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Cytoplasmic tRNA 2-thiolation protein 1

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of tRNA(Lys), tRNA(Glu) and tRNA(Gln). Directly binds tRNAs and probably acts by catalyzing adenylation of tRNAs, an intermediate required for 2-thiolation. It is unclear whether it acts as a sulfurtransferase that transfers sulfur from thiocarboxylated URM1 onto the uridine of tRNAs at wobble position.

AlphaFold DB , UniProt , Accession G4VB67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M72.7Confident92.5Very high230 Ų23095.7 Ų95.7100%1.13350%0.504SS*.  0140.70-68.8177.1-170.900108.6V3M1-V3 PolarHBondContact O-N 2.99Å
2P82.8Confident92.7Very high91 Ų9189.3 Ų89.359%0.59148%0.478SS*.PPolyproline II helixtrans-61.4135.2173.926.5-32.1000109.2L4P2-L4 PolarHBondContact O-N 2.94Å
3V91.4Very high92.7Very high92 Ų9293.1 Ų93.156%0.55848%0.483SS*.PPolyproline II helixtrans-71.3130.1177.2-1620000108.6M1 G12 I22M1-V3 PolarHBondContact O-N 2.99Å; V3-G12 VanDerWaalsContact O-CA 3.3Å; V3-G12 WeakPolarHBondContact O-CA 3.43Å; V3-G12 PolarHBondContact O-N 3.21Å; V3-I22 HydrophobicContact CB-CD1 4.07Å; V3-I22 HydrophobicContact CB-CG2 4.32Å; V3-I22 HydrophobicContact CG1-CB 4.26Å; V3-I22 HydrophobicContact CG1-CD1 3.28Å; V3-I22 HydrophobicContact CG1-CG1 4.34Å; V3-I22 HydrophobicContact CG1-CG2 4.03Å; V3-I22 HydrophobicContact CG2-CD1 4.49Å
4L96.6Very high92.8Very high80 Ų8087.9 Ų87.942%0.41946%0.456SS..BIsolated β-bridgetrans-90152.4-174-57.6-178.6000111.4P2 C6 S10P2-L4 PolarHBondContact O-N 2.94Å; L4-C6 PolarHBondContact O-N 2.92Å; L4-S10 CarbonylContact C-O 3.53Å; L4-S10 WeakPolarHBondContact CA-O 3.22Å
5C97.4Very high93Very high0 Ų090.3 Ų90.30%046%0.461CS..PPolyproline II helixtrans-62.8122.6169.5175.20000109.3R7 C8 Q9 S10 I22 C24C5-R7 PolarHBondContact O-N 3.01Å; C5-R7 PolarHBondContact SG-N 3.13Å; C5-C8 VanDerWaalsContact SG-SG 3.62Å; C5-Q9 VanDerWaalsContact O-CA 3.31Å; C5-Q9 WeakPolarHBondContact O-CA 3.38Å; C5-Q9 PolarHBondContact O-N 2.97Å; C5-S10 WeakPolarHBondContact CB-O 3.5Å; C5-S10 PolarHBondContact N-O 3.13Å; C5-I22 CarbonylContact C-O 3.47Å; C5-I22 WeakPolarHBondContact CA-O 3.25Å; C5-C24 HydrophobicContact CB-CB 4.03Å; C5-C24 PolarHBondContact SG-N 3.46Å
6C96.7Very high93.1Very high63 Ų6385 Ų8543%0.42643%0.434SS..THydrogen-bonded Turntrans-61.1-18.8-179.263.90000113.8L4 I22L4-C6 PolarHBondContact O-N 2.92Å; C6-I22 PolarHBondContact N-O 2.94Å; C6-I22 PolarHBondContact SG-O 2.84Å; C6-I22 VanDerWaalsContact SG-O 3.36Å
7R95.8Very high92.9Very high103 Ų10381.2 Ų81.239%0.38942%0.416SS..THydrogen-bonded Turntrans-98.9-44.1-175.8-172175.4176.5-160.20.7114.5C5 C27 W30 C31C5-R7 PolarHBondContact O-N 3.01Å; C5-R7 PolarHBondContact SG-N 3.13Å; R7-C27 HydrophobicContact CB-CB 4.28Å; R7-W30 VanDerWaalsContact NH2-CD2 3.28Å; R7-W30 VanDerWaalsContact NH2-CZ2 3.28Å; R7-C31 PolarHBondContact NH1-SG 2.84Å; R7-C31 VanDerWaalsContact NH1-SG 3.44Å
8C96.9Very high92.5Very high63 Ų6379.7 Ų79.743%0.42641%0.406SS..THydrogen-bonded Turntrans-120.43.3-175.768.60000114.3C5 S10 C24 C27C5-C8 VanDerWaalsContact SG-SG 3.62Å; C8-S10 PolarHBondContact O-N 3.39Å; C8-S10 PolarHBondContact SG-OG 3.17Å; C8-C24 VanDerWaalsContact SG-SG 3.66Å; C8-C27 PolarHBondContact SG-SG 3.05Å
9Q96Very high92.4Very high121 Ų12178.9 Ų78.957%0.56541%0.405SS*.  trans62.36.5-180-54-60.7-41.900115.7C5C5-Q9 VanDerWaalsContact O-CA 3.31Å; C5-Q9 WeakPolarHBondContact O-CA 3.38Å; C5-Q9 PolarHBondContact O-N 2.97Å
10S96Very high92.3Very high46 Ų4678 Ų7832%0.32241%0.406SS..SBendtrans-71.1178.7170.573.40000111.9L4 C5 C8 G12 C24L4-S10 CarbonylContact C-O 3.53Å; L4-S10 WeakPolarHBondContact CA-O 3.22Å; C5-S10 WeakPolarHBondContact CB-O 3.5Å; C5-S10 PolarHBondContact N-O 3.13Å; C8-S10 PolarHBondContact O-N 3.39Å; C8-S10 PolarHBondContact SG-OG 3.17Å; S10-G12 PolarHBondContact O-N 3.22Å; S10-C24 WeakPolarHBondContact OG-CB 3.2Å
11K95.7Very high92.4Very high164 Ų16477.1 Ų77.171%0.71340%0.402SS*.BIsolated β-bridgetrans-61122.1177.4-173.4178.5178.3-178.70110.6
12G94.6Very high93.6Very high19 Ų1968.6 Ų68.620%0.19636%0.361CS..  trans-60.4138172.600000111.2V3 S10V3-G12 VanDerWaalsContact O-CA 3.3Å; V3-G12 WeakPolarHBondContact O-CA 3.43Å; V3-G12 PolarHBondContact O-N 3.21Å; S10-G12 PolarHBondContact O-N 3.22Å
13Y93.1Very high94.3Very high138 Ų13864.7 Ų64.754%0.54134%0.335SS..  trans-116.9-41.4-178.6-179.9-102.2000111.6M23 K25 M221Y13-M23 PolarHBondContact N-O 2.58Å; Y13-K25 HydrophobicContact CD1-CB 4.37Å; Y13-M221 HydrophobicContact CD1-CE 4.23Å; Y13-M221 HydrophobicContact CE1-CE 4.32Å; Y13-M221 HydrophobicContact CE1-CG 4.02Å; Y13-M221 HydrophobicContact CE1-SD 4.3Å
14I94.2Very high94.5Very high20 Ų2060.6 Ų60.610%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-135.6146.4-172.8-157162.6000111.6I22 M23 F28 M217 M221I14-I22 CarbonylContact O-C 3.48Å; I14-I22 WeakPolarHBondContact O-CA 3.38Å; I14-M23 HydrophobicContact CG2-CB 4.41Å; I14-M23 PolarHBondContact N-O 3.49Å; I14-M23 PolarHBondContact O-N 3.32Å; I14-F28 HydrophobicContact CG2-CB 3.85Å; I14-F28 HydrophobicContact CG2-CD2 3.98Å; I14-F28 HydrophobicContact CG2-CG 3.92Å; I14-M217 HydrophobicContact CD1-CB 3.54Å; I14-M217 HydrophobicContact CD1-CE 4.19Å; I14-M217 HydrophobicContact CD1-CG 3.47Å; I14-M217 VanDerWaalsContact CD1-CG 3.47Å; I14-M217 HydrophobicContact CD1-SD 3.33Å; I14-M217 WeakPolarHBondContact CD1-SD 3.49Å; I14-M217 HydrophobicContact CG1-CE 4.27Å; I14-M217 HydrophobicContact CG1-SD 3.88Å; I14-M221 HydrophobicContact CD1-SD 3.97Å
15K94.6Very high94.5Very high124 Ų12460.5 Ų60.554%0.53931%0.306SS..EExtended strand (participates in β ladder)trans-102.6119.4169.9-171.3-178.4-178.5-179.80108.9S20 D21 I22K15-S20 VanDerWaalsContact CE-CB 3.47Å; K15-S20 WeakPolarHBondContact CE-O 3.37Å; K15-D21 CarbonylContact C-O 3.54Å; K15-D21 WeakPolarHBondContact CA-O 3.11Å; K15-I22 HydrophobicContact CB-CG1 4.24Å; K15-I22 HydrophobicContact CG-CG1 4.13Å
16R94.5Very high94.5Very high6 Ų666.5 Ų66.52%0.02333%0.334CS..  trans-67.5127.3179.6-66.9-167.868-173.63110.4K18 S20 D21 M23 F28 E35 E214R16-K18 VanDerWaalsContact C-N 3.3Å; R16-K18 PolarHBondContact O-N 2.95Å; R16-S20 WeakPolarHBondContact O-CA 3.39Å; R16-S20 PolarHBondContact O-N 3.49Å; R16-D21 PolarHBondContact N-O 2.94Å; R16-M23 HydrophobicContact CG-SD 4.41Å; R16-F28 HydrophobicContact CG-CD2 4.03Å; R16-F28 HydrophobicContact CG-CE2 4.38Å; R16-E35 IonicContact CZ-OE1 3.73Å; R16-E35 IonicContact NH1-OE1 2.69Å; R16-E35 PolarHBondContact NH1-OE1 3.02Å; R16-E35 VanDerWaalsContact NH2-CD 3.29Å; R16-E35 IonicContact NH2-OE1 3.21Å; R16-E35 PolarHBondContact NH2-OE1 3.24Å; R16-E35 IonicContact NH2-OE2 3.04Å; R16-E35 PolarHBondContact NH2-OE2 3.27Å; R16-E35 VanDerWaalsContact NH2-OE2 3.1Å; R16-E214 IonicContact CZ-OE1 3.79Å; R16-E214 IonicContact NE-OE1 3.37Å; R16-E214 PolarHBondContact NE-OE1 2.89Å; R16-E214 IonicContact NH2-OE1 3.39Å; R16-E214 PolarHBondContact NH2-OE1 2.59Å; R16-E214 VanDerWaalsContact NH2-OE1 3.13Å; R16-E214 IonicContact NH2-OE2 3.64Å; R16-E214 PolarHBondContact NH2-OE2 2.73Å
17P90.9Very high94.5Very high20 Ų2064.2 Ų64.213%0.1332%0.319CS..THydrogen-bonded Turntrans-65.2-34.617925.8-33.7000112.2Y211 K213 E214 P254P17-Y211 HydrophobicContact CB-CD1 4.46Å; P17-Y211 HydrophobicContact CG-CD1 4.46Å; P17-K213 HydrophobicContact CB-CB 4.46Å; P17-K213 HydrophobicContact CB-CD 4.23Å; P17-K213 HydrophobicContact CG-CB 3.93Å; P17-E214 HydrophobicContact CG-CG 3.57Å; P17-P254 WeakPolarHBondContact O-CB 3.06Å
18K86.1Confident94.6Very high55 Ų5559.3 Ų59.324%0.23930%0.3CS..THydrogen-bonded Turntrans-68.9-42.8-177-179.9177.6172.9-179.20113.4R16 E35 Y209 Y211R16-K18 VanDerWaalsContact C-N 3.3Å; R16-K18 PolarHBondContact O-N 2.95Å; K18-E35 IonicContact NZ-OE2 2.83Å; K18-E35 PolarHBondContact NZ-OE2 3.27Å; K18-Y209 PolarHBondContact NZ-O 2.99Å; K18-Y211 HydrophobicContact CB-CD2 3.96Å; K18-Y211 HydrophobicContact CB-CE2 3.78Å; K18-Y211 HydrophobicContact CB-CG 4.44Å; K18-Y211 HydrophobicContact CD-CD2 4.09Å; K18-Y211 HydrophobicContact CD-CE2 3.89Å; K18-Y211 HydrophobicContact CG-CD2 4.16Å; K18-Y211 HydrophobicContact CG-CE2 3.64Å
19T90Very high94.6Very high64 Ų6456.8 Ų56.839%0.39328%0.283SS..THydrogen-bonded Turntrans-117.7-10.7-171.160.20000114.2D21T19-D21 WeakPolarHBondContact CB-OD2 3.14Å; T19-D21 PolarHBondContact O-N 3.42Å; T19-D21 WeakPolarHBondContact OG1-CB 3.14Å; T19-D21 PolarHBondContact OG1-N 3.46Å; T19-D21 PolarHBondContact OG1-OD2 3.43Å
20S91.2Very high94.7Very high60 Ų6056.6 Ų56.642%0.4228%0.277SS..  trans63.27.4-168.2-67.20000115.5K15 R16K15-S20 VanDerWaalsContact CE-CB 3.47Å; K15-S20 WeakPolarHBondContact CE-O 3.37Å; R16-S20 WeakPolarHBondContact O-CA 3.39Å; R16-S20 PolarHBondContact O-N 3.49Å
21D94.4Very high94.7Very high60 Ų6055.2 Ų55.232%0.32127%0.268SS..  trans-62.8138.8175.6-67.2-38.1000111.3K15 R16 T19 M23K15-D21 CarbonylContact C-O 3.54Å; K15-D21 WeakPolarHBondContact CA-O 3.11Å; R16-D21 PolarHBondContact N-O 2.94Å; T19-D21 WeakPolarHBondContact CB-OD2 3.14Å; T19-D21 PolarHBondContact O-N 3.42Å; T19-D21 WeakPolarHBondContact OG1-CB 3.14Å; T19-D21 PolarHBondContact OG1-N 3.46Å; T19-D21 PolarHBondContact OG1-OD2 3.43Å; D21-M23 HydrophobicContact CB-CE 4.07Å; D21-M23 HydrophobicContact CB-CG 4.44Å
22I96.4Very high94.8Very high51 Ų5147.5 Ų47.526%0.26223%0.234SC..EExtended strand (participates in β ladder)trans-96.7123.8173.1-66.3169.7000108.4V3 C5 C6 I14 K15V3-I22 HydrophobicContact CB-CD1 4.07Å; V3-I22 HydrophobicContact CB-CG2 4.32Å; V3-I22 HydrophobicContact CG1-CB 4.26Å; V3-I22 HydrophobicContact CG1-CD1 3.28Å; V3-I22 HydrophobicContact CG1-CG1 4.34Å; V3-I22 HydrophobicContact CG1-CG2 4.03Å; V3-I22 HydrophobicContact CG2-CD1 4.49Å; C5-I22 CarbonylContact C-O 3.47Å; C5-I22 WeakPolarHBondContact CA-O 3.25Å; C6-I22 PolarHBondContact N-O 2.94Å; C6-I22 PolarHBondContact SG-O 2.84Å; C6-I22 VanDerWaalsContact SG-O 3.36Å; I14-I22 CarbonylContact O-C 3.48Å; I14-I22 WeakPolarHBondContact O-CA 3.38Å; K15-I22 HydrophobicContact CB-CG1 4.24Å; K15-I22 HydrophobicContact CG-CG1 4.13Å
23M97.1Very high95Very high10 Ų1047 Ų475%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-131.4149.4-175.1-66.5-169.6173.300111.9Y13 I14 R16 D21 C27 F28 C31Y13-M23 PolarHBondContact N-O 2.58Å; I14-M23 HydrophobicContact CG2-CB 4.41Å; I14-M23 PolarHBondContact N-O 3.49Å; I14-M23 PolarHBondContact O-N 3.32Å; R16-M23 HydrophobicContact CG-SD 4.41Å; D21-M23 HydrophobicContact CB-CE 4.07Å; D21-M23 HydrophobicContact CB-CG 4.44Å; M23-C27 HydrophobicContact CB-CB 4.41Å; M23-F28 HydrophobicContact CB-CB 4.16Å; M23-C31 HydrophobicContact SD-CB 4.31Å
24C96.7Very high95.3Very high6 Ų641.9 Ų41.94%0.04121%0.208CC..  trans-71.3171.8164.379.10000110.2C5 C8 S10 E26 C27 F28C5-C24 HydrophobicContact CB-CB 4.03Å; C5-C24 PolarHBondContact SG-N 3.46Å; C8-C24 VanDerWaalsContact SG-SG 3.66Å; S10-C24 WeakPolarHBondContact OG-CB 3.2Å; C24-E26 PolarHBondContact O-N 3.3Å; C24-E26 PolarHBondContact SG-OE2 3.12Å; C24-C27 PolarHBondContact SG-N 2.89Å; C24-C27 VanDerWaalsContact SG-N 3.43Å; C24-C27 VanDerWaalsContact SG-SG 3.64Å; C24-F28 WeakPolarHBondContact O-CB 3.39Å; C24-F28 PolarHBondContact O-N 2.89Å
25K96Very high95.4Very high77 Ų7743.5 Ų43.534%0.33522%0.215SC..Hα-helixtrans-59.2-48.5-174.7-168.4-167-178-1800111.8Y13 F28 S29 M221Y13-K25 HydrophobicContact CD1-CB 4.37Å; K25-F28 PolarHBondContact O-N 3.1Å; K25-S29 PolarHBondContact O-N 3.14Å; K25-S29 PolarHBondContact O-OG 3.46Å; K25-M221 VanDerWaalsContact CA-CE 3.4Å; K25-M221 HydrophobicContact CB-CE 3.81Å; K25-M221 HydrophobicContact CD-CE 4.49Å; K25-M221 WeakPolarHBondContact CE-O 3.37Å; K25-M221 HydrophobicContact CG-CB 4.4Å; K25-M221 HydrophobicContact CG-CE 3.19Å; K25-M221 HydrophobicContact CG-CG 4.36Å; K25-M221 PolarHBondContact NZ-O 2.99Å; K25-M221 VanDerWaalsContact O-CE 3.28Å; K25-M221 WeakPolarHBondContact O-CE 3.4Å
26E97.1Very high95.6Very high127 Ų12737.8 Ų37.859%0.59319%0.19SC*.Hα-helixtrans-68.7-44.1-174.6-58.669-148.100111.2C24 S29 W30C24-E26 PolarHBondContact O-N 3.3Å; C24-E26 PolarHBondContact SG-OE2 3.12Å; E26-S29 PolarHBondContact O-N 2.85Å; E26-W30 WeakPolarHBondContact O-CB 3.32Å; E26-W30 PolarHBondContact O-N 3.25Å
27C97.5Very high95.8Very high14 Ų1439 Ų3910%0.09520%0.196CC..Hα-helixtrans-65.7-40.2178.3-77.20000111.9R7 C8 M23 C24 C31R7-C27 HydrophobicContact CB-CB 4.28Å; C8-C27 PolarHBondContact SG-SG 3.05Å; M23-C27 HydrophobicContact CB-CB 4.41Å; C24-C27 PolarHBondContact SG-N 2.89Å; C24-C27 VanDerWaalsContact SG-N 3.43Å; C24-C27 VanDerWaalsContact SG-SG 3.64Å; C27-C31 WeakPolarHBondContact O-CB 3.11Å; C27-C31 PolarHBondContact O-N 3.48Å; C27-C31 PolarHBondContact O-SG 3.38Å
28F97.4Very high96.2Very high0 Ų044.6 Ų44.60%022%0.215CC..Hα-helixtrans-61.7-50.8173.3168.9-95.4000111.3I14 R16 M23 C24 K25 W30 C31 F32 E214 M217 Y218 M221I14-F28 HydrophobicContact CG2-CB 3.85Å; I14-F28 HydrophobicContact CG2-CD2 3.98Å; I14-F28 HydrophobicContact CG2-CG 3.92Å; R16-F28 HydrophobicContact CG-CD2 4.03Å; R16-F28 HydrophobicContact CG-CE2 4.38Å; M23-F28 HydrophobicContact CB-CB 4.16Å; C24-F28 WeakPolarHBondContact O-CB 3.39Å; C24-F28 PolarHBondContact O-N 2.89Å; K25-F28 PolarHBondContact O-N 3.1Å; F28-W30 VanDerWaalsContact C-N 3.33Å; F28-W30 PolarHBondContact O-N 2.96Å; F28-C31 PolarHBondContact O-N 3.48Å; F28-F32 HydrophobicContact CZ-CB 4.43Å; F28-F32 HydrophobicContact CZ-CD2 4.39Å; F28-F32 HydrophobicContact CZ-CG 4.45Å; F28-F32 WeakPolarHBondContact O-CB 3.25Å; F28-F32 PolarHBondContact O-N 2.85Å; F28-E214 HydrophobicContact CE2-CB 4.24Å; F28-E214 HydrophobicContact CE2-CG 4.12Å; F28-E214 HydrophobicContact CZ-CB 4.05Å; F28-E214 HydrophobicContact CZ-CG 4.4Å; F28-M217 HydrophobicContact CE1-CB 4.31Å; F28-M217 HydrophobicContact CZ-CB 4.09Å; F28-Y218 HydrophobicContact CE1-CD2 4.11Å; F28-M221 HydrophobicContact CB-CE 4.15Å; F28-M221 HydrophobicContact CD1-CE 3.45Å; F28-M221 VanDerWaalsContact CD1-CE 3.45Å; F28-M221 HydrophobicContact CD1-SD 3.46Å; F28-M221 WeakPolarHBondContact CD1-SD 3.26Å; F28-M221 HydrophobicContact CE1-CE 4.24Å; F28-M221 HydrophobicContact CE1-SD 3.66Å; F28-M221 HydrophobicContact CG-CE 4.14Å; F28-M221 HydrophobicContact CG-SD 4.38Å
29S97.4Very high96.7Very high10 Ų1042.2 Ų42.27%0.0721%0.205CC..Hα-helixtrans-57.8-46.4-179.1-65.20000111.6K25 E26 F32 E33 H222K25-S29 PolarHBondContact O-N 3.14Å; K25-S29 PolarHBondContact O-OG 3.46Å; E26-S29 PolarHBondContact O-N 2.85Å; S29-F32 PolarHBondContact O-N 3.01Å; S29-E33 WeakPolarHBondContact O-CB 3.33Å; S29-E33 WeakPolarHBondContact O-CG 3.3Å; S29-E33 PolarHBondContact O-N 3.43Å; S29-H222 PolarHBondContact OG-NE2 3.36Å; S29-H222 VanDerWaalsContact OG-NE2 3.09Å
30W97.5Very high97.1Very high117 Ų11739.2 Ų39.244%0.44319%0.186SC..Hα-helixtrans-59.9-50.4175.2-173.197.4000111.5R7 E26 F28 F32 E33 E34R7-W30 VanDerWaalsContact NH2-CD2 3.28Å; R7-W30 VanDerWaalsContact NH2-CZ2 3.28Å; E26-W30 WeakPolarHBondContact O-CB 3.32Å; E26-W30 PolarHBondContact O-N 3.25Å; F28-W30 VanDerWaalsContact C-N 3.33Å; F28-W30 PolarHBondContact O-N 2.96Å; W30-F32 VanDerWaalsContact C-N 3.31Å; W30-F32 PolarHBondContact O-N 3.45Å; W30-E33 PolarHBondContact O-N 3.36Å; W30-E34 HydrophobicContact CD2-CB 4.47Å; W30-E34 HydrophobicContact CD2-CG 3.47Å; W30-E34 VanDerWaalsContact CD2-CG 3.47Å; W30-E34 VanDerWaalsContact CE2-CG 3.5Å; W30-E34 HydrophobicContact CE3-CB 4.04Å; W30-E34 HydrophobicContact CE3-CG 3.49Å; W30-E34 VanDerWaalsContact CE3-CG 3.49Å; W30-E34 HydrophobicContact CG-CG 4.23Å; W30-E34 HydrophobicContact CH2-CB 4.47Å; W30-E34 HydrophobicContact CH2-CG 3.81Å; W30-E34 HydrophobicContact CZ2-CG 3.7Å; W30-E34 HydrophobicContact CZ3-CB 4.07Å; W30-E34 HydrophobicContact CZ3-CG 3.69Å; W30-E34 WeakPolarHBondContact O-CB 3.45Å; W30-E34 VanDerWaalsContact O-CG 3.26Å; W30-E34 WeakPolarHBondContact O-CG 3.44Å; W30-E34 PolarHBondContact O-N 2.77Å
31C97.5Very high97.4Very high17 Ų1739 Ų3912%0.11519%0.185CC..Hα-helixtrans-60.9-41.1-178.5-75.20000112.1R7 M23 C27 F28 E34 E35R7-C31 PolarHBondContact NH1-SG 2.84Å; R7-C31 VanDerWaalsContact NH1-SG 3.44Å; M23-C31 HydrophobicContact SD-CB 4.31Å; C27-C31 WeakPolarHBondContact O-CB 3.11Å; C27-C31 PolarHBondContact O-N 3.48Å; C27-C31 PolarHBondContact O-SG 3.38Å; F28-C31 PolarHBondContact O-N 3.48Å; C31-E34 PolarHBondContact O-N 3.36Å; C31-E35 WeakPolarHBondContact O-CB 3.3Å; C31-E35 VanDerWaalsContact O-CG 3.3Å; C31-E35 WeakPolarHBondContact O-CG 3.44Å; C31-E35 PolarHBondContact O-N 3.47Å
32F97.8Very high97.5Very high2 Ų241.8 Ų41.81%0.00920%0.196CC..Hα-helixtrans-63.1-47.4177.6-171-105.4000111.8F28 S29 W30 E35 I36 V64 I68 A210 E214 I215 Y218F28-F32 HydrophobicContact CZ-CB 4.43Å; F28-F32 HydrophobicContact CZ-CD2 4.39Å; F28-F32 HydrophobicContact CZ-CG 4.45Å; F28-F32 WeakPolarHBondContact O-CB 3.25Å; F28-F32 PolarHBondContact O-N 2.85Å; S29-F32 PolarHBondContact O-N 3.01Å; W30-F32 VanDerWaalsContact C-N 3.31Å; W30-F32 PolarHBondContact O-N 3.45Å; F32-E35 PolarHBondContact O-N 3.49Å; F32-I36 HydrophobicContact CD1-CD1 3.73Å; F32-I36 HydrophobicContact CE1-CD1 3.45Å; F32-I36 VanDerWaalsContact CE1-CD1 3.45Å; F32-I36 HydrophobicContact CE2-CD1 4.44Å; F32-I36 HydrophobicContact CG-CD1 4.37Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 WeakPolarHBondContact O-CD1 3.17Å; F32-I36 WeakPolarHBondContact O-CG1 3.37Å; F32-I36 PolarHBondContact O-N 2.97Å; F32-V64 HydrophobicContact CE1-CG1 4.23Å; F32-I68 HydrophobicContact CD1-CD1 3.68Å; F32-I68 HydrophobicContact CE1-CD1 3.45Å; F32-I68 VanDerWaalsContact CE1-CD1 3.45Å; F32-A210 HydrophobicContact CE2-CB 3.8Å; F32-A210 HydrophobicContact CZ-CB 3.98Å; F32-E214 HydrophobicContact CD2-CB 3.9Å; F32-E214 HydrophobicContact CE2-CB 3.57Å; F32-E214 HydrophobicContact CZ-CB 4.49Å; F32-I215 HydrophobicContact CE2-CG1 4.47Å; F32-I215 HydrophobicContact CZ-CG1 3.73Å; F32-Y218 HydrophobicContact CB-CD2 4.13Å; F32-Y218 HydrophobicContact CB-CE2 4.46Å; F32-Y218 HydrophobicContact CD1-CD1 4.46Å; F32-Y218 AromaticContact CD1-CD2 3.3Å; F32-Y218 HydrophobicContact CD1-CD2 3.3Å; F32-Y218 AromaticContact CD1-CE2 3.76Å; F32-Y218 HydrophobicContact CD1-CE2 3.76Å; F32-Y218 AromaticContact CD1-CG 3.71Å; F32-Y218 HydrophobicContact CD1-CG 3.71Å; F32-Y218 HydrophobicContact CE1-CD1 4.42Å; F32-Y218 AromaticContact CE1-CD2 3.99Å; F32-Y218 HydrophobicContact CE1-CD2 3.99Å; F32-Y218 AromaticContact CE1-CG 3.9Å; F32-Y218 HydrophobicContact CE1-CG 3.9Å; F32-Y218 AromaticContact CG-CD2 3.98Å; F32-Y218 HydrophobicContact CG-CD2 3.98Å
