L14 VanDerWaalsContact OD1-CB 3.29Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 2.94Å; D12-L14 WeakPolarHBondContact OD2-CB 3.29Å
13G90.7Very high90.2Very high16 Ų1627.2 Ų27.217%0.16516%0.163CC..  trans66.416.8-175.900000114R9 P15R9-G13 CarbonylContact O-C 3.49Å; R9-G13 WeakPolarHBondContact O-CA 3.3Å; R9-G13 PolarHBondContact O-N 3.28Å; G13-P15 VanDerWaalsContact O-CD 3.28Å; G13-P15 WeakPolarHBondContact O-CD 3.37Å
14L91.9Very high89.2Confident17 Ų1734.5 Ų34.59%0.08920%0.198CC..  trans-68.3118.1-175.8-177.171.7000110.3A8 R9 D12 L16 V106 P109A8-L14 CarbonylContact C-O 3.42Å; A8-L14 VanDerWaalsContact CA-O 3.27Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; R9-L14 HydrophobicContact CB-CB 4.43Å; R9-L14 PolarHBondContact N-O 2.75Å; R9-L14 PolarHBondContact O-N 2.6Å; D12-L14 PolarHBondContact O-N 3.44Å; D12-L14 VanDerWaalsContact OD1-CB 3.29Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 2.94Å; D12-L14 WeakPolarHBondContact OD2-CB 3.29Å; L14-L16 HydrophobicContact CD2-CD2 4.08Å; L14-L16 HydrophobicContact CG-CD2 4.28Å; L14-L16 PolarHBondContact O-N 3.15Å; L14-V106 HydrophobicContact CD2-CG1 4.09Å; L14-V106 WeakPolarHBondContact CD2-O 3.36Å; L14-P109 HydrophobicContact CD1-CB 4.25Å; L14-P109 HydrophobicContact CD1-CG 3.87Å
15P93.8Very high88Confident19 Ų1942.2 Ų42.212%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-69.4131.9173.229.5-34.9000109.7L6 G13 P109 Y110L6-P15 HydrophobicContact CD1-CB 4.08Å; G13-P15 VanDerWaalsContact O-CD 3.28Å; G13-P15 WeakPolarHBondContact O-CD 3.37Å; P15-P109 HydrophobicContact CG-CB 4.02Å; P15-Y110 HydrophobicContact CB-CD1 4.27Å; P15-Y110 HydrophobicContact CB-CD2 4.31Å; P15-Y110 HydrophobicContact CB-CE1 3.69Å; P15-Y110 HydrophobicContact CB-CE2 3.67Å; P15-Y110 HydrophobicContact CG-CD2 3.93Å; P15-Y110 HydrophobicContact CG-CE1 4.26Å; P15-Y110 HydrophobicContact CG-CE2 3.26Å; P15-Y110 PolarHBondContact O-N 3.29Å
16L94.7Very high87Confident0 Ų042.2 Ų42.20%023%0.233CC..EExtended strand (participates in β ladder)trans-103.1-43.4-174.6-58.6-177.8000111.4I7 R9 L14 V69 F95 I103 V106 Y110 A111 F112I7-L16 HydrophobicContact CG2-CB 4.31Å; I7-L16 HydrophobicContact CG2-CD1 4.33Å; I7-L16 WeakPolarHBondContact O-CB 3.27Å; I7-L16 PolarHBondContact O-N 2.87Å; R9-L16 HydrophobicContact CB-CD1 4.23Å; R9-L16 HydrophobicContact CB-CD2 4.24Å; R9-L16 HydrophobicContact CB-CG 4.41Å; L14-L16 HydrophobicContact CD2-CD2 4.08Å; L14-L16 HydrophobicContact CG-CD2 4.28Å; L14-L16 PolarHBondContact O-N 3.15Å; L16-V69 HydrophobicContact CD1-CG1 4.17Å; L16-F95 HydrophobicContact CB-CZ 3.82Å; L16-F95 HydrophobicContact CD1-CE1 3.86Å; L16-F95 HydrophobicContact CD1-CZ 3.9Å; L16-I103 HydrophobicContact CD1-CG2 4.2Å; L16-V106 HydrophobicContact CD2-CG1 3.99Å; L16-Y110 CarbonylContact O-C 3.55Å; L16-Y110 VanDerWaalsContact O-CA 3.32Å; L16-Y110 WeakPolarHBondContact O-CA 3.46Å; L16-A111 PolarHBondContact O-N 3.49Å; L16-F112 HydrophobicContact CB-CD2 3.82Å; L16-F112 HydrophobicContact CB-CE2 4.12Å; L16-F112 HydrophobicContact CD2-CE2 4.07Å; L16-F112 HydrophobicContact CG-CE2 4.46Å; L16-F112 PolarHBondContact O-N 3.09Å; L16-F112 VanDerWaalsContact O-N 3.1Å
17A93.7Very high85.8Confident2 Ų245 Ų452%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-152.9154.1174.400000109.8I7 F95 F115I7-A17 HydrophobicContact CB-CB 4.37Å; I7-A17 HydrophobicContact CD1-CB 4.28Å; I7-A17 HydrophobicContact CG1-CB 4.49Å; I7-A17 PolarHBondContact N-O 2.88Å; I7-A17 PolarHBondContact O-N 3.23Å; A17-F95 HydrophobicContact CB-CE2 4.34Å; A17-F115 HydrophobicContact CB-CB 4.43Å
18A92Very high84.6Confident24 Ų2455.9 Ų55.920%0.19829%0.289CS..EExtended strand (participates in β ladder)trans-157.2154.5171.600000111.7T5 L6 Y110T5-A18 CarbonylContact O-C 3.51Å; T5-A18 WeakPolarHBondContact O-CA 3.4Å; T5-A18 WeakPolarHBondContact O-CB 3.18Å; L6-A18 HydrophobicContact CD1-CB 3.94Å; A18-Y110 HydrophobicContact CB-CD1 4.23Å; A18-Y110 HydrophobicContact CB-CE1 3.66Å
19T90.3Very high83.9Confident5 Ų559.9 Ų59.93%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-138.5137.7177-54.60000108.8L4 T5 D116 I119 H120L4-T19 WeakPolarHBondContact CA-O 3.25Å; T5-T19 PolarHBondContact N-O 3.13Å; T5-T19 PolarHBondContact O-N 3.06Å; T19-D116 WeakPolarHBondContact CB-OD1 3.46Å; T19-D116 VanDerWaalsContact CG2-OD1 3.31Å; T19-D116 WeakPolarHBondContact CG2-OD1 3.36Å; T19-D116 PolarHBondContact OG1-OD1 2.81Å; T19-I119 HydrophobicContact CG2-CG2 4.19Å; T19-I119 WeakPolarHBondContact OG1-CD1 3.21Å; T19-I119 WeakPolarHBondContact OG1-CG2 3.46Å; T19-H120 WeakPolarHBondContact CG2-CE1 3.34Å; T19-H120 VanDerWaalsContact CG2-NE2 3.35Å; T19-H120 WeakPolarHBondContact CG2-NE2 3.13Å
20I87.7Confident83.4Confident46 Ų4659.1 Ų59.124%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-121.5129.6174.7-63.2170.6000107.3Y3 L4 I30Y3-I20 WeakPolarHBondContact O-CA 3.2Å; L4-I20 HydrophobicContact CD1-CD1 4.34Å; L4-I20 HydrophobicContact CD1-CG1 3.63Å; I20-I30 HydrophobicContact CD1-CG1 4.32Å; I20-I30 HydrophobicContact CG1-CG1 4.48Å; I20-I30 HydrophobicContact CG2-CD1 4.34Å; I20-I30 HydrophobicContact CG2-CG1 3.7Å
21Q80.7Confident82.8Confident60 Ų6061.6 Ų61.628%0.2831%0.314SS..  trans-83.8136.6172.1-170.1167.73.200109.5M1 I2 Y3 D23M1-Q21 HydrophobicContact CE-CB 4.38Å; M1-Q21 HydrophobicContact CE-CG 3.72Å; M1-Q21 VanDerWaalsContact CE-NE2 3.34Å; M1-Q21 VanDerWaalsContact CE-OE1 3.26Å; M1-Q21 VanDerWaalsContact CG-OE1 3.26Å; M1-Q21 VanDerWaalsContact SD-CD 3.55Å; M1-Q21 PolarHBondContact SD-NE2 2.92Å; M1-Q21 PolarHBondContact SD-OE1 3.4Å; M1-Q21 VanDerWaalsContact SD-OE1 3.37Å; I2-Q21 PolarHBondContact O-OE1 3.42Å; Y3-Q21 PolarHBondContact O-N 2.96Å; Q21-D23 PolarHBondContact O-N 3.43Å
22D70Confident82.6Confident87 Ų8762.6 Ų62.647%0.46530%0.303SS..  trans-66.2118.4172.5-67-16.7000110R180D22-R180 IonicContact OD1-CZ 3.47Å; D22-R180 IonicContact OD1-NH1 2.73Å; D22-R180 PolarHBondContact OD1-NH1 3.42Å; D22-R180 IonicContact OD2-CZ 3.58Å; D22-R180 IonicContact OD2-NH1 2.64Å; D22-R180 PolarHBondContact OD2-NH1 3.39Å; D22-R180 IonicContact OD2-NH2 3.85Å; D22-R180 PolarHBondContact OD2-NH2 2.95Å
23D71.6Confident82.6Confident42 Ų4259 Ų5923%0.22528%0.283CS..  trans-137.9120.4163.2-174.7-56.2000106.7M1 Y3 Q21 Q25 L26 N27M1-D23 HydrophobicContact CE-CB 4.46Å; Y3-D23 HydrophobicContact CD1-CB 4.26Å; Y3-D23 HydrophobicContact CE1-CB 4.16Å; Q21-D23 PolarHBondContact O-N 3.43Å; D23-Q25 PolarHBondContact O-N 2.61Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.46Å; D23-Q25 PolarHBondContact OD1-N 2.63Å; D23-L26 HydrophobicContact CB-CB 3.98Å; D23-L26 PolarHBondContact O-N 3.37Å; D23-L26 PolarHBondContact OD1-N 2.87Å; D23-N27 VanDerWaalsContact O-CB 3.26Å; D23-N27 WeakPolarHBondContact O-CB 3.32Å; D23-N27 PolarHBondContact O-N 3.32Å; D23-N27 PolarHBondContact O-ND2 3.18Å; D23-N27 VanDerWaalsContact O-ND2 3.16Å; D23-N27 PolarHBondContact O-OD1 2.85Å
24E69.5Low82.5Confident173 Ų17358.4 Ų58.481%0.80828%0.276SS*.THydrogen-bonded Turntrans-60.5-31.5-174-70.7-171.8164.600112.9
25Q67.4Low82.3Confident163 Ų16358.5 Ų58.576%0.76228%0.276SS*.THydrogen-bonded Turntrans-75.7-48178.6-65.6-176.3-14.900110.1D23 N27D23-Q25 PolarHBondContact O-N 2.61Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.46Å; D23-Q25 PolarHBondContact OD1-N 2.63Å; Q25-N27 VanDerWaalsContact C-N 3.31Å; Q25-N27 PolarHBondContact O-N 2.76Å
26L74.2Confident82.2Confident1 Ų158.9 Ų58.91%0.00528%0.276CS..G310 helixtrans-71.2-25.8-179-172.662.6000112.8Y3 D23 R28 E29 I30 Y33 Y59 L74Y3-L26 HydrophobicContact CD1-CD2 3.35Å; Y3-L26 HydrophobicContact CD2-CD2 3.92Å; Y3-L26 HydrophobicContact CE1-CD2 4.1Å; Y3-L26 HydrophobicContact CG-CD2 3.23Å; D23-L26 HydrophobicContact CB-CB 3.98Å; D23-L26 PolarHBondContact O-N 3.37Å; D23-L26 PolarHBondContact OD1-N 2.87Å; L26-R28 PolarHBondContact O-N 2.8Å; L26-E29 HydrophobicContact CD1-CB 4.43Å; L26-E29 CarbonylContact O-C 3.55Å; L26-E29 PolarHBondContact O-N 3.21Å; L26-I30 HydrophobicContact CD2-CD1 3.8Å; L26-I30 HydrophobicContact CG-CB 4.2Å; L26-I30 HydrophobicContact CG-CD1 4Å; L26-I30 WeakPolarHBondContact O-CB 3.45Å; L26-I30 PolarHBondContact O-N 3.37Å; L26-Y33 HydrophobicContact CD1-CD2 3.86Å; L26-Y33 HydrophobicContact CD1-CE2 3.82Å; L26-Y59 HydrophobicContact CD1-CD2 4.45Å; L26-Y59 HydrophobicContact CD1-CE2 3.63Å; L26-L74 HydrophobicContact CD2-CD2 4.36Å
27N70.4Confident82.1Confident62 Ų6258.9 Ų58.933%0.33228%0.276SS..G310 helixtrans-54.4-23.9-178.2-84.5-23.5000113.9D23 Q25D23-N27 VanDerWaalsContact O-CB 3.26Å; D23-N27 WeakPolarHBondContact O-CB 3.32Å; D23-N27 PolarHBondContact O-N 3.32Å; D23-N27 PolarHBondContact O-ND2 3.18Å; D23-N27 VanDerWaalsContact O-ND2 3.16Å; D23-N27 PolarHBondContact O-OD1 2.85Å; Q25-N27 VanDerWaalsContact C-N 3.31Å; Q25-N27 PolarHBondContact O-N 2.76Å
28R72.8Confident81.9Confident227 Ų22759.7 Ų59.786%0.85728%0.28SS*.G310 helixtrans-76.9-35.8174.9-63.9-174.4-178-164.40.9112.8L26L26-R28 PolarHBondContact O-N 2.8Å
29E80.8Confident81.9Confident87 Ų8759 Ų5941%0.40727%0.274SS..THydrogen-bonded Turntrans-101.4-13-175.7-60.8-177.1-175.800113.3L26 F31 Q32 Y33L26-E29 HydrophobicContact CD1-CB 4.43Å; L26-E29 CarbonylContact O-C 3.55Å; L26-E29 PolarHBondContact O-N 3.21Å; E29-F31 PolarHBondContact O-N 3.49Å; E29-Q32 WeakPolarHBondContact O-CA 3.34Å; E29-Q32 VanDerWaalsContact O-CB 3.29Å; E29-Q32 WeakPolarHBondContact O-CB 3.32Å; E29-Q32 PolarHBondContact O-N 3.42Å; E29-Y33 HydrophobicContact CB-CD2 4.13Å; E29-Y33 HydrophobicContact CB-CE2 3.68Å; E29-Y33 VanDerWaalsContact O-CD2 3.3Å; E29-Y33 WeakPolarHBondContact O-CD2 3.22Å; E29-Y33 PolarHBondContact O-N 3.19Å; E29-Y33 PolarHBondContact OE2-OH 3.32Å
30I83.6Confident82Confident4 Ų458.9 Ų58.92%0.02127%0.273CS..Hα-helixtrans-58.2-30.8-173.6-164.753.1000112.5L4 I20 L26 Y33 Q34 L74L4-I30 HydrophobicContact CB-CD1 4.18Å; I20-I30 HydrophobicContact CD1-CG1 4.32Å; I20-I30 HydrophobicContact CG1-CG1 4.48Å; I20-I30 HydrophobicContact CG2-CD1 4.34Å; I20-I30 HydrophobicContact CG2-CG1 3.7Å; L26-I30 HydrophobicContact CD2-CD1 3.8Å; L26-I30 HydrophobicContact CG-CB 4.2Å; L26-I30 HydrophobicContact CG-CD1 4Å; L26-I30 WeakPolarHBondContact O-CB 3.45Å; L26-I30 PolarHBondContact O-N 3.37Å; I30-Y33 PolarHBondContact O-N 3.12Å; I30-Q34 WeakPolarHBondContact O-CB 3.46Å; I30-Q34 PolarHBondContact O-N 2.97Å; I30-L74 HydrophobicContact CD1-CD2 4.32Å
31F80.8Confident82.2Confident81 Ų8156.8 Ų56.836%0.35526%0.262SS..Hα-helixtrans-63.8-40.8174.8-66.1-60.4000112.3E29 Q34 N35E29-F31 PolarHBondContact O-N 3.49Å; F31-Q34 PolarHBondContact O-N 3.08Å; F31-N35 WeakPolarHBondContact O-CB 3.42Å; F31-N35 VanDerWaalsContact O-CG 3.3Å; F31-N35 PolarHBondContact O-N 2.9Å; F31-N35 PolarHBondContact O-ND2 2.84Å
32Q86.9Confident82.6Confident110 Ų11057.8 Ų57.851%0.51428%0.275SS..Hα-helixtrans-63.1-49.2176-179.7-178.4-12.100110.4E29 Q34 N35 Q36E29-Q32 WeakPolarHBondContact O-CA 3.34Å; E29-Q32 VanDerWaalsContact O-CB 3.29Å; E29-Q32 WeakPolarHBondContact O-CB 3.32Å; E29-Q32 PolarHBondContact O-N 3.42Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.41Å; Q32-N35 PolarHBondContact O-N 2.85Å; Q32-Q36 WeakPolarHBondContact O-CG 3.42Å; Q32-Q36 PolarHBondContact O-N 2.86Å
33Y90.7Very high83.4Confident12 Ų1257.5 Ų57.55%0.04727%0.268CS..Hα-helixtrans-64.5-36.1178.3-65.2-68.6000112.3L26 E29 I30 N35 Q36 A37 A56 Y59 F61 L74L26-Y33 HydrophobicContact CD1-CD2 3.86Å; L26-Y33 HydrophobicContact CD1-CE2 3.82Å; E29-Y33 HydrophobicContact CB-CD2 4.13Å; E29-Y33 HydrophobicContact CB-CE2 3.68Å; E29-Y33 VanDerWaalsContact O-CD2 3.3Å; E29-Y33 WeakPolarHBondContact O-CD2 3.22Å; E29-Y33 PolarHBondContact O-N 3.19Å; E29-Y33 PolarHBondContact OE2-OH 3.32Å; I30-Y33 PolarHBondContact O-N 3.12Å; Y33-N35 VanDerWaalsContact C-N 3.35Å; Y33-N35 PolarHBondContact O-N 3.41Å; Y33-Q36 PolarHBondContact O-N 2.88Å; Y33-A37 WeakPolarHBondContact O-CB 3.49Å; Y33-A37 PolarHBondContact O-N 3.49Å; Y33-A56 HydrophobicContact CD1-CB 4.35Å; Y33-A56 HydrophobicContact CE1-CB 4.09Å; Y33-Y59 AromaticContact CE1-CD2 3.92Å; Y33-Y59 HydrophobicContact CE1-CD2 3.92Å; Y33-Y59 AromaticContact CE2-CD2 3.75Å; Y33-Y59 HydrophobicContact CE2-CD2 3.75Å; Y33-Y59 AromaticContact CE2-CE2 3.75Å; Y33-Y59 HydrophobicContact CE2-CE2 3.75Å; Y33-Y59 AromaticContact CZ-CD2 3.41Å; Y33-Y59 VanDerWaalsContact CZ-CD2 3.41Å; Y33-Y59 AromaticContact CZ-CE2 3.79Å; Y33-Y59 WeakPolarHBondContact OH-CD2 3.47Å; Y33-F61 HydrophobicContact CD1-CE2 4.07Å; Y33-F61 HydrophobicContact CD1-CZ 4.11Å; Y33-F61 WeakPolarHBondContact O-CZ 3.16Å; Y33-L74 HydrophobicContact CD1-CD1 4.05Å; Y33-L74 HydrophobicContact CD1-CD2 4.23Å; Y33-L74 HydrophobicContact CD2-CD2 4.02Å; Y33-L74 HydrophobicContact CG-CD1 4.37Å; Y33-L74 HydrophobicContact CG-CD2 3.73Å
34Q88.5Confident84.2Confident4 Ų456.5 Ų56.52%0.01926%0.262CS..Hα-helixtrans-64-40.9174-168.4-173.538.300111.8L4 I30 F31 Q32 A37 K38L4-Q34 HydrophobicContact CD2-CB 4.41Å; I30-Q34 WeakPolarHBondContact O-CB 3.46Å; I30-Q34 PolarHBondContact O-N 2.97Å; F31-Q34 PolarHBondContact O-N 3.08Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.41Å; Q34-A37 PolarHBondContact O-N 3.49Å; Q34-K38 WeakPolarHBondContact O-CG 3.41Å; Q34-K38 PolarHBondContact O-N 3.17Å
35N88Confident85Confident19 Ų1951.2 Ų51.210%0.10224%0.241CC..Hα-helixtrans-66.5-41.7176-74.7-17.1000111.6F31 Q32 Y33 K38 A39 A169F31-N35 WeakPolarHBondContact O-CB 3.42Å; F31-N35 VanDerWaalsContact O-CG 3.3Å; F31-N35 PolarHBondContact O-N 2.9Å; F31-N35 PolarHBondContact O-ND2 2.84Å; Q32-N35 PolarHBondContact O-N 2.85Å; Y33-N35 VanDerWaalsContact C-N 3.35Å; Y33-N35 PolarHBondContact O-N 3.41Å; N35-K38 PolarHBondContact O-N 2.79Å; N35-A39 WeakPolarHBondContact O-CB 3.37Å; N35-A39 PolarHBondContact O-N 3.22Å; N35-A169 VanDerWaalsContact OD1-CB 3.23Å; N35-A169 WeakPolarHBondContact OD1-CB 3.49Å
36Q91.5Very high85.9Confident27 Ų2750.3 Ų50.313%0.12625%0.249CC..Hα-helixtrans-60-43.9172.7-75.8-179.3-19.100111.8Q32 Y33 K38 A39 L40 F61 I152 L156Q32-Q36 WeakPolarHBondContact O-CG 3.42Å; Q32-Q36 PolarHBondContact O-N 2.86Å; Y33-Q36 PolarHBondContact O-N 2.88Å; Q36-K38 PolarHBondContact O-N 3.36Å; Q36-A39 PolarHBondContact O-N 3.06Å; Q36-L40 WeakPolarHBondContact O-CB 3.34Å; Q36-L40 PolarHBondContact O-N 3.38Å; Q36-F61 HydrophobicContact CB-CE2 4.31Å; Q36-F61 HydrophobicContact CB-CZ 4.33Å; Q36-I152 HydrophobicContact CB-CD1 3.81Å; Q36-I152 HydrophobicContact CG-CD1 4.32Å; Q36-L156 HydrophobicContact CB-CD1 4.19Å; Q36-L156 HydrophobicContact CG-CD1 3.96Å
37A92.7Very high86.6Confident0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-62.1-43.2176.600000112L4 L6 Y33 Q34 L40 V41 F61 I72L4-A37 HydrophobicContact CD2-CB 4.17Å; L6-A37 HydrophobicContact CD2-CB 3.84Å; Y33-A37 WeakPolarHBondContact O-CB 3.49Å; Y33-A37 PolarHBondContact O-N 3.49Å; Q34-A37 PolarHBondContact O-N 3.49Å; A37-L40 WeakPolarHBondContact O-CB 3.38Å; A37-L40 PolarHBondContact O-N 3.43Å; A37-V41 WeakPolarHBondContact O-CG2 3.21Å; A37-V41 PolarHBondContact O-N 2.78Å; A37-V41 VanDerWaalsContact O-N 3.16Å; A37-F61 HydrophobicContact CB-CE1 3.86Å; A37-F61 HydrophobicContact CB-CZ 4.29Å; A37-I72 HydrophobicContact CB-CG2 4.34Å