33E98.4Very high97.4Very high8 Ų840.8 Ų40.84%0.03720%0.195CC..Hα-helixtrans-62.2-43.5177.3-71.8159.2-156.500112.2S29 W30 I36 H37 L71 L72 R75 Y218 H222S29-E33 WeakPolarHBondContact O-CB 3.33Å; S29-E33 WeakPolarHBondContact O-CG 3.3Å; S29-E33 PolarHBondContact O-N 3.43Å; W30-E33 PolarHBondContact O-N 3.36Å; E33-I36 PolarHBondContact O-N 3.03Å; E33-H37 PolarHBondContact O-N 3.21Å; E33-L71 HydrophobicContact CG-CD2 4.21Å; E33-L72 HydrophobicContact CB-CD2 4.31Å; E33-R75 IonicContact OE2-CZ 2.79Å; E33-R75 IonicContact OE2-NH1 2.7Å; E33-R75 PolarHBondContact OE2-NH1 3.46Å; E33-R75 IonicContact OE2-NH2 3.43Å; E33-R75 PolarHBondContact OE2-NH2 3.47Å; E33-Y218 VanDerWaalsContact CD-OH 3.3Å; E33-Y218 HydrophobicContact CG-CE2 3.89Å; E33-Y218 WeakPolarHBondContact CG-OH 3.04Å; E33-Y218 WeakPolarHBondContact OE1-CE2 3.49Å; E33-Y218 PolarHBondContact OE1-OH 3.34Å; E33-H222 IonicContact OE1-NE2 3.28Å
34E98.2Very high97.4Very high31 Ų3148.3 Ų48.315%0.14523%0.227CC..Hα-helixtrans-69.2-35.2179.8-70.1-49.4124.700113.1W30 C31 I36 H37 W38 R75 Y76W30-E34 HydrophobicContact CD2-CB 4.47Å; W30-E34 HydrophobicContact CD2-CG 3.47Å; W30-E34 VanDerWaalsContact CD2-CG 3.47Å; W30-E34 VanDerWaalsContact CE2-CG 3.5Å; W30-E34 HydrophobicContact CE3-CB 4.04Å; W30-E34 HydrophobicContact CE3-CG 3.49Å; W30-E34 VanDerWaalsContact CE3-CG 3.49Å; W30-E34 HydrophobicContact CG-CG 4.23Å; W30-E34 HydrophobicContact CH2-CB 4.47Å; W30-E34 HydrophobicContact CH2-CG 3.81Å; W30-E34 HydrophobicContact CZ2-CG 3.7Å; W30-E34 HydrophobicContact CZ3-CB 4.07Å; W30-E34 HydrophobicContact CZ3-CG 3.69Å; W30-E34 WeakPolarHBondContact O-CB 3.45Å; W30-E34 VanDerWaalsContact O-CG 3.26Å; W30-E34 WeakPolarHBondContact O-CG 3.44Å; W30-E34 PolarHBondContact O-N 2.77Å; C31-E34 PolarHBondContact O-N 3.36Å; E34-I36 VanDerWaalsContact C-N 3.27Å; E34-I36 PolarHBondContact O-N 2.94Å; E34-H37 PolarHBondContact O-N 3.45Å; E34-H37 IonicContact OE2-CD2 3.82Å; E34-W38 WeakPolarHBondContact O-CB 3.42Å; E34-W38 PolarHBondContact O-N 2.93Å; E34-R75 IonicContact OE1-NH1 2.78Å; E34-R75 PolarHBondContact OE1-NH1 3.31Å; E34-Y76 PolarHBondContact OE1-OH 3.36Å; E34-Y76 PolarHBondContact OE2-OH 3.25Å
35E97.8Very high97.4Very high54 Ų5448.1 Ų48.125%0.25223%0.226SC..Hα-helixtrans-63.5-35.9172.6-78177.4-150.100111.8R16 K18 C31 F32 T39R16-E35 IonicContact CZ-OE1 3.73Å; R16-E35 IonicContact NH1-OE1 2.69Å; R16-E35 PolarHBondContact NH1-OE1 3.02Å; R16-E35 VanDerWaalsContact NH2-CD 3.29Å; R16-E35 IonicContact NH2-OE1 3.21Å; R16-E35 PolarHBondContact NH2-OE1 3.24Å; R16-E35 IonicContact NH2-OE2 3.04Å; R16-E35 PolarHBondContact NH2-OE2 3.27Å; R16-E35 VanDerWaalsContact NH2-OE2 3.1Å; K18-E35 IonicContact NZ-OE2 2.83Å; K18-E35 PolarHBondContact NZ-OE2 3.27Å; C31-E35 WeakPolarHBondContact O-CB 3.3Å; C31-E35 VanDerWaalsContact O-CG 3.3Å; C31-E35 WeakPolarHBondContact O-CG 3.44Å; C31-E35 PolarHBondContact O-N 3.47Å; F32-E35 PolarHBondContact O-N 3.49Å; E35-T39 PolarHBondContact O-N 3.47Å; E35-T39 PolarHBondContact O-OG1 3.44Å
36I98.3Very high97.5Very high4 Ų445.5 Ų45.52%0.02122%0.215CC..Hα-helixtrans-73.1-43.1175.7-66.6158.6000110.6F32 E33 E34 W38 T39 I40 I68 L72 P206 F207F32-I36 HydrophobicContact CD1-CD1 3.73Å; F32-I36 HydrophobicContact CE1-CD1 3.45Å; F32-I36 VanDerWaalsContact CE1-CD1 3.45Å; F32-I36 HydrophobicContact CE2-CD1 4.44Å; F32-I36 HydrophobicContact CG-CD1 4.37Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 WeakPolarHBondContact O-CD1 3.17Å; F32-I36 WeakPolarHBondContact O-CG1 3.37Å; F32-I36 PolarHBondContact O-N 2.97Å; E33-I36 PolarHBondContact O-N 3.03Å; E34-I36 VanDerWaalsContact C-N 3.27Å; E34-I36 PolarHBondContact O-N 2.94Å; I36-W38 VanDerWaalsContact C-N 3.34Å; I36-W38 PolarHBondContact O-N 3.42Å; I36-T39 WeakPolarHBondContact O-CB 3.4Å; I36-T39 PolarHBondContact O-N 3.44Å; I36-I40 HydrophobicContact CG2-CD1 4.01Å; I36-I40 WeakPolarHBondContact O-CG1 3.33Å; I36-I40 PolarHBondContact O-N 3.22Å; I36-I68 HydrophobicContact CB-CG2 4.41Å; I36-I68 HydrophobicContact CD1-CD1 3.5Å; I36-I68 HydrophobicContact CD1-CG2 4.16Å; I36-I68 HydrophobicContact CG2-CG2 3.93Å; I36-L72 HydrophobicContact CB-CD1 4.37Å; I36-L72 HydrophobicContact CG2-CD1 4Å; I36-P206 HydrophobicContact CG2-CB 3.92Å; I36-F207 HydrophobicContact CD1-CD1 3.79Å; I36-F207 HydrophobicContact CD1-CE1 3.45Å; I36-F207 VanDerWaalsContact CD1-CE1 3.45Å; I36-F207 HydrophobicContact CD1-CZ 4.4Å; I36-F207 HydrophobicContact CG1-CD1 3.97Å; I36-F207 HydrophobicContact CG1-CE1 4.06Å; I36-F207 HydrophobicContact CG2-CD1 4.37Å; I36-F207 HydrophobicContact CG2-CE1 4.22Å
37H98.5Very high97.4Very high33 Ų3342.3 Ų42.315%0.15321%0.207CC..Hα-helixtrans-56.6-48.1172.217362.5000111.1E33 E34 T39 I40 S41 L72 Y76 Y78E33-H37 PolarHBondContact O-N 3.21Å; E34-H37 PolarHBondContact O-N 3.45Å; E34-H37 IonicContact OE2-CD2 3.82Å; H37-T39 VanDerWaalsContact C-N 3.29Å; H37-T39 PolarHBondContact O-N 3.38Å; H37-I40 PolarHBondContact O-N 2.85Å; H37-I40 VanDerWaalsContact O-N 3.12Å; H37-S41 PolarHBondContact CE1-OG 3.09Å; H37-S41 PolarHBondContact ND1-OG 2.99Å; H37-S41 PolarHBondContact NE2-OG 3.28Å; H37-S41 WeakPolarHBondContact O-CB 3.47Å; H37-S41 PolarHBondContact O-N 3.28Å; H37-S41 PolarHBondContact O-OG 2.83Å; H37-L72 HydrophobicContact CB-CD1 4.12Å; H37-L72 HydrophobicContact CB-CD2 4.32Å; H37-Y76 HydrophobicContact CB-CD2 4.35Å; H37-Y76 HydrophobicContact CB-CE2 3.97Å; H37-Y76 AromaticContact CD2-CE2 3.86Å; H37-Y76 AromaticContact CD2-CZ 3.78Å; H37-Y76 AromaticContact CE1-CD1 3.6Å; H37-Y76 AromaticContact CE1-CD2 3.71Å; H37-Y76 AromaticContact CE1-CE1 3.99Å; H37-Y76 AromaticContact CE1-CG 3.47Å; H37-Y76 VanDerWaalsContact CE1-CG 3.47Å; H37-Y76 AromaticContact CG-CD2 3.75Å; H37-Y76 AromaticContact CG-CE2 3.55Å; H37-Y76 AromaticContact CG-CZ 3.97Å; H37-Y76 AromaticContact ND1-CD2 3.38Å; H37-Y76 WeakPolarHBondContact ND1-CD2 3.28Å; H37-Y76 AromaticContact ND1-CE2 3.7Å; H37-Y76 AromaticContact ND1-CG 3.62Å; H37-Y76 AromaticContact NE2-CD1 3.84Å; H37-Y76 AromaticContact NE2-CE1 3.8Å; H37-Y78 AromaticContact CE1-CE1 3.85Å; H37-Y78 AromaticContact ND1-CE1 3.63Å; H37-Y78 AromaticContact ND1-CZ 3.62Å; H37-Y78 PolarHBondContact ND1-OH 3.19Å
38W98.2Very high97.5Very high137 Ų13749.5 Ų49.552%0.51923%0.232SC..Hα-helixtrans-56.9-44.5176.2-179.788.5000111.4E34 I36 I40 S41 H42 Y209E34-W38 WeakPolarHBondContact O-CB 3.42Å; E34-W38 PolarHBondContact O-N 2.93Å; I36-W38 VanDerWaalsContact C-N 3.34Å; I36-W38 PolarHBondContact O-N 3.42Å; W38-I40 VanDerWaalsContact C-N 3.34Å; W38-I40 PolarHBondContact O-N 2.7Å; W38-S41 PolarHBondContact O-N 3.44Å; W38-H42 HydrophobicContact CD2-CB 4.21Å; W38-H42 HydrophobicContact CH2-CB 4.43Å; W38-H42 AromaticContact CH2-CD2 3.83Å; W38-H42 HydrophobicContact CZ2-CB 4.13Å; W38-H42 AromaticContact CZ2-CD2 3.97Å; W38-H42 AromaticContact CZ2-CG 3.74Å; W38-H42 AromaticContact CZ2-ND1 3.92Å; W38-H42 WeakPolarHBondContact O-CB 3.38Å; W38-H42 PolarHBondContact O-N 3.47Å; W38-Y209 HydrophobicContact CZ3-CE2 4.37Å
39T97.6Very high97.5Very high4 Ų452.5 Ų52.53%0.02526%0.263CS..Hα-helixtrans-60.8-42.9177.3-580000111.6E35 I36 H37 A43 M193 Y209E35-T39 PolarHBondContact O-N 3.47Å; E35-T39 PolarHBondContact O-OG1 3.44Å; I36-T39 WeakPolarHBondContact O-CB 3.4Å; I36-T39 PolarHBondContact O-N 3.44Å; H37-T39 VanDerWaalsContact C-N 3.29Å; H37-T39 PolarHBondContact O-N 3.38Å; T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 3.47Å; T39-M193 HydrophobicContact CG2-SD 3.91Å; T39-Y209 HydrophobicContact CG2-CD2 4.33Å
40I98Very high97.5Very high2 Ų252.5 Ų52.51%0.0126%0.262CS..Hα-helixtrans-64.1-50.9177.5-68.9165.6000111I36 H37 W38 K44 L45 I46 L69 L72 Y78 P206I36-I40 HydrophobicContact CG2-CD1 4.01Å; I36-I40 WeakPolarHBondContact O-CG1 3.33Å; I36-I40 PolarHBondContact O-N 3.22Å; H37-I40 PolarHBondContact O-N 2.85Å; H37-I40 VanDerWaalsContact O-N 3.12Å; W38-I40 VanDerWaalsContact C-N 3.34Å; W38-I40 PolarHBondContact O-N 2.7Å; I40-K44 WeakPolarHBondContact O-CA 3.21Å; I40-K44 PolarHBondContact O-N 3.2Å; I40-L45 HydrophobicContact CG1-CD1 4.43Å; I40-L45 HydrophobicContact CG2-CB 4.42Å; I40-L45 PolarHBondContact O-N 2.66Å; I40-I46 HydrophobicContact CD1-CD1 4.38Å; I40-I46 HydrophobicContact CG2-CB 4.11Å; I40-I46 HydrophobicContact CG2-CD1 3.91Å; I40-I46 HydrophobicContact CG2-CG1 3.94Å; I40-L69 HydrophobicContact CD1-CD2 3.77Å; I40-L72 HydrophobicContact CD1-CD1 4.3Å; I40-Y78 HydrophobicContact CD1-CE2 4.18Å; I40-Y78 HydrophobicContact CG2-CE2 4.24Å; I40-P206 HydrophobicContact CD1-CB 4.23Å; I40-P206 HydrophobicContact CG1-CB 4.08Å; I40-P206 HydrophobicContact CG1-CG 4.36Å
41S97.2Very high97.5Very high55 Ų5549.8 Ų49.839%0.38525%0.253SS..Hα-helixtrans-70.3-46.8-174.9-61.90000112.2H37 W38 A43 K44H37-S41 PolarHBondContact CE1-OG 3.09Å; H37-S41 PolarHBondContact ND1-OG 2.99Å; H37-S41 PolarHBondContact NE2-OG 3.28Å; H37-S41 WeakPolarHBondContact O-CB 3.47Å; H37-S41 PolarHBondContact O-N 3.28Å; H37-S41 PolarHBondContact O-OG 2.83Å; W38-S41 PolarHBondContact O-N 3.44Å; S41-A43 VanDerWaalsContact C-N 3.32Å; S41-A43 PolarHBondContact O-N 2.99Å; S41-K44 PolarHBondContact O-N 2.81Å; S41-K44 VanDerWaalsContact O-N 3.15Å
42H96.4Very high97.6Very high119 Ų11949 Ų4955%0.55125%0.248SC*.Hα-helixtrans-61.3-41.4-179-177.973.6000111.8W38W38-H42 HydrophobicContact CD2-CB 4.21Å; W38-H42 HydrophobicContact CH2-CB 4.43Å; W38-H42 AromaticContact CH2-CD2 3.83Å; W38-H42 HydrophobicContact CZ2-CB 4.13Å; W38-H42 AromaticContact CZ2-CD2 3.97Å; W38-H42 AromaticContact CZ2-CG 3.74Å; W38-H42 AromaticContact CZ2-ND1 3.92Å; W38-H42 WeakPolarHBondContact O-CB 3.38Å; W38-H42 PolarHBondContact O-N 3.47Å
43A95.3Very high97.6Very high29 Ų2948.9 Ų48.924%0.2425%0.247CC..THydrogen-bonded Turntrans-91.54.5179.100000114.1T39 S41 L45 M193T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 3.47Å; S41-A43 VanDerWaalsContact C-N 3.32Å; S41-A43 PolarHBondContact O-N 2.99Å; A43-L45 HydrophobicContact CB-CD1 4.47Å; A43-L45 HydrophobicContact CB-CD2 3.6Å; A43-L45 HydrophobicContact CB-CG 3.84Å; A43-L45 PolarHBondContact O-N 2.94Å; A43-M193 HydrophobicContact CB-CB 4.25Å; A43-M193 HydrophobicContact CB-CE 3.55Å; A43-M193 HydrophobicContact CB-CG 4.5Å; A43-M193 HydrophobicContact CB-SD 3.5Å; A43-M193 VanDerWaalsContact CB-SD 3.5Å
44K96Very high97.6Very high169 Ų16948.5 Ų48.574%0.73525%0.246SC*.THydrogen-bonded Turntrans49.644.8-179-57-179.2-178.4-178.80112.4I40 S41 I46I40-K44 WeakPolarHBondContact O-CA 3.21Å; I40-K44 PolarHBondContact O-N 3.2Å; S41-K44 PolarHBondContact O-N 2.81Å; S41-K44 VanDerWaalsContact O-N 3.15Å; K44-I46 VanDerWaalsContact C-N 3.32Å; K44-I46 PolarHBondContact O-N 3.42Å
45L96.9Very high97.6Very high1 Ų147.7 Ų47.71%0.00525%0.246CC..  trans-69.2-33.2-172.3-58-176.3000112.5I40 A43 K161 M193 M194 F204I40-L45 HydrophobicContact CG1-CD1 4.43Å; I40-L45 HydrophobicContact CG2-CB 4.42Å; I40-L45 PolarHBondContact O-N 2.66Å; A43-L45 HydrophobicContact CB-CD1 4.47Å; A43-L45 HydrophobicContact CB-CD2 3.6Å; A43-L45 HydrophobicContact CB-CG 3.84Å; A43-L45 PolarHBondContact O-N 2.94Å; L45-K161 PolarHBondContact O-NZ 3.35Å; L45-M193 HydrophobicContact CD2-CB 4.06Å; L45-M194 HydrophobicContact CB-CE 4.27Å; L45-M194 HydrophobicContact CD2-CB 4.18Å; L45-M194 HydrophobicContact CD2-CE 3.66Å; L45-F204 HydrophobicContact CB-CB 4.47Å; L45-F204 HydrophobicContact CB-CD2 3.82Å; L45-F204 HydrophobicContact CB-CE2 4.27Å; L45-F204 HydrophobicContact CB-CG 4.19Å; L45-F204 HydrophobicContact CD1-CB 4.37Å; L45-F204 HydrophobicContact CD1-CD2 3.88Å; L45-F204 HydrophobicContact CD2-CB 4.13Å; L45-F204 HydrophobicContact CG-CD2 4.36Å
46I97.7Very high97.6Very high22 Ų2245.4 Ų45.411%0.11324%0.236CC..  trans-118.8138.7-177-59.2179000109I40 K44 I52 L69 Y78 A80 F204I40-I46 HydrophobicContact CD1-CD1 4.38Å; I40-I46 HydrophobicContact CG2-CB 4.11Å; I40-I46 HydrophobicContact CG2-CD1 3.91Å; I40-I46 HydrophobicContact CG2-CG1 3.94Å; K44-I46 VanDerWaalsContact C-N 3.32Å; K44-I46 PolarHBondContact O-N 3.42Å; I46-I52 HydrophobicContact CB-CD1 4.43Å; I46-I52 HydrophobicContact CD1-CD1 3.93Å; I46-I52 HydrophobicContact CG1-CD1 3.8Å; I46-I52 HydrophobicContact CG2-CD1 3.96Å; I46-L69 HydrophobicContact CD1-CD2 3.98Å; I46-Y78 HydrophobicContact CD1-CD2 3.98Å; I46-Y78 HydrophobicContact CD1-CE2 4.19Å; I46-Y78 HydrophobicContact CG2-CD2 4.45Å; I46-Y78 HydrophobicContact CG2-CG 4.39Å; I46-A80 HydrophobicContact CG2-CB 3.8Å; I46-F204 HydrophobicContact CD1-CE2 4.37Å; I46-F204 HydrophobicContact CD1-CZ 4.33Å; I46-F204 HydrophobicContact CG1-CE2 4.17Å; I46-F204 HydrophobicContact CG1-CZ 4.02Å
47S96.6Very high97.3Very high60 Ų6046.9 Ų46.942%0.4225%0.247SC..  trans-125.2149.2174.1-58.80000108.9G49 D50S47-G49 PolarHBondContact O-N 3.48Å; S47-D50 PolarHBondContact N-OD2 3.4Å; S47-D50 WeakPolarHBondContact O-CB 3.47Å; S47-D50 PolarHBondContact O-N 3.47Å
48R98Very high96.9Very high165 Ų16545.3 Ų45.362%0.62324%0.239SC*.THydrogen-bonded Turntrans-59.2135.8177.3179.1168.5-70.2-105.20.3110.4D50 D77 Y78R48-D50 VanDerWaalsContact C-N 3.29Å; R48-D77 IonicContact CZ-OD1 3.95Å; R48-D77 IonicContact CZ-OD2 3.71Å; R48-D77 IonicContact NH1-OD1 3.88Å; R48-D77 IonicContact NH1-OD2 3.83Å; R48-D77 PolarHBondContact NH2-O 3.48Å; R48-D77 IonicContact NH2-OD1 3.2Å; R48-D77 PolarHBondContact NH2-OD1 2.82Å; R48-D77 IonicContact NH2-OD2 2.7Å; R48-D77 PolarHBondContact NH2-OD2 3.14Å; R48-Y78 VanDerWaalsContact CA-O 3.31Å; R48-Y78 WeakPolarHBondContact CA-O 3.48Å
49G97.7Very high96.7Very high63 Ų6339.5 Ų39.565%0.64922%0.223SC*.THydrogen-bonded Turntrans83.8-1.5-174.900000114.3S47 K51 G79S47-G49 PolarHBondContact O-N 3.48Å; G49-K51 PolarHBondContact O-N 2.8Å; G49-G79 PolarHBondContact N-O 2.9Å
50D98.1Very high96.6Very high11 Ų1141.4 Ų41.46%0.05923%0.23CC..  trans-61.2138.7171.9-81.7-24.4000111.1S47 R48 I52 A80 E81 N160 K161S47-D50 PolarHBondContact N-OD2 3.4Å; S47-D50 WeakPolarHBondContact O-CB 3.47Å; S47-D50 PolarHBondContact O-N 3.47Å; R48-D50 VanDerWaalsContact C-N 3.29Å; D50-I52 HydrophobicContact CB-CD1 4.07Å; D50-I52 HydrophobicContact CB-CG1 3.85Å; D50-A80 HydrophobicContact CB-CB 4.5Å; D50-A80 CarbonylContact O-C 3.53Å; D50-A80 WeakPolarHBondContact O-CA 3.16Å; D50-E81 PolarHBondContact O-N 3.03Å; D50-N160 PolarHBondContact OD1-ND2 3.38Å; D50-K161 WeakPolarHBondContact OD1-CE 3.41Å; D50-K161 IonicContact OD1-NZ 2.62Å; D50-K161 WeakPolarHBondContact OD2-CD 3.27Å; D50-K161 VanDerWaalsContact OD2-CE 3.22Å; D50-K161 WeakPolarHBondContact OD2-CE 3.2Å; D50-K161 IonicContact OD2-NZ 2.84Å; D50-K161 PolarHBondContact OD2-NZ 3.41Å
51K98.4Very high96.5Very high59 Ų5942.6 Ų42.626%0.25724%0.237SC..EExtended strand (participates in β ladder)trans-108.9105.8171.4-170.6163-170.9146.10108.6G49 E81 L83 L157 G158 A159 N160 K161G49-K51 PolarHBondContact O-N 2.8Å; K51-E81 WeakPolarHBondContact CA-O 3.28Å; K51-E81 VanDerWaalsContact CD-OE2 3.26Å; K51-E81 WeakPolarHBondContact CD-OE2 3.12Å; K51-E81 WeakPolarHBondContact CE-OE1 3.34Å; K51-E81 VanDerWaalsContact CE-OE2 3.24Å; K51-E81 WeakPolarHBondContact CE-OE2 3.25Å; K51-E81 HydrophobicContact CG-CB 4.3Å; K51-E81 HydrophobicContact CG-CG 4.43Å; K51-E81 IonicContact NZ-OE1 3.13Å; K51-E81 PolarHBondContact NZ-OE1 3.38Å; K51-E81 IonicContact NZ-OE2 3.73Å; K51-E81 PolarHBondContact NZ-OE2 3.09Å; K51-L83 HydrophobicContact CD-CD1 4.16Å; K51-L83 VanDerWaalsContact CE-CD1 3.5Å; K51-L83 HydrophobicContact CG-CD1 3.63Å; K51-L157 WeakPolarHBondContact CE-O 3.47Å; K51-G158 WeakPolarHBondContact CD-O 3.39Å; K51-A159 CarbonylContact O-C 3.56Å; K51-A159 WeakPolarHBondContact O-CA 3.48Å; K51-A159 VanDerWaalsContact O-CB 3.26Å; K51-A159 WeakPolarHBondContact O-CB 3.3Å; K51-N160 PolarHBondContact N-OD1 2.84Å; K51-N160 PolarHBondContact O-N 2.83Å; K51-N160 PolarHBondContact O-OD1 3.34Å; K51-K161 PolarHBondContact O-N 3.06Å
52I98.6Very high96.5Very high0 Ų040.3 Ų40.30%022%0.221CC..EExtended strand (participates in β ladder)trans-108.9117.2-163.9-56.6176.4000110.2I46 D50 I54 A80 E81 L82 L83 K161 C163 F204I46-I52 HydrophobicContact CB-CD1 4.43Å; I46-I52 HydrophobicContact CD1-CD1 3.93Å; I46-I52 HydrophobicContact CG1-CD1 3.8Å; I46-I52 HydrophobicContact CG2-CD1 3.96Å; D50-I52 HydrophobicContact CB-CD1 4.07Å; D50-I52 HydrophobicContact CB-CG1 3.85Å; I52-I54 HydrophobicContact CG2-CG1 4.4Å; I52-I54 PolarHBondContact O-N 2.88Å; I52-A80 HydrophobicContact CD1-CB 3.78Å; I52-A80 HydrophobicContact CG1-CB 4.46Å; I52-E81 PolarHBondContact N-O 3.31Å; I52-L82 HydrophobicContact CB-CD2 4.06Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; I52-L83 PolarHBondContact O-N 2.86Å; I52-K161 HydrophobicContact CG1-CB 4.47Å; I52-C163 HydrophobicContact CG2-CB 3.76Å; I52-F204 HydrophobicContact CD1-CE1 4.43Å; I52-F204 HydrophobicContact CD1-CZ 4.06Å; I52-F204 HydrophobicContact CG2-CE1 3.93Å; I52-F204 HydrophobicContact CG2-CZ 3.83Å
53A98.5Very high96.5Very high0 Ų034.6 Ų34.60%019%0.194CC..EExtended strand (participates in β ladder)trans-83.5109.6169.700000110.4L85 A154 A159 K161 I162 C163A53-L85 HydrophobicContact CB-CB 4.3Å; A53-L85 HydrophobicContact CB-CD2 4.31Å; A53-A154 HydrophobicContact CB-CB 3.96Å; A53-A159 HydrophobicContact CB-CB 3.8Å; A53-K161 PolarHBondContact N-O 2.96Å; A53-I162 HydrophobicContact CB-CG1 4.44Å; A53-I162 CarbonylContact O-C 3.45Å; A53-I162 VanDerWaalsContact O-CA 3.32Å; A53-I162 WeakPolarHBondContact O-CA 3.27Å; A53-C163 PolarHBondContact O-N 2.78Å
54I98.5Very high96.6Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-84.9116.9174.5-56175000108.4I52 A56 L65 L69 L82 L83 L84 L85 C163I52-I54 HydrophobicContact CG2-CG1 4.4Å; I52-I54 PolarHBondContact O-N 2.88Å; I54-A56 PolarHBondContact O-N 2.89Å; I54-L65 HydrophobicContact CG2-CD2 3.89Å; I54-L65 HydrophobicContact CG2-CG 4.18Å; I54-L69 HydrophobicContact CD1-CB 4.23Å; I54-L69 HydrophobicContact CD1-CD1 3.8Å; I54-L69 HydrophobicContact CG1-CD1 4.04Å; I54-L82 HydrophobicContact CD1-CB 4.22Å; I54-L82 HydrophobicContact CD1-CD1 4.46Å; I54-L82 HydrophobicContact CD1-CD2 4.39Å; I54-L83 WeakPolarHBondContact CB-O 3.14Å; I54-L83 PolarHBondContact N-O 3.2Å; I54-L84 HydrophobicContact CB-CD2 4.26Å; I54-L84 HydrophobicContact CG2-CD2 4.47Å; I54-L85 PolarHBondContact O-N 2.87Å; I54-C163 HydrophobicContact CG1-CB 4.39Å
55G97.6Very high96.7Very high14 Ų1425.2 Ų25.214%0.14415%0.148CC..EExtended strand (participates in β ladder)trans-65.6105174.100000111.1S62 L85 C163G55-S62 WeakPolarHBondContact O-CB 3.45Å; G55-L85 WeakPolarHBondContact CA-O 3.49Å; G55-C163 PolarHBondContact N-O 3.49Å
56A96.7Very high96.7Very high7 Ų725.2 Ų25.26%0.05815%0.149CC..  trans-104.1103.8-175.100000110.7I54 L84 L85 S86 V102I54-A56 PolarHBondContact O-N 2.89Å; A56-L84 HydrophobicContact CB-CB 4.33Å; A56-L84 HydrophobicContact CB-CD2 4.3Å; A56-L85 PolarHBondContact N-O 3.02Å; A56-S86 WeakPolarHBondContact O-CA 3.24Å; A56-S86 WeakPolarHBondContact O-CB 3.25Å; A56-S86 PolarHBondContact O-OG 3.22Å; A56-V102 HydrophobicContact CB-CG1 3.91Å; A56-V102 HydrophobicContact CB-CG2 4.25Å
57S93.8Very high96.7Very high34 Ų3426.8 Ų26.824%0.23815%0.153CC..  trans-89.8-13.1174.364.80000112.6G59 S62 R95S57-G59 PolarHBondContact O-N 2.94Å; S57-G59 PolarHBondContact OG-N 3.13Å; S57-S62 PolarHBondContact N-OG 3.4Å; S57-S62 VanDerWaalsContact N-OG 3.1Å; S57-S62 PolarHBondContact OG-OG 3.14Å; S57-S62 VanDerWaalsContact OG-OG 3.14Å; S57-R95 PolarHBondContact O-NH1 3.1Å
58G90.3Very high96.8Very high0 Ų024 Ų240%013%0.133CC..SBendtrans82.7-8.2-170.500000112.9S62 V102 F227G58-S62 PolarHBondContact N-OG 3Å; G58-V102 VanDerWaalsContact CA-CG2 3.47Å; G58-V102 VanDerWaalsContact N-CG2 3.29Å; G58-F227 WeakPolarHBondContact O-CB 3.28Å; G58-F227 PolarHBondContact O-N 3.16Å
59G93.3Very high96.7Very high16 Ų1616.2 Ų16.217%0.16510%0.104CC..BIsolated β-bridgetrans-77.2162.9173.100000112.8S57 D61 S62 T63 F227S57-G59 PolarHBondContact O-N 2.94Å; S57-G59 PolarHBondContact OG-N 3.13Å; G59-D61 VanDerWaalsContact C-N 3.31Å; G59-D61 PolarHBondContact O-N 3.21Å; G59-D61 VanDerWaalsContact O-N 3.14Å; G59-S62 PolarHBondContact N-OG 3.46Å; G59-S62 PolarHBondContact O-N 2.93Å; G59-S62 VanDerWaalsContact O-N 3.1Å; G59-S62 PolarHBondContact O-OG 2.93Å; G59-T63 PolarHBondContact O-N 3.28Å; G59-T63 PolarHBondContact O-OG1 2.92Å; G59-F227 WeakPolarHBondContact CA-O 3.39Å
60K94.5Very high96.7Very high43 Ų4314.1 Ų14.119%0.1878%0.079CC..Hα-helixtrans-43.3-49.8-177.173.2-168.3-165.9-610114.2S62 T63 V64 E212 V216 Y226K60-S62 PolarHBondContact O-N 3.34Å; K60-T63 PolarHBondContact O-N 3.38Å; K60-V64 WeakPolarHBondContact O-CB 3.23Å; K60-V64 VanDerWaalsContact O-CG2 3.24Å; K60-V64 WeakPolarHBondContact O-CG2 3.37Å; K60-V64 PolarHBondContact O-N 3Å; K60-E212 WeakPolarHBondContact CE-OE1 3.49Å; K60-E212 IonicContact NZ-OE1 3.59Å; K60-E212 PolarHBondContact NZ-OE1 3Å; K60-V216 HydrophobicContact CD-CG2 3.6Å; K60-Y226 HydrophobicContact CB-CD2 3.72Å; K60-Y226 HydrophobicContact CB-CE2 3.97Å; K60-Y226 HydrophobicContact CB-CG 4.13Å
61D96.7Very high96.7Very high28 Ų2815.9 Ų15.915%0.159%0.088CC..Hα-helixtrans-67.7-42.1-173-55.3-80.5000111G59 L65 G165 N167 F207 I215G59-D61 VanDerWaalsContact C-N 3.31Å; G59-D61 PolarHBondContact O-N 3.21Å; G59-D61 VanDerWaalsContact O-N 3.14Å; D61-L65 VanDerWaalsContact O-CB 3.23Å; D61-L65 WeakPolarHBondContact O-CB 3.27Å; D61-L65 PolarHBondContact O-N 2.93Å; D61-G165 WeakPolarHBondContact CB-O 3.23Å; D61-N167 PolarHBondContact OD1-ND2 3.2Å; D61-F207 WeakPolarHBondContact O-CE2 3.26Å; D61-I215 WeakPolarHBondContact OD1-CD1 3.45Å
62S96.2Very high96.7Very high6 Ų613.1 Ų13.14%0.0428%0.075CC..Hα-helixtrans-71.8-35.1178.668.70000113G55 S57 G58 G59 K60 L65 A66G55-S62 WeakPolarHBondContact O-CB 3.45Å; S57-S62 PolarHBondContact N-OG 3.4Å; S57-S62 VanDerWaalsContact N-OG 3.1Å; S57-S62 PolarHBondContact OG-OG 3.14Å; S57-S62 VanDerWaalsContact OG-OG 3.14Å; G58-S62 PolarHBondContact N-OG 3Å; G59-S62 PolarHBondContact N-OG 3.46Å; G59-S62 PolarHBondContact O-N 2.93Å; G59-S62 VanDerWaalsContact O-N 3.1Å; G59-S62 PolarHBondContact O-OG 2.93Å; K60-S62 PolarHBondContact O-N 3.34Å; S62-L65 PolarHBondContact O-N 3.11Å; S62-A66 WeakPolarHBondContact O-CB 3.43Å; S62-A66 PolarHBondContact O-N 3.01Å
63T96.7Very high96.6Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-68.2-46.1176-61.50000111.1G59 K60 L65 A66 Y67 N105 L224 D225G59-T63 PolarHBondContact O-N 3.28Å; G59-T63 PolarHBondContact O-OG1 2.92Å; K60-T63 PolarHBondContact O-N 3.38Å; T63-L65 VanDerWaalsContact C-N 3.28Å; T63-L65 PolarHBondContact O-N 3.06Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-Y67 WeakPolarHBondContact O-CB 3.22Å; T63-Y67 PolarHBondContact O-N 2.99Å; T63-N105 PolarHBondContact OG1-OD1 2.94Å; T63-L224 HydrophobicContact CG2-CB 4.02Å; T63-L224 HydrophobicContact CG2-CD1 4.42Å; T63-D225 WeakPolarHBondContact CG2-O 3.26Å
64V97.7Very high96.6Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-62.9-38.5175.4176.90000110.5F32 K60 Y67 I68 F207 I215 Y218 A219 L224F32-V64 HydrophobicContact CE1-CG1 4.23Å; K60-V64 WeakPolarHBondContact O-CB 3.23Å; K60-V64 VanDerWaalsContact O-CG2 3.24Å; K60-V64 WeakPolarHBondContact O-CG2 3.37Å; K60-V64 PolarHBondContact O-N 3Å; V64-Y67 PolarHBondContact O-N 3.1Å; V64-I68 HydrophobicContact CG1-CD1 3.66Å; V64-I68 HydrophobicContact CG1-CG1 4.17Å; V64-I68 WeakPolarHBondContact O-CB 3.35Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.42Å; V64-F207 HydrophobicContact CB-CE2 4.24Å; V64-F207 HydrophobicContact CB-CZ 4.29Å; V64-F207 HydrophobicContact CG1-CE2 4.09Å; V64-F207 HydrophobicContact CG1-CZ 3.78Å; V64-I215 HydrophobicContact CB-CG2 3.97Å; V64-I215 HydrophobicContact CG1-CG2 4.24Å; V64-I215 HydrophobicContact CG2-CG2 3.82Å; V64-Y218 HydrophobicContact CG1-CD1 3.69Å; V64-Y218 HydrophobicContact CG1-CE1 4.19Å; V64-Y218 HydrophobicContact CG1-CG 4.45Å; V64-Y218 HydrophobicContact CG2-CD1 4.43Å; V64-A219 HydrophobicContact CG2-CB 3.58Å; V64-L224 HydrophobicContact CB-CD1 4.44Å; V64-L224 HydrophobicContact CG2-CD1 3.81Å
65L98Very high96.6Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-61.9-48.5175.6179.366.5000112.3I54 D61 S62 T63 Y67 I68 L69 P206 F207I54-L65 HydrophobicContact CG2-CD2 3.89Å; I54-L65 HydrophobicContact CG2-CG 4.18Å; D61-L65 VanDerWaalsContact O-CB 3.23Å; D61-L65 WeakPolarHBondContact O-CB 3.27Å; D61-L65 PolarHBondContact O-N 2.93Å; S62-L65 PolarHBondContact O-N 3.11Å; T63-L65 VanDerWaalsContact C-N 3.28Å; T63-L65 PolarHBondContact O-N 3.06Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.3Å; L65-I68 PolarHBondContact O-N 2.89Å; L65-L69 HydrophobicContact CD1-CD1 3.85Å; L65-L69 HydrophobicContact CD1-CG 3.95Å; L65-L69 HydrophobicContact CG-CD1 4.1Å; L65-L69 HydrophobicContact CG-CG 4.47Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 2.74Å; L65-P206 HydrophobicContact CD1-CB 4.27Å; L65-P206 HydrophobicContact CD1-CG 3.96Å; L65-F207 VanDerWaalsContact CA-CZ 3.43Å; L65-F207 HydrophobicContact CB-CE2 3.79Å; L65-F207 HydrophobicContact CB-CZ 3.83Å; L65-F207 HydrophobicContact CD1-CD1 4.44Å; L65-F207 HydrophobicContact CD1-CE1 4Å; L65-F207 HydrophobicContact CD1-CE2 4.38Å; L65-F207 HydrophobicContact CD1-CZ 3.99Å
66A97.6Very high96.6Very high2 Ų229.4 Ų29.42%0.01714%0.139CC..Hα-helixtrans-60.3-44.4177.800000111.4S62 T63 N70 L84 Y109S62-A66 WeakPolarHBondContact O-CB 3.43Å; S62-A66 PolarHBondContact O-N 3.01Å; T63-A66 PolarHBondContact O-N 3.45Å; A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.06Å; A66-L84 HydrophobicContact CB-CD2 3.94Å; A66-Y109 HydrophobicContact CB-CD2 4.19Å; A66-Y109 HydrophobicContact CB-CE2 4.24Å
67Y97.3Very high96.7Very high55 Ų5533.6 Ų33.622%0.21616%0.161CC..Hα-helixtrans-60.2-54.8176.7179.8-92.2000111.9T63 V64 L65 L69 N70 L71 Y109 Y218 L224T63-Y67 WeakPolarHBondContact O-CB 3.22Å; T63-Y67 PolarHBondContact O-N 2.99Å; V64-Y67 PolarHBondContact O-N 3.1Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.3Å; Y67-L69 PolarHBondContact O-N 3.31Å; Y67-N70 PolarHBondContact O-N 3.44Å; Y67-L71 HydrophobicContact CE1-CD2 4Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.98Å; Y67-Y109 HydrophobicContact CD2-CD1 4.46Å; Y67-Y109 AromaticContact CD2-CE1 3.62Å; Y67-Y109 HydrophobicContact CD2-CE1 3.62Å; Y67-Y109 HydrophobicContact CE2-CE1 4.48Å; Y67-Y109 HydrophobicContact CG-CE1 4.49Å; Y67-Y218 AromaticContact CD1-CE1 3.77Å; Y67-Y218 HydrophobicContact CD1-CE1 3.77Å; Y67-Y218 AromaticContact CE1-CE1 3.92Å; Y67-Y218 HydrophobicContact CE1-CE1 3.92Å; Y67-Y218 VanDerWaalsContact CE1-OH 3.28Å; Y67-Y218 WeakPolarHBondContact CE1-OH 3.27Å; Y67-L224 HydrophobicContact CD1-CD1 4.43Å; Y67-L224 HydrophobicContact CD2-CD2 3.63Å; Y67-L224 HydrophobicContact CE2-CD2 3.93Å; Y67-L224 HydrophobicContact CG-CD1 4.09Å; Y67-L224 HydrophobicContact CG-CD2 3.96Å
68I97.8Very high96.9Very high0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-66-40.7-175.9-71.8-177.2000111.1F32 I36 V64 L65 L71 L72 F207 Y218F32-I68 HydrophobicContact CD1-CD1 3.68Å; F32-I68 HydrophobicContact CE1-CD1 3.45Å; F32-I68 VanDerWaalsContact CE1-CD1 3.45Å; I36-I68 HydrophobicContact CB-CG2 4.41Å; I36-I68 HydrophobicContact CD1-CD1 3.5Å; I36-I68 HydrophobicContact CD1-CG2 4.16Å; I36-I68 HydrophobicContact CG2-CG2 3.93Å; V64-I68 HydrophobicContact CG1-CD1 3.66Å; V64-I68 HydrophobicContact CG1-CG1 4.17Å; V64-I68 WeakPolarHBondContact O-CB 3.35Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.42Å; L65-I68 PolarHBondContact O-N 2.89Å; I68-L71 PolarHBondContact O-N 2.71Å; I68-L72 HydrophobicContact CG2-CD1 3.49Å; I68-L72 VanDerWaalsContact CG2-CD1 3.49Å; I68-L72 HydrophobicContact CG2-CG 3.86Å; I68-L72 WeakPolarHBondContact O-CB 3.38Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.49Å; I68-L72 PolarHBondContact O-N 3.13Å; I68-F207 HydrophobicContact CD1-CE1 4.33Å; I68-F207 HydrophobicContact CD1-CZ 4.3Å; I68-Y218 HydrophobicContact CD1-CD1 4.17Å; I68-Y218 HydrophobicContact CD1-CE1 3.73Å; I68-Y218 HydrophobicContact CD1-CE2 4.29Å; I68-Y218 HydrophobicContact CG1-CE1 3.73Å
69L97.8Very high97.2Very high2 Ų234.5 Ų34.51%0.0117%0.167CC..Hα-helixtrans-64.2-42.1176.6-78.4-177.3000111.9I40 I46 I54 L65 Y67 L71 N73 L82 C163 P206I40-L69 HydrophobicContact CD1-CD2 3.77Å; I46-L69 HydrophobicContact CD1-CD2 3.98Å; I54-L69 HydrophobicContact CD1-CB 4.23Å; I54-L69 HydrophobicContact CD1-CD1 3.8Å; I54-L69 HydrophobicContact CG1-CD1 4.04Å; L65-L69 HydrophobicContact CD1-CD1 3.85Å; L65-L69 HydrophobicContact CD1-CG 3.95Å; L65-L69 HydrophobicContact CG-CD1 4.1Å; L65-L69 HydrophobicContact CG-CG 4.47Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 2.74Å; Y67-L69 PolarHBondContact O-N 3.31Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 2.75Å; L69-N73 WeakPolarHBondContact O-CB 3.4Å; L69-N73 PolarHBondContact O-N 2.72Å; L69-L82 HydrophobicContact CB-CD1 4.02Å; L69-C163 HydrophobicContact CD1-CB 4.19Å; L69-P206 HydrophobicContact CD2-CG 4.49Å
70N97.2Very high97.5Very high20 Ų2034.2 Ų34.211%0.10716%0.163CC..Hα-helixtrans-62-43175.4-169.225.6000111.6A66 Y67 K74 L82 Y109A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.06Å; Y67-N70 PolarHBondContact O-N 3.44Å; N70-K74 WeakPolarHBondContact O-CG 3.4Å; N70-K74 PolarHBondContact O-N 2.81Å; N70-K74 VanDerWaalsContact OD1-CE 3.26Å; N70-K74 WeakPolarHBondContact OD1-CE 3.21Å; N70-K74 PolarHBondContact OD1-NZ 2.84Å; N70-L82 HydrophobicContact CB-CD1 4.43Å; N70-Y109 PolarHBondContact ND2-O 2.89Å
71L97.4Very high97.6Very high48 Ų4836.5 Ų36.525%0.25117%0.174SC..Hα-helixtrans-63.2-52.2178178.164000112.1E33 Y67 I68 L69 K74 R75E33-L71 HydrophobicContact CG-CD2 4.21Å; Y67-L71 HydrophobicContact CE1-CD2 4Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.98Å; I68-L71 PolarHBondContact O-N 2.71Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 2.75Å; L71-K74 PolarHBondContact O-N 2.81Å; L71-R75 WeakPolarHBondContact O-CB 3.45Å; L71-R75 PolarHBondContact O-N 3.28Å
72L98.2Very high97.7Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-70.5-36-177.1-66-178.4000112.1E33 I36 H37 I40 I68 K74 R75 Y76 Y78E33-L72 HydrophobicContact CB-CD2 4.31Å; I36-L72 HydrophobicContact CB-CD1 4.37Å; I36-L72 HydrophobicContact CG2-CD1 4Å; H37-L72 HydrophobicContact CB-CD1 4.12Å; H37-L72 HydrophobicContact CB-CD2 4.32Å; I40-L72 HydrophobicContact CD1-CD1 4.3Å; I68-L72 HydrophobicContact CG2-CD1 3.49Å; I68-L72 VanDerWaalsContact CG2-CD1 3.49Å; I68-L72 HydrophobicContact CG2-CG 3.86Å; I68-L72 WeakPolarHBondContact O-CB 3.38Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.49Å; I68-L72 PolarHBondContact O-N 3.13Å; L72-K74 PolarHBondContact O-N 2.74Å; L72-R75 PolarHBondContact O-N 3.22Å; L72-Y76 HydrophobicContact CB-CD2 4.4Å; L72-Y76 HydrophobicContact CD2-CD2 3.86Å; L72-Y76 HydrophobicContact CD2-CE2 3.74Å; L72-Y76 WeakPolarHBondContact O-CB 3.35Å; L72-Y76 PolarHBondContact O-N 3.04Å; L72-Y78 HydrophobicContact CB-CE2 3.78Å
73N97.8Very high97.8Very high25 Ų2535.5 Ų35.513%0.13417%0.168CC..Hα-helixtrans-58.5-38.5174.9-17342.8000111.3L69 D77 Y78 G79 A80 L82L69-N73 WeakPolarHBondContact O-CB 3.4Å; L69-N73 PolarHBondContact O-N 2.72Å; N73-D77 WeakPolarHBondContact O-CA 3.45Å; N73-D77 PolarHBondContact O-N 3.24Å; N73-D77 VanDerWaalsContact O-N 3.12Å; N73-Y78 HydrophobicContact CB-CD2 4.13Å; N73-Y78 PolarHBondContact O-N 3.34Å; N73-Y78 WeakPolarHBondContact OD1-CB 3.12Å; N73-G79 PolarHBondContact OD1-N 3.43Å; N73-A80 PolarHBondContact ND2-O 2.86Å; N73-A80 PolarHBondContact OD1-N 3.35Å; N73-A80 VanDerWaalsContact OD1-N 3.11Å; N73-L82 HydrophobicContact CB-CD1 4.14Å
74K97.4Very high97.9Very high146 Ų14635.6 Ų35.664%0.63517%0.169SC*.Hα-helixtrans-76-47.7174.8-67.7171.6-177.5172.60112.4N70 L71 L72 Y76N70-K74 WeakPolarHBondContact O-CG 3.4Å; N70-K74 PolarHBondContact O-N 2.81Å; N70-K74 VanDerWaalsContact OD1-CE 3.26Å; N70-K74 WeakPolarHBondContact OD1-CE 3.21Å; N70-K74 PolarHBondContact OD1-NZ 2.84Å; L71-K74 PolarHBondContact O-N 2.81Å; L72-K74 PolarHBondContact O-N 2.74Å; K74-Y76 PolarHBondContact O-N 3.35Å
75R98.1Very high97.9Very high102 Ų10235.6 Ų35.639%0.38517%0.169SC..Hα-helixtrans-62.2-42.4-176.4-177.7-174.5-63.7167.94112.6E33 E34 L71 L72E33-R75 IonicContact OE2-CZ 2.79Å; E33-R75 IonicContact OE2-NH1 2.7Å; E33-R75 PolarHBondContact OE2-NH1 3.46Å; E33-R75 IonicContact OE2-NH2 3.43Å; E33-R75 PolarHBondContact OE2-NH2 3.47Å; E34-R75 IonicContact OE1-NH1 2.78Å; E34-R75 PolarHBondContact OE1-NH1 3.31Å; L71-R75 WeakPolarHBondContact O-CB 3.45Å; L71-R75 PolarHBondContact O-N 3.28Å; L72-R75 PolarHBondContact O-N 3.22Å
76Y98.3Very high97.9Very high83 Ų8335.6 Ų35.633%0.32517%0.169SC..THydrogen-bonded Turntrans-105.64-175.3-70.4-68.6000113.7E34 H37 L72 K74 Y78E34-Y76 PolarHBondContact OE1-OH 3.36Å; E34-Y76 PolarHBondContact OE2-OH 3.25Å; H37-Y76 HydrophobicContact CB-CD2 4.35Å; H37-Y76 HydrophobicContact CB-CE2 3.97Å; H37-Y76 AromaticContact CD2-CE2 3.86Å; H37-Y76 AromaticContact CD2-CZ 3.78Å; H37-Y76 AromaticContact CE1-CD1 3.6Å; H37-Y76 AromaticContact CE1-CD2 3.71Å; H37-Y76 AromaticContact CE1-CE1 3.99Å; H37-Y76 AromaticContact CE1-CG 3.47Å; H37-Y76 VanDerWaalsContact CE1-CG 3.47Å; H37-Y76 AromaticContact CG-CD2 3.75Å; H37-Y76 AromaticContact CG-CE2 3.55Å; H37-Y76 AromaticContact CG-CZ 3.97Å; H37-Y76 AromaticContact ND1-CD2 3.38Å; H37-Y76 WeakPolarHBondContact ND1-CD2 3.28Å; H37-Y76 AromaticContact ND1-CE2 3.7Å; H37-Y76 AromaticContact ND1-CG 3.62Å; H37-Y76 AromaticContact NE2-CD1 3.84Å; H37-Y76 AromaticContact NE2-CE1 3.8Å; L72-Y76 HydrophobicContact CB-CD2 4.4Å; L72-Y76 HydrophobicContact CD2-CD2 3.86Å; L72-Y76 HydrophobicContact CD2-CE2 3.74Å; L72-Y76 WeakPolarHBondContact O-CB 3.35Å; L72-Y76 PolarHBondContact O-N 3.04Å; K74-Y76 PolarHBondContact O-N 3.35Å; Y76-Y78 HydrophobicContact CG-CE1 4.31Å; Y76-Y78 PolarHBondContact O-N 3.02Å
77D97.7Very high97.9Very high96 Ų9635.8 Ų35.851%0.51317%0.169SC..THydrogen-bonded Turntrans46.354.7-179.3-171.226.4000112.9R48 N73 G79R48-D77 IonicContact CZ-OD1 3.95Å; R48-D77 IonicContact CZ-OD2 3.71Å; R48-D77 IonicContact NH1-OD1 3.88Å; R48-D77 IonicContact NH1-OD2 3.83Å; R48-D77 PolarHBondContact NH2-O 3.48Å; R48-D77 IonicContact NH2-OD1 3.2Å; R48-D77 PolarHBondContact NH2-OD1 2.82Å; R48-D77 IonicContact NH2-OD2 2.7Å; R48-D77 PolarHBondContact NH2-OD2 3.14Å; N73-D77 WeakPolarHBondContact O-CA 3.45Å; N73-D77 PolarHBondContact O-N 3.24Å; N73-D77 VanDerWaalsContact O-N 3.12Å; D77-G79 PolarHBondContact O-N 3.4Å
78Y98.1Very high97.8Very high27 Ų2735 Ų3511%0.10617%0.169CC..  trans-62.4-25.4177-55.4-36.2000111.6H37 I40 I46 R48 L72 N73 Y76 A80H37-Y78 AromaticContact CE1-CE1 3.85Å; H37-Y78 AromaticContact ND1-CE1 3.63Å; H37-Y78 AromaticContact ND1-CZ 3.62Å; H37-Y78 PolarHBondContact ND1-OH 3.19Å; I40-Y78 HydrophobicContact CD1-CE2 4.18Å; I40-Y78 HydrophobicContact CG2-CE2 4.24Å; I46-Y78 HydrophobicContact CD1-CD2 3.98Å; I46-Y78 HydrophobicContact CD1-CE2 4.19Å; I46-Y78 HydrophobicContact CG2-CD2 4.45Å; I46-Y78 HydrophobicContact CG2-CG 4.39Å; R48-Y78 VanDerWaalsContact CA-O 3.31Å; R48-Y78 WeakPolarHBondContact CA-O 3.48Å; L72-Y78 HydrophobicContact CB-CE2 3.78Å; N73-Y78 HydrophobicContact CB-CD2 4.13Å; N73-Y78 PolarHBondContact O-N 3.34Å; N73-Y78 WeakPolarHBondContact OD1-CB 3.12Å; Y76-Y78 HydrophobicContact CG-CE1 4.31Å; Y76-Y78 PolarHBondContact O-N 3.02Å; Y78-A80 VanDerWaalsContact C-N 3.34Å
79G97.9Very high97.7Very high25 Ų2535 Ų3526%0.25817%0.169SC..  trans68.931.4-178.500000113.1G49 N73 D77G49-G79 PolarHBondContact N-O 2.9Å; N73-G79 PolarHBondContact OD1-N 3.43Å; D77-G79 PolarHBondContact O-N 3.4Å
80A98.2Very high97.6Very high10 Ų1035.9 Ų35.98%0.08318%0.179CC..PPolyproline II helixtrans-93.4142.417600000111.6I46 D50 I52 N73 Y78 L82I46-A80 HydrophobicContact CG2-CB 3.8Å; D50-A80 HydrophobicContact CB-CB 4.5Å; D50-A80 CarbonylContact O-C 3.53Å; D50-A80 WeakPolarHBondContact O-CA 3.16Å; I52-A80 HydrophobicContact CD1-CB 3.78Å; I52-A80 HydrophobicContact CG1-CB 4.46Å; N73-A80 PolarHBondContact ND2-O 2.86Å; N73-A80 PolarHBondContact OD1-N 3.35Å; N73-A80 VanDerWaalsContact OD1-N 3.11Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; A80-L82 HydrophobicContact CB-CD2 4.19Å