38K90.7Very high87.5Confident20 Ų2054.7 Ų54.79%0.08728%0.28CS..Hα-helixtrans-63.4-45.3174.5-71.1170.9-176.8167.60111.7L6 Q34 N35 Q36 L40 V41 C42 Y110 L165L6-K38 HydrophobicContact CD2-CG 4.21Å; Q34-K38 WeakPolarHBondContact O-CG 3.41Å; Q34-K38 PolarHBondContact O-N 3.17Å; N35-K38 PolarHBondContact O-N 2.79Å; Q36-K38 PolarHBondContact O-N 3.36Å; K38-L40 VanDerWaalsContact C-N 3.27Å; K38-L40 PolarHBondContact O-N 2.88Å; K38-V41 PolarHBondContact O-N 2.79Å; K38-C42 PolarHBondContact O-N 3.03Å; K38-C42 VanDerWaalsContact O-N 3.11Å; K38-C42 PolarHBondContact O-SG 2.93Å; K38-C42 VanDerWaalsContact O-SG 3.37Å; K38-Y110 WeakPolarHBondContact CE-OH 3.24Å; K38-L165 HydrophobicContact CB-CD2 4.23Å; K38-L165 HydrophobicContact CD-CD2 4.12Å
39A90.6Very high88.5Confident9 Ų946.2 Ų46.27%0.07425%0.254CS..Hα-helixtrans-60.7-39.9177.100000111.3N35 Q36 V41 C42 R43 L156N35-A39 WeakPolarHBondContact O-CB 3.37Å; N35-A39 PolarHBondContact O-N 3.22Å; Q36-A39 PolarHBondContact O-N 3.06Å; A39-V41 PolarHBondContact O-N 2.85Å; A39-C42 PolarHBondContact O-N 3.21Å; A39-R43 VanDerWaalsContact O-CG 3.22Å; A39-R43 WeakPolarHBondContact O-CG 3.43Å; A39-R43 PolarHBondContact O-N 3.49Å; A39-L156 HydrophobicContact CB-CD2 3.72Å
40L92.5Very high89.1Confident3 Ų345 Ų452%0.01626%0.256CS..Hα-helixtrans-57.8-49175.317866.6000111.3Q36 A37 K38 C42 R43 M44 L54 Y63 I72 V155 L156Q36-L40 WeakPolarHBondContact O-CB 3.34Å; Q36-L40 PolarHBondContact O-N 3.38Å; A37-L40 WeakPolarHBondContact O-CB 3.38Å; A37-L40 PolarHBondContact O-N 3.43Å; K38-L40 VanDerWaalsContact C-N 3.27Å; K38-L40 PolarHBondContact O-N 2.88Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.42Å; L40-R43 PolarHBondContact O-N 3.27Å; L40-R43 VanDerWaalsContact O-N 3.1Å; L40-M44 HydrophobicContact CD1-CE 4.41Å; L40-M44 HydrophobicContact CD2-CE 4.15Å; L40-M44 HydrophobicContact CG-CE 3.84Å; L40-M44 VanDerWaalsContact O-CG 3.31Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 3.08Å; L40-L54 HydrophobicContact CD1-CD1 3.45Å; L40-L54 VanDerWaalsContact CD1-CD1 3.45Å; L40-L54 HydrophobicContact CD2-CD1 3.5Å; L40-L54 VanDerWaalsContact CD2-CD1 3.5Å; L40-L54 HydrophobicContact CG-CD1 4.11Å; L40-Y63 HydrophobicContact CD2-CD1 3.99Å; L40-I72 HydrophobicContact CD2-CD1 4.11Å; L40-V155 HydrophobicContact CD1-CB 4.45Å; L40-V155 HydrophobicContact CD1-CG1 3.57Å; L40-L156 HydrophobicContact CB-CD2 4.46Å
41V92Very high89.7Confident1 Ų149.1 Ų49.11%0.00627%0.271CS..Hα-helixtrans-57.6-46.7177.1179.40000110.9A8 V10 A37 K38 A39 R43 M44 C70 I72A8-V41 HydrophobicContact CB-CB 4.37Å; A8-V41 HydrophobicContact CB-CG1 3.82Å; A8-V41 HydrophobicContact CB-CG2 3.85Å; V10-V41 HydrophobicContact CG2-CG1 4.4Å; A37-V41 WeakPolarHBondContact O-CG2 3.21Å; A37-V41 PolarHBondContact O-N 2.78Å; A37-V41 VanDerWaalsContact O-N 3.16Å; K38-V41 PolarHBondContact O-N 2.79Å; A39-V41 PolarHBondContact O-N 2.85Å; V41-R43 PolarHBondContact O-N 3.43Å; V41-M44 WeakPolarHBondContact O-CB 3.49Å; V41-M44 PolarHBondContact O-N 3.45Å; V41-M44 VanDerWaalsContact O-N 3.11Å; V41-C70 HydrophobicContact CG2-CB 4.24Å; V41-I72 HydrophobicContact CG2-CD1 3.36Å
42C88.9Confident90.4Very high81 Ų8145.2 Ų45.255%0.54725%0.254SS..Hα-helixtrans-65.9-19.5-179.8-63.90000113.7K38 A39 L40K38-C42 PolarHBondContact O-N 3.03Å; K38-C42 VanDerWaalsContact O-N 3.11Å; K38-C42 PolarHBondContact O-SG 2.93Å; K38-C42 VanDerWaalsContact O-SG 3.37Å; A39-C42 PolarHBondContact O-N 3.21Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.42Å
43R86.9Confident90.9Very high82 Ų8240 Ų4031%0.30923%0.23SC..Hα-helixtrans-91.3-9.2176.7-67.7-71.5180-167.6-10.5113.2A39 L40 V41 T45 R158 G159A39-R43 VanDerWaalsContact O-CG 3.22Å; A39-R43 WeakPolarHBondContact O-CG 3.43Å; A39-R43 PolarHBondContact O-N 3.49Å; L40-R43 PolarHBondContact O-N 3.27Å; L40-R43 VanDerWaalsContact O-N 3.1Å; V41-R43 PolarHBondContact O-N 3.43Å; R43-T45 PolarHBondContact O-N 3.05Å; R43-R158 PolarHBondContact NH1-O 3.2Å; R43-R158 VanDerWaalsContact NH1-O 3.08Å; R43-G159 PolarHBondContact NH1-O 2.93Å; R43-G159 PolarHBondContact NH2-O 2.84Å
44M89Confident91.2Very high20 Ų2039.5 Ų39.510%0.09923%0.228CC..  trans-67.1133.3-178.7-65.3-165.5174.500110.8V10 L40 V41 Y63 L65 C70V10-M44 HydrophobicContact CG1-CB 3.82Å; V10-M44 HydrophobicContact CG2-SD 4.25Å; L40-M44 HydrophobicContact CD1-CE 4.41Å; L40-M44 HydrophobicContact CD2-CE 4.15Å; L40-M44 HydrophobicContact CG-CE 3.84Å; L40-M44 VanDerWaalsContact O-CG 3.31Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 3.08Å; V41-M44 WeakPolarHBondContact O-CB 3.49Å; V41-M44 PolarHBondContact O-N 3.45Å; V41-M44 VanDerWaalsContact O-N 3.11Å; M44-Y63 HydrophobicContact CE-CD1 3.96Å; M44-Y63 HydrophobicContact CE-CD2 3.7Å; M44-Y63 HydrophobicContact CE-CE1 4.01Å; M44-Y63 HydrophobicContact CE-CE2 3.83Å; M44-Y63 HydrophobicContact CE-CG 3.81Å; M44-L65 HydrophobicContact SD-CD1 4.49Å; M44-C70 HydrophobicContact CE-CB 4.35Å; M44-C70 WeakPolarHBondContact CE-SG 3.39Å; M44-C70 HydrophobicContact SD-CB 3.92Å
45T86.6Confident91.5Very high62 Ų6242.9 Ų42.938%0.3825%0.245SC..  trans-111.4164.7176.263.20000109.8R43 T47 S48R43-T45 PolarHBondContact O-N 3.05Å; T45-T47 PolarHBondContact O-N 3.06Å; T45-T47 VanDerWaalsContact O-N 3.07Å; T45-T47 PolarHBondContact OG1-N 2.99Å; T45-T47 PolarHBondContact OG1-OG1 3.41Å; T45-S48 PolarHBondContact N-OG 3.5Å; T45-S48 WeakPolarHBondContact O-CB 3.47Å; T45-S48 PolarHBondContact O-N 3.27Å; T45-S48 PolarHBondContact O-OG 3.18Å; T45-S48 PolarHBondContact OG1-N 2.76Å; T45-S48 PolarHBondContact OG1-OG 3.49Å; T45-S48 VanDerWaalsContact OG1-OG 3.04Å
46P85.1Confident91.8Very high144 Ų14442 Ų4294%0.93524%0.241SC*.THydrogen-bonded Turntrans-57.7-20.7170.9-26.135.7000114.3
47T88.5Confident91.7Very high128 Ų12843.8 Ų43.879%0.78527%0.266SS*.THydrogen-bonded Turntrans-91.3-1.8176.755.60000113.5T45T45-T47 PolarHBondContact O-N 3.06Å; T45-T47 VanDerWaalsContact O-N 3.07Å; T45-T47 PolarHBondContact OG1-N 2.99Å; T45-T47 PolarHBondContact OG1-OG1 3.41Å
48S90.9Very high91.7Very high28 Ų2847.5 Ų47.520%0.19629%0.29CS..SBendtrans-66140.5178-66.10000110.4T45 S50T45-S48 PolarHBondContact N-OG 3.5Å; T45-S48 WeakPolarHBondContact O-CB 3.47Å; T45-S48 PolarHBondContact O-N 3.27Å; T45-S48 PolarHBondContact O-OG 3.18Å; T45-S48 PolarHBondContact OG1-N 2.76Å; T45-S48 PolarHBondContact OG1-OG 3.49Å; T45-S48 VanDerWaalsContact OG1-OG 3.04Å; S48-S50 PolarHBondContact O-N 3.44Å
49P93.3Very high91.8Very high48 Ų4848 Ų4831%0.31229%0.292SS..  trans-56.3141178.7-12.716.1000111.1R51 C52 Y63 M148P49-R51 PolarHBondContact O-N 2.86Å; P49-C52 HydrophobicContact CB-CB 4.47Å; P49-Y63 WeakPolarHBondContact O-CE2 3.47Å; P49-Y63 PolarHBondContact O-OH 3.33Å; P49-M148 HydrophobicContact CB-CE 4.28Å; P49-M148 HydrophobicContact CG-CE 3.28Å
50S94Very high92.1Very high63 Ų6348.5 Ų48.544%0.44129%0.293SS..SBendtrans-67.3-26.2177.960.80000113.1S48 L64 L65S48-S50 PolarHBondContact O-N 3.44Å; S50-L64 CarbonylContact O-C 3.37Å; S50-L64 WeakPolarHBondContact O-CA 3.26Å; S50-L65 PolarHBondContact O-N 2.84Å
51R95.2Very high92.3Very high89 Ų8948.3 Ų48.334%0.33629%0.292SS..EExtended strand (participates in β ladder)trans-137134.1174.5-68.6178.8-18076.9-6.5109.1P49 Y63 L64 F85 E89 I147P49-R51 PolarHBondContact O-N 2.86Å; R51-Y63 WeakPolarHBondContact CA-O 3.43Å; R51-L64 HydrophobicContact CG-CD1 3.55Å; R51-F85 HydrophobicContact CB-CD1 4.42Å; R51-F85 HydrophobicContact CB-CE1 3.82Å; R51-F85 HydrophobicContact CB-CZ 4.4Å; R51-F85 HydrophobicContact CG-CD1 4.19Å; R51-F85 HydrophobicContact CG-CE1 4.02Å; R51-E89 IonicContact CZ-OE1 2.67Å; R51-E89 IonicContact NE-OE1 2.76Å; R51-E89 PolarHBondContact NE-OE1 3.26Å; R51-E89 IonicContact NH2-OE1 2.91Å; R51-E89 PolarHBondContact NH2-OE1 3.1Å; R51-I147 HydrophobicContact CB-CD1 4.06Å; R51-I147 HydrophobicContact CB-CG1 4.14Å; R51-I147 HydrophobicContact CB-CG2 4.17Å
52C95.9Very high92.6Very high0 Ų048.3 Ų48.30%029%0.292CS..EExtended strand (participates in β ladder)trans-155.6153.8174-178.80000110.5P49 Y63 M148P49-C52 HydrophobicContact CB-CB 4.47Å; C52-Y63 HydrophobicContact CB-CD1 4.11Å; C52-Y63 HydrophobicContact CB-CE1 3.39Å; C52-Y63 HydrophobicContact CB-CE2 4.36Å; C52-Y63 VanDerWaalsContact CB-CZ 3.49Å; C52-Y63 WeakPolarHBondContact CB-OH 3.11Å; C52-Y63 PolarHBondContact N-O 2.87Å; C52-Y63 PolarHBondContact O-N 3.16Å; C52-M148 WeakPolarHBondContact CA-O 3.42Å; C52-M148 HydrophobicContact CB-CE 4.43Å; C52-M148 PolarHBondContact SG-O 3Å
53S97Very high93Very high1 Ų144.9 Ų44.91%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-112.1136.2168.1-49.80000109.5F61 H62 M148 V149 Q150S53-F61 CarbonylContact C-O 3.56Å; S53-F61 WeakPolarHBondContact CA-O 3.47Å; S53-H62 WeakPolarHBondContact CB-ND1 3.07Å; S53-H62 PolarHBondContact OG-ND1 3.48Å; S53-M148 PolarHBondContact N-O 3.22Å; S53-V149 VanDerWaalsContact O-CA 3.24Å; S53-V149 WeakPolarHBondContact O-CA 3.2Å; S53-Q150 PolarHBondContact O-N 2.94Å
54L96.7Very high93.4Very high1 Ų141.2 Ų41.21%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-120.7128.2-179.3-54.3168.9000109.8L40 L60 F61 Y63 Q150 I152 V155L40-L54 HydrophobicContact CD1-CD1 3.45Å; L40-L54 VanDerWaalsContact CD1-CD1 3.45Å; L40-L54 HydrophobicContact CD2-CD1 3.5Å; L40-L54 VanDerWaalsContact CD2-CD1 3.5Å; L40-L54 HydrophobicContact CG-CD1 4.11Å; L54-L60 CarbonylContact O-C 3.6Å; L54-L60 WeakPolarHBondContact O-CA 3.22Å; L54-F61 HydrophobicContact CB-CB 4.17Å; L54-F61 PolarHBondContact N-O 3.41Å; L54-F61 PolarHBondContact O-N 2.91Å; L54-Y63 HydrophobicContact CD1-CD1 4.31Å; L54-Y63 HydrophobicContact CD1-CE1 4.3Å; L54-Q150 CarbonylContact C-O 3.58Å; L54-Q150 WeakPolarHBondContact CA-O 3.11Å; L54-Q150 HydrophobicContact CD2-CB 3.86Å; L54-I152 HydrophobicContact CB-CB 4.23Å; L54-V155 HydrophobicContact CD2-CG2 3.72Å
55I96.3Very high93.7Very high74 Ų7441.8 Ų41.838%0.37926%0.258SS..EExtended strand (participates in β ladder)trans-76.4123.3175.8-58.3166.3000108.2L60 V149 Q150 N151 I152I55-L60 HydrophobicContact CB-CD2 4.19Å; I55-L60 HydrophobicContact CG1-CD2 3.65Å; I55-V149 HydrophobicContact CD1-CG1 3.92Å; I55-V149 HydrophobicContact CG1-CG1 3.91Å; I55-Q150 PolarHBondContact N-O 3.48Å; I55-N151 PolarHBondContact O-OD1 2.86Å; I55-I152 WeakPolarHBondContact O-CB 3.39Å; I55-I152 VanDerWaalsContact O-CG2 3.27Å; I55-I152 WeakPolarHBondContact O-CG2 3.48Å; I55-I152 PolarHBondContact O-N 2.87Å
56A93.3Very high94.1Very high2 Ų240.9 Ų40.92%0.01725%0.25CS..EExtended strand (participates in β ladder)trans-131.984179.400000109.1Y33 Y59 F61 I152Y33-A56 HydrophobicContact CD1-CB 4.35Å; Y33-A56 HydrophobicContact CE1-CB 4.09Å; A56-Y59 CarbonylContact C-O 3.53Å; A56-Y59 PolarHBondContact N-O 3.33Å; A56-Y59 PolarHBondContact O-N 2.95Å; A56-Y59 VanDerWaalsContact O-N 3.13Å; A56-F61 HydrophobicContact CB-CD2 3.62Å; A56-F61 HydrophobicContact CB-CE2 3.63Å; A56-I152 HydrophobicContact CB-CB 4.3Å; A56-I152 HydrophobicContact CB-CD1 4.32Å; A56-I152 HydrophobicContact CB-CG2 3.81Å
57G89.9Confident94.5Very high64 Ų6440.9 Ų40.966%0.6623%0.232SC*.THydrogen-bonded Turntrans61.2-125.8-175.300000111.8Y59G57-Y59 PolarHBondContact O-N 3.5Å
58P91.5Very high94.8Very high78 Ų7836.5 Ų36.551%0.50621%0.212SC..THydrogen-bonded Turntrans-77.9-5.3178.932.4-33000113.7S77P58-S77 WeakPolarHBondContact O-CB 3.47Å; P58-S77 PolarHBondContact O-N 3.01Å; P58-S77 PolarHBondContact O-OG 2.94Å
59Y94.6Very high95Very high29 Ų2935.1 Ų35.111%0.11420%0.202CC..EExtended strand (participates in β ladder)trans-112.6167.5-174.9-56.6-68.2000112.5Y3 L26 Y33 A56 G57 L74 T75Y3-Y59 HydrophobicContact CD2-CD1 4.08Å; Y3-Y59 HydrophobicContact CD2-CE1 4.08Å; Y3-Y59 AromaticContact CE2-CD1 3.74Å; Y3-Y59 HydrophobicContact CE2-CD1 3.74Å; Y3-Y59 AromaticContact CE2-CE1 3.5Å; Y3-Y59 HydrophobicContact CE2-CE1 3.5Å; Y3-Y59 VanDerWaalsContact CE2-CE1 3.5Å; L26-Y59 HydrophobicContact CD1-CD2 4.45Å; L26-Y59 HydrophobicContact CD1-CE2 3.63Å; Y33-Y59 AromaticContact CE1-CD2 3.92Å; Y33-Y59 HydrophobicContact CE1-CD2 3.92Å; Y33-Y59 AromaticContact CE2-CD2 3.75Å; Y33-Y59 HydrophobicContact CE2-CD2 3.75Å; Y33-Y59 AromaticContact CE2-CE2 3.75Å; Y33-Y59 HydrophobicContact CE2-CE2 3.75Å; Y33-Y59 AromaticContact CZ-CD2 3.41Å; Y33-Y59 VanDerWaalsContact CZ-CD2 3.41Å; Y33-Y59 AromaticContact CZ-CE2 3.79Å; Y33-Y59 WeakPolarHBondContact OH-CD2 3.47Å; A56-Y59 CarbonylContact C-O 3.53Å; A56-Y59 PolarHBondContact N-O 3.33Å; A56-Y59 PolarHBondContact O-N 2.95Å; A56-Y59 VanDerWaalsContact O-N 3.13Å; G57-Y59 PolarHBondContact O-N 3.5Å; Y59-L74 HydrophobicContact CG-CD1 4.32Å; Y59-L74 HydrophobicContact CG-CG 4.44Å; Y59-T75 VanDerWaalsContact CA-O 3.32Å; Y59-T75 WeakPolarHBondContact CA-O 3.42Å; Y59-T75 VanDerWaalsContact CB-O 3.3Å; Y59-T75 WeakPolarHBondContact CB-O 3.36Å
60L95.9Very high95.2Very high20 Ų2032.9 Ų32.911%0.10519%0.187CC..EExtended strand (participates in β ladder)trans-120.8132.2171.8-67.6175.8000109.8L54 I55 L74 T75L54-L60 CarbonylContact O-C 3.6Å; L54-L60 WeakPolarHBondContact O-CA 3.22Å; I55-L60 HydrophobicContact CB-CD2 4.19Å; I55-L60 HydrophobicContact CG1-CD2 3.65Å; L60-L74 CarbonylContact O-C 3.47Å; L60-L74 WeakPolarHBondContact O-CA 3.34Å; L60-T75 PolarHBondContact N-O 3.48Å; L60-T75 PolarHBondContact O-N 3.04Å; L60-T75 PolarHBondContact O-OG1 3.47Å
61F97.2Very high95.4Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-82.9141.2156.4-73.1-76.8000109.7L4 Y33 Q36 A37 S53 L54 A56 I72 I73 L74 I152L4-F61 HydrophobicContact CD2-CE1 4.38Å; Y33-F61 HydrophobicContact CD1-CE2 4.07Å; Y33-F61 HydrophobicContact CD1-CZ 4.11Å; Y33-F61 WeakPolarHBondContact O-CZ 3.16Å; Q36-F61 HydrophobicContact CB-CE2 4.31Å; Q36-F61 HydrophobicContact CB-CZ 4.33Å; A37-F61 HydrophobicContact CB-CE1 3.86Å; A37-F61 HydrophobicContact CB-CZ 4.29Å; S53-F61 CarbonylContact C-O 3.56Å; S53-F61 WeakPolarHBondContact CA-O 3.47Å; L54-F61 HydrophobicContact CB-CB 4.17Å; L54-F61 PolarHBondContact N-O 3.41Å; L54-F61 PolarHBondContact O-N 2.91Å; A56-F61 HydrophobicContact CB-CD2 3.62Å; A56-F61 HydrophobicContact CB-CE2 3.63Å; F61-I72 HydrophobicContact CD1-CG2 3.59Å; F61-I72 HydrophobicContact CE1-CG2 4.21Å; F61-I72 HydrophobicContact CG-CG2 4.48Å; F61-I73 CarbonylContact C-O 3.53Å; F61-I73 WeakPolarHBondContact CA-O 3.47Å; F61-I73 WeakPolarHBondContact CD1-O 3.17Å; F61-L74 HydrophobicContact CD1-CB 4.19Å; F61-L74 HydrophobicContact CD1-CD1 3.93Å; F61-L74 HydrophobicContact CD2-CD1 4.05Å; F61-L74 HydrophobicContact CE1-CB 3.97Å; F61-L74 HydrophobicContact CE1-CD1 3.71Å; F61-L74 HydrophobicContact CE1-CG 4.38Å; F61-L74 HydrophobicContact CE2-CD1 3.85Å; F61-L74 HydrophobicContact CG-CD1 4.12Å; F61-L74 HydrophobicContact CZ-CD1 3.69Å; F61-I152 HydrophobicContact CD2-CD1 3.51Å; F61-I152 HydrophobicContact CE2-CD1 3.42Å; F61-I152 VanDerWaalsContact CE2-CD1 3.42Å; F61-I152 HydrophobicContact CZ-CD1 4.46Å