81E98.3Very high97.4Very high91 Ų9135.1 Ų35.143%0.42518%0.175SC..EExtended strand (participates in β ladder)trans-85.9117166.9-171.9-172.916300108.7D50 K51 I52D50-E81 PolarHBondContact O-N 3.03Å; K51-E81 WeakPolarHBondContact CA-O 3.28Å; K51-E81 VanDerWaalsContact CD-OE2 3.26Å; K51-E81 WeakPolarHBondContact CD-OE2 3.12Å; K51-E81 WeakPolarHBondContact CE-OE1 3.34Å; K51-E81 VanDerWaalsContact CE-OE2 3.24Å; K51-E81 WeakPolarHBondContact CE-OE2 3.25Å; K51-E81 HydrophobicContact CG-CB 4.3Å; K51-E81 HydrophobicContact CG-CG 4.43Å; K51-E81 IonicContact NZ-OE1 3.13Å; K51-E81 PolarHBondContact NZ-OE1 3.38Å; K51-E81 IonicContact NZ-OE2 3.73Å; K51-E81 PolarHBondContact NZ-OE2 3.09Å; I52-E81 PolarHBondContact N-O 3.31Å
82L98.4Very high97.1Very high10 Ų1036.5 Ų36.55%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-101.5133.3-177.2-56.9-178.9000110.9I52 I54 L69 N70 N73 A80 L111I52-L82 HydrophobicContact CB-CD2 4.06Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; I54-L82 HydrophobicContact CD1-CB 4.22Å; I54-L82 HydrophobicContact CD1-CD1 4.46Å; I54-L82 HydrophobicContact CD1-CD2 4.39Å; L69-L82 HydrophobicContact CB-CD1 4.02Å; N70-L82 HydrophobicContact CB-CD1 4.43Å; N73-L82 HydrophobicContact CB-CD1 4.14Å; A80-L82 HydrophobicContact CB-CD2 4.19Å; L82-L111 HydrophobicContact CB-CD1 4.42Å; L82-L111 HydrophobicContact CB-CD2 3.89Å
83L98.2Very high96.4Very high4 Ų439.3 Ų39.32%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-131.1143.9-179.9-53.4160000109.5K51 I52 I54 P112 L157K51-L83 HydrophobicContact CD-CD1 4.16Å; K51-L83 VanDerWaalsContact CE-CD1 3.5Å; K51-L83 HydrophobicContact CG-CD1 3.63Å; I52-L83 PolarHBondContact O-N 2.86Å; I54-L83 WeakPolarHBondContact CB-O 3.14Å; I54-L83 PolarHBondContact N-O 3.2Å; L83-P112 HydrophobicContact CD2-CB 3.7Å; L83-P112 HydrophobicContact CD2-CG 3.72Å; L83-L157 HydrophobicContact CB-CD1 4.2Å; L83-L157 HydrophobicContact CD1-CB 3.99Å; L83-L157 HydrophobicContact CD1-CD1 4.25Å; L83-L157 HydrophobicContact CD1-CD2 4.36Å; L83-L157 HydrophobicContact CD1-CG 4.45Å
84L98.2Very high95.8Very high1 Ų139.8 Ų39.81%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-90.6131.5170.3-58.5178.9000109.6I54 A56 A66 Q106 L111 P112 L113 K114I54-L84 HydrophobicContact CB-CD2 4.26Å; I54-L84 HydrophobicContact CG2-CD2 4.47Å; A56-L84 HydrophobicContact CB-CB 4.33Å; A56-L84 HydrophobicContact CB-CD2 4.3Å; A66-L84 HydrophobicContact CB-CD2 3.94Å; L84-Q106 HydrophobicContact CD1-CB 4.18Å; L84-L111 HydrophobicContact CD1-CB 4.22Å; L84-L111 HydrophobicContact CD2-CD1 4.02Å; L84-L111 HydrophobicContact CG-CB 3.96Å; L84-L111 HydrophobicContact CG-CD1 4.24Å; L84-P112 PolarHBondContact N-O 2.83Å; L84-L113 HydrophobicContact CB-CB 4.27Å; L84-L113 HydrophobicContact CB-CD1 3.6Å; L84-L113 WeakPolarHBondContact O-CA 3.5Å; L84-K114 PolarHBondContact O-N 3.02Å
85L98.2Very high95.3Very high1 Ų133 Ų331%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-124114.3172.617760.7000109.4A53 I54 G55 A56 I87 K114 L150 A154 L157A53-L85 HydrophobicContact CB-CB 4.3Å; A53-L85 HydrophobicContact CB-CD2 4.31Å; I54-L85 PolarHBondContact O-N 2.87Å; G55-L85 WeakPolarHBondContact CA-O 3.49Å; A56-L85 PolarHBondContact N-O 3.02Å; L85-I87 HydrophobicContact CD1-CD1 4.35Å; L85-I87 HydrophobicContact CG-CD1 4.4Å; L85-K114 WeakPolarHBondContact CA-O 3.47Å; L85-K114 HydrophobicContact CD1-CB 4.13Å; L85-K114 HydrophobicContact CD1-CG 4.29Å; L85-L150 HydrophobicContact CD2-CD2 3.8Å; L85-L150 VanDerWaalsContact CD2-O 3.31Å; L85-L150 WeakPolarHBondContact CD2-O 3.33Å; L85-L150 HydrophobicContact CG-CD2 4.01Å; L85-A154 HydrophobicContact CD2-CB 4.33Å; L85-L157 HydrophobicContact CB-CD1 4.24Å; L85-L157 HydrophobicContact CD1-CD1 4.34Å
86S97.6Very high94.7Very high0 Ų032.7 Ų32.70%019%0.194CC..EExtended strand (participates in β ladder)trans-113141.4178.5-150.70000111.2A56 R95 K114 I115 L116A56-S86 WeakPolarHBondContact O-CA 3.24Å; A56-S86 WeakPolarHBondContact O-CB 3.25Å; A56-S86 PolarHBondContact O-OG 3.22Å; S86-R95 PolarHBondContact OG-NH2 2.9Å; S86-K114 PolarHBondContact N-O 3.44Å; S86-I115 WeakPolarHBondContact O-CA 3.32Å; S86-L116 PolarHBondContact O-N 3.28Å
87I97.1Very high93.9Very high5 Ų532.2 Ų32.23%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-112.6115177.3-52.7-54.4000108.8L85 E89 R95 L116 Y118 A149 L150L85-I87 HydrophobicContact CD1-CD1 4.35Å; L85-I87 HydrophobicContact CG-CD1 4.4Å; I87-E89 VanDerWaalsContact O-CD 3.25Å; I87-E89 PolarHBondContact O-N 3.18Å; I87-E89 VanDerWaalsContact O-OE1 3.07Å; I87-R95 PolarHBondContact O-NE 2.93Å; I87-R95 PolarHBondContact O-NH2 3.23Å; I87-L116 CarbonylContact C-O 3.46Å; I87-L116 VanDerWaalsContact CA-O 3.29Å; I87-L116 WeakPolarHBondContact CA-O 3.38Å; I87-L116 HydrophobicContact CD1-CB 4.17Å; I87-Y118 HydrophobicContact CG2-CD1 3.79Å; I87-Y118 HydrophobicContact CG2-CE1 3.46Å; I87-Y118 VanDerWaalsContact CG2-CE1 3.46Å; I87-A149 HydrophobicContact CD1-CB 3.78Å; I87-A149 HydrophobicContact CG1-CB 4.14Å; I87-A149 HydrophobicContact CG2-CB 3.84Å; I87-L150 HydrophobicContact CD1-CD2 4.22Å; I87-L150 HydrophobicContact CD1-CG 4.45Å; I87-L150 HydrophobicContact CG1-CD2 3.87Å; I87-L150 HydrophobicContact CG1-CG 3.99Å
88D96.6Very high93.5Very high38 Ų3827.7 Ų27.720%0.20317%0.173CC..EExtended strand (participates in β ladder)trans-79.6108.8171.3179.56.4000109.4G90 R95 L99 I115 L116 S117 Y118D88-G90 VanDerWaalsContact C-N 3.28Å; D88-G90 WeakPolarHBondContact OD1-CA 3.47Å; D88-G90 PolarHBondContact OD1-N 3.22Å; D88-R95 HydrophobicContact CB-CG 4.47Å; D88-R95 WeakPolarHBondContact OD1-CG 3.36Å; D88-L99 HydrophobicContact CB-CD1 3.98Å; D88-I115 HydrophobicContact CB-CG2 4.29Å; D88-L116 PolarHBondContact N-O 3.33Å; D88-S117 CarbonylContact O-C 3.19Å; D88-S117 VanDerWaalsContact O-CA 3.27Å; D88-S117 WeakPolarHBondContact O-CA 3.22Å; D88-Y118 PolarHBondContact O-N 3.46Å
89E95.6Very high93.2Very high0 Ų027.3 Ų27.30%017%0.173CC..  trans-80.7-8.6178-60.892.8-168.300113.2I87 I91 R95 Y118 M126 R146I87-E89 VanDerWaalsContact O-CD 3.25Å; I87-E89 PolarHBondContact O-N 3.18Å; I87-E89 VanDerWaalsContact O-OE1 3.07Å; E89-I91 HydrophobicContact CB-CD1 4.13Å; E89-I91 HydrophobicContact CB-CG1 4.07Å; E89-R95 VanDerWaalsContact OE2-CD 3.25Å; E89-R95 WeakPolarHBondContact OE2-CD 3.38Å; E89-R95 IonicContact OE2-CZ 2.85Å; E89-R95 IonicContact OE2-NE 2.83Å; E89-R95 PolarHBondContact OE2-NE 3.22Å; E89-Y118 HydrophobicContact CB-CD2 4.11Å; E89-Y118 HydrophobicContact CB-CE2 3.92Å; E89-Y118 HydrophobicContact CG-CD2 4.39Å; E89-Y118 HydrophobicContact CG-CE1 4.1Å; E89-Y118 HydrophobicContact CG-CE2 3.82Å; E89-M126 HydrophobicContact CB-CB 4.39Å; E89-M126 HydrophobicContact CB-CG 3.77Å; E89-M126 VanDerWaalsContact O-CB 3.27Å; E89-M126 WeakPolarHBondContact O-CB 3.37Å; E89-M126 WeakPolarHBondContact O-CG 3.36Å; E89-M126 PolarHBondContact O-N 2.81Å; E89-R146 IonicContact OE1-CZ 3.45Å; E89-R146 IonicContact OE1-NE 3.58Å; E89-R146 IonicContact OE1-NH1 2.69Å; E89-R146 PolarHBondContact OE1-NH1 2.89Å; E89-R146 IonicContact OE1-NH2 3.68Å; E89-R146 PolarHBondContact OE1-NH2 2.68Å; E89-R146 IonicContact OE2-NH2 2.69Å; E89-R146 PolarHBondContact OE2-NH2 3.24Å
90G95.1Very high92.9Very high22 Ų2230.8 Ų30.823%0.22718%0.184CC..  trans67.148.9-176.700000112.8D88 D127D88-G90 VanDerWaalsContact C-N 3.28Å; D88-G90 WeakPolarHBondContact OD1-CA 3.47Å; D88-G90 PolarHBondContact OD1-N 3.22Å; G90-D127 PolarHBondContact O-N 2.8Å
91I93.3Very high92.6Very high4 Ų430.5 Ų30.52%0.02118%0.181CC..  trans-103.4105.1176.2-56.6176.4000108.6E89 G93 Y94 R95 M126 K232 Y233E89-I91 HydrophobicContact CB-CD1 4.13Å; E89-I91 HydrophobicContact CB-CG1 4.07Å; I91-G93 PolarHBondContact O-N 3.11Å; I91-Y94 HydrophobicContact CB-CD1 4.25Å; I91-Y94 HydrophobicContact CD1-CD1 4.47Å; I91-Y94 HydrophobicContact CG2-CD1 4.42Å; I91-Y94 HydrophobicContact CG2-CG 4.45Å; I91-Y94 PolarHBondContact O-N 3.19Å; I91-R95 PolarHBondContact O-N 3.25Å; I91-M126 HydrophobicContact CD1-CB 4.13Å; I91-M126 HydrophobicContact CD1-CG 4.32Å; I91-M126 HydrophobicContact CG1-CB 3.57Å; I91-M126 HydrophobicContact CG1-CG 4.2Å; I91-K232 HydrophobicContact CG2-CD 4.06Å; I91-K232 HydrophobicContact CG2-CG 4.09Å; I91-Y233 HydrophobicContact CD1-CD2 4.28Å; I91-Y233 HydrophobicContact CG1-CE2 4.46Å; I91-Y233 HydrophobicContact CG2-CD2 4.28Å; I91-Y233 HydrophobicContact CG2-CE2 4.1Å
92S90.1Very high92.4Very high76 Ų7626.2 Ų26.253%0.53116%0.161SC..THydrogen-bonded Turntrans-59.7135.4-176.3-49.80000111.5Y94 D127 K232S92-Y94 PolarHBondContact O-N 3.08Å; S92-D127 WeakPolarHBondContact CB-OD2 3.36Å; S92-D127 PolarHBondContact N-OD2 3.14Å; S92-D127 PolarHBondContact OG-OD2 3.16Å; S92-K232 PolarHBondContact O-NZ 3.25Å; S92-K232 VanDerWaalsContact O-NZ 3.14Å
93G84Confident92.3Very high60 Ų6030.1 Ų30.162%0.61918%0.179SC*.THydrogen-bonded Turntrans73.78.4178.400000114.7I91I91-G93 PolarHBondContact O-N 3.11Å
94Y86.2Confident92.1Very high35 Ų3535.5 Ų35.514%0.13720%0.199CC..THydrogen-bonded Turntrans-128.3-49.2176170.2-93.1000110.5I91 S92 S98 F227 T229 C231I91-Y94 HydrophobicContact CB-CD1 4.25Å; I91-Y94 HydrophobicContact CD1-CD1 4.47Å; I91-Y94 HydrophobicContact CG2-CD1 4.42Å; I91-Y94 HydrophobicContact CG2-CG 4.45Å; I91-Y94 PolarHBondContact O-N 3.19Å; S92-Y94 PolarHBondContact O-N 3.08Å; Y94-S98 PolarHBondContact O-N 3.46Å; Y94-S98 PolarHBondContact O-OG 3.36Å; Y94-F227 AromaticContact CD2-CE1 3.67Å; Y94-F227 HydrophobicContact CD2-CE1 3.67Å; Y94-F227 HydrophobicContact CD2-CZ 4.24Å; Y94-F227 HydrophobicContact CE2-CD1 4.44Å; Y94-F227 AromaticContact CE2-CE1 3.68Å; Y94-F227 HydrophobicContact CE2-CE1 3.68Å; Y94-F227 HydrophobicContact CG-CE1 4.35Å; Y94-F227 WeakPolarHBondContact O-CZ 3.05Å; Y94-T229 WeakPolarHBondContact CE2-O 3.28Å; Y94-C231 HydrophobicContact CD2-CB 4.16Å; Y94-C231 HydrophobicContact CE1-CB 4.3Å; Y94-C231 HydrophobicContact CE2-CB 3.84Å; Y94-C231 VanDerWaalsContact CE2-N 3.26Å; Y94-C231 HydrophobicContact CG-CB 4.5Å
95R87.1Confident91.8Very high3 Ų335.7 Ų35.71%0.01120%0.2CC..Hα-helixtrans-78-33.9-169.8-156.765.4-176.2127.50.8112.9S57 S86 I87 D88 E89 I91 D97 S98 L99S57-R95 PolarHBondContact O-NH1 3.1Å; S86-R95 PolarHBondContact OG-NH2 2.9Å; I87-R95 PolarHBondContact O-NE 2.93Å; I87-R95 PolarHBondContact O-NH2 3.23Å; D88-R95 HydrophobicContact CB-CG 4.47Å; D88-R95 WeakPolarHBondContact OD1-CG 3.36Å; E89-R95 VanDerWaalsContact OE2-CD 3.25Å; E89-R95 WeakPolarHBondContact OE2-CD 3.38Å; E89-R95 IonicContact OE2-CZ 2.85Å; E89-R95 IonicContact OE2-NE 2.83Å; E89-R95 PolarHBondContact OE2-NE 3.22Å; I91-R95 PolarHBondContact O-N 3.25Å; R95-D97 PolarHBondContact O-N 3.03Å; R95-S98 WeakPolarHBondContact CA-OG 3.41Å; R95-S98 WeakPolarHBondContact CD-OG 3.47Å; R95-S98 PolarHBondContact NH1-OG 3.39Å; R95-S98 PolarHBondContact O-N 3.29Å; R95-S98 PolarHBondContact O-OG 3.31Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 HydrophobicContact CG-CG 4.07Å; R95-L99 WeakPolarHBondContact O-CB 3.47Å; R95-L99 WeakPolarHBondContact O-CG 3.4Å; R95-L99 PolarHBondContact O-N 2.82Å
96D83.7Confident91.7Very high96 Ų9639 Ų3951%0.51322%0.216SC..Hα-helixtrans-53.6-55.5179.3-51.4-50.2000111.7S98 L99 M100D96-S98 VanDerWaalsContact C-N 3.35Å; D96-S98 PolarHBondContact O-N 3.44Å; D96-L99 PolarHBondContact O-N 3.27Å; D96-M100 PolarHBondContact O-N 2.9Å; D96-M100 VanDerWaalsContact O-N 3.09Å
97D83.2Confident91.5Very high73 Ų7345.4 Ų45.439%0.3925%0.248SC..Hα-helixtrans-64.5-38.8179.3-66.3-26.8000112.8R95 L99 M100 T101 F227R95-D97 PolarHBondContact O-N 3.03Å; D97-L99 VanDerWaalsContact C-N 3.35Å; D97-M100 PolarHBondContact O-N 2.91Å; D97-M100 VanDerWaalsContact OD1-CE 3.28Å; D97-M100 WeakPolarHBondContact OD1-CE 3.48Å; D97-T101 PolarHBondContact O-N 2.86Å; D97-T101 VanDerWaalsContact O-N 3.1Å; D97-T101 PolarHBondContact O-OG1 3.14Å; D97-F227 HydrophobicContact CB-CD2 3.76Å; D97-F227 HydrophobicContact CB-CE2 3.29Å; D97-F227 HydrophobicContact CB-CZ 3.98Å
98S87.9Confident91.3Very high0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-67.4-36.1178.875.40000112.1Y94 R95 D96 T101 V102Y94-S98 PolarHBondContact O-N 3.46Å; Y94-S98 PolarHBondContact O-OG 3.36Å; R95-S98 WeakPolarHBondContact CA-OG 3.41Å; R95-S98 WeakPolarHBondContact CD-OG 3.47Å; R95-S98 PolarHBondContact NH1-OG 3.39Å; R95-S98 PolarHBondContact O-N 3.29Å; R95-S98 PolarHBondContact O-OG 3.31Å; D96-S98 VanDerWaalsContact C-N 3.35Å; D96-S98 PolarHBondContact O-N 3.44Å; S98-T101 WeakPolarHBondContact O-CB 3.48Å; S98-T101 PolarHBondContact O-N 3.1Å; S98-V102 WeakPolarHBondContact O-CG2 3.36Å; S98-V102 PolarHBondContact O-N 3.47Å
99L92Very high91.1Very high19 Ų1948.5 Ų48.510%0.09926%0.261CS..Hα-helixtrans-70.8-39.5176.7-72.5172.8000111.3D88 R95 D96 D97 T101 V102 Q103 I115D88-L99 HydrophobicContact CB-CD1 3.98Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 HydrophobicContact CG-CG 4.07Å; R95-L99 WeakPolarHBondContact O-CB 3.47Å; R95-L99 WeakPolarHBondContact O-CG 3.4Å; R95-L99 PolarHBondContact O-N 2.82Å; D96-L99 PolarHBondContact O-N 3.27Å; D97-L99 VanDerWaalsContact C-N 3.35Å; L99-T101 PolarHBondContact O-N 3.42Å; L99-V102 PolarHBondContact O-N 2.8Å; L99-V102 VanDerWaalsContact O-N 3.13Å; L99-Q103 WeakPolarHBondContact O-CG 3.34Å; L99-Q103 PolarHBondContact O-N 3.19Å; L99-I115 HydrophobicContact CD2-CD1 4.27Å; L99-I115 HydrophobicContact CD2-CG2 4.15Å
100M92.4Very high91Very high99 Ų9953.7 Ų53.749%0.48830%0.297SS..Hα-helixtrans-57.3-38.8171.4-72.2-165-72.300111.4D96 D97 Q103 R104D96-M100 PolarHBondContact O-N 2.9Å; D96-M100 VanDerWaalsContact O-N 3.09Å; D97-M100 PolarHBondContact O-N 2.91Å; D97-M100 VanDerWaalsContact OD1-CE 3.28Å; D97-M100 WeakPolarHBondContact OD1-CE 3.48Å; M100-Q103 PolarHBondContact O-N 2.62Å; M100-R104 WeakPolarHBondContact O-CG 3.42Å; M100-R104 PolarHBondContact O-N 2.89Å
101T92.5Very high91Very high4 Ų453.3 Ų53.33%0.02529%0.29CS..Hα-helixtrans-66.5-42.6175.7-57.70000112.2D97 S98 L99 Q103 R104 N105 D225D97-T101 PolarHBondContact O-N 2.86Å; D97-T101 VanDerWaalsContact O-N 3.1Å; D97-T101 PolarHBondContact O-OG1 3.14Å; S98-T101 WeakPolarHBondContact O-CB 3.48Å; S98-T101 PolarHBondContact O-N 3.1Å; L99-T101 PolarHBondContact O-N 3.42Å; T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.99Å; T101-R104 PolarHBondContact O-N 3.02Å; T101-R104 PolarHBondContact OG1-NH2 2.94Å; T101-N105 VanDerWaalsContact O-CG 3.31Å; T101-N105 PolarHBondContact O-N 3.1Å; T101-D225 WeakPolarHBondContact CG2-O 3.33Å
102V93.7Very high91.2Very high1 Ų156.3 Ų56.31%0.00631%0.309CS..Hα-helixtrans-62.7-39.9175.4177.20000111.5A56 G58 S98 L99 N105 Q106 L113A56-V102 HydrophobicContact CB-CG1 3.91Å; A56-V102 HydrophobicContact CB-CG2 4.25Å; G58-V102 VanDerWaalsContact CA-CG2 3.47Å; G58-V102 VanDerWaalsContact N-CG2 3.29Å; S98-V102 WeakPolarHBondContact O-CG2 3.36Å; S98-V102 PolarHBondContact O-N 3.47Å; L99-V102 PolarHBondContact O-N 2.8Å; L99-V102 VanDerWaalsContact O-N 3.13Å; V102-N105 PolarHBondContact O-N 3.47Å; V102-Q106 PolarHBondContact O-N 3.25Å; V102-L113 HydrophobicContact CG1-CD1 3.57Å; V102-L113 HydrophobicContact CG1-CD2 3.89Å; V102-L113 HydrophobicContact CG1-CG 4.41Å
103Q95.4Very high91.5Very high91 Ų9154.3 Ų54.343%0.42529%0.293SS..Hα-helixtrans-63.9-40174.8-71.7172.6-14.600111.9L99 M100 T101 Q106 I107 L113L99-Q103 WeakPolarHBondContact O-CG 3.34Å; L99-Q103 PolarHBondContact O-N 3.19Å; M100-Q103 PolarHBondContact O-N 2.62Å; T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.99Å; Q103-Q106 VanDerWaalsContact O-CB 3.28Å; Q103-Q106 WeakPolarHBondContact O-CB 3.46Å; Q103-Q106 PolarHBondContact O-N 3.14Å; Q103-I107 PolarHBondContact O-N 3.1Å; Q103-L113 HydrophobicContact CG-CD2 4.14Å
104R94.5Very high92.2Very high117 Ų11755.5 Ų55.544%0.44228%0.281SS..Hα-helixtrans-63.9-41.7173-72.3-177.3-68.7156.713.1111.8M100 T101 Q106 I107 Q108 D225M100-R104 WeakPolarHBondContact O-CG 3.42Å; M100-R104 PolarHBondContact O-N 2.89Å; T101-R104 PolarHBondContact O-N 3.02Å; T101-R104 PolarHBondContact OG1-NH2 2.94Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 3.29Å; R104-I107 PolarHBondContact O-N 3.37Å; R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 2.74Å; R104-D225 WeakPolarHBondContact CD-OD2 3.33Å; R104-D225 VanDerWaalsContact CZ-CG 3.41Å; R104-D225 IonicContact CZ-OD1 2.96Å; R104-D225 VanDerWaalsContact CZ-OD1 3.24Å; R104-D225 IonicContact CZ-OD2 2.94Å; R104-D225 IonicContact NE-OD2 2.68Å; R104-D225 PolarHBondContact NE-OD2 2.74Å; R104-D225 VanDerWaalsContact NE-OD2 3.1Å; R104-D225 IonicContact NH1-OD1 3.54Å; R104-D225 PolarHBondContact NH1-OD1 3.33Å; R104-D225 IonicContact NH1-OD2 3.35Å; R104-D225 PolarHBondContact NH1-OD2 2.96Å; R104-D225 IonicContact NH2-OD1 2.78Å; R104-D225 PolarHBondContact NH2-OD1 3.23Å; R104-D225 IonicContact NH2-OD2 3.84Å; R104-D225 PolarHBondContact NH2-OD2 3.4Å
105N91.9Very high92.7Very high6 Ų656.7 Ų56.73%0.03229%0.289CS..Hα-helixtrans-63.2-36.2174.5-66.6172000112.4T63 T101 V102 I107 Q108 Y109 D225T63-N105 PolarHBondContact OG1-OD1 2.94Å; T101-N105 VanDerWaalsContact O-CG 3.31Å; T101-N105 PolarHBondContact O-N 3.1Å; V102-N105 PolarHBondContact O-N 3.47Å; N105-I107 PolarHBondContact O-N 3.48Å; N105-Q108 PolarHBondContact O-N 2.8Å; N105-Y109 HydrophobicContact CB-CD2 3.99Å; N105-Y109 HydrophobicContact CB-CE2 3.78Å; N105-Y109 WeakPolarHBondContact O-CB 3.31Å; N105-Y109 WeakPolarHBondContact O-CD2 3.43Å; N105-Y109 PolarHBondContact O-N 2.62Å; N105-D225 PolarHBondContact ND2-O 3.29Å
106Q95.3Very high93.2Very high71 Ų7157.4 Ų57.433%0.33229%0.293SS..Hα-helixtrans-55.8-49.8173.3-177.8-158.5-26.200111.1L84 V102 Q103 R104 S110 L111 L113L84-Q106 HydrophobicContact CD1-CB 4.18Å; V102-Q106 PolarHBondContact O-N 3.25Å; Q103-Q106 VanDerWaalsContact O-CB 3.28Å; Q103-Q106 WeakPolarHBondContact O-CB 3.46Å; Q103-Q106 PolarHBondContact O-N 3.14Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 3.29Å; Q106-S110 WeakPolarHBondContact O-CA 3.39Å; Q106-S110 PolarHBondContact O-N 3.4Å; Q106-L111 WeakPolarHBondContact CG-O 3.27Å; Q106-L111 PolarHBondContact O-N 2.86Å; Q106-L113 HydrophobicContact CB-CB 4.11Å; Q106-L113 HydrophobicContact CB-CD2 4.22Å; Q106-L113 HydrophobicContact CG-CB 3.64Å; Q106-L113 HydrophobicContact CG-CD2 4.48Å