62H97.2Very high95.5Very high0 Ų025.7 Ų25.70%015%0.151CC..EExtended strand (participates in β ladder)trans-124.3135.4163.3-52.5-73000107.8S53 I72 I73 T75 A84 F85 L88S53-H62 WeakPolarHBondContact CB-ND1 3.07Å; S53-H62 PolarHBondContact OG-ND1 3.48Å; H62-I72 CarbonylContact O-C 3.52Å; H62-I72 WeakPolarHBondContact O-CA 3.48Å; H62-I73 HydrophobicContact CB-CD1 4.19Å; H62-I73 HydrophobicContact CB-CG1 3.82Å; H62-I73 PolarHBondContact N-O 3.21Å; H62-I73 PolarHBondContact O-N 3.05Å; H62-T75 PolarHBondContact CD2-OG1 3.19Å; H62-T75 PolarHBondContact NE2-OG1 3.43Å; H62-T75 VanDerWaalsContact NE2-OG1 3.08Å; H62-A84 HydrophobicContact CB-CB 4.3Å; H62-A84 VanDerWaalsContact CD2-CB 3.48Å; H62-A84 WeakPolarHBondContact CD2-CB 3.31Å; H62-F85 HydrophobicContact CB-CE2 4.37Å; H62-F85 HydrophobicContact CB-CZ 4.07Å; H62-L88 HydrophobicContact CB-CD1 3.95Å
63Y97.3Very high95.6Very high10 Ų1025.7 Ų25.74%0.03915%0.151CC..EExtended strand (participates in β ladder)trans-132.3149.3175.480.8-105.6000113L40 M44 P49 R51 C52 L54 L65 Y71 F85L40-Y63 HydrophobicContact CD2-CD1 3.99Å; M44-Y63 HydrophobicContact CE-CD1 3.96Å; M44-Y63 HydrophobicContact CE-CD2 3.7Å; M44-Y63 HydrophobicContact CE-CE1 4.01Å; M44-Y63 HydrophobicContact CE-CE2 3.83Å; M44-Y63 HydrophobicContact CE-CG 3.81Å; P49-Y63 WeakPolarHBondContact O-CE2 3.47Å; P49-Y63 PolarHBondContact O-OH 3.33Å; R51-Y63 WeakPolarHBondContact CA-O 3.43Å; C52-Y63 HydrophobicContact CB-CD1 4.11Å; C52-Y63 HydrophobicContact CB-CE1 3.39Å; C52-Y63 HydrophobicContact CB-CE2 4.36Å; C52-Y63 VanDerWaalsContact CB-CZ 3.49Å; C52-Y63 WeakPolarHBondContact CB-OH 3.11Å; C52-Y63 PolarHBondContact N-O 2.87Å; C52-Y63 PolarHBondContact O-N 3.16Å; L54-Y63 HydrophobicContact CD1-CD1 4.31Å; L54-Y63 HydrophobicContact CD1-CE1 4.3Å; Y63-L65 HydrophobicContact CD2-CB 4.42Å; Y63-L65 HydrophobicContact CE2-CB 4.25Å; Y63-Y71 CarbonylContact C-O 3.59Å; Y63-Y71 WeakPolarHBondContact CA-O 3.4Å; Y63-F85 WeakPolarHBondContact O-CE1 3.39Å
64L96.2Very high95.5Very high5 Ų525.7 Ų25.73%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-121126.4170.1175.167.3000107.9S50 R51 Y71 L88 E89 Q92S50-L64 CarbonylContact O-C 3.37Å; S50-L64 WeakPolarHBondContact O-CA 3.26Å; R51-L64 HydrophobicContact CG-CD1 3.55Å; L64-Y71 PolarHBondContact N-O 2.92Å; L64-Y71 WeakPolarHBondContact O-CD2 3.25Å; L64-Y71 PolarHBondContact O-N 3.21Å; L64-L88 HydrophobicContact CB-CB 4.1Å; L64-L88 HydrophobicContact CB-CD1 4.26Å; L64-L88 HydrophobicContact CD2-CB 4.34Å; L64-E89 HydrophobicContact CD2-CG 4.04Å; L64-Q92 HydrophobicContact CD2-CB 3.78Å; L64-Q92 HydrophobicContact CD2-CG 4Å
65L95.7Very high95.4Very high32 Ų3225.6 Ų25.617%0.16815%0.15CC..EExtended strand (participates in β ladder)trans-109.2118.6175.5171.562.7000108.4V10 M44 S50 Y63V10-L65 HydrophobicContact CG2-CD1 3.59Å; M44-L65 HydrophobicContact SD-CD1 4.49Å; S50-L65 PolarHBondContact O-N 2.84Å; Y63-L65 HydrophobicContact CD2-CB 4.42Å; Y63-L65 HydrophobicContact CE2-CB 4.25Å
66D95.1Very high95.2Very high42 Ų4224.2 Ų24.223%0.22514%0.144CC..EExtended strand (participates in β ladder)trans-143.8132.9177.7-176.944.8000110.5G68 V69 Q92D66-G68 PolarHBondContact O-N 3.13Å; D66-G68 VanDerWaalsContact O-N 3.07Å; D66-V69 PolarHBondContact N-O 2.93Å; D66-V69 PolarHBondContact O-N 3.23Å; D66-V69 VanDerWaalsContact O-O 3.09Å; D66-Q92 HydrophobicContact CB-CG 4.16Å; D66-Q92 PolarHBondContact OD2-NE2 2.72Å
67R93.9Very high95.2Very high145 Ų14527.5 Ų27.555%0.54717%0.166SC..THydrogen-bonded Turntrans48.139.4174.4-71.1173.4-94.1-134.1-9.5114.9V69 Y96R67-V69 VanDerWaalsContact C-N 3.27Å; R67-V69 PolarHBondContact O-N 2.85Å; R67-Y96 HydrophobicContact CB-CE2 3.97Å
68G93.2Very high95.3Very high35 Ų3533.3 Ų33.336%0.36118%0.176SC..THydrogen-bonded Turntrans76.110.8179.100000114.7V10 D66V10-G68 PolarHBondContact N-O 3.23Å; D66-G68 PolarHBondContact O-N 3.13Å; D66-G68 VanDerWaalsContact O-N 3.07Å
69V96.5Very high95.2Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-115132.6173.8-174.40000109I7 A8 L16 D66 R67 Y71 F95 I103I7-V69 HydrophobicContact CG2-CG1 3.62Å; A8-V69 WeakPolarHBondContact O-CA 3.23Å; L16-V69 HydrophobicContact CD1-CG1 4.17Å; D66-V69 PolarHBondContact N-O 2.93Å; D66-V69 PolarHBondContact O-N 3.23Å; D66-V69 VanDerWaalsContact O-O 3.09Å; R67-V69 VanDerWaalsContact C-N 3.27Å; R67-V69 PolarHBondContact O-N 2.85Å; V69-Y71 HydrophobicContact CB-CE2 3.91Å; V69-Y71 HydrophobicContact CG1-CD2 4.41Å; V69-Y71 HydrophobicContact CG1-CE1 3.94Å; V69-Y71 HydrophobicContact CG1-CE2 3.76Å; V69-F95 HydrophobicContact CG1-CE1 4.48Å; V69-I103 HydrophobicContact CG2-CD1 4.24Å; V69-I103 HydrophobicContact CG2-CG2 3.63Å
70C97.3Very high95Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-104.4129.1174.7-171.80000110I7 A8 V10 V41 M44 I72I7-C70 WeakPolarHBondContact CA-O 3.34Å; A8-C70 PolarHBondContact N-O 3.43Å; A8-C70 PolarHBondContact O-N 2.94Å; V10-C70 HydrophobicContact CG2-CB 3.8Å; V41-C70 HydrophobicContact CG2-CB 4.24Å; M44-C70 HydrophobicContact CE-CB 4.35Å; M44-C70 WeakPolarHBondContact CE-SG 3.39Å; M44-C70 HydrophobicContact SD-CB 3.92Å; C70-I72 WeakPolarHBondContact SG-CG1 3.41Å
71Y97.8Very high94.8Very high1 Ų134.9 Ų34.90%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-111.1115.5175-52.7-91.4000107.2I7 Y63 L64 V69 L88 I91 Q92 F95I7-Y71 HydrophobicContact CB-CD1 4.37Å; I7-Y71 HydrophobicContact CD1-CD1 4.02Å; I7-Y71 HydrophobicContact CD1-CE1 4.18Å; I7-Y71 HydrophobicContact CG1-CD1 3.91Å; I7-Y71 HydrophobicContact CG1-CE1 4.4Å; I7-Y71 HydrophobicContact CG2-CD1 3.77Å; I7-Y71 HydrophobicContact CG2-CE1 3.64Å; Y63-Y71 CarbonylContact C-O 3.59Å; Y63-Y71 WeakPolarHBondContact CA-O 3.4Å; L64-Y71 PolarHBondContact N-O 2.92Å; L64-Y71 WeakPolarHBondContact O-CD2 3.25Å; L64-Y71 PolarHBondContact O-N 3.21Å; V69-Y71 HydrophobicContact CB-CE2 3.91Å; V69-Y71 HydrophobicContact CG1-CD2 4.41Å; V69-Y71 HydrophobicContact CG1-CE1 3.94Å; V69-Y71 HydrophobicContact CG1-CE2 3.76Å; Y71-L88 WeakPolarHBondContact O-CD2 3.42Å; Y71-I91 HydrophobicContact CD1-CG2 3.98Å; Y71-Q92 HydrophobicContact CD1-CB 4.2Å; Y71-Q92 HydrophobicContact CD2-CB 3.83Å; Y71-Q92 HydrophobicContact CD2-CG 3.9Å; Y71-Q92 HydrophobicContact CE1-CB 4.02Å; Y71-Q92 HydrophobicContact CE1-CG 4.4Å; Y71-Q92 HydrophobicContact CE2-CB 3.65Å; Y71-Q92 HydrophobicContact CE2-CG 3.33Å; Y71-Q92 HydrophobicContact CG-CB 4.12Å; Y71-F95 HydrophobicContact CE1-CB 3.99Å; Y71-F95 AromaticContact CE1-CD1 3.89Å; Y71-F95 HydrophobicContact CE1-CD1 3.89Å; Y71-F95 HydrophobicContact CE1-CG 4.14Å
72I97.4Very high94.4Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-122138.4-174.7-59.4163000109.2T5 L6 A37 L40 V41 F61 H62 C70T5-I72 CarbonylContact C-O 3.54Å; T5-I72 WeakPolarHBondContact CA-O 3.37Å; L6-I72 HydrophobicContact CB-CB 4.46Å; L6-I72 HydrophobicContact CD2-CD1 4.48Å; L6-I72 PolarHBondContact N-O 2.82Å; L6-I72 PolarHBondContact O-N 3.27Å; A37-I72 HydrophobicContact CB-CG2 4.34Å; L40-I72 HydrophobicContact CD2-CD1 4.11Å; V41-I72 HydrophobicContact CG2-CD1 3.36Å; F61-I72 HydrophobicContact CD1-CG2 3.59Å; F61-I72 HydrophobicContact CE1-CG2 4.21Å; F61-I72 HydrophobicContact CG-CG2 4.48Å; H62-I72 CarbonylContact O-C 3.52Å; H62-I72 WeakPolarHBondContact O-CA 3.48Å; C70-I72 WeakPolarHBondContact SG-CG1 3.41Å
73I97Very high94.1Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-125.8150.416754.7170.8000111.8I2 L4 T5 F61 H62 T75 A84 F87 L88I2-I73 HydrophobicContact CG2-CB 4.16Å; I2-I73 HydrophobicContact CG2-CG2 4.1Å; L4-I73 CarbonylContact O-C 3.58Å; L4-I73 WeakPolarHBondContact O-CA 3.37Å; T5-I73 HydrophobicContact CG2-CG2 4.08Å; F61-I73 CarbonylContact C-O 3.53Å; F61-I73 WeakPolarHBondContact CA-O 3.47Å; F61-I73 WeakPolarHBondContact CD1-O 3.17Å; H62-I73 HydrophobicContact CB-CD1 4.19Å; H62-I73 HydrophobicContact CB-CG1 3.82Å; H62-I73 PolarHBondContact N-O 3.21Å; H62-I73 PolarHBondContact O-N 3.05Å; I73-T75 HydrophobicContact CD1-CG2 3.76Å; I73-T75 HydrophobicContact CG1-CG2 4.19Å; I73-A84 HydrophobicContact CD1-CB 3.62Å; I73-F87 HydrophobicContact CD1-CD1 4.21Å; I73-F87 HydrophobicContact CG2-CD1 3.78Å; I73-F87 HydrophobicContact CG2-CE1 3.4Å; I73-F87 VanDerWaalsContact CG2-CE1 3.4Å; I73-L88 HydrophobicContact CB-CD2 4.5Å; I73-L88 HydrophobicContact CD1-CD1 4.4Å; I73-L88 HydrophobicContact CD1-CG 4.18Å; I73-L88 HydrophobicContact CG1-CD1 4.2Å; I73-L88 HydrophobicContact CG1-CD2 4.1Å; I73-L88 HydrophobicContact CG1-CG 4.16Å; I73-L88 HydrophobicContact CG2-CD2 3.86Å
74L95.8Very high93.9Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-106.2131.4165.8-174.873000109.1I2 Y3 L4 L26 I30 Y33 Y59 L60 F61I2-L74 CarbonylContact C-O 3.57Å; Y3-L74 PolarHBondContact N-O 3.32Å; L4-L74 HydrophobicContact CB-CB 3.8Å; L4-L74 PolarHBondContact O-N 3.21Å; L26-L74 HydrophobicContact CD2-CD2 4.36Å; I30-L74 HydrophobicContact CD1-CD2 4.32Å; Y33-L74 HydrophobicContact CD1-CD1 4.05Å; Y33-L74 HydrophobicContact CD1-CD2 4.23Å; Y33-L74 HydrophobicContact CD2-CD2 4.02Å; Y33-L74 HydrophobicContact CG-CD1 4.37Å; Y33-L74 HydrophobicContact CG-CD2 3.73Å; Y59-L74 HydrophobicContact CG-CD1 4.32Å; Y59-L74 HydrophobicContact CG-CG 4.44Å; L60-L74 CarbonylContact O-C 3.47Å; L60-L74 WeakPolarHBondContact O-CA 3.34Å; F61-L74 HydrophobicContact CD1-CB 4.19Å; F61-L74 HydrophobicContact CD1-CD1 3.93Å; F61-L74 HydrophobicContact CD2-CD1 4.05Å; F61-L74 HydrophobicContact CE1-CB 3.97Å; F61-L74 HydrophobicContact CE1-CD1 3.71Å; F61-L74 HydrophobicContact CE1-CG 4.38Å; F61-L74 HydrophobicContact CE2-CD1 3.85Å; F61-L74 HydrophobicContact CG-CD1 4.12Å; F61-L74 HydrophobicContact CZ-CD1 3.69Å
75T94.7Very high93.8Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-135.9162.5-178.364.50000111.8M1 I2 Y59 L60 H62 I73 F79M1-T75 WeakPolarHBondContact O-CA 3.46Å; M1-T75 WeakPolarHBondContact O-CB 3.26Å; I2-T75 HydrophobicContact CB-CG2 4.48Å; I2-T75 HydrophobicContact CG1-CG2 3.95Å; Y59-T75 VanDerWaalsContact CA-O 3.32Å; Y59-T75 WeakPolarHBondContact CA-O 3.42Å; Y59-T75 VanDerWaalsContact CB-O 3.3Å; Y59-T75 WeakPolarHBondContact CB-O 3.36Å; L60-T75 PolarHBondContact N-O 3.48Å; L60-T75 PolarHBondContact O-N 3.04Å; L60-T75 PolarHBondContact O-OG1 3.47Å; H62-T75 PolarHBondContact CD2-OG1 3.19Å; H62-T75 PolarHBondContact NE2-OG1 3.43Å; H62-T75 VanDerWaalsContact NE2-OG1 3.08Å; I73-T75 HydrophobicContact CD1-CG2 3.76Å; I73-T75 HydrophobicContact CG1-CG2 4.19Å; T75-F79 HydrophobicContact CG2-CB 4.44Å; T75-F79 HydrophobicContact CG2-CD1 3.79Å; T75-F79 HydrophobicContact CG2-CE1 4.32Å; T75-F79 HydrophobicContact CG2-CG 4.22Å
76D92.6Very high93.6Very high45 Ų4537.8 Ų37.824%0.24120%0.196CC..EExtended strand (participates in β ladder)trans-57.7145.6162.1-66.7-56.9000110.6M1 Y3 Q78 F79M1-D76 PolarHBondContact N-OD2 3.02Å; M1-D76 PolarHBondContact O-N 3.4Å; Y3-D76 HydrophobicContact CE2-CB 4.46Å; Y3-D76 WeakPolarHBondContact CE2-OD1 3.21Å; Y3-D76 PolarHBondContact OH-OD1 3.39Å; Y3-D76 PolarHBondContact OH-OD2 3.16Å; D76-Q78 PolarHBondContact O-N 3.4Å; D76-Q78 VanDerWaalsContact O-N 3.09Å; D76-F79 WeakPolarHBondContact O-CB 3.36Å; D76-F79 PolarHBondContact O-N 2.87Å
77S92Very high93.5Very high70 Ų7035.8 Ų35.849%0.4919%0.185SC..THydrogen-bonded Turntrans-55.6-27.3173.850.60000114.4P58P58-S77 WeakPolarHBondContact O-CB 3.47Å; P58-S77 PolarHBondContact O-N 3.01Å; P58-S77 PolarHBondContact O-OG 2.94Å
78Q91.5Very high93.5Very high187 Ų18729 Ų2987%0.87416%0.16SC*.THydrogen-bonded Turntrans-83.8-8.1177-61.2-177.3-6.100113.7D76 S80D76-Q78 PolarHBondContact O-N 3.4Å; D76-Q78 VanDerWaalsContact O-N 3.09Å; Q78-S80 PolarHBondContact O-N 2.93Å
79F90.9Very high93.6Very high23 Ų2329.2 Ų29.210%0.10115%0.151CC..SBendtrans-66.8133.7179.6-167.9-99.9000110.3I2 T75 D76 R81 K83 A84I2-F79 HydrophobicContact CD1-CE1 4.23Å; I2-F79 HydrophobicContact CD1-CZ 3.93Å; I2-F79 HydrophobicContact CG1-CE1 4.03Å; I2-F79 HydrophobicContact CG1-CE2 4.27Å; I2-F79 HydrophobicContact CG1-CZ 3.81Å; T75-F79 HydrophobicContact CG2-CB 4.44Å; T75-F79 HydrophobicContact CG2-CD1 3.79Å; T75-F79 HydrophobicContact CG2-CE1 4.32Å; T75-F79 HydrophobicContact CG2-CG 4.22Å; D76-F79 WeakPolarHBondContact O-CB 3.36Å; D76-F79 PolarHBondContact O-N 2.87Å; F79-R81 PolarHBondContact O-N 2.98Å; F79-R81 VanDerWaalsContact O-N 3.12Å; F79-K83 HydrophobicContact CE1-CB 3.9Å; F79-K83 HydrophobicContact CZ-CB 3.95Å; F79-A84 HydrophobicContact CD1-CB 4.01Å; F79-A84 HydrophobicContact CE1-CB 3.96Å
80S90.3Very high93.4Very high50 Ų5030.3 Ų30.335%0.3516%0.16SC..  trans-61.4119.7-177.1175.10000110.8Q78 T82 K83 A84Q78-S80 PolarHBondContact O-N 2.93Å; S80-T82 PolarHBondContact O-N 3.32Å; S80-T82 WeakPolarHBondContact OG-CB 3.42Å; S80-T82 PolarHBondContact OG-N 2.87Å; S80-K83 PolarHBondContact O-N 3.4Å; S80-K83 PolarHBondContact OG-N 3.21Å; S80-A84 PolarHBondContact O-N 3.37Å
81R90.8Very high93.3Very high86 Ų8630.3 Ų30.333%0.32516%0.16SC..Hα-helixtrans-54.1-37.8173.7-66-167.9-66.7165.1-1.4111.7F79 A84 F85 V144F79-R81 PolarHBondContact O-N 2.98Å; F79-R81 VanDerWaalsContact O-N 3.12Å; R81-A84 WeakPolarHBondContact O-CB 3.41Å; R81-A84 PolarHBondContact O-N 3.11Å; R81-F85 VanDerWaalsContact O-CD2 3.26Å; R81-F85 WeakPolarHBondContact O-CD2 3.49Å; R81-F85 PolarHBondContact O-N 3.41Å; R81-V144 HydrophobicContact CB-CG1 3.68Å
82T89Confident93.3Very high54 Ų5431.2 Ų31.233%0.33117%0.165SC..Hα-helixtrans-56.9-51.3174.9-57.50000110.9S80 A84 A86 L141S80-T82 PolarHBondContact O-N 3.32Å; S80-T82 WeakPolarHBondContact OG-CB 3.42Å; S80-T82 PolarHBondContact OG-N 2.87Å; T82-A84 VanDerWaalsContact C-N 3.33Å; T82-A84 PolarHBondContact O-N 3.25Å; T82-A86 WeakPolarHBondContact O-CB 3.28Å; T82-A86 PolarHBondContact O-N 3.15Å; T82-L141 HydrophobicContact CG2-CB 3.84Å; T82-L141 HydrophobicContact CG2-CD1 3.26Å; T82-L141 HydrophobicContact CG2-CG 4.11Å; T82-L141 WeakPolarHBondContact O-CD1 3.43Å
83K90.4Very high93.2Very high47 Ų4735.3 Ų35.320%0.20419%0.19CC..Hα-helixtrans-63.9-37.5176.1-66.2-174.8171.9-164.10112.5F79 S80 A86 F87F79-K83 HydrophobicContact CE1-CB 3.9Å; F79-K83 HydrophobicContact CZ-CB 3.95Å; S80-K83 PolarHBondContact O-N 3.4Å; S80-K83 PolarHBondContact OG-N 3.21Å; K83-A86 PolarHBondContact O-N 2.86Å; K83-F87 WeakPolarHBondContact O-CB 3.22Å; K83-F87 PolarHBondContact O-N 3.3Å