107I94.5Very high93.8Very high133 Ų13353.4 Ų53.468%0.68227%0.273SS*.Hα-helixtrans-67.1-48.5179.7-61.6166.8000110.2Q103 R104 N105 Y109 S110Q103-I107 PolarHBondContact O-N 3.1Å; R104-I107 PolarHBondContact O-N 3.37Å; N105-I107 PolarHBondContact O-N 3.48Å; I107-Y109 VanDerWaalsContact C-N 3.29Å; I107-Y109 PolarHBondContact O-N 2.92Å; I107-S110 PolarHBondContact O-N 3.03Å
108Q91.7Very high94.5Very high99 Ų9950 Ų5046%0.46325%0.254SS..Hα-helixtrans-60.8-36.8-175.9-173.6-179.3-4.700112.9R104 N105R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 2.74Å; N105-Q108 PolarHBondContact O-N 2.8Å
109Y92.1Very high94.9Very high10 Ų1054.4 Ų54.44%0.03928%0.275CS..Hα-helixtrans-101.6-3.2-176.2-53.7-38.6000113.7A66 Y67 N70 N105 I107 L111A66-Y109 HydrophobicContact CB-CD2 4.19Å; A66-Y109 HydrophobicContact CB-CE2 4.24Å; Y67-Y109 HydrophobicContact CD2-CD1 4.46Å; Y67-Y109 AromaticContact CD2-CE1 3.62Å; Y67-Y109 HydrophobicContact CD2-CE1 3.62Å; Y67-Y109 HydrophobicContact CE2-CE1 4.48Å; Y67-Y109 HydrophobicContact CG-CE1 4.49Å; N70-Y109 PolarHBondContact ND2-O 2.89Å; N105-Y109 HydrophobicContact CB-CD2 3.99Å; N105-Y109 HydrophobicContact CB-CE2 3.78Å; N105-Y109 WeakPolarHBondContact O-CB 3.31Å; N105-Y109 WeakPolarHBondContact O-CD2 3.43Å; N105-Y109 PolarHBondContact O-N 2.62Å; I107-Y109 VanDerWaalsContact C-N 3.29Å; I107-Y109 PolarHBondContact O-N 2.92Å; Y109-L111 VanDerWaalsContact C-N 3.26Å; Y109-L111 PolarHBondContact O-N 3.1Å
110S94.7Very high95.1Very high108 Ų10859.9 Ų59.976%0.75530%0.304SS*.THydrogen-bonded Turntrans51.844-175-52.80000112.6Q106 I107Q106-S110 WeakPolarHBondContact O-CA 3.39Å; Q106-S110 PolarHBondContact O-N 3.4Å; I107-S110 PolarHBondContact O-N 3.03Å
111L95.4Very high95.3Very high14 Ų1457.1 Ų57.17%0.07329%0.291CS..  trans-107.4134.5179.9-61.9-178.3000109.8L82 L84 Q106 Y109L82-L111 HydrophobicContact CB-CD1 4.42Å; L82-L111 HydrophobicContact CB-CD2 3.89Å; L84-L111 HydrophobicContact CD1-CB 4.22Å; L84-L111 HydrophobicContact CD2-CD1 4.02Å; L84-L111 HydrophobicContact CG-CB 3.96Å; L84-L111 HydrophobicContact CG-CD1 4.24Å; Q106-L111 WeakPolarHBondContact CG-O 3.27Å; Q106-L111 PolarHBondContact O-N 2.86Å; Y109-L111 VanDerWaalsContact C-N 3.26Å; Y109-L111 PolarHBondContact O-N 3.1Å
112P96.4Very high95.4Very high67 Ų6757.8 Ų57.844%0.43529%0.293SS..  trans-59.3142.8173.8-22.232.8000111.5L83 L84L83-P112 HydrophobicContact CD2-CB 3.7Å; L83-P112 HydrophobicContact CD2-CG 3.72Å; L84-P112 PolarHBondContact N-O 2.83Å
113L97.4Very high95.6Very high34 Ų3459.8 Ų59.818%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-121.5132.2-179.817363.7000110.8L84 V102 Q103 Q106 I115L84-L113 HydrophobicContact CB-CB 4.27Å; L84-L113 HydrophobicContact CB-CD1 3.6Å; L84-L113 WeakPolarHBondContact O-CA 3.5Å; V102-L113 HydrophobicContact CG1-CD1 3.57Å; V102-L113 HydrophobicContact CG1-CD2 3.89Å; V102-L113 HydrophobicContact CG1-CG 4.41Å; Q103-L113 HydrophobicContact CG-CD2 4.14Å; Q106-L113 HydrophobicContact CB-CB 4.11Å; Q106-L113 HydrophobicContact CB-CD2 4.22Å; Q106-L113 HydrophobicContact CG-CB 3.64Å; Q106-L113 HydrophobicContact CG-CD2 4.48Å; L113-I115 HydrophobicContact CD1-CG1 4.19Å; L113-I115 HydrophobicContact CD2-CD1 4.03Å; L113-I115 HydrophobicContact CD2-CG1 4.05Å; L113-I115 HydrophobicContact CG-CG1 4.01Å
114K97.4Very high95.6Very high86 Ų8656.4 Ų56.437%0.37430%0.298SS..EExtended strand (participates in β ladder)trans-113.9131.3162.5-173.667.5175.1-179.90109.6L84 L85 S86 L116 L157L84-K114 PolarHBondContact O-N 3.02Å; L85-K114 WeakPolarHBondContact CA-O 3.47Å; L85-K114 HydrophobicContact CD1-CB 4.13Å; L85-K114 HydrophobicContact CD1-CG 4.29Å; S86-K114 PolarHBondContact N-O 3.44Å; K114-L116 HydrophobicContact CG-CD2 4.42Å; K114-L116 HydrophobicContact CG-CG 4.5Å; K114-L157 HydrophobicContact CB-CD1 3.82Å; K114-L157 HydrophobicContact CB-CD2 3.87Å; K114-L157 HydrophobicContact CB-CG 3.91Å; K114-L157 HydrophobicContact CG-CG 4.41Å
115I97Very high95.7Very high60 Ų6051.5 Ų51.531%0.30828%0.281SS..EExtended strand (participates in β ladder)trans-109.6133.9169.4-54.7173.1000107.5S86 D88 L99 L113S86-I115 WeakPolarHBondContact O-CA 3.32Å; D88-I115 HydrophobicContact CB-CG2 4.29Å; L99-I115 HydrophobicContact CD2-CD1 4.27Å; L99-I115 HydrophobicContact CD2-CG2 4.15Å; L113-I115 HydrophobicContact CD1-CG1 4.19Å; L113-I115 HydrophobicContact CD2-CD1 4.03Å; L113-I115 HydrophobicContact CD2-CG1 4.05Å; L113-I115 HydrophobicContact CG-CG1 4.01Å
116L97.2Very high95.9Very high17 Ų1751.4 Ų51.49%0.08928%0.281CS..EExtended strand (participates in β ladder)trans-122.6142.8167.2-62.8-179.3000108.4S86 I87 D88 K114 L121 L156S86-L116 PolarHBondContact O-N 3.28Å; I87-L116 CarbonylContact C-O 3.46Å; I87-L116 VanDerWaalsContact CA-O 3.29Å; I87-L116 WeakPolarHBondContact CA-O 3.38Å; I87-L116 HydrophobicContact CD1-CB 4.17Å; D88-L116 PolarHBondContact N-O 3.33Å; K114-L116 HydrophobicContact CG-CD2 4.42Å; K114-L116 HydrophobicContact CG-CG 4.5Å; L116-L121 HydrophobicContact CB-CD1 4.01Å; L116-L121 HydrophobicContact CB-CG 4.5Å; L116-L121 HydrophobicContact CD1-CD1 4.2Å; L116-L121 HydrophobicContact CD1-CD2 4.46Å; L116-L156 HydrophobicContact CD1-CD1 4.31Å; L116-L156 HydrophobicContact CD2-CD1 4.1Å
117S97.2Very high95.9Very high13 Ų1348.5 Ų48.59%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-106.5153.6176.5790000112.1D88 Q119 D120 L121D88-S117 CarbonylContact O-C 3.19Å; D88-S117 VanDerWaalsContact O-CA 3.27Å; D88-S117 WeakPolarHBondContact O-CA 3.22Å; S117-Q119 PolarHBondContact OG-N 2.81Å; S117-D120 PolarHBondContact O-N 2.72Å; S117-D120 WeakPolarHBondContact OG-CB 3.42Å; S117-D120 PolarHBondContact OG-N 3.04Å; S117-D120 PolarHBondContact OG-OD2 3.39Å; S117-L121 WeakPolarHBondContact O-CB 3.3Å; S117-L121 VanDerWaalsContact O-CG 3.23Å; S117-L121 WeakPolarHBondContact O-CG 3.28Å; S117-L121 PolarHBondContact O-N 3.46Å; S117-L121 VanDerWaalsContact O-N 3.09Å
118Y97.3Very high95.9Very high1 Ų144.7 Ų44.70%0.00425%0.248CC..Hα-helixtrans-64.1-34.6168.7-76.54.2000111.7I87 D88 E89 D120 L121 Y122 G123 W124 M126 C142 F145 R146 A149I87-Y118 HydrophobicContact CG2-CD1 3.79Å; I87-Y118 HydrophobicContact CG2-CE1 3.46Å; I87-Y118 VanDerWaalsContact CG2-CE1 3.46Å; D88-Y118 PolarHBondContact O-N 3.46Å; E89-Y118 HydrophobicContact CB-CD2 4.11Å; E89-Y118 HydrophobicContact CB-CE2 3.92Å; E89-Y118 HydrophobicContact CG-CD2 4.39Å; E89-Y118 HydrophobicContact CG-CE1 4.1Å; E89-Y118 HydrophobicContact CG-CE2 3.82Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.12Å; Y118-L121 PolarHBondContact O-N 3.48Å; Y118-Y122 AromaticContact CD1-CD2 4Å; Y118-Y122 HydrophobicContact CD1-CD2 4Å; Y118-Y122 AromaticContact CD1-CE2 3.8Å; Y118-Y122 HydrophobicContact CD1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE1-CE2 4.17Å; Y118-Y122 HydrophobicContact CG-CD2 4.05Å; Y118-Y122 HydrophobicContact CG-CE2 4.31Å; Y118-Y122 WeakPolarHBondContact O-CA 3.41Å; Y118-Y122 WeakPolarHBondContact O-CB 3.17Å; Y118-Y122 PolarHBondContact O-N 3.19Å; Y118-G123 PolarHBondContact O-N 3Å; Y118-W124 CarbonylContact C-O 3.46Å; Y118-W124 WeakPolarHBondContact CB-O 3.46Å; Y118-M126 HydrophobicContact CD2-CG 3.81Å; Y118-M126 HydrophobicContact CD2-SD 4.24Å; Y118-M126 HydrophobicContact CE2-CG 3.59Å; Y118-M126 HydrophobicContact CE2-SD 3.77Å; Y118-C142 PolarHBondContact OH-O 2.94Å; Y118-F145 HydrophobicContact CD1-CB 4.48Å; Y118-F145 HydrophobicContact CD2-CB 4.48Å; Y118-F145 HydrophobicContact CD2-CD2 4.45Å; Y118-F145 HydrophobicContact CE1-CB 3.87Å; Y118-F145 HydrophobicContact CE2-CB 3.88Å; Y118-F145 HydrophobicContact CE2-CD2 4.35Å; Y118-R146 VanDerWaalsContact OH-CA 3.26Å; Y118-R146 WeakPolarHBondContact OH-CA 3.28Å; Y118-R146 VanDerWaalsContact OH-CB 3.27Å; Y118-R146 WeakPolarHBondContact OH-CB 3.5Å; Y118-R146 PolarHBondContact OH-N 3.19Å; Y118-A149 HydrophobicContact CE1-CB 4.37Å
119Q96.6Very high96.1Very high92 Ų9240 Ų4043%0.4323%0.226SC..Hα-helixtrans-57.7-47.2177-169.659.333.200110.9S117 G123 W124 S125S117-Q119 PolarHBondContact OG-N 2.81Å; Q119-G123 PolarHBondContact NE2-O 3.35Å; Q119-G123 WeakPolarHBondContact O-CA 3.47Å; Q119-G123 PolarHBondContact O-N 3.38Å; Q119-W124 PolarHBondContact N-O 3.38Å; Q119-S125 VanDerWaalsContact OE1-N 3.17Å
120D96.4Very high96.2Very high135 Ų13540 Ų4072%0.72223%0.228SC*.Hα-helixtrans-72.5-37.8-179.9-57.2-36.8000112.3S117 Y118S117-D120 PolarHBondContact O-N 2.72Å; S117-D120 WeakPolarHBondContact OG-CB 3.42Å; S117-D120 PolarHBondContact OG-N 3.04Å; S117-D120 PolarHBondContact OG-OD2 3.39Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.12Å
121L96.1Very high96.2Very high41 Ų4142.7 Ų42.722%0.21523%0.226CC..Hα-helixtrans-79.4-29.7-174.5-71.7176000113.8L116 S117 Y118 A149 K152L116-L121 HydrophobicContact CB-CD1 4.01Å; L116-L121 HydrophobicContact CB-CG 4.5Å; L116-L121 HydrophobicContact CD1-CD1 4.2Å; L116-L121 HydrophobicContact CD1-CD2 4.46Å; S117-L121 WeakPolarHBondContact O-CB 3.3Å; S117-L121 VanDerWaalsContact O-CG 3.23Å; S117-L121 WeakPolarHBondContact O-CG 3.28Å; S117-L121 PolarHBondContact O-N 3.46Å; S117-L121 VanDerWaalsContact O-N 3.09Å; Y118-L121 PolarHBondContact O-N 3.48Å; L121-A149 HydrophobicContact CD1-CB 3.45Å; L121-A149 VanDerWaalsContact CD1-CB 3.45Å; L121-K152 HydrophobicContact CD2-CD 4.07Å
122Y96.1Very high96Very high17 Ų1746.2 Ų46.27%0.06724%0.242CC..Hα-helixtrans-132-14.9-167-53-56.4000113.2Y118 W124 F145 Q148 A149 L299Y118-Y122 AromaticContact CD1-CD2 4Å; Y118-Y122 HydrophobicContact CD1-CD2 4Å; Y118-Y122 AromaticContact CD1-CE2 3.8Å; Y118-Y122 HydrophobicContact CD1-CE2 3.8Å; Y118-Y122 HydrophobicContact CE1-CE2 4.17Å; Y118-Y122 HydrophobicContact CG-CD2 4.05Å; Y118-Y122 HydrophobicContact CG-CE2 4.31Å; Y118-Y122 WeakPolarHBondContact O-CA 3.41Å; Y118-Y122 WeakPolarHBondContact O-CB 3.17Å; Y118-Y122 PolarHBondContact O-N 3.19Å; Y122-W124 VanDerWaalsContact O-CD1 3.24Å; Y122-F145 HydrophobicContact CD2-CB 4.19Å; Y122-F145 HydrophobicContact CD2-CD2 4.16Å; Y122-F145 HydrophobicContact CD2-CG 4.13Å; Y122-F145 HydrophobicContact CE2-CB 3.66Å; Y122-F145 HydrophobicContact CE2-CD2 4.46Å; Y122-F145 AromaticContact CE2-CG 4Å; Y122-F145 HydrophobicContact CE2-CG 4Å; Y122-F145 PolarHBondContact OH-O 3.33Å; Y122-F145 VanDerWaalsContact OH-O 3.14Å; Y122-Q148 PolarHBondContact OH-OE1 3.35Å; Y122-A149 HydrophobicContact CE2-CB 4.48Å; Y122-A149 PolarHBondContact OH-N 2.94Å; Y122-L299 HydrophobicContact CD1-CD2 4.38Å; Y122-L299 WeakPolarHBondContact O-CD1 3.24Å
123G96.4Very high95.7Very high43 Ų4345.3 Ų45.344%0.44323%0.233SC..SBendtrans77.69.5-17200000113.8Y118 Q119Y118-G123 PolarHBondContact O-N 3Å; Q119-G123 PolarHBondContact NE2-O 3.35Å; Q119-G123 WeakPolarHBondContact O-CA 3.47Å; Q119-G123 PolarHBondContact O-N 3.38Å
124W96.4Very high95.3Very high21 Ų2145.2 Ų45.28%0.0824%0.239CC..  trans-138.1131.3-174.4-68.891.7000110.9Y118 Q119 Y122 D128 I129 H132 L302 N303 L306Y118-W124 CarbonylContact C-O 3.46Å; Y118-W124 WeakPolarHBondContact CB-O 3.46Å; Q119-W124 PolarHBondContact N-O 3.38Å; Y122-W124 VanDerWaalsContact O-CD1 3.24Å; W124-D128 HydrophobicContact CE3-CB 3.77Å; W124-D128 HydrophobicContact CZ3-CB 4.26Å; W124-I129 HydrophobicContact CB-CD1 4.17Å; W124-I129 HydrophobicContact CB-CG1 3.96Å; W124-I129 HydrophobicContact CE3-CG1 4.42Å; W124-I129 HydrophobicContact CG-CG1 4.49Å; W124-H132 HydrophobicContact CZ3-CB 4.12Å; W124-L302 HydrophobicContact CD2-CB 4.33Å; W124-L302 HydrophobicContact CD2-CD1 4.35Å; W124-L302 HydrophobicContact CG-CD1 4.25Å; W124-L302 HydrophobicContact CH2-CB 4.45Å; W124-L302 HydrophobicContact CZ2-CB 3.78Å; W124-L302 WeakPolarHBondContact CZ2-O 3.02Å; W124-N303 PolarHBondContact NE1-OD1 3.03Å; W124-L306 HydrophobicContact CH2-CD1 4.02Å; W124-L306 HydrophobicContact CH2-CD2 4.24Å; W124-L306 HydrophobicContact CH2-CG 4.18Å; W124-L306 HydrophobicContact CZ2-CD1 3.4Å; W124-L306 VanDerWaalsContact CZ2-CD1 3.4Å; W124-L306 HydrophobicContact CZ2-CD2 4.44Å; W124-L306 HydrophobicContact CZ2-CG 3.94Å
125S96.6Very high94.6Very high14 Ų1445.3 Ų45.310%0.09824%0.244CC..  trans-82.8164.2161.573.60000111.5Q119 D127 D128 I129Q119-S125 VanDerWaalsContact OE1-N 3.17Å; S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 3.3Å; S125-D127 PolarHBondContact OG-N 3.05Å; S125-D128 WeakPolarHBondContact CB-OD2 3.35Å; S125-D128 PolarHBondContact N-OD2 3.06Å; S125-D128 PolarHBondContact O-N 2.93Å; S125-D128 PolarHBondContact OG-N 3.37Å; S125-D128 PolarHBondContact OG-OD2 3.23Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.48Å; S125-I129 PolarHBondContact O-N 3.33Å
126M95.6Very high93.7Very high3 Ų350.8 Ų50.82%0.01527%0.266CS..Hα-helixtrans-63.3-34.7171-85-56.5-48.500112.4E89 I91 Y118 D128 I129 V130 N138 C142E89-M126 HydrophobicContact CB-CB 4.39Å; E89-M126 HydrophobicContact CB-CG 3.77Å; E89-M126 VanDerWaalsContact O-CB 3.27Å; E89-M126 WeakPolarHBondContact O-CB 3.37Å; E89-M126 WeakPolarHBondContact O-CG 3.36Å; E89-M126 PolarHBondContact O-N 2.81Å; I91-M126 HydrophobicContact CD1-CB 4.13Å; I91-M126 HydrophobicContact CD1-CG 4.32Å; I91-M126 HydrophobicContact CG1-CB 3.57Å; I91-M126 HydrophobicContact CG1-CG 4.2Å; Y118-M126 HydrophobicContact CD2-CG 3.81Å; Y118-M126 HydrophobicContact CD2-SD 4.24Å; Y118-M126 HydrophobicContact CE2-CG 3.59Å; Y118-M126 HydrophobicContact CE2-SD 3.77Å; M126-D128 VanDerWaalsContact C-N 3.32Å; M126-I129 PolarHBondContact O-N 2.83Å; M126-I129 HydrophobicContact SD-CD1 3.93Å; M126-V130 HydrophobicContact CE-CG2 4.16Å; M126-V130 WeakPolarHBondContact O-CB 3.36Å; M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.16Å; M126-V130 PolarHBondContact O-N 3.12Å; M126-N138 HydrophobicContact CE-CB 4.19Å; M126-C142 HydrophobicContact CE-CB 3.87Å; M126-C142 HydrophobicContact CG-CB 4.39Å; M126-C142 HydrophobicContact SD-CB 3.54Å; M126-C142 VanDerWaalsContact SD-CB 3.54Å
127D95.2Very high93Very high11 Ų1159 Ų596%0.05930%0.296CS..Hα-helixtrans-64.1-39.5174.7-78.10.6000110.8G90 S92 S125 V130 K131 K232 Y233G90-D127 PolarHBondContact O-N 2.8Å; S92-D127 WeakPolarHBondContact CB-OD2 3.36Å; S92-D127 PolarHBondContact N-OD2 3.14Å; S92-D127 PolarHBondContact OG-OD2 3.16Å; S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 3.3Å; S125-D127 PolarHBondContact OG-N 3.05Å; D127-V130 PolarHBondContact O-N 3.45Å; D127-K131 VanDerWaalsContact O-CG 3.25Å; D127-K131 WeakPolarHBondContact O-CG 3.41Å; D127-K131 PolarHBondContact O-N 2.89Å; D127-K232 VanDerWaalsContact CG-NZ 3.3Å; D127-K232 WeakPolarHBondContact OD1-CE 3.38Å; D127-K232 IonicContact OD1-NZ 2.95Å; D127-K232 PolarHBondContact OD1-NZ 2.93Å; D127-K232 IonicContact OD2-NZ 3.98Å; D127-K232 PolarHBondContact OD2-NZ 3.43Å; D127-Y233 WeakPolarHBondContact OD1-CE2 3.39Å; D127-Y233 PolarHBondContact OD1-OH 3.45Å
128D95.7Very high92.7Very high52 Ų5258.6 Ų58.628%0.27829%0.292SS..Hα-helixtrans-67.8-42.7175.6-58.7-39.2000112.2W124 S125 M126 V130 K131 H132W124-D128 HydrophobicContact CE3-CB 3.77Å; W124-D128 HydrophobicContact CZ3-CB 4.26Å; S125-D128 WeakPolarHBondContact CB-OD2 3.35Å; S125-D128 PolarHBondContact N-OD2 3.06Å; S125-D128 PolarHBondContact O-N 2.93Å; S125-D128 PolarHBondContact OG-N 3.37Å; S125-D128 PolarHBondContact OG-OD2 3.23Å; M126-D128 VanDerWaalsContact C-N 3.32Å; D128-V130 VanDerWaalsContact C-N 3.33Å; D128-V130 PolarHBondContact O-N 3.04Å; D128-K131 PolarHBondContact O-N 2.99Å; D128-K131 IonicContact OD1-NZ 3.67Å; D128-H132 WeakPolarHBondContact O-CB 3.26Å; D128-H132 PolarHBondContact O-N 3.02Å
129I94.9Very high92.4Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-57.7-48.2175.2-68.8163.5000110W124 S125 M126 K131 H132 I133 Y141 F145 L302W124-I129 HydrophobicContact CB-CD1 4.17Å; W124-I129 HydrophobicContact CB-CG1 3.96Å; W124-I129 HydrophobicContact CE3-CG1 4.42Å; W124-I129 HydrophobicContact CG-CG1 4.49Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.48Å; S125-I129 PolarHBondContact O-N 3.33Å; M126-I129 PolarHBondContact O-N 2.83Å; M126-I129 HydrophobicContact SD-CD1 3.93Å; I129-K131 PolarHBondContact O-N 3.22Å; I129-H132 PolarHBondContact O-N 3.3Å; I129-H132 VanDerWaalsContact O-N 3.13Å; I129-I133 HydrophobicContact CG2-CD1 3.72Å; I129-I133 HydrophobicContact CG2-CG1 4.24Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.14Å; I129-Y141 HydrophobicContact CG2-CD1 4.09Å; I129-Y141 HydrophobicContact CG2-CG 4Å; I129-F145 HydrophobicContact CD1-CD2 3.89Å; I129-F145 HydrophobicContact CD1-CE2 3.62Å; I129-L302 HydrophobicContact CD1-CD1 4.3Å; I129-L302 HydrophobicContact CG1-CD1 3.89Å; I129-L302 HydrophobicContact CG1-CD2 4.41Å; I129-L302 HydrophobicContact CG2-CD2 4.4Å
130V94Very high92.1Very high11 Ų1159.8 Ų59.87%0.06731%0.308CS..Hα-helixtrans-65.4-38.9-179.7172.60000111.8M126 D127 D128 H132 G134 N135 N138 Y233M126-V130 HydrophobicContact CE-CG2 4.16Å; M126-V130 WeakPolarHBondContact O-CB 3.36Å; M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.16Å; M126-V130 PolarHBondContact O-N 3.12Å; D127-V130 PolarHBondContact O-N 3.45Å; D128-V130 VanDerWaalsContact C-N 3.33Å; D128-V130 PolarHBondContact O-N 3.04Å; V130-H132 PolarHBondContact O-N 2.92Å; V130-G134 CarbonylContact O-C 3.55Å; V130-G134 WeakPolarHBondContact O-CA 3.24Å; V130-G134 PolarHBondContact O-N 2.9Å; V130-N135 WeakPolarHBondContact CG1-OD1 3Å; V130-N138 HydrophobicContact CG2-CB 3.54Å; V130-Y233 HydrophobicContact CB-CE1 4.05Å; V130-Y233 HydrophobicContact CB-CE2 4.38Å; V130-Y233 HydrophobicContact CG1-CD1 4.31Å; V130-Y233 HydrophobicContact CG1-CE1 3.59Å; V130-Y233 HydrophobicContact CG2-CD1 4.12Å; V130-Y233 HydrophobicContact CG2-CD2 4.1Å; V130-Y233 HydrophobicContact CG2-CE1 3.84Å; V130-Y233 HydrophobicContact CG2-CE2 3.8Å; V130-Y233 HydrophobicContact CG2-CG 4.24Å
131K94Very high92Very high164 Ų16454.2 Ų54.271%0.71328%0.277SS*.Hα-helixtrans-59.3-38.5172.7-72.6168.4-168.5165.80111.4D127 D128 I129D127-K131 VanDerWaalsContact O-CG 3.25Å; D127-K131 WeakPolarHBondContact O-CG 3.41Å; D127-K131 PolarHBondContact O-N 2.89Å; D128-K131 PolarHBondContact O-N 2.99Å; D128-K131 IonicContact OD1-NZ 3.67Å; I129-K131 PolarHBondContact O-N 3.22Å
132H92.6Very high92Very high89 Ų8953.1 Ų53.141%0.41227%0.272SS..Hα-helixtrans-78.2-47.3-176.2-168.380.8000113.7W124 D128 I129 V130W124-H132 HydrophobicContact CZ3-CB 4.12Å; D128-H132 WeakPolarHBondContact O-CB 3.26Å; D128-H132 PolarHBondContact O-N 3.02Å; I129-H132 PolarHBondContact O-N 3.3Å; I129-H132 VanDerWaalsContact O-N 3.13Å; V130-H132 PolarHBondContact O-N 2.92Å
133I90.7Very high91.8Very high48 Ų4854 Ų5425%0.24629%0.287CS..Hα-helixtrans-99.4-8.4-174.377.5-178.7000113.8I129 Y141 L302I129-I133 HydrophobicContact CG2-CD1 3.72Å; I129-I133 HydrophobicContact CG2-CG1 4.24Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.14Å; I133-Y141 HydrophobicContact CD1-CD2 3.38Å; I133-Y141 HydrophobicContact CD1-CE2 3.28Å; I133-Y141 HydrophobicContact CD1-CG 4.12Å; I133-L302 HydrophobicContact CG2-CD2 3.77Å
134G88.1Confident91.8Very high31 Ų3154 Ų5432%0.3228%0.276SS..  trans77.8-172.3-168.800000113.9V130 K136V130-G134 CarbonylContact O-C 3.55Å; V130-G134 WeakPolarHBondContact O-CA 3.24Å; V130-G134 PolarHBondContact O-N 2.9Å; G134-K136 VanDerWaalsContact C-N 3.34Å; G134-K136 PolarHBondContact O-N 3.45Å
135N82.4Confident91.8Very high88 Ų8853 Ų5347%0.47127%0.272SS..SBendtrans-76.8-18.3-175.9-70.9-37000113.9V130 R137 N138V130-N135 WeakPolarHBondContact CG1-OD1 3Å; N135-R137 PolarHBondContact O-N 3.33Å; N135-N138 VanDerWaalsContact O-CG 3.28Å; N135-N138 PolarHBondContact O-ND2 3.27Å; N135-N138 PolarHBondContact O-OD1 3.49Å
136K79Confident91.8Very high176 Ų17655.9 Ų55.977%0.76528%0.281SS*.THydrogen-bonded Turntrans-75.9128.2-179-70.5-175.7179.6177.90109.7G134 N138G134-K136 VanDerWaalsContact C-N 3.34Å; G134-K136 PolarHBondContact O-N 3.45Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.3Å
137R82.2Confident91.7Very high190 Ų19063.6 Ų63.672%0.71731%0.31SS*.THydrogen-bonded Turntrans716.4176.4-50.2177.6-75-172.1-3.2115.7N135 C139 T140 Y141N135-R137 PolarHBondContact O-N 3.33Å; R137-C139 VanDerWaalsContact C-N 3.3Å; R137-C139 PolarHBondContact O-N 3.01Å; R137-T140 WeakPolarHBondContact O-CA 3.46Å; R137-T140 WeakPolarHBondContact O-CB 3.49Å; R137-T140 PolarHBondContact O-N 3.44Å; R137-Y141 PolarHBondContact O-N 2.99Å
138N90Very high91.7Very high3 Ų363.8 Ų63.82%0.01631%0.31CS..Hα-helixtrans-54.8-40.9176.660-1.9000113.6M126 V130 N135 K136 T140 Y141 C142 Y233M126-N138 HydrophobicContact CE-CB 4.19Å; V130-N138 HydrophobicContact CG2-CB 3.54Å; N135-N138 VanDerWaalsContact O-CG 3.28Å; N135-N138 PolarHBondContact O-ND2 3.27Å; N135-N138 PolarHBondContact O-OD1 3.49Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.3Å; N138-T140 PolarHBondContact O-N 2.98Å; N138-Y141 WeakPolarHBondContact O-CB 3.4Å; N138-Y141 PolarHBondContact O-N 3.41Å; N138-Y141 VanDerWaalsContact O-N 3.13Å; N138-C142 PolarHBondContact O-N 3.31Å; N138-Y233 WeakPolarHBondContact ND2-CB 3.28Å
139C91.1Very high91.7Very high43 Ų4361.3 Ų61.329%0.29130%0.297SS..Hα-helixtrans-64.4-23.4176.5-61.90000112.9R137 G143 A237R137-C139 VanDerWaalsContact C-N 3.3Å; R137-C139 PolarHBondContact O-N 3.01Å; C139-G143 PolarHBondContact O-N 3.21Å; C139-A237 HydrophobicContact CB-CB 4.37Å
140T91.1Very high91.8Very high76 Ų7662.2 Ų62.247%0.46630%0.302SS..Hα-helixtrans-68.1-47.6173.1-57.30000110.3R137 N138 G143 I144R137-T140 WeakPolarHBondContact O-CA 3.46Å; R137-T140 WeakPolarHBondContact O-CB 3.49Å; R137-T140 PolarHBondContact O-N 3.44Å; N138-T140 PolarHBondContact O-N 2.98Å; T140-G143 PolarHBondContact O-N 2.77Å; T140-I144 HydrophobicContact CG2-CD1 3.72Å; T140-I144 WeakPolarHBondContact O-CD1 3.39Å; T140-I144 WeakPolarHBondContact O-CG1 3.44Å; T140-I144 PolarHBondContact O-N 3.35Å; T140-I144 VanDerWaalsContact O-N 3.11Å
141Y94.2Very high91.9Very high18 Ų1863.4 Ų63.47%0.07131%0.308CS..Hα-helixtrans-59-52.9174.9-77.1-102.6000110.8I129 I133 R137 N138 G143 I144 F145 L298 L302I129-Y141 HydrophobicContact CG2-CD1 4.09Å; I129-Y141 HydrophobicContact CG2-CG 4Å; I133-Y141 HydrophobicContact CD1-CD2 3.38Å; I133-Y141 HydrophobicContact CD1-CE2 3.28Å; I133-Y141 HydrophobicContact CD1-CG 4.12Å; R137-Y141 PolarHBondContact O-N 2.99Å; N138-Y141 WeakPolarHBondContact O-CB 3.4Å; N138-Y141 PolarHBondContact O-N 3.41Å; N138-Y141 VanDerWaalsContact O-N 3.13Å; Y141-G143 PolarHBondContact O-N 2.94Å; Y141-I144 PolarHBondContact O-N 3.07Å; Y141-F145 HydrophobicContact CD1-CE2 4.12Å; Y141-F145 HydrophobicContact CD1-CZ 4.09Å; Y141-F145 WeakPolarHBondContact O-CB 3.43Å; Y141-F145 WeakPolarHBondContact O-CG 3.23Å; Y141-F145 PolarHBondContact O-N 3.02Å; Y141-L298 HydrophobicContact CD1-CB 3.94Å; Y141-L298 HydrophobicContact CD1-CD1 3.91Å; Y141-L298 HydrophobicContact CD1-CD2 4.49Å; Y141-L298 HydrophobicContact CD1-CG 4.33Å; Y141-L298 HydrophobicContact CD2-CD1 4.44Å; Y141-L298 HydrophobicContact CE1-CB 3.65Å; Y141-L298 HydrophobicContact CE1-CD1 4.13Å; Y141-L298 HydrophobicContact CE1-CD2 3.88Å; Y141-L298 HydrophobicContact CE1-CG 4.08Å; Y141-L298 HydrophobicContact CE2-CD2 4.17Å; Y141-L298 HydrophobicContact CG-CD1 4.08Å; Y141-L302 HydrophobicContact CD1-CD1 4.02Å; Y141-L302 HydrophobicContact CD1-CG 4.49Å; Y141-L302 HydrophobicContact CE1-CD1 3.9Å; Y141-L302 HydrophobicContact CE1-CD2 4.08Å; Y141-L302 HydrophobicContact CE1-CG 3.89Å
142C94.8Very high91.9Very high17 Ų1758.5 Ų58.512%0.11529%0.287CS..Hα-helixtrans-53.1-50177.2-169.90000111.7Y118 M126 N138 I144 R146Y118-C142 PolarHBondContact OH-O 2.94Å; M126-C142 HydrophobicContact CE-CB 3.87Å; M126-C142 HydrophobicContact CG-CB 4.39Å; M126-C142 HydrophobicContact SD-CB 3.54Å; M126-C142 VanDerWaalsContact SD-CB 3.54Å; N138-C142 PolarHBondContact O-N 3.31Å; C142-I144 VanDerWaalsContact C-N 3.34Å; C142-I144 PolarHBondContact O-N 3.43Å; C142-R146 WeakPolarHBondContact O-CB 3.24Å; C142-R146 PolarHBondContact O-N 2.98Å
143G93.7Very high92.1Very high37 Ų3754.3 Ų54.338%0.38127%0.267SS..Hα-helixtrans-62-39.1-178.400000113.7C139 T140 Y141 R147C139-G143 PolarHBondContact O-N 3.21Å; T140-G143 PolarHBondContact O-N 2.77Å; Y141-G143 PolarHBondContact O-N 2.94Å; G143-R147 PolarHBondContact O-N 3.05Å
144I94.6Very high92.4Very high41 Ų4152 Ų5221%0.2126%0.255CS..Hα-helixtrans-72.9-48.2-178.8-70.8160.5000110.8T140 Y141 C142 R147 Q148 Q294 A295 L298T140-I144 HydrophobicContact CG2-CD1 3.72Å; T140-I144 WeakPolarHBondContact O-CD1 3.39Å; T140-I144 WeakPolarHBondContact O-CG1 3.44Å; T140-I144 PolarHBondContact O-N 3.35Å; T140-I144 VanDerWaalsContact O-N 3.11Å; Y141-I144 PolarHBondContact O-N 3.07Å; C142-I144 VanDerWaalsContact C-N 3.34Å; C142-I144 PolarHBondContact O-N 3.43Å; I144-R147 PolarHBondContact O-N 3.25Å; I144-Q148 PolarHBondContact O-N 3.26Å; I144-Q294 HydrophobicContact CD1-CB 4.4Å; I144-Q294 HydrophobicContact CD1-CG 3.53Å; I144-Q294 HydrophobicContact CG1-CG 4.39Å; I144-Q294 HydrophobicContact CG2-CB 4.27Å; I144-Q294 HydrophobicContact CG2-CG 4.4Å; I144-A295 HydrophobicContact CG2-CB 3.78Å; I144-L298 HydrophobicContact CB-CD1 4.29Å; I144-L298 HydrophobicContact CD1-CD1 3.49Å; I144-L298 VanDerWaalsContact CD1-CD1 3.49Å; I144-L298 HydrophobicContact CG1-CD1 4.5Å; I144-L298 HydrophobicContact CG2-CD1 4.3Å
145F96.7Very high92.7Very high1 Ų155.2 Ų55.20%0.00427%0.265CS..Hα-helixtrans-64.7-42177.7-68.4-11.1000111.4Y118 Y122 I129 Y141 R147 Q148 A149 A295 L298 L299 L302Y118-F145 HydrophobicContact CD1-CB 4.48Å; Y118-F145 HydrophobicContact CD2-CB 4.48Å; Y118-F145 HydrophobicContact CD2-CD2 4.45Å; Y118-F145 HydrophobicContact CE1-CB 3.87Å; Y118-F145 HydrophobicContact CE2-CB 3.88Å; Y118-F145 HydrophobicContact CE2-CD2 4.35Å; Y122-F145 HydrophobicContact CD2-CB 4.19Å; Y122-F145 HydrophobicContact CD2-CD2 4.16Å; Y122-F145 HydrophobicContact CD2-CG 4.13Å; Y122-F145 HydrophobicContact CE2-CB 3.66Å; Y122-F145 HydrophobicContact CE2-CD2 4.46Å; Y122-F145 AromaticContact CE2-CG 4Å; Y122-F145 HydrophobicContact CE2-CG 4Å; Y122-F145 PolarHBondContact OH-O 3.33Å; Y122-F145 VanDerWaalsContact OH-O 3.14Å; I129-F145 HydrophobicContact CD1-CD2 3.89Å; I129-F145 HydrophobicContact CD1-CE2 3.62Å; Y141-F145 HydrophobicContact CD1-CE2 4.12Å; Y141-F145 HydrophobicContact CD1-CZ 4.09Å; Y141-F145 WeakPolarHBondContact O-CB 3.43Å; Y141-F145 WeakPolarHBondContact O-CG 3.23Å; Y141-F145 PolarHBondContact O-N 3.02Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 2.95Å; F145-Q148 PolarHBondContact O-N 3.29Å; F145-A149 WeakPolarHBondContact O-CB 3.41Å; F145-A149 PolarHBondContact O-N 2.88Å; F145-A295 HydrophobicContact CD1-CB 4.09Å; F145-A295 HydrophobicContact CE1-CB 4.19Å; F145-L298 HydrophobicContact CE1-CB 4.08Å; F145-L298 HydrophobicContact CZ-CB 4.11Å; F145-L299 HydrophobicContact CZ-CB 4.46Å; F145-L302 HydrophobicContact CE2-CD1 4.05Å; F145-L302 HydrophobicContact CZ-CD1 4.08Å
146R96.1Very high93.4Very high74 Ų7456.9 Ų56.928%0.27927%0.273SS..Hα-helixtrans-57.5-44.2176.5-170.4-175.6-65.1-103.3-2.2111.5E89 Y118 C142 A149 L150E89-R146 IonicContact OE1-CZ 3.45Å; E89-R146 IonicContact OE1-NE 3.58Å; E89-R146 IonicContact OE1-NH1 2.69Å; E89-R146 PolarHBondContact OE1-NH1 2.89Å; E89-R146 IonicContact OE1-NH2 3.68Å; E89-R146 PolarHBondContact OE1-NH2 2.68Å; E89-R146 IonicContact OE2-NH2 2.69Å; E89-R146 PolarHBondContact OE2-NH2 3.24Å; Y118-R146 VanDerWaalsContact OH-CA 3.26Å; Y118-R146 WeakPolarHBondContact OH-CA 3.28Å; Y118-R146 VanDerWaalsContact OH-CB 3.27Å; Y118-R146 WeakPolarHBondContact OH-CB 3.5Å; Y118-R146 PolarHBondContact OH-N 3.19Å; C142-R146 WeakPolarHBondContact O-CB 3.24Å; C142-R146 PolarHBondContact O-N 2.98Å; R146-A149 PolarHBondContact O-N 2.76Å; R146-L150 HydrophobicContact CG-CD1 4.34Å; R146-L150 WeakPolarHBondContact O-CB 3.46Å; R146-L150 WeakPolarHBondContact O-CG 3.33Å; R146-L150 PolarHBondContact O-N 3.39Å
147R94.4Very high94.2Very high166 Ų16650.2 Ų50.263%0.62625%0.245SC*.Hα-helixtrans-62.3-50.6-179.4-173.5175.6-66.2160.81.8110.8G143 I144 F145 L150 D151 R203G143-R147 PolarHBondContact O-N 3.05Å; I144-R147 PolarHBondContact O-N 3.25Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 2.95Å; R147-L150 WeakPolarHBondContact O-CB 3.32Å; R147-L150 PolarHBondContact O-N 3.48Å; R147-D151 PolarHBondContact O-N 3.39Å; R147-D151 VanDerWaalsContact O-N 3.1Å; R147-R203 VanDerWaalsContact CG-NH2 3.34Å; R147-R203 PolarHBondContact O-NH2 3.05Å
148Q95Very high94.8Very high15 Ų1543.6 Ų43.67%0.0724%0.236CC..Hα-helixtrans-66-38.8-179.8-170.5-170.956.700112Y122 I144 F145 L150 D151 K152 C284 A295Y122-Q148 PolarHBondContact OH-OE1 3.35Å; I144-Q148 PolarHBondContact O-N 3.26Å; F145-Q148 PolarHBondContact O-N 3.29Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.95Å; Q148-D151 PolarHBondContact O-N 2.92Å; Q148-K152 WeakPolarHBondContact O-CG 3.44Å; Q148-K152 PolarHBondContact O-N 2.87Å; Q148-C284 PolarHBondContact NE2-SG 3.47Å; Q148-C284 VanDerWaalsContact NE2-SG 3.4Å; Q148-A295 HydrophobicContact CB-CB 4.48Å
149A96.7Very high95.2Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-61.8-40.1175.500000111.9I87 Y118 L121 Y122 F145 R146 K152 G153I87-A149 HydrophobicContact CD1-CB 3.78Å; I87-A149 HydrophobicContact CG1-CB 4.14Å; I87-A149 HydrophobicContact CG2-CB 3.84Å; Y118-A149 HydrophobicContact CE1-CB 4.37Å; L121-A149 HydrophobicContact CD1-CB 3.45Å; L121-A149 VanDerWaalsContact CD1-CB 3.45Å; Y122-A149 HydrophobicContact CE2-CB 4.48Å; Y122-A149 PolarHBondContact OH-N 2.94Å; F145-A149 WeakPolarHBondContact O-CB 3.41Å; F145-A149 PolarHBondContact O-N 2.88Å; R146-A149 PolarHBondContact O-N 2.76Å; A149-K152 PolarHBondContact O-N 2.85Å; A149-G153 PolarHBondContact O-N 3.38Å
150L96.8Very high95.5Very high19 Ų1944.8 Ų44.810%0.09924%0.241CC..Hα-helixtrans-63.1-41.3172.6-75.8170.3000112.3L85 I87 R146 R147 Q148 A154L85-L150 HydrophobicContact CD2-CD2 3.8Å; L85-L150 VanDerWaalsContact CD2-O 3.31Å; L85-L150 WeakPolarHBondContact CD2-O 3.33Å; L85-L150 HydrophobicContact CG-CD2 4.01Å; I87-L150 HydrophobicContact CD1-CD2 4.22Å; I87-L150 HydrophobicContact CD1-CG 4.45Å; I87-L150 HydrophobicContact CG1-CD2 3.87Å; I87-L150 HydrophobicContact CG1-CG 3.99Å; R146-L150 HydrophobicContact CG-CD1 4.34Å; R146-L150 WeakPolarHBondContact O-CB 3.46Å; R146-L150 WeakPolarHBondContact O-CG 3.33Å; R146-L150 PolarHBondContact O-N 3.39Å; R147-L150 WeakPolarHBondContact O-CB 3.32Å; R147-L150 PolarHBondContact O-N 3.48Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.95Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.21Å; L150-A154 PolarHBondContact O-N 2.94Å
151D95.1Very high95.8Very high36 Ų3642.1 Ų42.119%0.19322%0.223CC..Hα-helixtrans-63.3-49.9176.5-69.4-38.2000110.7R147 Q148 G153 A154 L155 L201 R203R147-D151 PolarHBondContact O-N 3.39Å; R147-D151 VanDerWaalsContact O-N 3.1Å; Q148-D151 PolarHBondContact O-N 2.92Å; D151-G153 VanDerWaalsContact C-N 3.34Å; D151-G153 PolarHBondContact O-N 3.23Å; D151-A154 PolarHBondContact O-N 3.05Å; D151-L155 WeakPolarHBondContact O-CG 3.42Å; D151-L155 PolarHBondContact O-N 3.44Å; D151-L201 HydrophobicContact CB-CD1 4.47Å; D151-L201 WeakPolarHBondContact O-CD1 3.42Å; D151-R203 IonicContact OD1-CZ 2.93Å; D151-R203 IonicContact OD1-NE 2.82Å; D151-R203 PolarHBondContact OD1-NE 2.96Å; D151-R203 IonicContact OD1-NH2 2.79Å; D151-R203 PolarHBondContact OD1-NH2 3.21Å; D151-R203 IonicContact OD2-CZ 3.36Å; D151-R203 IonicContact OD2-NH2 2.81Å; D151-R203 PolarHBondContact OD2-NH2 3.03Å
152K94.8Very high96Very high61 Ų6141.3 Ų41.327%0.26522%0.22SC..Hα-helixtrans-58.1-45.5177.5-71.7-178.2175.4-174.70111.7L121 Q148 A149 L155 L156L121-K152 HydrophobicContact CD2-CD 4.07Å; Q148-K152 WeakPolarHBondContact O-CG 3.44Å; Q148-K152 PolarHBondContact O-N 2.87Å; A149-K152 PolarHBondContact O-N 2.85Å; K152-L155 PolarHBondContact O-N 2.95Å; K152-L156 WeakPolarHBondContact O-CG 3.43Å; K152-L156 PolarHBondContact O-N 2.93Å
153G96.6Very high96.2Very high0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-66.4-37.5179.700000113.7A149 D151 L156 L157A149-G153 PolarHBondContact O-N 3.38Å; D151-G153 VanDerWaalsContact C-N 3.34Å; D151-G153 PolarHBondContact O-N 3.23Å; G153-L156 PolarHBondContact O-N 3.19Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 WeakPolarHBondContact O-CG 3.31Å; G153-L157 PolarHBondContact O-N 3.4Å; G153-L157 VanDerWaalsContact O-N 3.1Å
154A97Very high96.3Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-65.1-4317500000111.4A53 L85 L150 D151 L157 G158 A159 I162 L201A53-A154 HydrophobicContact CB-CB 3.96Å; L85-A154 HydrophobicContact CD2-CB 4.33Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.21Å; L150-A154 PolarHBondContact O-N 2.94Å; D151-A154 PolarHBondContact O-N 3.05Å; A154-L157 PolarHBondContact O-N 3.13Å; A154-G158 PolarHBondContact O-N 2.78Å; A154-A159 HydrophobicContact CB-CB 4.18Å; A154-A159 WeakPolarHBondContact O-CB 3.35Å; A154-A159 PolarHBondContact O-N 3.26Å; A154-I162 HydrophobicContact CB-CD1 3.7Å; A154-I162 HydrophobicContact CB-CG1 3.61Å; A154-L201 HydrophobicContact CB-CD1 3.75Å; A154-L201 HydrophobicContact CB-CD2 3.95Å
155L94.9Very high96.5Very high99 Ų9938.1 Ų38.152%0.51820%0.196SC..Hα-helixtrans-61.6-44.7174.6-67.1175.4000112.2D151 K152 L157 G158 I200 L201D151-L155 WeakPolarHBondContact O-CG 3.42Å; D151-L155 PolarHBondContact O-N 3.44Å; K152-L155 PolarHBondContact O-N 2.95Å; L155-L157 PolarHBondContact O-N 3.39Å; L155-G158 PolarHBondContact O-N 2.69Å; L155-I200 HydrophobicContact CD2-CG2 4.07Å; L155-L201 HydrophobicContact CD1-CD1 4.47Å; L155-L201 HydrophobicContact CD2-CD1 3.56Å; L155-L201 HydrophobicContact CD2-CG 4.01Å; L155-L201 HydrophobicContact CG-CD1 3.57Å
156L95.8Very high96.5Very high122 Ų12241.2 Ų41.264%0.63921%0.211SC*.Hα-helixtrans-61.5-31.4177.8-74173000113L116 K152 G153 G158L116-L156 HydrophobicContact CD1-CD1 4.31Å; L116-L156 HydrophobicContact CD2-CD1 4.1Å; K152-L156 WeakPolarHBondContact O-CG 3.43Å; K152-L156 PolarHBondContact O-N 2.93Å; G153-L156 PolarHBondContact O-N 3.19Å; L156-G158 VanDerWaalsContact C-N 3.27Å
157L95.6Very high96.5Very high36 Ų3637.7 Ų37.719%0.18820%0.197CC..THydrogen-bonded Turntrans-80.1-6.6175.3-82.1173.8000113.3K51 L83 L85 K114 G153 A154 L155 A159K51-L157 WeakPolarHBondContact CE-O 3.47Å; L83-L157 HydrophobicContact CB-CD1 4.2Å; L83-L157 HydrophobicContact CD1-CB 3.99Å; L83-L157 HydrophobicContact CD1-CD1 4.25Å; L83-L157 HydrophobicContact CD1-CD2 4.36Å; L83-L157 HydrophobicContact CD1-CG 4.45Å; L85-L157 HydrophobicContact CB-CD1 4.24Å; L85-L157 HydrophobicContact CD1-CD1 4.34Å; K114-L157 HydrophobicContact CB-CD1 3.82Å; K114-L157 HydrophobicContact CB-CD2 3.87Å; K114-L157 HydrophobicContact CB-CG 3.91Å; K114-L157 HydrophobicContact CG-CG 4.41Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 WeakPolarHBondContact O-CG 3.31Å; G153-L157 PolarHBondContact O-N 3.4Å; G153-L157 VanDerWaalsContact O-N 3.1Å; A154-L157 PolarHBondContact O-N 3.13Å; L155-L157 PolarHBondContact O-N 3.39Å; L157-A159 PolarHBondContact O-N 2.83Å
158G96.3Very high96.6Very high51 Ų5129.8 Ų29.853%0.52617%0.168SC..THydrogen-bonded Turntrans67.419.8-171.400000113.3K51 A154 L155 L156K51-G158 WeakPolarHBondContact CD-O 3.39Å; A154-G158 PolarHBondContact O-N 2.78Å; L155-G158 PolarHBondContact O-N 2.69Å; L156-G158 VanDerWaalsContact C-N 3.27Å
159A97.7Very high96.7Very high8 Ų829.2 Ų29.27%0.06617%0.165CC..  trans-68.9147.6176.600000110.8K51 A53 A154 L157 L201K51-A159 CarbonylContact O-C 3.56Å; K51-A159 WeakPolarHBondContact O-CA 3.48Å; K51-A159 VanDerWaalsContact O-CB 3.26Å; K51-A159 WeakPolarHBondContact O-CB 3.3Å; A53-A159 HydrophobicContact CB-CB 3.8Å; A154-A159 HydrophobicContact CB-CB 4.18Å; A154-A159 WeakPolarHBondContact O-CB 3.35Å; A154-A159 PolarHBondContact O-N 3.26Å; L157-A159 PolarHBondContact O-N 2.83Å; A159-L201 WeakPolarHBondContact O-CD2 3.45Å
160N97.1Very high96.7Very high63 Ų6330.3 Ų30.334%0.33717%0.171SC..SBendtrans-107.2-10.8174.970.8-18.1000112.7D50 K51 P202D50-N160 PolarHBondContact OD1-ND2 3.38Å; K51-N160 PolarHBondContact N-OD1 2.84Å; K51-N160 PolarHBondContact O-N 2.83Å; K51-N160 PolarHBondContact O-OD1 3.34Å; N160-P202 WeakPolarHBondContact O-CD 3.44Å
161K97.9Very high96.6Very high21 Ų2129.4 Ų29.49%0.09117%0.166CC..EExtended strand (participates in β ladder)trans-142152.3175.4-54.5-169.5173.7164.20111.3L45 D50 K51 I52 A53 P202 F204L45-K161 PolarHBondContact O-NZ 3.35Å; D50-K161 WeakPolarHBondContact OD1-CE 3.41Å; D50-K161 IonicContact OD1-NZ 2.62Å; D50-K161 WeakPolarHBondContact OD2-CD 3.27Å; D50-K161 VanDerWaalsContact OD2-CE 3.22Å; D50-K161 WeakPolarHBondContact OD2-CE 3.2Å; D50-K161 IonicContact OD2-NZ 2.84Å; D50-K161 PolarHBondContact OD2-NZ 3.41Å; K51-K161 PolarHBondContact O-N 3.06Å; I52-K161 HydrophobicContact CG1-CB 4.47Å; A53-K161 PolarHBondContact N-O 2.96Å; K161-P202 WeakPolarHBondContact CA-O 2.97Å; K161-P202 HydrophobicContact CG-CG 4.08Å; K161-F204 HydrophobicContact CB-CD1 4.22Å; K161-F204 HydrophobicContact CB-CE1 3.86Å; K161-F204 HydrophobicContact CD-CD1 4.42Å; K161-F204 HydrophobicContact CD-CE1 4.23Å