84A93.7Very high93.1Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-61.3-50.5178.400000112.2H62 I73 F79 S80 R81 T82 F87 L88H62-A84 HydrophobicContact CB-CB 4.3Å; H62-A84 VanDerWaalsContact CD2-CB 3.48Å; H62-A84 WeakPolarHBondContact CD2-CB 3.31Å; I73-A84 HydrophobicContact CD1-CB 3.62Å; F79-A84 HydrophobicContact CD1-CB 4.01Å; F79-A84 HydrophobicContact CE1-CB 3.96Å; S80-A84 PolarHBondContact O-N 3.37Å; R81-A84 WeakPolarHBondContact O-CB 3.41Å; R81-A84 PolarHBondContact O-N 3.11Å; T82-A84 VanDerWaalsContact C-N 3.33Å; T82-A84 PolarHBondContact O-N 3.25Å; A84-F87 WeakPolarHBondContact O-CB 3.44Å; A84-F87 PolarHBondContact O-N 3.36Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 3.28Å
85F93.6Very high93.2Very high1 Ų140.4 Ų40.40%0.00421%0.214CC..Hα-helixtrans-69.9-35.2179.2-77.7-71.9000112.6R51 H62 Y63 R81 F87 L88 E89 L141 V144 I147R51-F85 HydrophobicContact CB-CD1 4.42Å; R51-F85 HydrophobicContact CB-CE1 3.82Å; R51-F85 HydrophobicContact CB-CZ 4.4Å; R51-F85 HydrophobicContact CG-CD1 4.19Å; R51-F85 HydrophobicContact CG-CE1 4.02Å; H62-F85 HydrophobicContact CB-CE2 4.37Å; H62-F85 HydrophobicContact CB-CZ 4.07Å; Y63-F85 WeakPolarHBondContact O-CE1 3.39Å; R81-F85 VanDerWaalsContact O-CD2 3.26Å; R81-F85 WeakPolarHBondContact O-CD2 3.49Å; R81-F85 PolarHBondContact O-N 3.41Å; F85-F87 VanDerWaalsContact C-N 3.32Å; F85-F87 PolarHBondContact O-N 2.82Å; F85-L88 HydrophobicContact CD1-CD1 3.99Å; F85-L88 HydrophobicContact CE1-CD1 4.08Å; F85-L88 PolarHBondContact O-N 3.26Å; F85-E89 WeakPolarHBondContact O-CG 3.46Å; F85-E89 PolarHBondContact O-N 3.33Å; F85-L141 HydrophobicContact CB-CD2 4.4Å; F85-V144 HydrophobicContact CB-CG2 4.47Å; F85-V144 HydrophobicContact CD2-CG1 4.19Å; F85-I147 HydrophobicContact CD1-CD1 3.89Å; F85-I147 HydrophobicContact CD2-CD1 3.38Å; F85-I147 HydrophobicContact CE1-CD1 3.88Å; F85-I147 HydrophobicContact CE1-CG2 4.44Å; F85-I147 HydrophobicContact CE2-CB 4.38Å; F85-I147 HydrophobicContact CE2-CD1 3.39Å; F85-I147 HydrophobicContact CE2-CG1 4.46Å; F85-I147 HydrophobicContact CE2-CG2 3.84Å; F85-I147 HydrophobicContact CG-CD1 3.67Å; F85-I147 HydrophobicContact CZ-CD1 3.67Å; F85-I147 HydrophobicContact CZ-CG2 3.62Å
86A91.1Very high93.3Very high7 Ų743.6 Ų43.66%0.05823%0.226CC..Hα-helixtrans-61.7-41.917300000112.3T82 K83 E89 A90 Y126 L137 L141T82-A86 WeakPolarHBondContact O-CB 3.28Å; T82-A86 PolarHBondContact O-N 3.15Å; K83-A86 PolarHBondContact O-N 2.86Å; A86-E89 PolarHBondContact O-N 3.48Å; A86-A90 PolarHBondContact O-N 3.16Å; A86-Y126 HydrophobicContact CB-CD1 3.98Å; A86-Y126 HydrophobicContact CB-CE1 3.48Å; A86-Y126 VanDerWaalsContact CB-CE1 3.48Å; A86-L137 HydrophobicContact CB-CD2 3.41Å; A86-L137 VanDerWaalsContact CB-CD2 3.41Å; A86-L141 HydrophobicContact CB-CD1 3.66Å; A86-L141 HydrophobicContact CB-CD2 4.16Å; A86-L141 HydrophobicContact CB-CG 4.46Å
87F93.4Very high93.4Very high0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-60.4-48.5173169.9-91.3000111.1I2 T5 I73 K83 A84 F85 E89 A90 I91 I119 T122 Q123 Y126I2-F87 HydrophobicContact CD1-CB 4.4Å; I2-F87 HydrophobicContact CD1-CD1 4.1Å; I2-F87 HydrophobicContact CD1-CD2 4.02Å; I2-F87 HydrophobicContact CD1-CE1 4.43Å; I2-F87 HydrophobicContact CD1-CE2 4.35Å; I2-F87 HydrophobicContact CD1-CG 3.89Å; T5-F87 HydrophobicContact CG2-CE1 4.14Å; T5-F87 HydrophobicContact CG2-CZ 4.32Å; I73-F87 HydrophobicContact CD1-CD1 4.21Å; I73-F87 HydrophobicContact CG2-CD1 3.78Å; I73-F87 HydrophobicContact CG2-CE1 3.4Å; I73-F87 VanDerWaalsContact CG2-CE1 3.4Å; K83-F87 WeakPolarHBondContact O-CB 3.22Å; K83-F87 PolarHBondContact O-N 3.3Å; A84-F87 WeakPolarHBondContact O-CB 3.44Å; A84-F87 PolarHBondContact O-N 3.36Å; F85-F87 VanDerWaalsContact C-N 3.32Å; F85-F87 PolarHBondContact O-N 2.82Å; F87-E89 VanDerWaalsContact C-N 3.33Å; F87-E89 PolarHBondContact O-N 2.91Å; F87-A90 PolarHBondContact O-N 3.23Å; F87-I91 HydrophobicContact CD1-CG1 4.24Å; F87-I91 HydrophobicContact CD2-CG1 4.32Å; F87-I91 HydrophobicContact CE1-CG1 3.74Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CE2-CG1 3.84Å; F87-I91 HydrophobicContact CZ-CD1 4.03Å; F87-I91 HydrophobicContact CZ-CG1 3.55Å; F87-I91 WeakPolarHBondContact O-CG1 3.18Å; F87-I91 PolarHBondContact O-N 3.27Å; F87-I119 HydrophobicContact CZ-CG2 4.2Å; F87-T122 HydrophobicContact CD2-CG2 3.71Å; F87-T122 HydrophobicContact CE2-CG2 3.85Å; F87-Q123 HydrophobicContact CE2-CB 3.89Å; F87-Y126 HydrophobicContact CB-CD1 4.44Å; F87-Y126 HydrophobicContact CB-CD2 4.12Å; F87-Y126 HydrophobicContact CB-CG 3.97Å; F87-Y126 HydrophobicContact CD2-CD2 4.02Å; F87-Y126 HydrophobicContact CD2-CG 4.44Å
88L95.6Very high93.6Very high1 Ų145.4 Ų45.41%0.00524%0.239CC..Hα-helixtrans-59.7-40.7179-73.8172.3000112.5H62 L64 Y71 I73 A84 F85 I91 Q92H62-L88 HydrophobicContact CB-CD1 3.95Å; L64-L88 HydrophobicContact CB-CB 4.1Å; L64-L88 HydrophobicContact CB-CD1 4.26Å; L64-L88 HydrophobicContact CD2-CB 4.34Å; Y71-L88 WeakPolarHBondContact O-CD2 3.42Å; I73-L88 HydrophobicContact CB-CD2 4.5Å; I73-L88 HydrophobicContact CD1-CD1 4.4Å; I73-L88 HydrophobicContact CD1-CG 4.18Å; I73-L88 HydrophobicContact CG1-CD1 4.2Å; I73-L88 HydrophobicContact CG1-CD2 4.1Å; I73-L88 HydrophobicContact CG1-CG 4.16Å; I73-L88 HydrophobicContact CG2-CD2 3.86Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 3.28Å; F85-L88 HydrophobicContact CD1-CD1 3.99Å; F85-L88 HydrophobicContact CE1-CD1 4.08Å; F85-L88 PolarHBondContact O-N 3.26Å; L88-I91 PolarHBondContact O-N 2.94Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.26Å; L88-Q92 PolarHBondContact O-N 3.38Å
89E93.4Very high93.8Very high40 Ų4037 Ų3719%0.18720%0.2CC..Hα-helixtrans-67.4-41177.7-74.3176.217700112.5R51 L64 F85 A86 F87 Q92 T93R51-E89 IonicContact CZ-OE1 2.67Å; R51-E89 IonicContact NE-OE1 2.76Å; R51-E89 PolarHBondContact NE-OE1 3.26Å; R51-E89 IonicContact NH2-OE1 2.91Å; R51-E89 PolarHBondContact NH2-OE1 3.1Å; L64-E89 HydrophobicContact CD2-CG 4.04Å; F85-E89 WeakPolarHBondContact O-CG 3.46Å; F85-E89 PolarHBondContact O-N 3.33Å; A86-E89 PolarHBondContact O-N 3.48Å; F87-E89 VanDerWaalsContact C-N 3.33Å; F87-E89 PolarHBondContact O-N 2.91Å; E89-Q92 PolarHBondContact O-N 3.36Å; E89-T93 WeakPolarHBondContact O-CB 3.41Å; E89-T93 PolarHBondContact O-N 3.06Å; E89-T93 PolarHBondContact O-OG1 3.25Å
90A93.4Very high94Very high23 Ų2341.6 Ų41.619%0.1922%0.217CC..Hα-helixtrans-62.2-45.9174.300000111.1A86 F87 T93 E94 T122 Y126A86-A90 PolarHBondContact O-N 3.16Å; F87-A90 PolarHBondContact O-N 3.23Å; A90-T93 PolarHBondContact O-N 3.41Å; A90-E94 WeakPolarHBondContact O-CB 3.35Å; A90-E94 WeakPolarHBondContact O-CG 3.35Å; A90-E94 PolarHBondContact O-N 2.66Å; A90-E94 VanDerWaalsContact O-N 3.08Å; A90-T122 HydrophobicContact CB-CG2 3.94Å; A90-Y126 HydrophobicContact CB-CE2 3.99Å
91I95.9Very high94.2Very high0 Ų045.7 Ų45.70%023%0.231CC..Hα-helixtrans-62.8-45.1176.4-69.8-56.1000111.7I7 Y71 F87 L88 T93 F95 F115 I119 T122I7-I91 HydrophobicContact CD1-CG2 3.7Å; I7-I91 HydrophobicContact CG1-CG2 4.41Å; Y71-I91 HydrophobicContact CD1-CG2 3.98Å; F87-I91 HydrophobicContact CD1-CG1 4.24Å; F87-I91 HydrophobicContact CD2-CG1 4.32Å; F87-I91 HydrophobicContact CE1-CG1 3.74Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CE2-CG1 3.84Å; F87-I91 HydrophobicContact CZ-CD1 4.03Å; F87-I91 HydrophobicContact CZ-CG1 3.55Å; F87-I91 WeakPolarHBondContact O-CG1 3.18Å; F87-I91 PolarHBondContact O-N 3.27Å; L88-I91 PolarHBondContact O-N 2.94Å; I91-T93 VanDerWaalsContact C-N 3.35Å; I91-T93 PolarHBondContact O-N 3.08Å; I91-F95 WeakPolarHBondContact O-CB 3.2Å; I91-F95 PolarHBondContact O-N 2.97Å; I91-F115 HydrophobicContact CD1-CE1 4.28Å; I91-F115 HydrophobicContact CG2-CE1 4.01Å; I91-F115 HydrophobicContact CG2-CZ 4.45Å; I91-I119 HydrophobicContact CD1-CB 4.47Å; I91-I119 HydrophobicContact CD1-CG1 4.1Å; I91-T122 HydrophobicContact CD1-CG2 3.92Å; I91-T122 HydrophobicContact CG1-CG2 4.26Å
92Q96.3Very high94.4Very high20 Ų2046.3 Ų46.39%0.09324%0.237CC..Hα-helixtrans-60.9-44.5178.4173.4-81-29.100111.4L64 D66 Y71 L88 E89 Y96L64-Q92 HydrophobicContact CD2-CB 3.78Å; L64-Q92 HydrophobicContact CD2-CG 4Å; D66-Q92 HydrophobicContact CB-CG 4.16Å; D66-Q92 PolarHBondContact OD2-NE2 2.72Å; Y71-Q92 HydrophobicContact CD1-CB 4.2Å; Y71-Q92 HydrophobicContact CD2-CB 3.83Å; Y71-Q92 HydrophobicContact CD2-CG 3.9Å; Y71-Q92 HydrophobicContact CE1-CB 4.02Å; Y71-Q92 HydrophobicContact CE1-CG 4.4Å; Y71-Q92 HydrophobicContact CE2-CB 3.65Å; Y71-Q92 HydrophobicContact CE2-CG 3.33Å; Y71-Q92 HydrophobicContact CG-CB 4.12Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.26Å; L88-Q92 PolarHBondContact O-N 3.38Å; E89-Q92 PolarHBondContact O-N 3.36Å; Q92-Y96 WeakPolarHBondContact O-CB 3.27Å; Q92-Y96 PolarHBondContact O-N 3.36Å
93T95.2Very high94.7Very high88 Ų8843.8 Ų43.854%0.5422%0.222SC..Hα-helixtrans-63-49.2-179.8-61.40000111.3E89 A90 I91 G97E89-T93 WeakPolarHBondContact O-CB 3.41Å; E89-T93 PolarHBondContact O-N 3.06Å; E89-T93 PolarHBondContact O-OG1 3.25Å; A90-T93 PolarHBondContact O-N 3.41Å; I91-T93 VanDerWaalsContact C-N 3.35Å; I91-T93 PolarHBondContact O-N 3.08Å; T93-G97 PolarHBondContact O-N 3.43Å
94E96Very high94.8Very high106 Ų10647 Ų4750%0.49524%0.238SC..Hα-helixtrans-65.6-46.4179.5-71.4-71.6169.200112A90 K98 F115 I118A90-E94 WeakPolarHBondContact O-CB 3.35Å; A90-E94 WeakPolarHBondContact O-CG 3.35Å; A90-E94 PolarHBondContact O-N 2.66Å; A90-E94 VanDerWaalsContact O-N 3.08Å; E94-K98 WeakPolarHBondContact O-CB 3.49Å; E94-K98 PolarHBondContact O-N 3.16Å; E94-F115 HydrophobicContact CB-CE2 4.07Å; E94-F115 HydrophobicContact CB-CZ 4.01Å; E94-I118 HydrophobicContact CB-CG2 4.21Å; E94-I118 HydrophobicContact CG-CG2 4.38Å
95F97.4Very high94.8Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-65.1-49.5-178.1-175.2-95.4000111.6I7 L16 A17 V69 Y71 I91 K98 Y99 I103 F112 F115I7-F95 HydrophobicContact CD1-CB 4.25Å; I7-F95 HydrophobicContact CD1-CD2 3.66Å; I7-F95 HydrophobicContact CD1-CE2 4.18Å; I7-F95 HydrophobicContact CD1-CG 3.91Å; I7-F95 HydrophobicContact CG2-CD1 3.96Å; I7-F95 HydrophobicContact CG2-CD2 4.45Å; I7-F95 HydrophobicContact CG2-CE1 3.78Å; I7-F95 HydrophobicContact CG2-CE2 4.31Å; I7-F95 HydrophobicContact CG2-CG 4.3Å; I7-F95 HydrophobicContact CG2-CZ 3.99Å; L16-F95 HydrophobicContact CB-CZ 3.82Å; L16-F95 HydrophobicContact CD1-CE1 3.86Å; L16-F95 HydrophobicContact CD1-CZ 3.9Å; A17-F95 HydrophobicContact CB-CE2 4.34Å; V69-F95 HydrophobicContact CG1-CE1 4.48Å; Y71-F95 HydrophobicContact CE1-CB 3.99Å; Y71-F95 AromaticContact CE1-CD1 3.89Å; Y71-F95 HydrophobicContact CE1-CD1 3.89Å; Y71-F95 HydrophobicContact CE1-CG 4.14Å; I91-F95 WeakPolarHBondContact O-CB 3.2Å; I91-F95 PolarHBondContact O-N 2.97Å; F95-K98 PolarHBondContact O-N 2.81Å; F95-Y99 AromaticContact CD2-CD2 3.63Å; F95-Y99 HydrophobicContact CD2-CD2 3.63Å; F95-Y99 AromaticContact CD2-CE2 3.94Å; F95-Y99 HydrophobicContact CD2-CE2 3.94Å; F95-Y99 AromaticContact CE2-CD2 3.59Å; F95-Y99 HydrophobicContact CE2-CD2 3.59Å; F95-Y99 AromaticContact CE2-CE2 3.97Å; F95-Y99 HydrophobicContact CE2-CE2 3.97Å; F95-Y99 HydrophobicContact CG-CD2 4.2Å; F95-Y99 HydrophobicContact CZ-CD2 4.12Å; F95-Y99 WeakPolarHBondContact O-CD2 3.42Å; F95-Y99 PolarHBondContact O-N 3.42Å; F95-I103 HydrophobicContact CD1-CD1 4.02Å; F95-I103 HydrophobicContact CE1-CD1 3.6Å; F95-I103 HydrophobicContact CE1-CG1 3.85Å; F95-I103 HydrophobicContact CZ-CG1 4.44Å; F95-F112 HydrophobicContact CE2-CB 3.97Å; F95-F112 AromaticContact CE2-CD2 3.93Å; F95-F112 HydrophobicContact CE2-CD2 3.93Å; F95-F112 HydrophobicContact CE2-CG 4.06Å; F95-F112 AromaticContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CD2 3.61Å; F95-F112 AromaticContact CZ-CE2 3.97Å; F95-F112 HydrophobicContact CZ-CE2 3.97Å; F95-F112 HydrophobicContact CZ-CG 4.16Å; F95-F115 HydrophobicContact CB-CE1 3.99Å; F95-F115 HydrophobicContact CB-CE2 3.96Å; F95-F115 HydrophobicContact CB-CZ 3.59Å; F95-F115 HydrophobicContact CD2-CB 4.5Å; F95-F115 AromaticContact CD2-CD1 3.75Å; F95-F115 HydrophobicContact CD2-CD1 3.75Å; F95-F115 HydrophobicContact CD2-CD2 4.03Å; F95-F115 AromaticContact CD2-CE1 3.91Å; F95-F115 HydrophobicContact CD2-CE1 3.91Å; F95-F115 HydrophobicContact CD2-CE2 4.15Å; F95-F115 AromaticContact CD2-CG 3.82Å; F95-F115 HydrophobicContact CD2-CG 3.82Å; F95-F115 HydrophobicContact CD2-CZ 4.1Å; F95-F115 HydrophobicContact CE2-CG 4.44Å; F95-F115 HydrophobicContact CG-CE1 4.42Å; F95-F115 HydrophobicContact CG-CZ 4.37Å
96Y95.8Very high94.8Very high67 Ų6753.6 Ų53.626%0.26328%0.278SS..Hα-helixtrans-65.9-45.3179.2-167.4-91.4000110.5R67 Q92 K98 Y99 Y100 I103R67-Y96 HydrophobicContact CB-CE2 3.97Å; Q92-Y96 WeakPolarHBondContact O-CB 3.27Å; Q92-Y96 PolarHBondContact O-N 3.36Å; Y96-K98 VanDerWaalsContact C-N 3.26Å; Y96-K98 PolarHBondContact O-N 3.44Å; Y96-Y99 PolarHBondContact O-N 2.81Å; Y96-Y100 HydrophobicContact CE1-CG 4.5Å; Y96-Y100 VanDerWaalsContact O-CB 3.23Å; Y96-Y100 WeakPolarHBondContact O-CB 3.41Å; Y96-Y100 PolarHBondContact O-N 2.99Å; Y96-I103 HydrophobicContact CD2-CD1 4.02Å; Y96-I103 HydrophobicContact CE2-CD1 4.49Å
97G96.2Very high94.9Very high57 Ų5758.1 Ų58.159%0.58831%0.309SS*.Hα-helixtrans-55.5-39.7177.400000113.2T93T93-G97 PolarHBondContact O-N 3.43Å
98K96.1Very high94.8Very high96 Ų9665.7 Ų65.742%0.41734%0.338SS..Hα-helixtrans-80.4-39.3-179.3-168.3175.3174.6-160.80114E94 F95 Y96 D114E94-K98 WeakPolarHBondContact O-CB 3.49Å; E94-K98 PolarHBondContact O-N 3.16Å; F95-K98 PolarHBondContact O-N 2.81Å; Y96-K98 VanDerWaalsContact C-N 3.26Å; Y96-K98 PolarHBondContact O-N 3.44Å; K98-D114 IonicContact NZ-OD2 3.41Å; K98-D114 PolarHBondContact NZ-OD2 3.42Å
99Y96.1Very high94.6Very high11 Ų1168.9 Ų68.94%0.04336%0.358CS..Hα-helixtrans-119.36.2-166.3-55.2-65.6000115.7F95 Y96 Q101 Q102 I103 F112 D114 F115F95-Y99 AromaticContact CD2-CD2 3.63Å; F95-Y99 HydrophobicContact CD2-CD2 3.63Å; F95-Y99 AromaticContact CD2-CE2 3.94Å; F95-Y99 HydrophobicContact CD2-CE2 3.94Å; F95-Y99 AromaticContact CE2-CD2 3.59Å; F95-Y99 HydrophobicContact CE2-CD2 3.59Å; F95-Y99 AromaticContact CE2-CE2 3.97Å; F95-Y99 HydrophobicContact CE2-CE2 3.97Å; F95-Y99 HydrophobicContact CG-CD2 4.2Å; F95-Y99 HydrophobicContact CZ-CD2 4.12Å; F95-Y99 WeakPolarHBondContact O-CD2 3.42Å; F95-Y99 PolarHBondContact O-N 3.42Å; Y96-Y99 PolarHBondContact O-N 2.81Å; Y99-Q101 PolarHBondContact O-N 2.87Å; Y99-Q102 PolarHBondContact O-N 3.16Å; Y99-I103 WeakPolarHBondContact O-CG1 3.45Å; Y99-I103 PolarHBondContact O-N 3.19Å; Y99-I103 VanDerWaalsContact O-N 3.14Å; Y99-F112 AromaticContact CD1-CD1 3.37Å; Y99-F112 HydrophobicContact CD1-CD1 3.37Å; Y99-F112 AromaticContact CD1-CE1 3.59Å; Y99-F112 HydrophobicContact CD1-CE1 3.59Å; Y99-F112 HydrophobicContact CD1-CG 4.32Å; Y99-F112 HydrophobicContact CD2-CB 4.41Å; Y99-F112 HydrophobicContact CD2-CD1 4.01Å; Y99-F112 HydrophobicContact CD2-CG 4.21Å; Y99-F112 AromaticContact CE1-CD1 3.56Å; Y99-F112 HydrophobicContact CE1-CD1 3.56Å; Y99-F112 HydrophobicContact CE1-CE1 4.22Å; Y99-F112 HydrophobicContact CE1-CG 4.4Å; Y99-F112 HydrophobicContact CE2-CB 4.05Å; Y99-F112 HydrophobicContact CE2-CD1 4.19Å; Y99-F112 HydrophobicContact CE2-CG 4.3Å; Y99-F112 AromaticContact CG-CD1 3.59Å; Y99-F112 HydrophobicContact CG-CD1 3.59Å; Y99-F112 AromaticContact CG-CE1 3.75Å; Y99-F112 HydrophobicContact CG-CE1 3.75Å; Y99-F112 HydrophobicContact CG-CG 4.2Å; Y99-F112 HydrophobicContact CG-CZ 4.47Å; Y99-F112 AromaticContact CZ-CD1 3.96Å; Y99-D114 PolarHBondContact OH-OD1 3.47Å; Y99-D114 PolarHBondContact OH-OD2 2.94Å; Y99-F115 HydrophobicContact CD2-CD2 4.45Å; Y99-F115 HydrophobicContact CE2-CB 3.95Å; Y99-F115 AromaticContact CE2-CD2 3.55Å; Y99-F115 HydrophobicContact CE2-CD2 3.55Å; Y99-F115 HydrophobicContact CE2-CE2 4.39Å; Y99-F115 HydrophobicContact CE2-CG 4.01Å
100Y94.3Very high94.5Very high120 Ų12068 Ų6847%0.47135%0.354SS..THydrogen-bonded Turntrans-47.8-38.8-170.976.6-79.9000115.2Y96 Q102Y96-Y100 HydrophobicContact CE1-CG 4.5Å; Y96-Y100 VanDerWaalsContact O-CB 3.23Å; Y96-Y100 WeakPolarHBondContact O-CB 3.41Å; Y96-Y100 PolarHBondContact O-N 2.99Å; Y100-Q102 VanDerWaalsContact C-N 3.35Å; Y100-Q102 PolarHBondContact O-N 3.04Å
101Q94.7Very high94.4Very high136 Ų13668.9 Ų68.964%0.63636%0.361SS*.THydrogen-bonded Turntrans-70.2-29.7-179.2-61.8-177.2-28.800113.4Y99Y99-Q101 PolarHBondContact O-N 2.87Å
102Q95.5Very high94.3Very high98 Ų9869.3 Ų69.346%0.45836%0.363SS..THydrogen-bonded Turntrans-94-22.6-173-65.1163.3-25.200112.1Y99 Y100 Q104 T105 V106 F112Y99-Q102 PolarHBondContact O-N 3.16Å; Y100-Q102 VanDerWaalsContact C-N 3.35Å; Y100-Q102 PolarHBondContact O-N 3.04Å; Q102-Q104 PolarHBondContact O-N 3.47Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q102-T105 PolarHBondContact O-N 2.83Å; Q102-T105 VanDerWaalsContact O-N 3.15Å; Q102-T105 PolarHBondContact O-OG1 3.4Å; Q102-V106 WeakPolarHBondContact O-CB 3.31Å; Q102-V106 PolarHBondContact O-N 2.78Å; Q102-F112 HydrophobicContact CB-CE1 3.91Å; Q102-F112 HydrophobicContact CB-CZ 3.91Å
103I94.5Very high93.9Very high1 Ų171.9 Ų71.91%0.00538%0.377CS..THydrogen-bonded Turntrans-54.1-36.8-177.5-72.3169.3000111.9R9 L16 V69 F95 Y96 Y99R9-I103 WeakPolarHBondContact CD-O 2.98Å; R9-I103 PolarHBondContact NH1-O 3.39Å; L16-I103 HydrophobicContact CD1-CG2 4.2Å; V69-I103 HydrophobicContact CG2-CD1 4.24Å; V69-I103 HydrophobicContact CG2-CG2 3.63Å; F95-I103 HydrophobicContact CD1-CD1 4.02Å; F95-I103 HydrophobicContact CE1-CD1 3.6Å; F95-I103 HydrophobicContact CE1-CG1 3.85Å; F95-I103 HydrophobicContact CZ-CG1 4.44Å; Y96-I103 HydrophobicContact CD2-CD1 4.02Å; Y96-I103 HydrophobicContact CE2-CD1 4.49Å; Y99-I103 WeakPolarHBondContact O-CG1 3.45Å; Y99-I103 PolarHBondContact O-N 3.19Å; Y99-I103 VanDerWaalsContact O-N 3.14Å
104Q91.8Very high93.6Very high115 Ų11571.6 Ų71.654%0.53737%0.372SS..THydrogen-bonded Turntrans-88.4-22.5-177.5-60.7-58.3-28.900113.9R9 Q102R9-Q104 VanDerWaalsContact NH1-C 3.32Å; R9-Q104 PolarHBondContact NH1-O 3.39Å; R9-Q104 VanDerWaalsContact NH1-O 3.17Å; Q102-Q104 PolarHBondContact O-N 3.47Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å
105T94.1Very high93.5Very high112 Ų11266.6 Ų66.669%0.68735%0.348SS*.THydrogen-bonded Turntrans-95.7-21.4-174.456.70000112.9Q102Q102-T105 PolarHBondContact O-N 2.83Å; Q102-T105 VanDerWaalsContact O-N 3.15Å; Q102-T105 PolarHBondContact O-OG1 3.4Å
106V94.5Very high93.1Very high28 Ų2869.3 Ų69.317%0.1736%0.363CS..  trans-71.3139.4-177.675.80000112.1R9 L14 L16 Q102 A111 F112R9-V106 PolarHBondContact NH1-O 2.97Å; R9-V106 PolarHBondContact NH2-O 3.32Å; L14-V106 HydrophobicContact CD2-CG1 4.09Å; L14-V106 WeakPolarHBondContact CD2-O 3.36Å; L16-V106 HydrophobicContact CD2-CG1 3.99Å; Q102-V106 WeakPolarHBondContact O-CB 3.31Å; Q102-V106 PolarHBondContact O-N 2.78Å; V106-A111 HydrophobicContact CB-CB 4.37Å; V106-A111 HydrophobicContact CG1-CB 4.49Å; V106-A111 HydrophobicContact CG2-CB 3.21Å; V106-F112 HydrophobicContact CG1-CE2 4.03Å; V106-F112 HydrophobicContact CG1-CZ 4.12Å
107S92.6Very high92.8Very high102 Ų10271.5 Ų71.571%0.71338%0.375SS*.  trans-118.8-20.6179.857.20000113.1
108R91.7Very high92.6Very high159 Ų15969.9 Ų69.960%0.635%0.353SS*.SBendtrans-79.2130.4179.8-172.3-177174.3-171.8-2.2110.4
109P91.1Very high92.5Very high67 Ų6765.3 Ų65.344%0.43533%0.333SS..THydrogen-bonded Turntrans-57.4140.8169.9-26.335.4000112L14 P15 A111L14-P109 HydrophobicContact CD1-CB 4.25Å; L14-P109 HydrophobicContact CD1-CG 3.87Å; P15-P109 HydrophobicContact CG-CB 4.02Å; P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 3.48Å
110Y91.6Very high92.3Very high23 Ų2368.2 Ų68.29%0.0935%0.347CS..THydrogen-bonded Turntrans5645.5179-54.2-88.3000112.5P15 L16 A18 K38 F112 L113 L172P15-Y110 HydrophobicContact CB-CD1 4.27Å; P15-Y110 HydrophobicContact CB-CD2 4.31Å; P15-Y110 HydrophobicContact CB-CE1 3.69Å; P15-Y110 HydrophobicContact CB-CE2 3.67Å; P15-Y110 HydrophobicContact CG-CD2 3.93Å; P15-Y110 HydrophobicContact CG-CE1 4.26Å; P15-Y110 HydrophobicContact CG-CE2 3.26Å; P15-Y110 PolarHBondContact O-N 3.29Å; L16-Y110 CarbonylContact O-C 3.55Å; L16-Y110 VanDerWaalsContact O-CA 3.32Å; L16-Y110 WeakPolarHBondContact O-CA 3.46Å; A18-Y110 HydrophobicContact CB-CD1 4.23Å; A18-Y110 HydrophobicContact CB-CE1 3.66Å; K38-Y110 WeakPolarHBondContact CE-OH 3.24Å; Y110-F112 PolarHBondContact O-N 2.95Å; Y110-L113 VanDerWaalsContact O-CG 3.28Å; Y110-L113 WeakPolarHBondContact O-CG 3.33Å; Y110-L172 HydrophobicContact CD1-CD2 4.36Å; Y110-L172 HydrophobicContact CD2-CD1 4.17Å; Y110-L172 HydrophobicContact CD2-CD2 3.86Å; Y110-L172 HydrophobicContact CD2-CG 4.32Å; Y110-L172 HydrophobicContact CE1-CD2 3.76Å; Y110-L172 HydrophobicContact CE2-CD1 3.27Å; Y110-L172 HydrophobicContact CE2-CD2 3.24Å; Y110-L172 HydrophobicContact CE2-CG 3.67Å; Y110-L172 HydrophobicContact CG-CD2 4.4Å; Y110-L172 VanDerWaalsContact OH-CD2 3.31Å; Y110-L172 WeakPolarHBondContact OH-CD2 3.31Å
111A91.7Very high92.1Very high41 Ų4169.4 Ų69.434%0.33936%0.355SS..THydrogen-bonded Turntrans-67.9-19-177.800000114.4L16 V106 P109L16-A111 PolarHBondContact O-N 3.49Å; V106-A111 HydrophobicContact CB-CB 4.37Å; V106-A111 HydrophobicContact CG1-CB 4.49Å; V106-A111 HydrophobicContact CG2-CB 3.21Å; P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 3.48Å
112F92.8Very high91.9Very high8 Ų863.6 Ų63.64%0.03533%0.328CS..THydrogen-bonded Turntrans-111.748.7-175.7-48.5-74.9000111.1L16 F95 Y99 Q102 V106 Y110 D114 F115L16-F112 HydrophobicContact CB-CD2 3.82Å; L16-F112 HydrophobicContact CB-CE2 4.12Å; L16-F112 HydrophobicContact CD2-CE2 4.07Å; L16-F112 HydrophobicContact CG-CE2 4.46Å; L16-F112 PolarHBondContact O-N 3.09Å; L16-F112 VanDerWaalsContact O-N 3.1Å; F95-F112 HydrophobicContact CE2-CB 3.97Å; F95-F112 AromaticContact CE2-CD2 3.93Å; F95-F112 HydrophobicContact CE2-CD2 3.93Å; F95-F112 HydrophobicContact CE2-CG 4.06Å; F95-F112 AromaticContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CD2 3.61Å; F95-F112 AromaticContact CZ-CE2 3.97Å; F95-F112 HydrophobicContact CZ-CE2 3.97Å; F95-F112 HydrophobicContact CZ-CG 4.16Å; Y99-F112 AromaticContact CD1-CD1 3.37Å; Y99-F112 HydrophobicContact CD1-CD1 3.37Å; Y99-F112 AromaticContact CD1-CE1 3.59Å; Y99-F112 HydrophobicContact CD1-CE1 3.59Å; Y99-F112 HydrophobicContact CD1-CG 4.32Å; Y99-F112 HydrophobicContact CD2-CB 4.41Å; Y99-F112 HydrophobicContact CD2-CD1 4.01Å; Y99-F112 HydrophobicContact CD2-CG 4.21Å; Y99-F112 AromaticContact CE1-CD1 3.56Å; Y99-F112 HydrophobicContact CE1-CD1 3.56Å; Y99-F112 HydrophobicContact CE1-CE1 4.22Å; Y99-F112 HydrophobicContact CE1-CG 4.4Å; Y99-F112 HydrophobicContact CE2-CB 4.05Å; Y99-F112 HydrophobicContact CE2-CD1 4.19Å; Y99-F112 HydrophobicContact CE2-CG 4.3Å; Y99-F112 AromaticContact CG-CD1 3.59Å; Y99-F112 HydrophobicContact CG-CD1 3.59Å; Y99-F112 AromaticContact CG-CE1 3.75Å; Y99-F112 HydrophobicContact CG-CE1 3.75Å; Y99-F112 HydrophobicContact CG-CG 4.2Å; Y99-F112 HydrophobicContact CG-CZ 4.47Å; Y99-F112 AromaticContact CZ-CD1 3.96Å; Q102-F112 HydrophobicContact CB-CE1 3.91Å; Q102-F112 HydrophobicContact CB-CZ 3.91Å; V106-F112 HydrophobicContact CG1-CE2 4.03Å; V106-F112 HydrophobicContact CG1-CZ 4.12Å; Y110-F112 PolarHBondContact O-N 2.95Å; F112-D114 PolarHBondContact O-N 3.14Å; F112-F115 HydrophobicContact CB-CB 4.46Å; F112-F115 VanDerWaalsContact O-CB 3.27Å; F112-F115 WeakPolarHBondContact O-CB 3.39Å; F112-F115 PolarHBondContact O-N 3.01Å
113L88Confident91.7Very high75 Ų7559.4 Ų59.439%0.39331%0.309SS..G310 helixtrans-56.9-31.7177.4-66.1176000112.3Y110 F115 D116 Y179Y110-L113 VanDerWaalsContact O-CG 3.28Å; Y110-L113 WeakPolarHBondContact O-CG 3.33Å; L113-F115 PolarHBondContact O-N 3.47Å; L113-F115 VanDerWaalsContact O-N 3.15Å; L113-D116 VanDerWaalsContact O-CB 3.28Å; L113-D116 WeakPolarHBondContact O-CB 3.48Å; L113-D116 PolarHBondContact O-N 3.4Å; L113-Y179 HydrophobicContact CD1-CD2 4.3Å; L113-Y179 HydrophobicContact CD1-CE1 4.08Å; L113-Y179 HydrophobicContact CD1-CE2 3.76Å
114D89.3Confident91.4Very high82 Ų8267 Ų6744%0.43934%0.342SS..G310 helixtrans-64.4-16.117871.3-47000112.1K98 Y99 F112 D116 H117K98-D114 IonicContact NZ-OD2 3.41Å; K98-D114 PolarHBondContact NZ-OD2 3.42Å; Y99-D114 PolarHBondContact OH-OD1 3.47Å; Y99-D114 PolarHBondContact OH-OD2 2.94Å; F112-D114 PolarHBondContact O-N 3.14Å; D114-D116 VanDerWaalsContact C-N 3.25Å; D114-D116 PolarHBondContact O-N 3.26Å; D114-H117 PolarHBondContact O-CE1 3.38Å; D114-H117 PolarHBondContact O-ND1 2.89Å
115F93Very high91.2Very high0 Ų064.7 Ų64.70%033%0.333CS..G310 helixtrans-73.2-14.5176.1-164.5-104.7000113.9I7 A17 I91 E94 F95 Y99 F112 L113 H117 I118 I119I7-F115 HydrophobicContact CD1-CD1 3.9Å; I7-F115 HydrophobicContact CD1-CE1 3.73Å; A17-F115 HydrophobicContact CB-CB 4.43Å; I91-F115 HydrophobicContact CD1-CE1 4.28Å; I91-F115 HydrophobicContact CG2-CE1 4.01Å; I91-F115 HydrophobicContact CG2-CZ 4.45Å; E94-F115 HydrophobicContact CB-CE2 4.07Å; E94-F115 HydrophobicContact CB-CZ 4.01Å; F95-F115 HydrophobicContact CB-CE1 3.99Å; F95-F115 HydrophobicContact CB-CE2 3.96Å; F95-F115 HydrophobicContact CB-CZ 3.59Å; F95-F115 HydrophobicContact CD2-CB 4.5Å; F95-F115 AromaticContact CD2-CD1 3.75Å; F95-F115 HydrophobicContact CD2-CD1 3.75Å; F95-F115 HydrophobicContact CD2-CD2 4.03Å; F95-F115 AromaticContact CD2-CE1 3.91Å; F95-F115 HydrophobicContact CD2-CE1 3.91Å; F95-F115 HydrophobicContact CD2-CE2 4.15Å; F95-F115 AromaticContact CD2-CG 3.82Å; F95-F115 HydrophobicContact CD2-CG 3.82Å; F95-F115 HydrophobicContact CD2-CZ 4.1Å; F95-F115 HydrophobicContact CE2-CG 4.44Å; F95-F115 HydrophobicContact CG-CE1 4.42Å; F95-F115 HydrophobicContact CG-CZ 4.37Å; Y99-F115 HydrophobicContact CD2-CD2 4.45Å; Y99-F115 HydrophobicContact CE2-CB 3.95Å; Y99-F115 AromaticContact CE2-CD2 3.55Å; Y99-F115 HydrophobicContact CE2-CD2 3.55Å; Y99-F115 HydrophobicContact CE2-CE2 4.39Å; Y99-F115 HydrophobicContact CE2-CG 4.01Å; F112-F115 HydrophobicContact CB-CB 4.46Å; F112-F115 VanDerWaalsContact O-CB 3.27Å; F112-F115 WeakPolarHBondContact O-CB 3.39Å; F112-F115 PolarHBondContact O-N 3.01Å; L113-F115 PolarHBondContact O-N 3.47Å; L113-F115 VanDerWaalsContact O-N 3.15Å; F115-H117 VanDerWaalsContact C-N 3.27Å; F115-H117 PolarHBondContact O-N 3.13Å; F115-I118 HydrophobicContact CD2-CB 4.12Å; F115-I118 HydrophobicContact CD2-CD1 3.64Å; F115-I118 HydrophobicContact CD2-CG1 4.31Å; F115-I118 HydrophobicContact CE1-CB 4.49Å; F115-I118 HydrophobicContact CE1-CG2 4.42Å; F115-I118 HydrophobicContact CE2-CB 3.92Å; F115-I118 HydrophobicContact CE2-CD1 3.59Å; F115-I118 HydrophobicContact CE2-CG1 4.3Å; F115-I118 HydrophobicContact CE2-CG2 3.83Å; F115-I118 HydrophobicContact CZ-CB 4.11Å; F115-I118 HydrophobicContact CZ-CG2 3.76Å; F115-I118 WeakPolarHBondContact O-CB 3.12Å; F115-I118 PolarHBondContact O-N 3.11Å; F115-I119 HydrophobicContact CD1-CD1 3.81Å; F115-I119 HydrophobicContact CD1-CG1 3.62Å; F115-I119 HydrophobicContact CE1-CD1 4.21Å; F115-I119 HydrophobicContact CE1-CG1 3.68Å; F115-I119 PolarHBondContact O-N 3.03Å
116D88.9Confident90.8Very high58 Ų5861.6 Ų61.631%0.3131%0.309SS..Hα-helixtrans-54.4-38.2-178.3-177.166.3000113.4T19 L113 D114 I118 I119 H120T19-D116 WeakPolarHBondContact CB-OD1 3.46Å; T19-D116 VanDerWaalsContact CG2-OD1 3.31Å; T19-D116 WeakPolarHBondContact CG2-OD1 3.36Å; T19-D116 PolarHBondContact OG1-OD1 2.81Å; L113-D116 VanDerWaalsContact O-CB 3.28Å; L113-D116 WeakPolarHBondContact O-CB 3.48Å; L113-D116 PolarHBondContact O-N 3.4Å; D114-D116 VanDerWaalsContact C-N 3.25Å; D114-D116 PolarHBondContact O-N 3.26Å; D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 3.25Å; D116-I119 WeakPolarHBondContact O-CB 3.31Å; D116-I119 PolarHBondContact O-N 3.38Å; D116-H120 PolarHBondContact O-CD2 2.82Å; D116-H120 PolarHBondContact O-N 3.38Å; D116-H120 IonicContact OD1-CD2 3.72Å; D116-H120 IonicContact OD1-NE2 2.61Å; D116-H120 IonicContact OD2-CD2 2.63Å; D116-H120 PolarHBondContact OD2-CD2 2.57Å; D116-H120 IonicContact OD2-NE2 2.95Å
117H90.2Very high90.2Very high112 Ų11262 Ų6252%0.51931%0.313SS..Hα-helixtrans-64.9-33.3177.375.1-82.9000113.1D114 F115 K121D114-H117 PolarHBondContact O-CE1 3.38Å; D114-H117 PolarHBondContact O-ND1 2.89Å; F115-H117 VanDerWaalsContact C-N 3.27Å; F115-H117 PolarHBondContact O-N 3.13Å; H117-K121 VanDerWaalsContact O-CB 3.28Å; H117-K121 WeakPolarHBondContact O-CB 3.37Å; H117-K121 PolarHBondContact O-N 3.46Å
118I92.7Very high89.4Confident23 Ų2361 Ų6112%0.11830%0.3CS..Hα-helixtrans-69.5-44.6175.8-62.9176.2000108.7E94 F115 D116 H120 K121 T122E94-I118 HydrophobicContact CB-CG2 4.21Å; E94-I118 HydrophobicContact CG-CG2 4.38Å; F115-I118 HydrophobicContact CD2-CB 4.12Å; F115-I118 HydrophobicContact CD2-CD1 3.64Å; F115-I118 HydrophobicContact CD2-CG1 4.31Å; F115-I118 HydrophobicContact CE1-CB 4.49Å; F115-I118 HydrophobicContact CE1-CG2 4.42Å; F115-I118 HydrophobicContact CE2-CB 3.92Å; F115-I118 HydrophobicContact CE2-CD1 3.59Å; F115-I118 HydrophobicContact CE2-CG1 4.3Å; F115-I118 HydrophobicContact CE2-CG2 3.83Å; F115-I118 HydrophobicContact CZ-CB 4.11Å; F115-I118 HydrophobicContact CZ-CG2 3.76Å; F115-I118 WeakPolarHBondContact O-CB 3.12Å; F115-I118 PolarHBondContact O-N 3.11Å; D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 3.25Å; I118-H120 PolarHBondContact O-N 3.25Å; I118-K121 PolarHBondContact O-N 3.34Å; I118-T122 VanDerWaalsContact O-CB 3.31Å; I118-T122 WeakPolarHBondContact O-CB 3.32Å; I118-T122 PolarHBondContact O-N 3.47Å; I118-T122 PolarHBondContact O-OG1 3.15Å
119I93.4Very high88.1Confident0 Ų058.4 Ų58.40%031%0.306CS..Hα-helixtrans-55.1-52.1175.5-63.1173.9000110.3T5 I7 T19 F87 I91 F115 D116 K121 T122 Q123T5-I119 HydrophobicContact CG2-CD1 4.17Å; T5-I119 HydrophobicContact CG2-CG2 4Å; I7-I119 HydrophobicContact CD1-CD1 4.44Å; T19-I119 HydrophobicContact CG2-CG2 4.19Å; T19-I119 WeakPolarHBondContact OG1-CD1 3.21Å; T19-I119 WeakPolarHBondContact OG1-CG2 3.46Å; F87-I119 HydrophobicContact CZ-CG2 4.2Å; I91-I119 HydrophobicContact CD1-CB 4.47Å; I91-I119 HydrophobicContact CD1-CG1 4.1Å; F115-I119 HydrophobicContact CD1-CD1 3.81Å; F115-I119 HydrophobicContact CD1-CG1 3.62Å; F115-I119 HydrophobicContact CE1-CD1 4.21Å; F115-I119 HydrophobicContact CE1-CG1 3.68Å; F115-I119 PolarHBondContact O-N 3.03Å; D116-I119 WeakPolarHBondContact O-CB 3.31Å; D116-I119 PolarHBondContact O-N 3.38Å; I119-K121 PolarHBondContact O-N 3.06Å; I119-T122 PolarHBondContact O-N 3.35Å; I119-Q123 WeakPolarHBondContact O-CB 3.4Å; I119-Q123 PolarHBondContact O-N 2.85Å