162I98.1Very high96.7Very high0 Ų027.7 Ų27.70%016%0.157CC..EExtended strand (participates in β ladder)trans-114.1128.5171.3-59169.9000109.7A53 A154 T164 L201 P202 R203 F204A53-I162 HydrophobicContact CB-CG1 4.44Å; A53-I162 CarbonylContact O-C 3.45Å; A53-I162 VanDerWaalsContact O-CA 3.32Å; A53-I162 WeakPolarHBondContact O-CA 3.27Å; A154-I162 HydrophobicContact CB-CD1 3.7Å; A154-I162 HydrophobicContact CB-CG1 3.61Å; I162-T164 HydrophobicContact CG2-CG2 4.09Å; I162-L201 HydrophobicContact CD1-CB 4.43Å; I162-L201 HydrophobicContact CD1-CD1 4.35Å; I162-L201 HydrophobicContact CG1-CD2 4.45Å; I162-P202 PolarHBondContact N-O 3.43Å; I162-R203 HydrophobicContact CB-CG 4.11Å; I162-R203 HydrophobicContact CD1-CG 4.44Å; I162-R203 CarbonylContact O-C 3.56Å; I162-R203 VanDerWaalsContact O-CA 3.23Å; I162-R203 WeakPolarHBondContact O-CA 3.5Å; I162-F204 WeakPolarHBondContact O-CD1 3.34Å; I162-F204 PolarHBondContact O-N 2.91Å
163C98.3Very high96.7Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-105.2136.6173-1690000110.6I52 A53 I54 G55 L69 F204 P206I52-C163 HydrophobicContact CG2-CB 3.76Å; A53-C163 PolarHBondContact O-N 2.78Å; I54-C163 HydrophobicContact CG1-CB 4.39Å; G55-C163 PolarHBondContact N-O 3.49Å; L69-C163 HydrophobicContact CD1-CB 4.19Å; C163-F204 HydrophobicContact CB-CD2 4.5Å; C163-F204 HydrophobicContact CB-CE1 3.88Å; C163-F204 HydrophobicContact CB-CE2 3.87Å; C163-F204 HydrophobicContact CB-CZ 3.52Å; C163-F204 WeakPolarHBondContact SG-CE2 3.43Å; C163-P206 WeakPolarHBondContact SG-CD 3.43Å; C163-P206 VanDerWaalsContact SG-CG 3.55Å
164T97.6Very high96.6Very high16 Ų1626.3 Ų26.310%0.09815%0.153CC..  trans-132147.9177.7640000112I162 H166 F204I162-T164 HydrophobicContact CG2-CG2 4.09Å; T164-H166 PolarHBondContact O-N 3.49Å; T164-H166 PolarHBondContact OG1-ND1 3.49Å; T164-F204 PolarHBondContact N-O 3.09Å; T164-F204 VanDerWaalsContact N-O 3.13Å
165G97.2Very high96.5Very high12 Ų1226.4 Ų26.412%0.12415%0.154CC..  trans-7824.1-176.200000115.3D61 N167D61-G165 WeakPolarHBondContact CB-O 3.23Å; G165-N167 PolarHBondContact O-N 3.18Å
166H96.7Very high96.5Very high66 Ų6622.9 Ų22.931%0.30614%0.136SC..  trans-65.5123.4178.8-7291.8000110.3T164 D170 K205 F207T164-H166 PolarHBondContact O-N 3.49Å; T164-H166 PolarHBondContact OG1-ND1 3.49Å; H166-D170 WeakPolarHBondContact CA-OD2 3.38Å; H166-D170 HydrophobicContact CB-CB 4.29Å; H166-K205 HydrophobicContact CB-CD 3.79Å; H166-K205 HydrophobicContact CB-CG 4.06Å; H166-F207 CarbonylContact O-C 3.55Å; H166-F207 WeakPolarHBondContact O-CB 3.36Å
167N97.1Very high96.4Very high0 Ų017.9 Ų17.90%011%0.109CC..  trans-99-176.9-173.965.539.4000112.5D61 G165 D169 D170 I171 F207 A210 I215D61-N167 PolarHBondContact OD1-ND2 3.2Å; G165-N167 PolarHBondContact O-N 3.18Å; N167-D169 VanDerWaalsContact C-N 3.35Å; N167-D169 PolarHBondContact O-N 3.44Å; N167-D169 WeakPolarHBondContact OD1-CB 3.47Å; N167-D169 PolarHBondContact OD1-N 3.4Å; N167-D169 VanDerWaalsContact OD1-N 3.09Å; N167-D170 PolarHBondContact N-OD2 2.87Å; N167-D170 PolarHBondContact O-N 3.24Å; N167-D170 PolarHBondContact OD1-N 2.93Å; N167-D170 PolarHBondContact OD1-OD2 3.14Å; N167-I171 WeakPolarHBondContact O-CG1 3.37Å; N167-I171 PolarHBondContact O-N 3.01Å; N167-F207 CarbonylContact C-O 3.55Å; N167-F207 VanDerWaalsContact CA-O 3.3Å; N167-F207 WeakPolarHBondContact CA-O 3.33Å; N167-F207 HydrophobicContact CB-CB 4.24Å; N167-A210 WeakPolarHBondContact CB-O 3.49Å; N167-I215 HydrophobicContact CB-CD1 3.37Å
168A96.9Very high96.2Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-62-41.9-179.400000112.1D170 I171 A172 F207 K208 A210 Y211 I257 I258 I261A168-D170 PolarHBondContact O-N 3.3Å; A168-I171 PolarHBondContact O-N 2.69Å; A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.42Å; A168-F207 PolarHBondContact N-O 2.86Å; A168-K208 VanDerWaalsContact CA-O 3.28Å; A168-K208 WeakPolarHBondContact CA-O 3.44Å; A168-K208 WeakPolarHBondContact CB-O 3.22Å; A168-A210 VanDerWaalsContact CB-O 3.22Å; A168-A210 WeakPolarHBondContact CB-O 3.4Å; A168-A210 PolarHBondContact N-O 3.28Å; A168-Y211 HydrophobicContact CB-CD2 4.35Å; A168-I257 HydrophobicContact CB-CG2 3.68Å; A168-I258 HydrophobicContact CB-CD1 4.33Å; A168-I261 HydrophobicContact CB-CD1 3.89Å
169D96.7Very high96Very high3 Ų317.9 Ų17.92%0.01610%0.097CC..Hα-helixtrans-59.1-46.9176.1-57.7-122.5000110.8N167 I171 A172 E173 E212 K247 I257N167-D169 VanDerWaalsContact C-N 3.35Å; N167-D169 PolarHBondContact O-N 3.44Å; N167-D169 WeakPolarHBondContact OD1-CB 3.47Å; N167-D169 PolarHBondContact OD1-N 3.4Å; N167-D169 VanDerWaalsContact OD1-N 3.09Å; D169-I171 VanDerWaalsContact C-N 3.29Å; D169-I171 PolarHBondContact O-N 2.83Å; D169-A172 PolarHBondContact O-N 2.81Å; D169-E173 WeakPolarHBondContact O-CB 3.44Å; D169-E173 VanDerWaalsContact O-CG 3.28Å; D169-E173 WeakPolarHBondContact O-CG 3.43Å; D169-E173 PolarHBondContact O-N 3Å; D169-E212 HydrophobicContact CB-CB 4.22Å; D169-E212 WeakPolarHBondContact OD2-CB 3.26Å; D169-E212 PolarHBondContact OD2-N 2.81Å; D169-K247 IonicContact OD1-NZ 2.74Å; D169-K247 PolarHBondContact OD1-NZ 2.92Å; D169-I257 VanDerWaalsContact OD1-CD1 3.31Å; D169-I257 WeakPolarHBondContact OD1-CD1 3.5Å
170D96Very high95.7Very high23 Ų2322.1 Ų22.112%0.12312%0.118CC..Hα-helixtrans-58.5-38.8177.5-75.5-55.4000113.2H166 N167 A168 T174 R239H166-D170 WeakPolarHBondContact CA-OD2 3.38Å; H166-D170 HydrophobicContact CB-CB 4.29Å; N167-D170 PolarHBondContact N-OD2 2.87Å; N167-D170 PolarHBondContact O-N 3.24Å; N167-D170 PolarHBondContact OD1-N 2.93Å; N167-D170 PolarHBondContact OD1-OD2 3.14Å; A168-D170 PolarHBondContact O-N 3.3Å; D170-T174 WeakPolarHBondContact O-CB 3.46Å; D170-T174 PolarHBondContact O-N 3.06Å; D170-T174 PolarHBondContact O-OG1 3.3Å; D170-R239 IonicContact OD1-NH1 2.76Å; D170-R239 PolarHBondContact OD1-NH1 3.26Å
171I95.7Very high95.4Very high1 Ų125.3 Ų25.31%0.00513%0.125CC..Hα-helixtrans-73.6-43.1-179.8-63.9173.5000109.7N167 A168 D169 T174 V175 T191 K205 K208 I261N167-I171 WeakPolarHBondContact O-CG1 3.37Å; N167-I171 PolarHBondContact O-N 3.01Å; A168-I171 PolarHBondContact O-N 2.69Å; D169-I171 VanDerWaalsContact C-N 3.29Å; D169-I171 PolarHBondContact O-N 2.83Å; I171-T174 WeakPolarHBondContact O-CB 3.39Å; I171-T174 PolarHBondContact O-N 3.2Å; I171-T174 VanDerWaalsContact O-N 3.12Å; I171-V175 WeakPolarHBondContact O-CG2 3.39Å; I171-V175 PolarHBondContact O-N 3.36Å; I171-T191 HydrophobicContact CG2-CG2 4.18Å; I171-K205 HydrophobicContact CD1-CD 4.31Å; I171-K208 HydrophobicContact CD1-CB 3.74Å; I171-K208 HydrophobicContact CD1-CD 4.44Å; I171-K208 HydrophobicContact CD1-CG 3.55Å; I171-I261 HydrophobicContact CB-CD1 4.18Å; I171-I261 HydrophobicContact CB-CG1 4.29Å; I171-I261 HydrophobicContact CG2-CD1 4.24Å; I171-I261 HydrophobicContact CG2-CG1 3.92Å; I171-I261 HydrophobicContact CG2-CG2 4.41Å
172A96.1Very high94.8Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-60.5-44.7174.600000111.5A168 D169 T174 V175 L176 I246 I257 I260 I261A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.42Å; D169-A172 PolarHBondContact O-N 2.81Å; A172-T174 VanDerWaalsContact C-N 3.29Å; A172-T174 PolarHBondContact O-N 3.12Å; A172-V175 PolarHBondContact O-N 2.91Å; A172-L176 PolarHBondContact O-N 3.23Å; A172-I246 HydrophobicContact CB-CD1 4.08Å; A172-I257 HydrophobicContact CB-CG2 4.1Å; A172-I260 HydrophobicContact CB-CB 4.2Å; A172-I260 HydrophobicContact CB-CG2 3.95Å; A172-I261 HydrophobicContact CB-CG1 4.4Å
173E96Very high94.1Very high3 Ų329.2 Ų29.21%0.01416%0.16CC..Hα-helixtrans-55.5-45.2171.7-74.4174.6-169.600111D169 L176 M177 R239 V242 R243 I246D169-E173 WeakPolarHBondContact O-CB 3.44Å; D169-E173 VanDerWaalsContact O-CG 3.28Å; D169-E173 WeakPolarHBondContact O-CG 3.43Å; D169-E173 PolarHBondContact O-N 3Å; E173-L176 PolarHBondContact O-N 3.31Å; E173-M177 VanDerWaalsContact O-CB 3.24Å; E173-M177 WeakPolarHBondContact O-CB 3.1Å; E173-M177 WeakPolarHBondContact O-CG 3.24Å; E173-M177 PolarHBondContact O-N 3.19Å; E173-R239 WeakPolarHBondContact OE2-CD 3.42Å; E173-R239 WeakPolarHBondContact OE2-CG 3.17Å; E173-R239 IonicContact OE2-NE 3.2Å; E173-R239 IonicContact OE2-NH1 3.31Å; E173-V242 HydrophobicContact CB-CG1 4.48Å; E173-R243 HydrophobicContact CG-CB 4.38Å; E173-R243 VanDerWaalsContact OE1-CB 3.3Å; E173-R243 WeakPolarHBondContact OE1-CB 3.22Å; E173-R243 WeakPolarHBondContact OE1-CG 3.21Å; E173-R243 IonicContact OE1-CZ 3.97Å; E173-R243 IonicContact OE1-NE 3.56Å; E173-R243 PolarHBondContact OE1-NE 2.73Å; E173-R243 IonicContact OE1-NH2 3.6Å; E173-R243 IonicContact OE2-NE 2.74Å; E173-R243 IonicContact OE2-NH2 3.74Å; E173-I246 HydrophobicContact CB-CD1 4.27Å; E173-I246 HydrophobicContact CG-CD1 3.89Å
174T94.4Very high93.2Very high28 Ų2832.8 Ų32.817%0.17218%0.178CC..Hα-helixtrans-66.9-42-179.2-58.70000112.2D170 I171 A172 N178 C190 R239D170-T174 WeakPolarHBondContact O-CB 3.46Å; D170-T174 PolarHBondContact O-N 3.06Å; D170-T174 PolarHBondContact O-OG1 3.3Å; I171-T174 WeakPolarHBondContact O-CB 3.39Å; I171-T174 PolarHBondContact O-N 3.2Å; I171-T174 VanDerWaalsContact O-N 3.12Å; A172-T174 VanDerWaalsContact C-N 3.29Å; A172-T174 PolarHBondContact O-N 3.12Å; T174-N178 WeakPolarHBondContact O-CB 3.2Å; T174-N178 VanDerWaalsContact O-CG 3.24Å; T174-N178 PolarHBondContact O-N 3.2Å; T174-N178 PolarHBondContact O-ND2 3.38Å; T174-N178 VanDerWaalsContact O-ND2 3.12Å; T174-C190 HydrophobicContact CG2-CB 3.75Å; T174-R239 PolarHBondContact OG1-NH2 3.49Å
175V94.5Very high92.1Very high2 Ų232.5 Ų32.51%0.01218%0.179CC..Hα-helixtrans-58-52.9175170.20000109.5I171 A172 N178 I179 L187 T191 I260I171-V175 WeakPolarHBondContact O-CG2 3.39Å; I171-V175 PolarHBondContact O-N 3.36Å; A172-V175 PolarHBondContact O-N 2.91Å; V175-N178 PolarHBondContact O-N 3.42Å; V175-I179 HydrophobicContact CG1-CD1 4.01Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 3.06Å; V175-L187 HydrophobicContact CG1-CD2 4.38Å; V175-L187 WeakPolarHBondContact O-CD2 2.99Å; V175-T191 HydrophobicContact CG2-CG2 3.53Å; V175-I260 HydrophobicContact CB-CG2 3.88Å; V175-I260 HydrophobicContact CG1-CG2 3.78Å
176L94.4Very high91.2Very high25 Ų2538.7 Ų38.713%0.13120%0.198CC..Hα-helixtrans-67.4-41-176.4-173.856.5000112.2A172 E173 N178 I179 L180 V242 F245 I246A172-L176 PolarHBondContact O-N 3.23Å; E173-L176 PolarHBondContact O-N 3.31Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.17Å; L176-I179 PolarHBondContact O-N 3.21Å; L176-L180 HydrophobicContact CD1-CD1 4.33Å; L176-L180 HydrophobicContact CD1-CG 4.18Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.31Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.13Å; L176-L180 PolarHBondContact O-N 3.11Å; L176-V242 HydrophobicContact CB-CG1 3.83Å; L176-V242 HydrophobicContact CD2-CG1 3.82Å; L176-V242 HydrophobicContact CG-CG1 3.9Å; L176-F245 HydrophobicContact CD2-CD1 3.55Å; L176-F245 HydrophobicContact CD2-CE1 3.84Å; L176-I246 HydrophobicContact CB-CD1 4.48Å; L176-I246 HydrophobicContact CD2-CD1 4.28Å; L176-I246 HydrophobicContact CD2-CG1 4.01Å
177M93.4Very high90.3Very high18 Ų1835.7 Ų35.79%0.08918%0.184CC..Hα-helixtrans-56.4-41.3173.3-80178.457.400112.5E173 R181 Y238 R239 V242E173-M177 VanDerWaalsContact O-CB 3.24Å; E173-M177 WeakPolarHBondContact O-CB 3.1Å; E173-M177 WeakPolarHBondContact O-CG 3.24Å; E173-M177 PolarHBondContact O-N 3.19Å; M177-R181 WeakPolarHBondContact O-CB 3.05Å; M177-R181 VanDerWaalsContact O-CG 3.25Å; M177-R181 WeakPolarHBondContact O-CG 3.35Å; M177-R181 PolarHBondContact O-N 3.2Å; M177-R181 VanDerWaalsContact O-N 3.08Å; M177-Y238 HydrophobicContact CE-CD1 4.06Å; M177-Y238 HydrophobicContact CG-CD1 4.21Å; M177-Y238 HydrophobicContact CG-CE1 4.12Å; M177-R239 HydrophobicContact CE-CB 4.45Å; M177-R239 HydrophobicContact SD-CB 3.75Å; M177-R239 HydrophobicContact SD-CG 3.91Å; M177-V242 HydrophobicContact CG-CB 3.94Å; M177-V242 HydrophobicContact CG-CG1 4.06Å; M177-V242 HydrophobicContact CG-CG2 3.55Å
178N91.7Very high89.2Confident10 Ų1042.4 Ų42.45%0.05321%0.214CC..Hα-helixtrans-71.3-37180-72.2-29000111.5T174 V175 L176 R181 G182 D183 L187T174-N178 WeakPolarHBondContact O-CB 3.2Å; T174-N178 VanDerWaalsContact O-CG 3.24Å; T174-N178 PolarHBondContact O-N 3.2Å; T174-N178 PolarHBondContact O-ND2 3.38Å; T174-N178 VanDerWaalsContact O-ND2 3.12Å; V175-N178 PolarHBondContact O-N 3.42Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.17Å; N178-R181 PolarHBondContact O-N 2.69Å; N178-G182 PolarHBondContact O-N 3.26Å; N178-G182 VanDerWaalsContact O-N 3.14Å; N178-D183 PolarHBondContact O-N 3.29Å; N178-L187 HydrophobicContact CB-CD2 3.43Å; N178-L187 VanDerWaalsContact CB-CD2 3.43Å; N178-L187 HydrophobicContact CB-CG 3.82Å
179I91.8Very high88.3Confident76 Ų7647.2 Ų47.239%0.3923%0.232SC..Hα-helixtrans-60.5-52.3171.7-67.1169000110V175 L176 R181 G182 L187 M267V175-I179 HydrophobicContact CG1-CD1 4.01Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 3.06Å; L176-I179 PolarHBondContact O-N 3.21Å; I179-R181 PolarHBondContact O-N 2.96Å; I179-G182 PolarHBondContact O-N 3.14Å; I179-L187 HydrophobicContact CG1-CD1 3.96Å; I179-L187 HydrophobicContact CG1-CD2 3.96Å; I179-M267 HydrophobicContact CD1-CE 4.2Å
180L92.5Very high87.7Confident98 Ų9847.6 Ų47.651%0.51324%0.235SC..Hα-helixtrans-63.1-25.9-177.2-68.1172.6000113.3L176 V242L176-L180 HydrophobicContact CD1-CD1 4.33Å; L176-L180 HydrophobicContact CD1-CG 4.18Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.31Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.13Å; L176-L180 PolarHBondContact O-N 3.11Å; L180-V242 HydrophobicContact CD1-CG2 3.87Å
181R89.7Confident87.2Confident130 Ų13047 Ų4749%0.49123%0.232SC..THydrogen-bonded Turntrans-90.9-7176.1-71173.2177-177.9-5113.8M177 N178 I179 D183M177-R181 WeakPolarHBondContact O-CB 3.05Å; M177-R181 VanDerWaalsContact O-CG 3.25Å; M177-R181 WeakPolarHBondContact O-CG 3.35Å; M177-R181 PolarHBondContact O-N 3.2Å; M177-R181 VanDerWaalsContact O-N 3.08Å; N178-R181 PolarHBondContact O-N 2.69Å; I179-R181 PolarHBondContact O-N 2.96Å; R181-D183 HydrophobicContact CB-CB 4.49Å; R181-D183 PolarHBondContact O-N 2.99Å
182G86.4Confident86.9Confident54 Ų5448.4 Ų48.456%0.55724%0.244SC*.THydrogen-bonded Turntrans65.421.5-171.300000114N178 I179 I184N178-G182 PolarHBondContact O-N 3.26Å; N178-G182 VanDerWaalsContact O-N 3.14Å; I179-G182 PolarHBondContact O-N 3.14Å; G182-I184 VanDerWaalsContact C-N 3.27Å; G182-I184 PolarHBondContact O-N 2.78Å
183D83.9Confident86.5Confident49 Ų4950.2 Ų50.226%0.26225%0.253SS..  trans-86.367.9-179.4-165.8-17.7000110.7N178 R181 G185 R186N178-D183 PolarHBondContact O-N 3.29Å; R181-D183 HydrophobicContact CB-CB 4.49Å; R181-D183 PolarHBondContact O-N 2.99Å; D183-G185 VanDerWaalsContact C-N 3.26Å; D183-G185 PolarHBondContact O-N 3.38Å; D183-R186 PolarHBondContact O-N 2.94Å; D183-R186 VanDerWaalsContact O-N 3.17Å; D183-R186 WeakPolarHBondContact OD1-CG 3.5Å; D183-R186 PolarHBondContact OD1-N 3.09Å; D183-R186 WeakPolarHBondContact OD2-CD 3.48Å; D183-R186 WeakPolarHBondContact OD2-CG 3.19Å; D183-R186 IonicContact OD2-CZ 3.24Å; D183-R186 IonicContact OD2-NE 2.82Å; D183-R186 PolarHBondContact OD2-NE 2.91Å; D183-R186 IonicContact OD2-NH1 3.24Å
184I78Confident86.3Confident74 Ų7451.9 Ų51.938%0.37926%0.261SS..Hα-helixtrans-60.4-36.4-174.7-55.2-62.8000111.4G182 R186 L187 I269G182-I184 VanDerWaalsContact C-N 3.27Å; G182-I184 PolarHBondContact O-N 2.78Å; I184-R186 PolarHBondContact O-N 3.41Å; I184-L187 HydrophobicContact CD1-CD1 3.85Å; I184-L187 WeakPolarHBondContact O-CB 3.33Å; I184-L187 PolarHBondContact O-N 3.31Å; I184-I269 HydrophobicContact CG2-CB 4.27Å; I184-I269 HydrophobicContact CG2-CD1 3.99Å; I184-I269 HydrophobicContact CG2-CG1 3.72Å; I184-I269 HydrophobicContact CG2-CG2 3.62Å; I184-I269 WeakPolarHBondContact O-CD1 3.41Å
185G74Confident85.9Confident11 Ų1152.7 Ų52.711%0.11327%0.266CS..Hα-helixtrans-62.4-26.3-18000000113.8D183D183-G185 VanDerWaalsContact C-N 3.26Å; D183-G185 PolarHBondContact O-N 3.38Å
186R78.4Confident85.3Confident141 Ų14153.3 Ų53.353%0.53227%0.272SS..Hα-helixtrans-84.1-23.9174.6-70.7-172.6-169.8172-1113.7D183 I184 K188 R189 C190D183-R186 PolarHBondContact O-N 2.94Å; D183-R186 VanDerWaalsContact O-N 3.17Å; D183-R186 WeakPolarHBondContact OD1-CG 3.5Å; D183-R186 PolarHBondContact OD1-N 3.09Å; D183-R186 WeakPolarHBondContact OD2-CD 3.48Å; D183-R186 WeakPolarHBondContact OD2-CG 3.19Å; D183-R186 IonicContact OD2-CZ 3.24Å; D183-R186 IonicContact OD2-NE 2.82Å; D183-R186 PolarHBondContact OD2-NE 2.91Å; D183-R186 IonicContact OD2-NH1 3.24Å; I184-R186 PolarHBondContact O-N 3.41Å; R186-K188 VanDerWaalsContact C-N 3.25Å; R186-K188 PolarHBondContact O-N 2.87Å; R186-R189 PolarHBondContact O-N 3.01Å; R186-C190 WeakPolarHBondContact O-CB 3.46Å; R186-C190 PolarHBondContact O-N 3.48Å; R186-C190 VanDerWaalsContact O-N 3.12Å
187L78.7Confident84.5Confident3 Ų356.3 Ų56.32%0.01629%0.292CS..Hα-helixtrans-57.4-40.3178.6-71.2171.6000111.7V175 N178 I179 I184 R189 C190 M267V175-L187 HydrophobicContact CG1-CD2 4.38Å; V175-L187 WeakPolarHBondContact O-CD2 2.99Å; N178-L187 HydrophobicContact CB-CD2 3.43Å; N178-L187 VanDerWaalsContact CB-CD2 3.43Å; N178-L187 HydrophobicContact CB-CG 3.82Å; I179-L187 HydrophobicContact CG1-CD1 3.96Å; I179-L187 HydrophobicContact CG1-CD2 3.96Å; I184-L187 HydrophobicContact CD1-CD1 3.85Å; I184-L187 WeakPolarHBondContact O-CB 3.33Å; I184-L187 PolarHBondContact O-N 3.31Å; L187-R189 PolarHBondContact O-N 3.39Å; L187-C190 PolarHBondContact O-N 3.48Å; L187-C190 PolarHBondContact O-SG 3.44Å; L187-M267 HydrophobicContact CD1-SD 3.7Å
188K73.8Confident83.7Confident142 Ų14262.2 Ų62.262%0.61732%0.324SS*.Hα-helixtrans-53.3-34.4179.6-155.3174176.9175.30114.3R186 I269 M275R186-K188 VanDerWaalsContact C-N 3.25Å; R186-K188 PolarHBondContact O-N 2.87Å; K188-I269 HydrophobicContact CB-CD1 3.58Å; K188-I269 HydrophobicContact CG-CD1 4.16Å; K188-M275 HydrophobicContact CD-CE 4.41Å