120H90.9Very high86.7Confident72 Ų7265.9 Ų65.933%0.33333%0.325SS..Hα-helixtrans-62.9-42.2179.4-81.6-53.5000113.7T19 D116 I118 Q123 K124T19-H120 WeakPolarHBondContact CG2-CE1 3.34Å; T19-H120 VanDerWaalsContact CG2-NE2 3.35Å; T19-H120 WeakPolarHBondContact CG2-NE2 3.13Å; D116-H120 PolarHBondContact O-CD2 2.82Å; D116-H120 PolarHBondContact O-N 3.38Å; D116-H120 IonicContact OD1-CD2 3.72Å; D116-H120 IonicContact OD1-NE2 2.61Å; D116-H120 IonicContact OD2-CD2 2.63Å; D116-H120 PolarHBondContact OD2-CD2 2.57Å; D116-H120 IonicContact OD2-NE2 2.95Å; I118-H120 PolarHBondContact O-N 3.25Å; H120-Q123 PolarHBondContact O-N 3.43Å; H120-K124 WeakPolarHBondContact O-CG 3.15Å; H120-K124 PolarHBondContact O-N 2.78Å; H120-K124 VanDerWaalsContact O-N 3.14Å
121K90.8Very high85Confident145 Ų14566.6 Ų66.663%0.6333%0.333SS*.Hα-helixtrans-61.1-49.3177178.5-177.6174.2-171.50110.6H117 I118 I119 K124 I125H117-K121 VanDerWaalsContact O-CB 3.28Å; H117-K121 WeakPolarHBondContact O-CB 3.37Å; H117-K121 PolarHBondContact O-N 3.46Å; I118-K121 PolarHBondContact O-N 3.34Å; I119-K121 PolarHBondContact O-N 3.06Å; K121-K124 PolarHBondContact O-N 3.4Å; K121-I125 WeakPolarHBondContact O-CG1 3.44Å; K121-I125 PolarHBondContact O-N 2.82Å
122T91.4Very high83.1Confident14 Ų1469.7 Ų69.79%0.08635%0.353CS..Hα-helixtrans-64.5-43179.7-570000110.3F87 A90 I91 I118 I119 K124 I125 Y126F87-T122 HydrophobicContact CD2-CG2 3.71Å; F87-T122 HydrophobicContact CE2-CG2 3.85Å; A90-T122 HydrophobicContact CB-CG2 3.94Å; I91-T122 HydrophobicContact CD1-CG2 3.92Å; I91-T122 HydrophobicContact CG1-CG2 4.26Å; I118-T122 VanDerWaalsContact O-CB 3.31Å; I118-T122 WeakPolarHBondContact O-CB 3.32Å; I118-T122 PolarHBondContact O-N 3.47Å; I118-T122 PolarHBondContact O-OG1 3.15Å; I119-T122 PolarHBondContact O-N 3.35Å; T122-K124 VanDerWaalsContact C-N 3.29Å; T122-K124 PolarHBondContact O-N 2.96Å; T122-I125 WeakPolarHBondContact O-CB 3.39Å; T122-I125 PolarHBondContact O-N 2.86Å; T122-Y126 HydrophobicContact CG2-CD2 3.69Å; T122-Y126 HydrophobicContact CG2-CE2 3.58Å; T122-Y126 VanDerWaalsContact O-CD2 3.27Å; T122-Y126 WeakPolarHBondContact O-CD2 3.37Å; T122-Y126 PolarHBondContact O-N 2.91Å; T122-Y126 VanDerWaalsContact O-N 3.13Å
123Q90.6Very high81.4Confident11 Ų1172.4 Ų72.45%0.05137%0.368CS..Hα-helixtrans-58.3-39.9178.9-179.2178-5.100112.1I2 F87 I119 H120 I125 Y126 S127I2-Q123 HydrophobicContact CB-CG 4.28Å; I2-Q123 HydrophobicContact CD1-CG 4.31Å; I2-Q123 PolarHBondContact O-NE2 3.29Å; F87-Q123 HydrophobicContact CE2-CB 3.89Å; I119-Q123 WeakPolarHBondContact O-CB 3.4Å; I119-Q123 PolarHBondContact O-N 2.85Å; H120-Q123 PolarHBondContact O-N 3.43Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 2.83Å; Q123-Y126 PolarHBondContact O-N 3.23Å; Q123-S127 WeakPolarHBondContact O-CB 3.42Å; Q123-S127 PolarHBondContact O-N 2.99Å; Q123-S127 PolarHBondContact O-OG 2.84Å
124K87.7Confident79.8Confident160 Ų16074.1 Ų74.170%0.69638%0.377SS*.Hα-helixtrans-61.6-41.5174.8-72.2178.6-177.2-177.10112.3H120 K121 T122 Y126 D128H120-K124 WeakPolarHBondContact O-CG 3.15Å; H120-K124 PolarHBondContact O-N 2.78Å; H120-K124 VanDerWaalsContact O-N 3.14Å; K121-K124 PolarHBondContact O-N 3.4Å; T122-K124 VanDerWaalsContact C-N 3.29Å; T122-K124 PolarHBondContact O-N 2.96Å; K124-Y126 PolarHBondContact O-N 2.91Å; K124-D128 WeakPolarHBondContact O-CB 3.42Å; K124-D128 PolarHBondContact O-N 3.24Å
125I87.5Confident78.2Confident67 Ų6774.4 Ų74.434%0.34439%0.385SS..Hα-helixtrans-62.4-45.3179.8-63166.9000110.9K121 T122 Q123 S131K121-I125 WeakPolarHBondContact O-CG1 3.44Å; K121-I125 PolarHBondContact O-N 2.82Å; T122-I125 WeakPolarHBondContact O-CB 3.39Å; T122-I125 PolarHBondContact O-N 2.86Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 2.83Å; I125-S131 PolarHBondContact O-OG 3.11Å
126Y86.1Confident76.4Confident46 Ų4681.3 Ų81.318%0.1842%0.417CS..Hα-helixtrans-87.8-21.6-175-70-84.4000114.3A86 F87 A90 T122 Q123 K124 L137A86-Y126 HydrophobicContact CB-CD1 3.98Å; A86-Y126 HydrophobicContact CB-CE1 3.48Å; A86-Y126 VanDerWaalsContact CB-CE1 3.48Å; F87-Y126 HydrophobicContact CB-CD1 4.44Å; F87-Y126 HydrophobicContact CB-CD2 4.12Å; F87-Y126 HydrophobicContact CB-CG 3.97Å; F87-Y126 HydrophobicContact CD2-CD2 4.02Å; F87-Y126 HydrophobicContact CD2-CG 4.44Å; A90-Y126 HydrophobicContact CB-CE2 3.99Å; T122-Y126 HydrophobicContact CG2-CD2 3.69Å; T122-Y126 HydrophobicContact CG2-CE2 3.58Å; T122-Y126 VanDerWaalsContact O-CD2 3.27Å; T122-Y126 WeakPolarHBondContact O-CD2 3.37Å; T122-Y126 PolarHBondContact O-N 2.91Å; T122-Y126 VanDerWaalsContact O-N 3.13Å; Q123-Y126 PolarHBondContact O-N 3.23Å; K124-Y126 PolarHBondContact O-N 2.91Å; Y126-L137 HydrophobicContact CD1-CD2 4.09Å; Y126-L137 HydrophobicContact CE1-CD2 3.75Å
127S82.7Confident74.9Confident38 Ų3879.7 Ų79.727%0.26641%0.408SS..Hα-helixtrans-84.6-28.1177-57.10000112.8Q123 S129Q123-S127 WeakPolarHBondContact O-CB 3.42Å; Q123-S127 PolarHBondContact O-N 2.99Å; Q123-S127 PolarHBondContact O-OG 2.84Å; S127-S129 PolarHBondContact O-N 3.03Å
128D75.4Confident73.2Confident81 Ų8179.1 Ų79.143%0.43341%0.409SS..  trans-70.6114.7177.5-165.9-10.7000110.1K124 R130 S131K124-D128 WeakPolarHBondContact O-CB 3.42Å; K124-D128 PolarHBondContact O-N 3.24Å; D128-R130 PolarHBondContact O-N 2.64Å; D128-R130 WeakPolarHBondContact OD1-CB 3.41Å; D128-R130 PolarHBondContact OD1-N 3.37Å; D128-S131 PolarHBondContact O-N 3.36Å; D128-S131 PolarHBondContact O-OG 3.21Å
129S64.2Low71.5Confident104 Ų10484.3 Ų84.373%0.72744%0.442SS*.THydrogen-bonded Turntrans-67.1-16.3176.2-70.40000113.1S127S127-S129 PolarHBondContact O-N 3.03Å
130R61.9Low69.7Low224 Ų22487 Ų8785%0.84546%0.464SS*.THydrogen-bonded Turntrans-89.3-11.2-177.5-57.9178.567.5152.50.5113.4D128 S132D128-R130 PolarHBondContact O-N 2.64Å; D128-R130 WeakPolarHBondContact OD1-CB 3.41Å; D128-R130 PolarHBondContact OD1-N 3.37Å; R130-S132 PolarHBondContact O-N 3.49Å
131S55.6Low68.3Low37 Ų3784.6 Ų84.626%0.25945%0.454SS..  trans-73105.117870.70000109.2I125 D128 N133I125-S131 PolarHBondContact O-OG 3.11Å; D128-S131 PolarHBondContact O-N 3.36Å; D128-S131 PolarHBondContact O-OG 3.21Å; S131-N133 PolarHBondContact O-N 2.76Å
132S52.3Low66.9Low107 Ų10785.5 Ų85.575%0.74846%0.46SS*.  trans-68.934.1174.954.30000113.1R130 L134R130-S132 PolarHBondContact O-N 3.49Å; S132-L134 PolarHBondContact O-N 2.88Å
133N55.9Low66.1Low64 Ų6489.4 Ų89.434%0.34248%0.48SS..THydrogen-bonded Turntrans-79.926.8174.2-68.8-12.7000111.8S131 S135 Q136 L137S131-N133 PolarHBondContact O-N 2.76Å; N133-S135 PolarHBondContact O-N 3.49Å; N133-S135 VanDerWaalsContact O-N 3.15Å; N133-Q136 PolarHBondContact O-N 3.43Å; N133-Q136 VanDerWaalsContact O-N 3.11Å; N133-L137 PolarHBondContact O-N 3.04Å
134L54.9Low65.7Low112 Ų11289.3 Ų89.359%0.58648%0.481SS*.Hα-helixtrans-56.2-31.3-179.2-15188.8000111.6S132 L137 N138S132-L134 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.2Å; L134-N138 WeakPolarHBondContact O-CB 3.28Å; L134-N138 PolarHBondContact O-N 2.9Å; L134-N138 PolarHBondContact O-ND2 3.41Å
135S55.3Low65.3Low88 Ų8889.9 Ų89.962%0.61549%0.486SS*.Hα-helixtrans-67.7-35.817952.10000113.5N133N133-S135 PolarHBondContact O-N 3.49Å; N133-S135 VanDerWaalsContact O-N 3.15Å
136Q56.4Low65.2Low144 Ų14495.8 Ų95.867%0.67350%0.504SS*.Hα-helixtrans-78.5-29.5175.2-69.7-179.8-2.700111.8N133N133-Q136 PolarHBondContact O-N 3.43Å; N133-Q136 VanDerWaalsContact O-N 3.11Å
137L57.8Low65.4Low24 Ų2494.4 Ų94.413%0.12650%0.499CS..Hα-helixtrans-69.4-35175.1-72.4166000112.4A86 Y126 N133 L134 V139 L141A86-L137 HydrophobicContact CB-CD2 3.41Å; A86-L137 VanDerWaalsContact CB-CD2 3.41Å; Y126-L137 HydrophobicContact CD1-CD2 4.09Å; Y126-L137 HydrophobicContact CE1-CD2 3.75Å; N133-L137 PolarHBondContact O-N 3.04Å; L134-L137 PolarHBondContact O-N 3.2Å; L137-V139 PolarHBondContact O-N 3.26Å; L137-L141 HydrophobicContact CB-CD1 4.14Å; L137-L141 HydrophobicContact CD2-CD1 3.75Å; L137-L141 WeakPolarHBondContact O-CD1 3.15Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.22Å
138N54.6Low65.8Low100 Ų10095.9 Ų95.954%0.53550%0.503SS..Hα-helixtrans-73.2-19.4-170.8-78.1-17.5000115.3L134L134-N138 WeakPolarHBondContact O-CB 3.28Å; L134-N138 PolarHBondContact O-N 2.9Å; L134-N138 PolarHBondContact O-ND2 3.41Å
139V55.8Low66.7Low133 Ų13395.2 Ų95.281%0.80650%0.502SS*.Hα-helixtrans-89.2-26.1-176.1-179.50000112.6L137L137-V139 PolarHBondContact O-N 3.26Å
140A56.5Low68.1Low57 Ų5793.3 Ų93.347%0.47148%0.481SS..Hα-helixtrans-96.5-9-175.400000114.7
141L61.5Low69.6Low20 Ų2085.5 Ų85.511%0.10546%0.456CS..  trans-12524.9-157.4-56.9168.2000115.9T82 F85 A86 L137 D143 V144T82-L141 HydrophobicContact CG2-CB 3.84Å; T82-L141 HydrophobicContact CG2-CD1 3.26Å; T82-L141 HydrophobicContact CG2-CG 4.11Å; T82-L141 WeakPolarHBondContact O-CD1 3.43Å; F85-L141 HydrophobicContact CB-CD2 4.4Å; A86-L141 HydrophobicContact CB-CD1 3.66Å; A86-L141 HydrophobicContact CB-CD2 4.16Å; A86-L141 HydrophobicContact CB-CG 4.46Å; L137-L141 HydrophobicContact CB-CD1 4.14Å; L137-L141 HydrophobicContact CD2-CD1 3.75Å; L137-L141 WeakPolarHBondContact O-CD1 3.15Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.22Å; L141-D143 PolarHBondContact O-N 2.83Å; L141-V144 HydrophobicContact CB-CG2 4Å; L141-V144 HydrophobicContact CD2-CG2 3.89Å
142Q61.8Low71.4Confident165 Ų16583.9 Ų83.977%0.77144%0.444SS*.THydrogen-bonded Turntrans-66.2-17.6174.9-72.4-173.8-18.800113.3
143D74.5Confident73.1Confident95 Ų9582.2 Ų82.251%0.50843%0.427SS..THydrogen-bonded Turntrans-1052.8-170.5-70.7-9.8000114.9L141 Q145 R146L141-D143 PolarHBondContact O-N 2.83Å; D143-Q145 PolarHBondContact O-N 2.93Å; D143-Q145 VanDerWaalsContact O-N 3.15Å; D143-R146 PolarHBondContact O-N 3.07Å; D143-R146 IonicContact OD1-CZ 3.73Å; D143-R146 IonicContact OD1-NH1 3.7Å; D143-R146 PolarHBondContact OD1-NH1 2.93Å; D143-R146 IonicContact OD1-NH2 3.43Å; D143-R146 IonicContact OD2-NH1 2.79Å
144V80.9Confident74.6Confident9 Ų983.5 Ų83.56%0.05543%0.434CS..G310 helixtrans-61.2-29.3-177.5176.50000112.3R81 F85 L141 R146 I147R81-V144 HydrophobicContact CB-CG1 3.68Å; F85-V144 HydrophobicContact CB-CG2 4.47Å; F85-V144 HydrophobicContact CD2-CG1 4.19Å; L141-V144 HydrophobicContact CB-CG2 4Å; L141-V144 HydrophobicContact CD2-CG2 3.89Å; V144-R146 PolarHBondContact O-N 3.37Å; V144-I147 HydrophobicContact CB-CD1 4.34Å; V144-I147 HydrophobicContact CG1-CD1 4.29Å; V144-I147 HydrophobicContact CG2-CD1 4.36Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 3.45Å
145Q79.9Confident76.1Confident173 Ų17379.1 Ų79.181%0.80841%0.412SS*.G310 helixtrans-64.2-28.1177.7-67.2-177.1-11.800113.2D143 I147D143-Q145 PolarHBondContact O-N 2.93Å; D143-Q145 VanDerWaalsContact O-N 3.15Å; Q145-I147 VanDerWaalsContact C-N 3.32Å
146R86.3Confident77.5Confident191 Ų19175.7 Ų75.772%0.72139%0.387SS*.G310 helixtrans-85.3-6.5179.7-56.2-168.5-164.9102.911.5113.1D143 V144 M148D143-R146 PolarHBondContact O-N 3.07Å; D143-R146 IonicContact OD1-CZ 3.73Å; D143-R146 IonicContact OD1-NH1 3.7Å; D143-R146 PolarHBondContact OD1-NH1 2.93Å; D143-R146 IonicContact OD1-NH2 3.43Å; D143-R146 IonicContact OD2-NH1 2.79Å; V144-R146 PolarHBondContact O-N 3.37Å; R146-M148 PolarHBondContact O-N 3.48Å
147I89.5Confident78.3Confident17 Ų1775.2 Ų75.29%0.08739%0.385CS..SBendtrans-68.9122.5-179.7-62.9176.7000109.2R51 F85 V144 Q145R51-I147 HydrophobicContact CB-CD1 4.06Å; R51-I147 HydrophobicContact CB-CG1 4.14Å; R51-I147 HydrophobicContact CB-CG2 4.17Å; F85-I147 HydrophobicContact CD1-CD1 3.89Å; F85-I147 HydrophobicContact CD2-CD1 3.38Å; F85-I147 HydrophobicContact CE1-CD1 3.88Å; F85-I147 HydrophobicContact CE1-CG2 4.44Å; F85-I147 HydrophobicContact CE2-CB 4.38Å; F85-I147 HydrophobicContact CE2-CD1 3.39Å; F85-I147 HydrophobicContact CE2-CG1 4.46Å; F85-I147 HydrophobicContact CE2-CG2 3.84Å; F85-I147 HydrophobicContact CG-CD1 3.67Å; F85-I147 HydrophobicContact CZ-CD1 3.67Å; F85-I147 HydrophobicContact CZ-CG2 3.62Å; V144-I147 HydrophobicContact CB-CD1 4.34Å; V144-I147 HydrophobicContact CG1-CD1 4.29Å; V144-I147 HydrophobicContact CG2-CD1 4.36Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 3.45Å; Q145-I147 VanDerWaalsContact C-N 3.32Å
148M91.3Very high78.5Confident69 Ų6982.1 Ų82.134%0.3441%0.409SS..EExtended strand (participates in β ladder)trans-60.4138.8-179-172.7178.96300111.2P49 C52 S53 R146 Q150P49-M148 HydrophobicContact CB-CE 4.28Å; P49-M148 HydrophobicContact CG-CE 3.28Å; C52-M148 WeakPolarHBondContact CA-O 3.42Å; C52-M148 HydrophobicContact CB-CE 4.43Å; C52-M148 PolarHBondContact SG-O 3Å; S53-M148 PolarHBondContact N-O 3.22Å; R146-M148 PolarHBondContact O-N 3.48Å; M148-Q150 HydrophobicContact CE-CG 3.8Å; M148-Q150 HydrophobicContact CG-CG 3.84Å; M148-Q150 VanDerWaalsContact SD-CD 3.51Å; M148-Q150 HydrophobicContact SD-CG 3.85Å; M148-Q150 PolarHBondContact SD-NE2 3.44Å
149V94.3Very high78.5Confident67 Ų6779.4 Ų79.441%0.40640%0.404SS..EExtended strand (participates in β ladder)trans-115.6127.9172.6-173.70000108.6S53 I55S53-V149 VanDerWaalsContact O-CA 3.24Å; S53-V149 WeakPolarHBondContact O-CA 3.2Å; I55-V149 HydrophobicContact CD1-CG1 3.92Å; I55-V149 HydrophobicContact CG1-CG1 3.91Å
150Q93.4Very high78.1Confident64 Ų6481.4 Ų81.430%0.29941%0.405SS..EExtended strand (participates in β ladder)trans-135.4166.7177.3-56.6-172.1-61.200110.7S53 L54 I55 M148S53-Q150 PolarHBondContact O-N 2.94Å; L54-Q150 CarbonylContact C-O 3.58Å; L54-Q150 WeakPolarHBondContact CA-O 3.11Å; L54-Q150 HydrophobicContact CD2-CB 3.86Å; I55-Q150 PolarHBondContact N-O 3.48Å; M148-Q150 HydrophobicContact CE-CG 3.8Å; M148-Q150 HydrophobicContact CG-CG 3.84Å; M148-Q150 VanDerWaalsContact SD-CD 3.51Å; M148-Q150 HydrophobicContact SD-CG 3.85Å; M148-Q150 PolarHBondContact SD-NE2 3.44Å
151N93.8Very high77.7Confident60 Ų6082.1 Ų82.132%0.32141%0.411SS..EExtended strand (participates in β ladder)trans-77.3141.6167.8-166.1-41000109.3I55 D153 D154I55-N151 PolarHBondContact O-OD1 2.86Å; N151-D153 PolarHBondContact O-N 3.28Å; N151-D153 PolarHBondContact OD1-N 3.43Å; N151-D153 PolarHBondContact OD1-OD2 3.15Å; N151-D154 WeakPolarHBondContact CB-OD2 3.32Å; N151-D154 PolarHBondContact O-N 3.21Å
152I92.4Very high77.2Confident2 Ų286.1 Ų86.11%0.0143%0.432CS..Hα-helixtrans-62.2-35.3175.4-168.5162.1000112.1Q36 L54 I55 A56 F61 D154 V155 L156Q36-I152 HydrophobicContact CB-CD1 3.81Å; Q36-I152 HydrophobicContact CG-CD1 4.32Å; L54-I152 HydrophobicContact CB-CB 4.23Å; I55-I152 WeakPolarHBondContact O-CB 3.39Å; I55-I152 VanDerWaalsContact O-CG2 3.27Å; I55-I152 WeakPolarHBondContact O-CG2 3.48Å; I55-I152 PolarHBondContact O-N 2.87Å; A56-I152 HydrophobicContact CB-CB 4.3Å; A56-I152 HydrophobicContact CB-CD1 4.32Å; A56-I152 HydrophobicContact CB-CG2 3.81Å; F61-I152 HydrophobicContact CD2-CD1 3.51Å; F61-I152 HydrophobicContact CE2-CD1 3.42Å; F61-I152 VanDerWaalsContact CE2-CD1 3.42Å; F61-I152 HydrophobicContact CZ-CD1 4.46Å; I152-D154 VanDerWaalsContact C-N 3.3Å; I152-D154 PolarHBondContact O-N 2.98Å; I152-V155 PolarHBondContact O-N 3.44Å; I152-L156 HydrophobicContact CD1-CD1 4.09Å; I152-L156 HydrophobicContact CG1-CD1 3.74Å; I152-L156 HydrophobicContact CG1-CG 3.91Å; I152-L156 WeakPolarHBondContact O-CG 3.19Å; I152-L156 PolarHBondContact O-N 3.48Å
153D88.8Confident76.7Confident72 Ų7283.3 Ų83.339%0.38543%0.43SS..Hα-helixtrans-63.6-39.3-178.2-63.4-39000110.7N151 V155 L156 Q157N151-D153 PolarHBondContact O-N 3.28Å; N151-D153 PolarHBondContact OD1-N 3.43Å; N151-D153 PolarHBondContact OD1-OD2 3.15Å; D153-V155 PolarHBondContact O-N 3.32Å; D153-L156 PolarHBondContact O-N 3.37Å; D153-Q157 VanDerWaalsContact O-CB 3.25Å; D153-Q157 WeakPolarHBondContact O-CB 3.43Å; D153-Q157 WeakPolarHBondContact O-CG 3.3Å; D153-Q157 PolarHBondContact O-N 2.83Å
154D87.4Confident75.6Confident91 Ų9183.7 Ų83.749%0.48744%0.436SS..Hα-helixtrans-62.8-26.6176.1-58.1-21.1000113N151 I152 R158N151-D154 WeakPolarHBondContact CB-OD2 3.32Å; N151-D154 PolarHBondContact O-N 3.21Å; I152-D154 VanDerWaalsContact C-N 3.3Å; I152-D154 PolarHBondContact O-N 2.98Å; D154-R158 PolarHBondContact O-NE 2.78Å; D154-R158 PolarHBondContact O-NH2 3.08Å
155V86.7Confident74.3Confident20 Ų2085.2 Ų85.212%0.12144%0.444CS..Hα-helixtrans-85.5-40.7177.4-176.90000110.7L40 L54 I152 D153L40-V155 HydrophobicContact CD1-CB 4.45Å; L40-V155 HydrophobicContact CD1-CG1 3.57Å; L54-V155 HydrophobicContact CD2-CG2 3.72Å; I152-V155 PolarHBondContact O-N 3.44Å; D153-V155 PolarHBondContact O-N 3.32Å
156L84.7Confident73Confident17 Ų1782.8 Ų82.89%0.08944%0.436CS..Hα-helixtrans-79.6-31.3-176.3-65.9-176000113.9Q36 A39 L40 I152 D153 R158Q36-L156 HydrophobicContact CB-CD1 4.19Å; Q36-L156 HydrophobicContact CG-CD1 3.96Å; A39-L156 HydrophobicContact CB-CD2 3.72Å; L40-L156 HydrophobicContact CB-CD2 4.46Å; I152-L156 HydrophobicContact CD1-CD1 4.09Å; I152-L156 HydrophobicContact CG1-CD1 3.74Å; I152-L156 HydrophobicContact CG1-CG 3.91Å; I152-L156 WeakPolarHBondContact O-CG 3.19Å; I152-L156 PolarHBondContact O-N 3.48Å; D153-L156 PolarHBondContact O-N 3.37Å; L156-R158 PolarHBondContact O-N 3.43Å; L156-R158 VanDerWaalsContact O-N 3.08Å
157Q72.4Confident71.3Confident134 Ų13477.7 Ų77.763%0.62643%0.43SS*.THydrogen-bonded Turntrans-65.7-9.9-178.9-76.6176.5900113.9D153 G159D153-Q157 VanDerWaalsContact O-CB 3.25Å; D153-Q157 WeakPolarHBondContact O-CB 3.43Å; D153-Q157 WeakPolarHBondContact O-CG 3.3Å; D153-Q157 PolarHBondContact O-N 2.83Å; Q157-G159 PolarHBondContact O-N 2.92Å
158R61.4Low69.4Low169 Ų16985.7 Ų85.764%0.63846%0.459SS*.THydrogen-bonded Turntrans-75.342.7179-74.6-176.1-97.4169.1-5114.7R43 D154 L156R43-R158 PolarHBondContact NH1-O 3.2Å; R43-R158 VanDerWaalsContact NH1-O 3.08Å; D154-R158 PolarHBondContact O-NE 2.78Å; D154-R158 PolarHBondContact O-NH2 3.08Å; L156-R158 PolarHBondContact O-N 3.43Å; L156-R158 VanDerWaalsContact O-N 3.08Å
159G54.4Low67.4Low42 Ų4282.6 Ų82.643%0.43344%0.444SS..THydrogen-bonded Turntrans14255.9158.900000116R43 Q157 A161R43-G159 PolarHBondContact NH1-O 2.93Å; R43-G159 PolarHBondContact NH2-O 2.84Å; Q157-G159 PolarHBondContact O-N 2.92Å; G159-A161 PolarHBondContact O-N 2.87Å
160E49.1Very low65.5Low175 Ų17582.5 Ų82.582%0.81845%0.446SS*.  trans-27.8115.3178.4-73.4-175142.700116.1
161A46.7Very low63.7Low72 Ų7284.4 Ų84.460%0.59546%0.459SS*.  trans-157.566.715100000107.4G159 S163G159-A161 PolarHBondContact O-N 2.87Å; A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 3.2Å
162L52.1Low61.7Low104 Ų10482.9 Ų82.955%0.54545%0.451SS..  trans-87.615.8-174.5-114.5146.8000113.5
163S50.3Low60.2Low107 Ų10784.7 Ų84.775%0.74846%0.463SS*.SBendtrans-90.7-2.5-170560000115.9A161A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 3.2Å
164T52.9Low58.8Low102 Ų10285.2 Ų85.263%0.62647%0.469SS*.SBendtrans-116.31.4-173.455.60000115.5
165L53.2Low57.5Low41 Ų4184.4 Ų84.422%0.21546%0.464CS..SBendtrans-89.2-19.9-177.9-88.6154000114.3K38 R168 A169K38-L165 HydrophobicContact CB-CD2 4.23Å; K38-L165 HydrophobicContact CD-CD2 4.12Å; L165-R168 PolarHBondContact O-N 2.97Å; L165-A169 PolarHBondContact O-N 3.36Å
166D52Low56.2Low122 Ų12286.2 Ų86.265%0.65248%0.477SS*.Hα-helixtrans-71.5-39-170-135.917.4000113.2R168 A169 S170D166-R168 VanDerWaalsContact C-N 3.3Å; D166-R168 PolarHBondContact O-N 2.92Å; D166-A169 PolarHBondContact O-N 3.2Å; D166-S170 PolarHBondContact O-N 3.17Å
167S51.2Low55.1Low84 Ų8492.2 Ų92.259%0.58750%0.502SS*.Hα-helixtrans-73-20179.364.90000113.9N171S167-N171 PolarHBondContact O-ND2 3.17Å
168R49Very low54.7Low186 Ų18691.1 Ų91.170%0.70250%0.496SS*.Hα-helixtrans-90.7-27.2177.2-67.2-175178.7-174.20.7112.2L165 D166L165-R168 PolarHBondContact O-N 2.97Å; D166-R168 VanDerWaalsContact C-N 3.3Å; D166-R168 PolarHBondContact O-N 2.92Å
169A50.4Low54.6Low3 Ų387.4 Ų87.43%0.02548%0.482CS..Hα-helixtrans-72.8-37.2178.400000113.1N35 L165 D166 N171 L172 S173N35-A169 VanDerWaalsContact OD1-CB 3.23Å; N35-A169 WeakPolarHBondContact OD1-CB 3.49Å; L165-A169 PolarHBondContact O-N 3.36Å; D166-A169 PolarHBondContact O-N 3.2Å; A169-N171 PolarHBondContact O-N 3.15Å; A169-L172 WeakPolarHBondContact O-CA 3.4Å; A169-L172 VanDerWaalsContact O-CB 3.25Å; A169-L172 WeakPolarHBondContact O-CB 3.28Å; A169-L172 PolarHBondContact O-N 3.08Å; A169-S173 PolarHBondContact O-N 3.27Å; A169-S173 VanDerWaalsContact O-N 3.13Å
170S53.1Low54.9Low65 Ų6592.2 Ų92.246%0.45549%0.487SS..Hα-helixtrans-66-38.2179.280.10000113D166 L172 S173 T174D166-S170 PolarHBondContact O-N 3.17Å; S170-L172 PolarHBondContact O-N 3.39Å; S170-S173 PolarHBondContact O-N 3.3Å; S170-S173 PolarHBondContact O-OG 3.1Å; S170-T174 PolarHBondContact O-N 3.33Å; S170-T174 VanDerWaalsContact O-N 3.16Å; S170-T174 PolarHBondContact O-OG1 2.87Å
171N55.7Low55.6Low105 Ų10589.5 Ų89.556%0.56147%0.474SS*.Hα-helixtrans-60.4-30172.8-82.5-52.6000111.5S167 A169 T174 M175S167-N171 PolarHBondContact O-ND2 3.17Å; A169-N171 PolarHBondContact O-N 3.15Å; N171-T174 PolarHBondContact O-N 2.83Å; N171-M175 WeakPolarHBondContact O-CB 3.3Å; N171-M175 WeakPolarHBondContact O-CG 3.31Å; N171-M175 PolarHBondContact O-N 3.48Å
172L52Low56.6Low28 Ų2889 Ų8915%0.14746%0.462CS..Hα-helixtrans-78.4-37.1-179.7-113.6130.5000113.9Y110 A169 S170 T174 M175 S176Y110-L172 HydrophobicContact CD1-CD2 4.36Å; Y110-L172 HydrophobicContact CD2-CD1 4.17Å; Y110-L172 HydrophobicContact CD2-CD2 3.86Å; Y110-L172 HydrophobicContact CD2-CG 4.32Å; Y110-L172 HydrophobicContact CE1-CD2 3.76Å; Y110-L172 HydrophobicContact CE2-CD1 3.27Å; Y110-L172 HydrophobicContact CE2-CD2 3.24Å; Y110-L172 HydrophobicContact CE2-CG 3.67Å; Y110-L172 HydrophobicContact CG-CD2 4.4Å; Y110-L172 VanDerWaalsContact OH-CD2 3.31Å; Y110-L172 WeakPolarHBondContact OH-CD2 3.31Å; A169-L172 WeakPolarHBondContact O-CA 3.4Å; A169-L172 VanDerWaalsContact O-CB 3.25Å; A169-L172 WeakPolarHBondContact O-CB 3.28Å; A169-L172 PolarHBondContact O-N 3.08Å; S170-L172 PolarHBondContact O-N 3.39Å; L172-T174 PolarHBondContact O-N 3.42Å; L172-M175 PolarHBondContact O-N 3.45Å; L172-S176 WeakPolarHBondContact O-CB 3.27Å; L172-S176 PolarHBondContact O-N 2.88Å; L172-S176 PolarHBondContact O-OG 3.43Å
173S60.7Low57.2Low39 Ų3986.9 Ų86.927%0.27346%0.459SS..Hα-helixtrans-59.6-41.2169.294.40000110.8A169 S170 K177A169-S173 PolarHBondContact O-N 3.27Å; A169-S173 VanDerWaalsContact O-N 3.13Å; S170-S173 PolarHBondContact O-N 3.3Å; S170-S173 PolarHBondContact O-OG 3.1Å; S173-K177 WeakPolarHBondContact O-CB 3.44Å; S173-K177 PolarHBondContact O-N 2.93Å
174T59.6Low58Low83 Ų8387.7 Ų87.751%0.50945%0.451SS..Hα-helixtrans-67.1-43.4-179.2-54.10000110S170 N171 L172 K178S170-T174 PolarHBondContact O-N 3.33Å; S170-T174 VanDerWaalsContact O-N 3.16Å; S170-T174 PolarHBondContact O-OG1 2.87Å; N171-T174 PolarHBondContact O-N 2.83Å; L172-T174 PolarHBondContact O-N 3.42Å; T174-K178 WeakPolarHBondContact O-CB 3.28Å; T174-K178 PolarHBondContact O-N 3.43Å
175M59.6Low58.9Low75 Ų7585.3 Ų85.337%0.36944%0.438SS..Hα-helixtrans-70.4-45.1177.6-69.1-59.5-7200112.5N171 L172 K177 K178 Y179N171-M175 WeakPolarHBondContact O-CB 3.3Å; N171-M175 WeakPolarHBondContact O-CG 3.31Å; N171-M175 PolarHBondContact O-N 3.48Å; L172-M175 PolarHBondContact O-N 3.45Å; M175-K177 PolarHBondContact O-N 2.76Å; M175-K178 PolarHBondContact O-N 2.92Å; M175-Y179 HydrophobicContact CB-CD2 4.33Å; M175-Y179 HydrophobicContact CB-CE2 4.2Å; M175-Y179 HydrophobicContact CE-CE2 3.68Å; M175-Y179 WeakPolarHBondContact O-CB 3.34Å; M175-Y179 WeakPolarHBondContact O-CD2 3.49Å; M175-Y179 PolarHBondContact O-N 2.73Å
176S59.7Low59.8Low58 Ų5888 Ų8841%0.40645%0.453SS..Hα-helixtrans-63.8-40.4176.4-66.40000112.1L172 Y179 R180L172-S176 WeakPolarHBondContact O-CB 3.27Å; L172-S176 PolarHBondContact O-N 2.88Å; L172-S176 PolarHBondContact O-OG 3.43Å; S176-Y179 PolarHBondContact O-N 2.87Å; S176-R180 WeakPolarHBondContact O-CB 3.28Å; S176-R180 PolarHBondContact O-N 3.3Å
177K62.2Low60.9Low142 Ų14287.8 Ų87.862%0.61745%0.451SS*.Hα-helixtrans-65.3-42174.2-168173.7-174.7177.10111.2S173 M175 R180 Q181S173-K177 WeakPolarHBondContact O-CB 3.44Å; S173-K177 PolarHBondContact O-N 2.93Å; M175-K177 PolarHBondContact O-N 2.76Å; K177-R180 PolarHBondContact O-N 3.47Å; K177-Q181 WeakPolarHBondContact O-CG 3.14Å; K177-Q181 PolarHBondContact O-N 2.76Å
178K63.7Low62.1Low112 Ų11288.6 Ų88.649%0.48745%0.449SS..Hα-helixtrans-62.4-45.9174.4-172.4177.2-178.61770111.5T174 M175 R180 Q181 D182T174-K178 WeakPolarHBondContact O-CB 3.28Å; T174-K178 PolarHBondContact O-N 3.43Å; M175-K178 PolarHBondContact O-N 2.92Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 3.26Å; K178-Q181 WeakPolarHBondContact O-CB 3.32Å; K178-Q181 PolarHBondContact O-N 3.28Å; K178-D182 WeakPolarHBondContact O-CB 3.23Å; K178-D182 PolarHBondContact O-N 2.98Å
179Y59.8Low63.5Low91 Ų9185.5 Ų85.536%0.35744%0.442SS..Hα-helixtrans-64-36.3177.8-78.9-60.9000112.9L113 M175 S176 D182 A183L113-Y179 HydrophobicContact CD1-CD2 4.3Å; L113-Y179 HydrophobicContact CD1-CE1 4.08Å; L113-Y179 HydrophobicContact CD1-CE2 3.76Å; M175-Y179 HydrophobicContact CB-CD2 4.33Å; M175-Y179 HydrophobicContact CB-CE2 4.2Å; M175-Y179 HydrophobicContact CE-CE2 3.68Å; M175-Y179 WeakPolarHBondContact O-CB 3.34Å; M175-Y179 WeakPolarHBondContact O-CD2 3.49Å; M175-Y179 PolarHBondContact O-N 2.73Å; S176-Y179 PolarHBondContact O-N 2.87Å; Y179-D182 PolarHBondContact O-N 2.81Å; Y179-A183 WeakPolarHBondContact O-CB 3.34Å; Y179-A183 PolarHBondContact O-N 2.88Å
180R60.8Low64.7Low143 Ų14388.4 Ų88.454%0.5446%0.463SS..Hα-helixtrans-66.3-43.5173.4-178.6179.2179.1146.2-7.6112.2D22 S176 K177 K178 D182 A183 H184D22-R180 IonicContact OD1-CZ 3.47Å; D22-R180 IonicContact OD1-NH1 2.73Å; D22-R180 PolarHBondContact OD1-NH1 3.42Å; D22-R180 IonicContact OD2-CZ 3.58Å; D22-R180 IonicContact OD2-NH1 2.64Å; D22-R180 PolarHBondContact OD2-NH1 3.39Å; D22-R180 IonicContact OD2-NH2 3.85Å; D22-R180 PolarHBondContact OD2-NH2 2.95Å; S176-R180 WeakPolarHBondContact O-CB 3.28Å; S176-R180 PolarHBondContact O-N 3.3Å; K177-R180 PolarHBondContact O-N 3.47Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 3.26Å; R180-D182 VanDerWaalsContact C-N 3.31Å; R180-A183 PolarHBondContact O-N 2.85Å; R180-H184 WeakPolarHBondContact O-CB 3.4Å; R180-H184 PolarHBondContact O-N 3.11Å
181Q64.1Low66.2Low117 Ų11787.1 Ų87.155%0.54746%0.455SS..Hα-helixtrans-61.5-43.5174.2-73.9176.6-9.100110.5K177 K178 H184 S185K177-Q181 WeakPolarHBondContact O-CG 3.14Å; K177-Q181 PolarHBondContact O-N 2.76Å; K178-Q181 WeakPolarHBondContact O-CB 3.32Å; K178-Q181 PolarHBondContact O-N 3.28Å; Q181-H184 PolarHBondContact O-N 3.24Å; Q181-S185 VanDerWaalsContact O-CB 3.28Å; Q181-S185 WeakPolarHBondContact O-CB 3.47Å; Q181-S185 PolarHBondContact O-N 2.87Å; Q181-S185 PolarHBondContact O-OG 2.88Å
182D66Low67.7Low63 Ų6389.6 Ų89.634%0.33746%0.458SS..Hα-helixtrans-62.9-47.1177.9-68.2-14.8000110.6K178 Y179 R180 H184 S185 L186K178-D182 WeakPolarHBondContact O-CB 3.23Å; K178-D182 PolarHBondContact O-N 2.98Å; Y179-D182 PolarHBondContact O-N 2.81Å; R180-D182 VanDerWaalsContact C-N 3.31Å; D182-H184 PolarHBondContact O-N 3.41Å; D182-S185 WeakPolarHBondContact CA-OG 3.29Å; D182-S185 CarbonylContact O-C 3.55Å; D182-S185 PolarHBondContact O-N 3.29Å; D182-S185 VanDerWaalsContact O-N 3.16Å; D182-S185 PolarHBondContact O-OG 2.89Å; D182-L186 WeakPolarHBondContact O-CB 3.38Å; D182-L186 VanDerWaalsContact O-CG 3.26Å; D182-L186 WeakPolarHBondContact O-CG 3.49Å; D182-L186 PolarHBondContact O-N 3.42Å
183A65.6Low69.3Low59 Ų5991.8 Ų91.849%0.48847%0.473SS..Hα-helixtrans-61.6-42177.200000112.7Y179 R180 L186 N187Y179-A183 WeakPolarHBondContact O-CB 3.34Å; Y179-A183 PolarHBondContact O-N 2.88Å; R180-A183 PolarHBondContact O-N 2.85Å; A183-L186 PolarHBondContact O-N 2.97Å; A183-N187 PolarHBondContact O-N 3.34Å; A183-N187 VanDerWaalsContact O-N 3.08Å
184H66.3Low70.7Confident123 Ų12397.2 Ų97.257%0.56949%0.491SS*.Hα-helixtrans-66-40.3174.8-168.7-89.3000111.4R180 Q181 D182 N187 L188R180-H184 WeakPolarHBondContact O-CB 3.4Å; R180-H184 PolarHBondContact O-N 3.11Å; Q181-H184 PolarHBondContact O-N 3.24Å; D182-H184 PolarHBondContact O-N 3.41Å; H184-N187 PolarHBondContact O-N 3.37Å; H184-L188 WeakPolarHBondContact ND1-CD1 3.18Å; H184-L188 WeakPolarHBondContact O-CG 3.27Å; H184-L188 PolarHBondContact O-N 3.46Å
185S71.5Confident72.2Confident52 Ų52101.1 Ų101.136%0.36450%0.498SS..Hα-helixtrans-66-36.217779.30000112.4Q181 D182 L188 Q189Q181-S185 VanDerWaalsContact O-CB 3.28Å; Q181-S185 WeakPolarHBondContact O-CB 3.47Å; Q181-S185 PolarHBondContact O-N 2.87Å; Q181-S185 PolarHBondContact O-OG 2.88Å; D182-S185 WeakPolarHBondContact CA-OG 3.29Å; D182-S185 CarbonylContact O-C 3.55Å; D182-S185 PolarHBondContact O-N 3.29Å; D182-S185 VanDerWaalsContact O-N 3.16Å; D182-S185 PolarHBondContact O-OG 2.89Å; S185-L188 PolarHBondContact O-N 3.47Å; S185-Q189 VanDerWaalsContact O-CB 3.31Å; S185-Q189 WeakPolarHBondContact O-CB 3.47Å; S185-Q189 PolarHBondContact O-N 3.43Å
186L72.6Confident73.9Confident98 Ų98100.9 Ų100.951%0.51350%0.497SS..Hα-helixtrans-69.7-36.7176.2-72.5171.7000111.7D182 A183 Q189 S190D182-L186 WeakPolarHBondContact O-CB 3.38Å; D182-L186 VanDerWaalsContact O-CG 3.26Å; D182-L186 WeakPolarHBondContact O-CG 3.49Å; D182-L186 PolarHBondContact O-N 3.42Å; A183-L186 PolarHBondContact O-N 2.97Å; L186-Q189 PolarHBondContact O-N 3.25Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.47Å; L186-S190 PolarHBondContact O-OG 3.25Å
187N75.8Confident75.5Confident117 Ų117103.6 Ų103.663%0.62651%0.507SS*.Hα-helixtrans-67.8-41.6174.1-159.98.2000111.1A183 H184 S190 A191A183-N187 PolarHBondContact O-N 3.34Å; A183-N187 VanDerWaalsContact O-N 3.08Å; H184-N187 PolarHBondContact O-N 3.37Å; N187-S190 PolarHBondContact O-N 3.34Å; N187-A191 PolarHBondContact O-N 3.09Å
188L76.4Confident77Confident102 Ų102102.8 Ų102.853%0.53450%0.503SS..Hα-helixtrans-62.2-42.3171.9-77.9169000112.4H184 S185 S190 A191 Y192H184-L188 WeakPolarHBondContact ND1-CD1 3.18Å; H184-L188 WeakPolarHBondContact O-CG 3.27Å; H184-L188 PolarHBondContact O-N 3.46Å; S185-L188 PolarHBondContact O-N 3.47Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 2.98Å; L188-A191 WeakPolarHBondContact O-CB 3.45Å; L188-A191 PolarHBondContact O-N 3.28Å; L188-Y192 WeakPolarHBondContact O-CB 3.46Å; L188-Y192 PolarHBondContact O-N 3.5Å
189Q77.8Confident78.5Confident120 Ų120101.1 Ų101.156%0.56151%0.505SS*.Hα-helixtrans-63.7-42.2177.8-170.2178.69.800110.7S185 L186 A191 Y192 V193S185-Q189 VanDerWaalsContact O-CB 3.31Å; S185-Q189 WeakPolarHBondContact O-CB 3.47Å; S185-Q189 PolarHBondContact O-N 3.43Å; L186-Q189 PolarHBondContact O-N 3.25Å; Q189-A191 VanDerWaalsContact C-N 3.31Å; Q189-A191 PolarHBondContact O-N 2.93Å; Q189-Y192 PolarHBondContact O-N 3.18Å; Q189-V193 VanDerWaalsContact O-CG2 3.3Å; Q189-V193 WeakPolarHBondContact O-CG2 3.41Å; Q189-V193 PolarHBondContact O-N 3.19Å
190S76.2Confident80.2Confident65 Ų65101.4 Ų101.446%0.45551%0.512SS..Hα-helixtrans-63-36.9175.1-61.10000112.1L186 N187 L188 K194L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.47Å; L186-S190 PolarHBondContact O-OG 3.25Å; N187-S190 PolarHBondContact O-N 3.34Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 2.98Å; S190-K194 VanDerWaalsContact O-CG 3.3Å; S190-K194 WeakPolarHBondContact O-CG 3.25Å; S190-K194 PolarHBondContact O-N 3Å
191A83.6Confident81.8Confident37 Ų3799.8 Ų99.831%0.30651%0.513SS..Hα-helixtrans-67.9-46.2173.400000111.7N187 L188 Q189 V193 K194 Y195N187-A191 PolarHBondContact O-N 3.09Å; L188-A191 WeakPolarHBondContact O-CB 3.45Å; L188-A191 PolarHBondContact O-N 3.28Å; Q189-A191 VanDerWaalsContact C-N 3.31Å; Q189-A191 PolarHBondContact O-N 2.93Å; A191-V193 PolarHBondContact O-N 2.93Å; A191-K194 WeakPolarHBondContact O-CB 3.33Å; A191-K194 PolarHBondContact O-N 3.16Å; A191-K194 VanDerWaalsContact O-N 3.15Å; A191-Y195 WeakPolarHBondContact O-CD2 3.38Å; A191-Y195 PolarHBondContact O-N 3.35Å
192Y87.1Confident83.3Confident157 Ų15797.2 Ų97.262%0.61650%0.503SS*.Hα-helixtrans-60.9-42.4179.7-174.1-107.6000112.3L188 Q189 K194 Y195 I196L188-Y192 WeakPolarHBondContact O-CB 3.46Å; L188-Y192 PolarHBondContact O-N 3.5Å; Q189-Y192 PolarHBondContact O-N 3.18Å; Y192-K194 VanDerWaalsContact C-N 3.33Å; Y192-K194 PolarHBondContact O-N 2.95Å; Y192-Y195 PolarHBondContact O-N 3.23Å; Y192-I196 HydrophobicContact CD1-CD1 3.59Å; Y192-I196 HydrophobicContact CD1-CG1 4.39Å; Y192-I196 HydrophobicContact CE1-CD1 3.11Å; Y192-I196 HydrophobicContact CE1-CG1 4.07Å; Y192-I196 HydrophobicContact CE2-CD1 4.4Å; Y192-I196 HydrophobicContact CG-CD1 4.41Å; Y192-I196 PolarHBondContact O-N 3.09Å
193V86.7Confident84.7Confident75 Ų7599.6 Ų99.646%0.45551%0.514SS..Hα-helixtrans-61.3-40.7174.9171.50000111.4Q189 A191 I196 L197Q189-V193 VanDerWaalsContact O-CG2 3.3Å; Q189-V193 WeakPolarHBondContact O-CG2 3.41Å; Q189-V193 PolarHBondContact O-N 3.19Å; A191-V193 PolarHBondContact O-N 2.93Å; V193-I196 PolarHBondContact O-N 3.48Å; V193-L197 HydrophobicContact CG1-CD1 4.21Å; V193-L197 PolarHBondContact O-N 3.06Å; V193-L197 VanDerWaalsContact O-N 3.09Å
194K89.6Confident86.2Confident153 Ų153101 Ų10167%0.66552%0.517SS*.Hα-helixtrans-63.7-41.4174.9-70.6171.4-176.6178.60112.1S190 A191 Y192 L197 F198S190-K194 VanDerWaalsContact O-CG 3.3Å; S190-K194 WeakPolarHBondContact O-CG 3.25Å; S190-K194 PolarHBondContact O-N 3Å; A191-K194 WeakPolarHBondContact O-CB 3.33Å; A191-K194 PolarHBondContact O-N 3.16Å; A191-K194 VanDerWaalsContact O-N 3.15Å; Y192-K194 VanDerWaalsContact C-N 3.33Å; Y192-K194 PolarHBondContact O-N 2.95Å; K194-L197 PolarHBondContact O-N 2.6Å; K194-F198 PolarHBondContact O-N 3.23Å; K194-F198 VanDerWaalsContact O-N 3.12Å
195Y91.9Very high87.5Confident165 Ų16598.2 Ų98.265%0.64751%0.509SS*.Hα-helixtrans-65.1-43176.2-81.9-71.3000112.6A191 Y192 L197 F198 C199A191-Y195 WeakPolarHBondContact O-CD2 3.38Å; A191-Y195 PolarHBondContact O-N 3.35Å; Y192-Y195 PolarHBondContact O-N 3.23Å; Y195-L197 PolarHBondContact O-N 3.12Å; Y195-F198 WeakPolarHBondContact O-CB 3.5Å; Y195-F198 PolarHBondContact O-N 3Å; Y195-C199 PolarHBondContact O-N 2.79Å; Y195-C199 PolarHBondContact O-SG 2.97Å; Y195-C199 VanDerWaalsContact O-SG 3.37Å
196I93.6Very high88.6Confident70 Ų70102.8 Ų102.836%0.35952%0.522SS..Hα-helixtrans-59.9-46.7176.1-73171.7000111Y192 V193 F198 C199 I200Y192-I196 HydrophobicContact CD1-CD1 3.59Å; Y192-I196 HydrophobicContact CD1-CG1 4.39Å; Y192-I196 HydrophobicContact CE1-CD1 3.11Å; Y192-I196 HydrophobicContact CE1-CG1 4.07Å; Y192-I196 HydrophobicContact CE2-CD1 4.4Å; Y192-I196 HydrophobicContact CG-CD1 4.41Å; Y192-I196 PolarHBondContact O-N 3.09Å; V193-I196 PolarHBondContact O-N 3.48Å; I196-F198 VanDerWaalsContact C-N 3.27Å; I196-F198 PolarHBondContact O-N 2.79Å; I196-C199 PolarHBondContact O-N 2.74Å; I196-I200 HydrophobicContact CG2-CD1 3.77Å; I196-I200 HydrophobicContact CG2-CG1 4.33Å; I196-I200 WeakPolarHBondContact O-CG1 3.42Å; I196-I200 PolarHBondContact O-N 3.41Å
197L93.4Very high89.7Confident114 Ų114101.1 Ų101.160%0.59752%0.516SS*.Hα-helixtrans-57.5-41.1177.2-89.1158.7000111.8V193 K194 Y195 L201V193-L197 HydrophobicContact CG1-CD1 4.21Å; V193-L197 PolarHBondContact O-N 3.06Å; V193-L197 VanDerWaalsContact O-N 3.09Å; K194-L197 PolarHBondContact O-N 2.6Å; Y195-L197 PolarHBondContact O-N 3.12Å; L197-L201 PolarHBondContact O-N 3.02Å; L197-L201 VanDerWaalsContact O-N 3.16Å
198F94.3Very high90.6Very high125 Ų125101.9 Ų101.955%0.54851%0.511SS..Hα-helixtrans-65.9-43175.8-171.6-106.2000112.6K194 Y195 I196 I200 L201 I202K194-F198 PolarHBondContact O-N 3.23Å; K194-F198 VanDerWaalsContact O-N 3.12Å; Y195-F198 WeakPolarHBondContact O-CB 3.5Å; Y195-F198 PolarHBondContact O-N 3Å; I196-F198 VanDerWaalsContact C-N 3.27Å; I196-F198 PolarHBondContact O-N 2.79Å; F198-I200 PolarHBondContact O-N 2.94Å; F198-L201 PolarHBondContact O-N 2.92Å; F198-I202 HydrophobicContact CD1-CD1 3.68Å; F198-I202 HydrophobicContact CD1-CG1 4.49Å; F198-I202 HydrophobicContact CE1-CD1 3.27Å; F198-I202 HydrophobicContact CE1-CG1 4.26Å; F198-I202 HydrophobicContact CZ-CD1 3.82Å; F198-I202 HydrophobicContact CZ-CG1 4.47Å; F198-I202 WeakPolarHBondContact O-CG1 3.19Å; F198-I202 PolarHBondContact O-N 2.86Å
199C94.6Very high91.4Very high77 Ų77102.4 Ų102.452%0.5251%0.509SS..Hα-helixtrans-62.9-40.9176.4-70.80000112.7Y195 I196 L201 I202 L203Y195-C199 PolarHBondContact O-N 2.79Å; Y195-C199 PolarHBondContact O-SG 2.97Å; Y195-C199 VanDerWaalsContact O-SG 3.37Å; I196-C199 PolarHBondContact O-N 2.74Å; C199-L201 VanDerWaalsContact C-N 3.33Å; C199-I202 PolarHBondContact O-N 2.99Å; C199-L203 WeakPolarHBondContact O-CB 3.46Å; C199-L203 PolarHBondContact O-N 3.17Å
200I95.6Very high92.2Very high97 Ų97104.1 Ų104.150%0.49751%0.512SS..Hα-helixtrans-61.6-44.2175.8-68.3169.1000110.1I196 F198 I202 L203 V204I196-I200 HydrophobicContact CG2-CD1 3.77Å; I196-I200 HydrophobicContact CG2-CG1 4.33Å; I196-I200 WeakPolarHBondContact O-CG1 3.42Å; I196-I200 PolarHBondContact O-N 3.41Å; F198-I200 PolarHBondContact O-N 2.94Å; I200-I202 PolarHBondContact O-N 2.66Å; I200-L203 PolarHBondContact O-N 2.91Å; I200-V204 HydrophobicContact CG2-CG2 4.47Å; I200-V204 WeakPolarHBondContact O-CG2 3.44Å; I200-V204 PolarHBondContact O-N 3.07Å
201L95.5Very high93.1Very high110 Ų110107.2 Ų107.258%0.57652%0.522SS*.Hα-helixtrans-61.8-42.9177.8-171.5142.5000111.7L197 F198 C199 V204 V205L197-L201 PolarHBondContact O-N 3.02Å; L197-L201 VanDerWaalsContact O-N 3.16Å; F198-L201 PolarHBondContact O-N 2.92Å; C199-L201 VanDerWaalsContact C-N 3.33Å; L201-V204 PolarHBondContact O-N 3.12Å; L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 2.74Å; L201-V205 VanDerWaalsContact O-N 3.09Å
202I95.3Very high93.4Very high63 Ų63113.3 Ų113.332%0.32354%0.537SS..Hα-helixtrans-60.7-46.4174.3-74.6176.5000111.3F198 C199 I200 V204 V205 F206F198-I202 HydrophobicContact CD1-CD1 3.68Å; F198-I202 HydrophobicContact CD1-CG1 4.49Å; F198-I202 HydrophobicContact CE1-CD1 3.27Å; F198-I202 HydrophobicContact CE1-CG1 4.26Å; F198-I202 HydrophobicContact CZ-CD1 3.82Å; F198-I202 HydrophobicContact CZ-CG1 4.47Å; F198-I202 WeakPolarHBondContact O-CG1 3.19Å; F198-I202 PolarHBondContact O-N 2.86Å; C199-I202 PolarHBondContact O-N 2.99Å; I200-I202 PolarHBondContact O-N 2.66Å; I202-V204 PolarHBondContact O-N 3.12Å; I202-V205 PolarHBondContact O-N 2.67Å; I202-F206 HydrophobicContact CG2-CD2 3.46Å; I202-F206 VanDerWaalsContact CG2-CD2 3.46Å; I202-F206 HydrophobicContact CG2-CE2 3.5Å; I202-F206 VanDerWaalsContact O-CD2 3.32Å; I202-F206 WeakPolarHBondContact O-CD2 3.45Å; I202-F206 PolarHBondContact O-N 3.33Å
203L96Very high93.5Very high112 Ų112114.3 Ų114.359%0.58655%0.545SS*.Hα-helixtrans-62.9-42.8-178.5-166.1157.1000111.2C199 I200 V205 F206 T207C199-L203 WeakPolarHBondContact O-CB 3.46Å; C199-L203 PolarHBondContact O-N 3.17Å; I200-L203 PolarHBondContact O-N 2.91Å; L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 3.41Å; L203-F206 PolarHBondContact O-N 2.99Å; L203-T207 HydrophobicContact CD2-CG2 3.77Å; L203-T207 WeakPolarHBondContact O-CG2 3.45Å; L203-T207 PolarHBondContact O-N 3.07Å; L203-T207 PolarHBondContact O-OG1 3.04Å; L203-T207 VanDerWaalsContact O-OG1 3.07Å
204V95.7Very high92.9Very high88 Ų88119.1 Ų119.153%0.53357%0.567SS.*Hα-helixtrans-60.7-39.8175.1171.90000111.7I200 L201 I202 T207 Y208I200-V204 HydrophobicContact CG2-CG2 4.47Å; I200-V204 WeakPolarHBondContact O-CG2 3.44Å; I200-V204 PolarHBondContact O-N 3.07Å; L201-V204 PolarHBondContact O-N 3.12Å; I202-V204 PolarHBondContact O-N 3.12Å; V204-T207 WeakPolarHBondContact CA-OG1 3.31Å; V204-T207 PolarHBondContact O-OG1 3.07Å; V204-T207 VanDerWaalsContact O-OG1 3.04Å; V204-Y208 WeakPolarHBondContact O-CB 3.31Å; V204-Y208 PolarHBondContact O-N 3.39Å; V204-Y208 VanDerWaalsContact O-N 3.07Å
205V94.6Very high93.1Very high66 Ų66117.4 Ų117.440%0.456%0.562SS.*Hα-helixtrans-65.9-46.3175.2171.80000110.8L201 I202 L203 Y208 F209L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 2.74Å; L201-V205 VanDerWaalsContact O-N 3.09Å; I202-V205 PolarHBondContact O-N 2.67Å; L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 3.41Å; V205-Y208 PolarHBondContact O-N 2.98Å; V205-F209 HydrophobicContact CG1-CD2 3.7Å; V205-F209 HydrophobicContact CG1-CE2 3.67Å; V205-F209 VanDerWaalsContact O-CD2 3.25Å; V205-F209 WeakPolarHBondContact O-CD2 3.36Å; V205-F209 PolarHBondContact O-N 3.25Å
206F95Very high93.1Very high147 Ų147114.9 Ų114.965%0.64556%0.557SS**Hα-helixtrans-63-42.2178.3-89-72000113I202 L203 F209 Y210I202-F206 HydrophobicContact CG2-CD2 3.46Å; I202-F206 VanDerWaalsContact CG2-CD2 3.46Å; I202-F206 HydrophobicContact CG2-CE2 3.5Å; I202-F206 VanDerWaalsContact O-CD2 3.32Å; I202-F206 WeakPolarHBondContact O-CD2 3.45Å; I202-F206 PolarHBondContact O-N 3.33Å; L203-F206 PolarHBondContact O-N 2.99Å; F206-F209 PolarHBondContact O-N 2.96Å; F206-Y210 WeakPolarHBondContact O-CB 3.46Å; F206-Y210 PolarHBondContact O-N 3.25Å
207T94.1Very high93.1Very high63 Ų63117.4 Ų117.439%0.38757%0.568SS.*Hα-helixtrans-66.5-38.4177.251.30000111.6L203 V204 Y210 I211L203-T207 HydrophobicContact CD2-CG2 3.77Å; L203-T207 WeakPolarHBondContact O-CG2 3.45Å; L203-T207 PolarHBondContact O-N 3.07Å; L203-T207 PolarHBondContact O-OG1 3.04Å; L203-T207 VanDerWaalsContact O-OG1 3.07Å; V204-T207 WeakPolarHBondContact CA-OG1 3.31Å; V204-T207 PolarHBondContact O-OG1 3.07Å; V204-T207 VanDerWaalsContact O-OG1 3.04Å; T207-Y210 PolarHBondContact O-N 3.15Å; T207-I211 VanDerWaalsContact O-CG1 3.31Å; T207-I211 WeakPolarHBondContact O-CG1 3.32Å; T207-I211 PolarHBondContact O-N 3.05Å
208Y94.8Very high93.1Very high134 Ų134117.6 Ų117.653%0.52557%0.567SS.*Hα-helixtrans-60-46.2172.4174.7-95.4000112.1V204 V205 R212V204-Y208 WeakPolarHBondContact O-CB 3.31Å; V204-Y208 PolarHBondContact O-N 3.39Å; V204-Y208 VanDerWaalsContact O-N 3.07Å; V205-Y208 PolarHBondContact O-N 2.98Å; Y208-R212 VanDerWaalsContact O-CB 3.31Å; Y208-R212 WeakPolarHBondContact O-CB 3.33Å; Y208-R212 PolarHBondContact O-N 3.49Å; Y208-R212 VanDerWaalsContact O-N 3.12Å; Y208-R212 PolarHBondContact OH-NH1 2.87Å
209F94.6Very high93Very high112 Ų112117.1 Ų117.149%0.49157%0.568SS.*Hα-helixtrans-65.1-40.9176.5-86.4-73.2000112.6V205 F206 R212 F213V205-F209 HydrophobicContact CG1-CD2 3.7Å; V205-F209 HydrophobicContact CG1-CE2 3.67Å; V205-F209 VanDerWaalsContact O-CD2 3.25Å; V205-F209 WeakPolarHBondContact O-CD2 3.36Å; V205-F209 PolarHBondContact O-N 3.25Å; F206-F209 PolarHBondContact O-N 2.96Å; F209-R212 PolarHBondContact O-N 3.14Å; F209-F213 PolarHBondContact O-N 2.97Å; F209-F213 VanDerWaalsContact O-N 3.12Å
210Y94.1Very high92.9Very high156 Ų156119.8 Ų119.861%0.61257%0.571SS**Hα-helixtrans-62.6-45.6178.5-176.6-94.2000112.1F206 T207 R212 L214F206-Y210 WeakPolarHBondContact O-CB 3.46Å; F206-Y210 PolarHBondContact O-N 3.25Å; T207-Y210 PolarHBondContact O-N 3.15Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.15Å; Y210-L214 HydrophobicContact CE1-CD2 4.28Å; Y210-L214 WeakPolarHBondContact O-CB 3.23Å; Y210-L214 PolarHBondContact O-N 3.22Å
211I94Very high92.7Very high130 Ų130121.4 Ų121.467%0.66758%0.576SS**Hα-helixtrans-67.3-29.9177.9-67.4168.1000111.7T207T207-I211 VanDerWaalsContact O-CG1 3.31Å; T207-I211 WeakPolarHBondContact O-CG1 3.32Å; T207-I211 PolarHBondContact O-N 3.05Å
212R91.5Very high92.5Very high166 Ų166122.3 Ų122.363%0.62658%0.576SS**Hα-helixtrans-80.9-26.7-177.7-174.6175.4174.1177.8-4113.9Y208 F209 Y210Y208-R212 VanDerWaalsContact O-CB 3.31Å; Y208-R212 WeakPolarHBondContact O-CB 3.33Å; Y208-R212 PolarHBondContact O-N 3.49Å; Y208-R212 VanDerWaalsContact O-N 3.12Å; Y208-R212 PolarHBondContact OH-NH1 2.87Å; F209-R212 PolarHBondContact O-N 3.14Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.15Å
213F87.7Confident92.2Very high177 Ų177127.3 Ų127.378%0.77660%0.598SS**Hα-helixtrans-106.6-7.7-174.7-100.8-85.6000115F209F209-F213 PolarHBondContact O-N 2.97Å; F209-F213 VanDerWaalsContact O-N 3.12Å
214L74.7Confident91.9Very high176 Ų176128.6 Ų128.692%0.92160%0.599SS**  trans-91.90169.2-155.189.7000110.2Y210Y210-L214 HydrophobicContact CE1-CD2 4.28Å; Y210-L214 WeakPolarHBondContact O-CB 3.23Å; Y210-L214 PolarHBondContact O-N 3.22Å

Retrieved 214 of 214 residues in 379.2 ms (Link to these results)

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