189R79.3Confident83.2Confident100 Ų10063.8 Ų63.838%0.37733%0.332SS..Hα-helixtrans-108.4-17.3-169.6-66.2-178-70-163.8-0.8113.1R186 L187 T191 A192R186-R189 PolarHBondContact O-N 3.01Å; L187-R189 PolarHBondContact O-N 3.39Å; R189-T191 VanDerWaalsContact C-N 3.28Å; R189-T191 PolarHBondContact O-N 3.06Å; R189-A192 WeakPolarHBondContact O-CB 3.25Å; R189-A192 PolarHBondContact O-N 2.82Å; R189-A192 VanDerWaalsContact O-N 3.14Å
190C82.8Confident82.8Confident12 Ų1266.7 Ų66.78%0.08135%0.347CS..Hα-helixtrans-68.9-26.9-168.968.50000113.9T174 R186 L187T174-C190 HydrophobicContact CG2-CB 3.75Å; R186-C190 WeakPolarHBondContact O-CB 3.46Å; R186-C190 PolarHBondContact O-N 3.48Å; R186-C190 VanDerWaalsContact O-N 3.12Å; L187-C190 PolarHBondContact O-N 3.48Å; L187-C190 PolarHBondContact O-SG 3.44Å
191T86.9Confident82.7Confident10 Ų1062.6 Ų62.66%0.06133%0.326CS..THydrogen-bonded Turntrans-91.7-1.217655.30000113.4I171 V175 R189 M193 K208 I261 E265I171-T191 HydrophobicContact CG2-CG2 4.18Å; V175-T191 HydrophobicContact CG2-CG2 3.53Å; R189-T191 VanDerWaalsContact C-N 3.28Å; R189-T191 PolarHBondContact O-N 3.06Å; T191-M193 PolarHBondContact O-N 2.95Å; T191-K208 WeakPolarHBondContact O-CE 3.43Å; T191-K208 PolarHBondContact O-NZ 2.93Å; T191-I261 HydrophobicContact CG2-CG2 4.45Å; T191-E265 HydrophobicContact CG2-CG 4.36Å
192A87.4Confident83Confident31 Ų3157.1 Ų57.126%0.25631%0.307SS..  trans-66.2134-18000000111.1R189 M194 T195R189-A192 WeakPolarHBondContact O-CB 3.25Å; R189-A192 PolarHBondContact O-N 2.82Å; R189-A192 VanDerWaalsContact O-N 3.14Å; A192-M194 VanDerWaalsContact C-N 3.26Å; A192-M194 WeakPolarHBondContact CB-O 3.38Å; A192-M194 PolarHBondContact O-N 3.47Å; A192-T195 HydrophobicContact CB-CG2 4.06Å
193M89.4Confident83.4Confident38 Ų3856.3 Ų56.319%0.18729%0.287CS..SBendtrans-66.5-33.2175.4-76.3-179.5-81.400111.9T39 A43 L45 T191 F204 K205 K208 Y209T39-M193 HydrophobicContact CG2-SD 3.91Å; A43-M193 HydrophobicContact CB-CB 4.25Å; A43-M193 HydrophobicContact CB-CE 3.55Å; A43-M193 HydrophobicContact CB-CG 4.5Å; A43-M193 HydrophobicContact CB-SD 3.5Å; A43-M193 VanDerWaalsContact CB-SD 3.5Å; L45-M193 HydrophobicContact CD2-CB 4.06Å; T191-M193 PolarHBondContact O-N 2.95Å; M193-F204 WeakPolarHBondContact O-CA 3.37Å; M193-F204 WeakPolarHBondContact O-CB 3.45Å; M193-K205 PolarHBondContact O-N 2.86Å; M193-K208 HydrophobicContact CB-CD 4.38Å; M193-K208 HydrophobicContact CG-CB 4.46Å; M193-K208 HydrophobicContact CG-CD 3.19Å; M193-K208 HydrophobicContact CG-CG 4.41Å; M193-K208 HydrophobicContact SD-CD 4.13Å; M193-Y209 HydrophobicContact SD-CE2 4.18Å
194M90.6Very high84.1Confident38 Ų3854 Ų5419%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-128132.3172.4-167.7177.9-56.200109L45 A192 T197 P202 R203 F204L45-M194 HydrophobicContact CB-CE 4.27Å; L45-M194 HydrophobicContact CD2-CB 4.18Å; L45-M194 HydrophobicContact CD2-CE 3.66Å; A192-M194 VanDerWaalsContact C-N 3.26Å; A192-M194 WeakPolarHBondContact CB-O 3.38Å; A192-M194 PolarHBondContact O-N 3.47Å; M194-T197 HydrophobicContact CB-CG2 4.36Å; M194-T197 HydrophobicContact CG-CG2 4.04Å; M194-T197 HydrophobicContact SD-CG2 3.85Å; M194-P202 HydrophobicContact CG-CB 3.96Å; M194-P202 HydrophobicContact SD-CB 3.78Å; M194-P202 HydrophobicContact SD-CG 4.46Å; M194-R203 CarbonylContact C-O 3.23Å; M194-R203 VanDerWaalsContact CA-O 3.26Å; M194-R203 WeakPolarHBondContact CA-O 3.23Å; M194-F204 HydrophobicContact CB-CB 4.26Å; M194-F204 HydrophobicContact CE-CB 4.3Å; M194-F204 HydrophobicContact CG-CB 4.18Å
195T87.1Confident84.9Confident44 Ų4451.9 Ų51.927%0.2726%0.263SS..EExtended strand (participates in β ladder)trans-115.5141.7173.7570000109.2A192 P202 R203A192-T195 HydrophobicContact CB-CG2 4.06Å; T195-P202 WeakPolarHBondContact O-CA 3.26Å; T195-R203 PolarHBondContact N-O 2.95Å; T195-R203 PolarHBondContact O-N 2.86Å; T195-R203 PolarHBondContact OG1-O 2.82Å
196G82.2Confident86.1Confident15 Ų1551.4 Ų51.416%0.15526%0.258CS..  trans77.537.3178.400000113.5D198 D199 P202G196-D198 PolarHBondContact O-N 2.94Å; G196-D199 WeakPolarHBondContact CA-OD2 3.34Å; G196-D199 VanDerWaalsContact O-CB 3.29Å; G196-D199 WeakPolarHBondContact O-CB 3.37Å; G196-D199 PolarHBondContact O-N 3.36Å; G196-P202 WeakPolarHBondContact O-CA 3.09Å; G196-P202 WeakPolarHBondContact O-CB 3.46Å
197T76.2Confident87Confident89 Ų8944.7 Ų44.755%0.54623%0.232SC..THydrogen-bonded Turntrans-56-29.7175.647.60000113.2M194M194-T197 HydrophobicContact CB-CG2 4.36Å; M194-T197 HydrophobicContact CG-CG2 4.04Å; M194-T197 HydrophobicContact SD-CG2 3.85Å
198D76.7Confident87.8Confident142 Ų14244.9 Ų44.976%0.75923%0.233SC*.THydrogen-bonded Turntrans-95.85.3178.2-33.5-45.2000112.1G196G196-D198 PolarHBondContact O-N 2.94Å
199D81.2Confident88.9Confident43 Ų4340.4 Ų40.423%0.2321%0.213CC..SBendtrans-94.4162.9177.3-60.7-35000110.2G196 L201 P202 K278 I287G196-D199 WeakPolarHBondContact CA-OD2 3.34Å; G196-D199 VanDerWaalsContact O-CB 3.29Å; G196-D199 WeakPolarHBondContact O-CB 3.37Å; G196-D199 PolarHBondContact O-N 3.36Å; D199-L201 PolarHBondContact O-N 2.92Å; D199-P202 WeakPolarHBondContact O-CD 3.2Å; D199-K278 WeakPolarHBondContact OD1-CD 3.47Å; D199-K278 WeakPolarHBondContact OD1-CE 3.41Å; D199-K278 IonicContact OD1-NZ 2.83Å; D199-K278 PolarHBondContact OD1-NZ 3.35Å; D199-K278 IonicContact OD2-NZ 3.1Å; D199-K278 PolarHBondContact OD2-NZ 2.9Å; D199-I287 HydrophobicContact CB-CD1 3.7Å
200I82.8Confident89.8Confident136 Ų13635.9 Ų35.970%0.69720%0.197SC*.SBendtrans-62-28.1175.8-58.3168.9000111.3L155L155-I200 HydrophobicContact CD2-CG2 4.07Å
201L91.9Very high90.4Very high12 Ų1235.4 Ų35.46%0.06319%0.193CC..SBendtrans-133.678.7-176.6-79.3173.3000111.1D151 A154 L155 A159 I162 D199D151-L201 HydrophobicContact CB-CD1 4.47Å; D151-L201 WeakPolarHBondContact O-CD1 3.42Å; A154-L201 HydrophobicContact CB-CD1 3.75Å; A154-L201 HydrophobicContact CB-CD2 3.95Å; L155-L201 HydrophobicContact CD1-CD1 4.47Å; L155-L201 HydrophobicContact CD2-CD1 3.56Å; L155-L201 HydrophobicContact CD2-CG 4.01Å; L155-L201 HydrophobicContact CG-CD1 3.57Å; A159-L201 WeakPolarHBondContact O-CD2 3.45Å; I162-L201 HydrophobicContact CD1-CB 4.43Å; I162-L201 HydrophobicContact CD1-CD1 4.35Å; I162-L201 HydrophobicContact CG1-CD2 4.45Å; D199-L201 PolarHBondContact O-N 2.92Å
202P94.6Very high90.9Very high15 Ų1536.6 Ų36.610%0.09720%0.198CC..  trans-58144.2169.421.2-31.6000111.3N160 K161 I162 M194 T195 G196 D199N160-P202 WeakPolarHBondContact O-CD 3.44Å; K161-P202 WeakPolarHBondContact CA-O 2.97Å; K161-P202 HydrophobicContact CG-CG 4.08Å; I162-P202 PolarHBondContact N-O 3.43Å; M194-P202 HydrophobicContact CG-CB 3.96Å; M194-P202 HydrophobicContact SD-CB 3.78Å; M194-P202 HydrophobicContact SD-CG 4.46Å; T195-P202 WeakPolarHBondContact O-CA 3.26Å; G196-P202 WeakPolarHBondContact O-CA 3.09Å; G196-P202 WeakPolarHBondContact O-CB 3.46Å; D199-P202 WeakPolarHBondContact O-CD 3.2Å
203R96Very high91.3Very high37 Ų3739.2 Ų39.214%0.1420%0.204CC..EExtended strand (participates in β ladder)trans-113.4131.6178.4-55.7-178.6172.7-11216.4109.8R147 D151 I162 M194 T195R147-R203 VanDerWaalsContact CG-NH2 3.34Å; R147-R203 PolarHBondContact O-NH2 3.05Å; D151-R203 IonicContact OD1-CZ 2.93Å; D151-R203 IonicContact OD1-NE 2.82Å; D151-R203 PolarHBondContact OD1-NE 2.96Å; D151-R203 IonicContact OD1-NH2 2.79Å; D151-R203 PolarHBondContact OD1-NH2 3.21Å; D151-R203 IonicContact OD2-CZ 3.36Å; D151-R203 IonicContact OD2-NH2 2.81Å; D151-R203 PolarHBondContact OD2-NH2 3.03Å; I162-R203 HydrophobicContact CB-CG 4.11Å; I162-R203 HydrophobicContact CD1-CG 4.44Å; I162-R203 CarbonylContact O-C 3.56Å; I162-R203 VanDerWaalsContact O-CA 3.23Å; I162-R203 WeakPolarHBondContact O-CA 3.5Å; M194-R203 CarbonylContact C-O 3.23Å; M194-R203 VanDerWaalsContact CA-O 3.26Å; M194-R203 WeakPolarHBondContact CA-O 3.23Å; T195-R203 PolarHBondContact N-O 2.95Å; T195-R203 PolarHBondContact O-N 2.86Å; T195-R203 PolarHBondContact OG1-O 2.82Å
204F97.3Very high91.6Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-129.1160.5178.269.7-85000113.5L45 I46 I52 K161 I162 C163 T164 M193 M194 P206L45-F204 HydrophobicContact CB-CB 4.47Å; L45-F204 HydrophobicContact CB-CD2 3.82Å; L45-F204 HydrophobicContact CB-CE2 4.27Å; L45-F204 HydrophobicContact CB-CG 4.19Å; L45-F204 HydrophobicContact CD1-CB 4.37Å; L45-F204 HydrophobicContact CD1-CD2 3.88Å; L45-F204 HydrophobicContact CD2-CB 4.13Å; L45-F204 HydrophobicContact CG-CD2 4.36Å; I46-F204 HydrophobicContact CD1-CE2 4.37Å; I46-F204 HydrophobicContact CD1-CZ 4.33Å; I46-F204 HydrophobicContact CG1-CE2 4.17Å; I46-F204 HydrophobicContact CG1-CZ 4.02Å; I52-F204 HydrophobicContact CD1-CE1 4.43Å; I52-F204 HydrophobicContact CD1-CZ 4.06Å; I52-F204 HydrophobicContact CG2-CE1 3.93Å; I52-F204 HydrophobicContact CG2-CZ 3.83Å; K161-F204 HydrophobicContact CB-CD1 4.22Å; K161-F204 HydrophobicContact CB-CE1 3.86Å; K161-F204 HydrophobicContact CD-CD1 4.42Å; K161-F204 HydrophobicContact CD-CE1 4.23Å; I162-F204 WeakPolarHBondContact O-CD1 3.34Å; I162-F204 PolarHBondContact O-N 2.91Å; C163-F204 HydrophobicContact CB-CD2 4.5Å; C163-F204 HydrophobicContact CB-CE1 3.88Å; C163-F204 HydrophobicContact CB-CE2 3.87Å; C163-F204 HydrophobicContact CB-CZ 3.52Å; C163-F204 WeakPolarHBondContact SG-CE2 3.43Å; T164-F204 PolarHBondContact N-O 3.09Å; T164-F204 VanDerWaalsContact N-O 3.13Å; M193-F204 WeakPolarHBondContact O-CA 3.37Å; M193-F204 WeakPolarHBondContact O-CB 3.45Å; M194-F204 HydrophobicContact CB-CB 4.26Å; M194-F204 HydrophobicContact CE-CB 4.3Å; M194-F204 HydrophobicContact CG-CB 4.18Å; F204-P206 HydrophobicContact CD2-CG 3.76Å; F204-P206 HydrophobicContact CE2-CG 3.64Å
205K96.8Very high91.9Very high31 Ų3135.6 Ų35.614%0.13519%0.186CC..  trans-133.990.1-171.7-60.2170.3-178.7176.80110.8H166 I171 M193 F207 K208H166-K205 HydrophobicContact CB-CD 3.79Å; H166-K205 HydrophobicContact CB-CG 4.06Å; I171-K205 HydrophobicContact CD1-CD 4.31Å; M193-K205 PolarHBondContact O-N 2.86Å; K205-F207 PolarHBondContact O-N 3.24Å; K205-K208 PolarHBondContact O-N 3.3Å
206P97.7Very high92.4Very high1 Ų136.2 Ų36.21%0.00619%0.19CC..THydrogen-bonded Turntrans-61.6-26179-26.137.2000113.5I36 I40 L65 L69 C163 F204 K208I36-P206 HydrophobicContact CG2-CB 3.92Å; I40-P206 HydrophobicContact CD1-CB 4.23Å; I40-P206 HydrophobicContact CG1-CB 4.08Å; I40-P206 HydrophobicContact CG1-CG 4.36Å; L65-P206 HydrophobicContact CD1-CB 4.27Å; L65-P206 HydrophobicContact CD1-CG 3.96Å; L69-P206 HydrophobicContact CD2-CG 4.49Å; C163-P206 WeakPolarHBondContact SG-CD 3.43Å; C163-P206 VanDerWaalsContact SG-CG 3.55Å; F204-P206 HydrophobicContact CD2-CG 3.76Å; F204-P206 HydrophobicContact CE2-CG 3.64Å; P206-K208 VanDerWaalsContact C-N 3.27Å; P206-K208 PolarHBondContact O-N 2.93Å
207F98Very high93Very high0 Ų038.1 Ų38.10%020%0.195CC..THydrogen-bonded Turntrans-86.813.2-177.6-67.6-4.5000114.1I36 D61 V64 L65 I68 H166 N167 A168 K205 Y209 A210 I215I36-F207 HydrophobicContact CD1-CD1 3.79Å; I36-F207 HydrophobicContact CD1-CE1 3.45Å; I36-F207 VanDerWaalsContact CD1-CE1 3.45Å; I36-F207 HydrophobicContact CD1-CZ 4.4Å; I36-F207 HydrophobicContact CG1-CD1 3.97Å; I36-F207 HydrophobicContact CG1-CE1 4.06Å; I36-F207 HydrophobicContact CG2-CD1 4.37Å; I36-F207 HydrophobicContact CG2-CE1 4.22Å; D61-F207 WeakPolarHBondContact O-CE2 3.26Å; V64-F207 HydrophobicContact CB-CE2 4.24Å; V64-F207 HydrophobicContact CB-CZ 4.29Å; V64-F207 HydrophobicContact CG1-CE2 4.09Å; V64-F207 HydrophobicContact CG1-CZ 3.78Å; L65-F207 VanDerWaalsContact CA-CZ 3.43Å; L65-F207 HydrophobicContact CB-CE2 3.79Å; L65-F207 HydrophobicContact CB-CZ 3.83Å; L65-F207 HydrophobicContact CD1-CD1 4.44Å; L65-F207 HydrophobicContact CD1-CE1 4Å; L65-F207 HydrophobicContact CD1-CE2 4.38Å; L65-F207 HydrophobicContact CD1-CZ 3.99Å; I68-F207 HydrophobicContact CD1-CE1 4.33Å; I68-F207 HydrophobicContact CD1-CZ 4.3Å; H166-F207 CarbonylContact O-C 3.55Å; H166-F207 WeakPolarHBondContact O-CB 3.36Å; N167-F207 CarbonylContact C-O 3.55Å; N167-F207 VanDerWaalsContact CA-O 3.3Å; N167-F207 WeakPolarHBondContact CA-O 3.33Å; N167-F207 HydrophobicContact CB-CB 4.24Å; A168-F207 PolarHBondContact N-O 2.86Å; K205-F207 PolarHBondContact O-N 3.24Å; F207-Y209 PolarHBondContact O-N 2.94Å; F207-A210 HydrophobicContact CB-CB 4.04Å; F207-A210 HydrophobicContact CD1-CB 4.49Å; F207-A210 HydrophobicContact CG-CB 4.35Å; F207-A210 PolarHBondContact O-N 2.97Å; F207-I215 HydrophobicContact CB-CD1 4.37Å; F207-I215 HydrophobicContact CD2-CD1 3.58Å; F207-I215 HydrophobicContact CD2-CG1 4.22Å; F207-I215 HydrophobicContact CE2-CD1 4.12Å; F207-I215 HydrophobicContact CE2-CG1 4.35Å; F207-I215 HydrophobicContact CG-CD1 4.19Å
208K96.1Very high94Very high6 Ų633.9 Ų33.93%0.02617%0.169CC..THydrogen-bonded Turntrans-47.8-36.5-177.9170.8176.7-179.4-172.50114.5A168 I171 T191 M193 K205 P206 E265A168-K208 VanDerWaalsContact CA-O 3.28Å; A168-K208 WeakPolarHBondContact CA-O 3.44Å; A168-K208 WeakPolarHBondContact CB-O 3.22Å; I171-K208 HydrophobicContact CD1-CB 3.74Å; I171-K208 HydrophobicContact CD1-CD 4.44Å; I171-K208 HydrophobicContact CD1-CG 3.55Å; T191-K208 WeakPolarHBondContact O-CE 3.43Å; T191-K208 PolarHBondContact O-NZ 2.93Å; M193-K208 HydrophobicContact CB-CD 4.38Å; M193-K208 HydrophobicContact CG-CB 4.46Å; M193-K208 HydrophobicContact CG-CD 3.19Å; M193-K208 HydrophobicContact CG-CG 4.41Å; M193-K208 HydrophobicContact SD-CD 4.13Å; K205-K208 PolarHBondContact O-N 3.3Å; P206-K208 VanDerWaalsContact C-N 3.27Å; P206-K208 PolarHBondContact O-N 2.93Å; K208-E265 WeakPolarHBondContact CE-OE1 3.38Å; K208-E265 IonicContact NZ-OE1 3.49Å; K208-E265 PolarHBondContact NZ-OE1 3.29Å
209Y96.2Very high95Very high49 Ų4927.1 Ų27.119%0.19213%0.133CC..THydrogen-bonded Turntrans-111.46.9-178.8-55.8-62.3000113.8K18 W38 T39 M193 F207 I258 I261 E265K18-Y209 PolarHBondContact NZ-O 2.99Å; W38-Y209 HydrophobicContact CZ3-CE2 4.37Å; T39-Y209 HydrophobicContact CG2-CD2 4.33Å; M193-Y209 HydrophobicContact SD-CE2 4.18Å; F207-Y209 PolarHBondContact O-N 2.94Å; Y209-I258 HydrophobicContact CD1-CD1 4.01Å; Y209-I261 HydrophobicContact CE1-CG2 4.17Å; Y209-E265 PolarHBondContact OH-OE1 2.96Å
210A97.2Very high95.6Very high5 Ų531.1 Ų31.14%0.04115%0.15CC..  trans-90127.6176.600000109.5F32 N167 A168 F207 I215F32-A210 HydrophobicContact CE2-CB 3.8Å; F32-A210 HydrophobicContact CZ-CB 3.98Å; N167-A210 WeakPolarHBondContact CB-O 3.49Å; A168-A210 VanDerWaalsContact CB-O 3.22Å; A168-A210 WeakPolarHBondContact CB-O 3.4Å; A168-A210 PolarHBondContact N-O 3.28Å; F207-A210 HydrophobicContact CB-CB 4.04Å; F207-A210 HydrophobicContact CD1-CB 4.49Å; F207-A210 HydrophobicContact CG-CB 4.35Å; F207-A210 PolarHBondContact O-N 2.97Å; A210-I215 HydrophobicContact CB-CD1 4.41Å; A210-I215 HydrophobicContact CB-CG1 4.43Å
211Y96.7Very high96.2Very high1 Ų125 Ų250%0.00412%0.118CC..  trans-75.5144.3178.5-80.6-129.9000109.6P17 K18 A168 K213 E214 I215 P254 I257 I258P17-Y211 HydrophobicContact CB-CD1 4.46Å; P17-Y211 HydrophobicContact CG-CD1 4.46Å; K18-Y211 HydrophobicContact CB-CD2 3.96Å; K18-Y211 HydrophobicContact CB-CE2 3.78Å; K18-Y211 HydrophobicContact CB-CG 4.44Å; K18-Y211 HydrophobicContact CD-CD2 4.09Å; K18-Y211 HydrophobicContact CD-CE2 3.89Å; K18-Y211 HydrophobicContact CG-CD2 4.16Å; K18-Y211 HydrophobicContact CG-CE2 3.64Å; A168-Y211 HydrophobicContact CB-CD2 4.35Å; Y211-K213 PolarHBondContact O-N 3.45Å; Y211-E214 PolarHBondContact O-N 3.44Å; Y211-I215 PolarHBondContact O-N 3.31Å; Y211-P254 WeakPolarHBondContact CE1-O 3.38Å; Y211-P254 PolarHBondContact OH-O 3.07Å; Y211-P254 VanDerWaalsContact OH-O 3.06Å; Y211-I257 HydrophobicContact CD1-CD1 3.73Å; Y211-I257 HydrophobicContact CE1-CB 3.97Å; Y211-I257 HydrophobicContact CE1-CD1 3.58Å; Y211-I257 HydrophobicContact CE1-CG1 4.25Å; Y211-I257 HydrophobicContact CE1-CG2 4.49Å; Y211-I257 HydrophobicContact CE2-CG2 4.49Å; Y211-I258 HydrophobicContact CE2-CD1 3.9Å; Y211-I258 HydrophobicContact CE2-CG1 3.48Å; Y211-I258 VanDerWaalsContact CE2-CG1 3.48Å; Y211-I258 WeakPolarHBondContact OH-CG1 3.28Å
212E96.4Very high96.4Very high36 Ų3627 Ų2717%0.16813%0.127CC..Hα-helixtrans-54.4-41.3175.8-177.6180-141.300111.6K60 D169 E214 I215 V216 K247K60-E212 WeakPolarHBondContact CE-OE1 3.49Å; K60-E212 IonicContact NZ-OE1 3.59Å; K60-E212 PolarHBondContact NZ-OE1 3Å; D169-E212 HydrophobicContact CB-CB 4.22Å; D169-E212 WeakPolarHBondContact OD2-CB 3.26Å; D169-E212 PolarHBondContact OD2-N 2.81Å; E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 3.2Å; E212-I215 WeakPolarHBondContact O-CB 3.29Å; E212-I215 PolarHBondContact O-N 2.91Å; E212-V216 WeakPolarHBondContact O-CG2 3.15Å; E212-V216 PolarHBondContact O-N 2.73Å; E212-K247 IonicContact OE2-NZ 3.21Å; E212-K247 PolarHBondContact OE2-NZ 3.06Å
213K95.3Very high96.4Very high86 Ų8635.1 Ų35.137%0.37416%0.161SC..Hα-helixtrans-60.2-40.2176.2-74.2175.4-176.1154.30112.2P17 Y211 V216 M217 E250P17-K213 HydrophobicContact CB-CB 4.46Å; P17-K213 HydrophobicContact CB-CD 4.23Å; P17-K213 HydrophobicContact CG-CB 3.93Å; Y211-K213 PolarHBondContact O-N 3.45Å; K213-V216 PolarHBondContact O-N 3.12Å; K213-M217 WeakPolarHBondContact O-CB 3.38Å; K213-M217 WeakPolarHBondContact O-CG 3.38Å; K213-M217 PolarHBondContact O-N 2.92Å; K213-E250 IonicContact NZ-OE1 3.1Å; K213-E250 PolarHBondContact NZ-OE1 3.06Å; K213-E250 IonicContact NZ-OE2 3.22Å; K213-E250 PolarHBondContact NZ-OE2 3.14Å
214E96.6Very high96.4Very high0 Ų033.8 Ų33.80%016%0.157CC..Hα-helixtrans-69-36.3177.3-66.6-170146.500111.5R16 P17 F28 F32 Y211 E212 M217 Y218R16-E214 IonicContact CZ-OE1 3.79Å; R16-E214 IonicContact NE-OE1 3.37Å; R16-E214 PolarHBondContact NE-OE1 2.89Å; R16-E214 IonicContact NH2-OE1 3.39Å; R16-E214 PolarHBondContact NH2-OE1 2.59Å; R16-E214 VanDerWaalsContact NH2-OE1 3.13Å; R16-E214 IonicContact NH2-OE2 3.64Å; R16-E214 PolarHBondContact NH2-OE2 2.73Å; P17-E214 HydrophobicContact CG-CG 3.57Å; F28-E214 HydrophobicContact CE2-CB 4.24Å; F28-E214 HydrophobicContact CE2-CG 4.12Å; F28-E214 HydrophobicContact CZ-CB 4.05Å; F28-E214 HydrophobicContact CZ-CG 4.4Å; F32-E214 HydrophobicContact CD2-CB 3.9Å; F32-E214 HydrophobicContact CE2-CB 3.57Å; F32-E214 HydrophobicContact CZ-CB 4.49Å; Y211-E214 PolarHBondContact O-N 3.44Å; E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 3.2Å; E214-M217 PolarHBondContact O-N 3.11Å; E214-Y218 VanDerWaalsContact O-CB 3.25Å; E214-Y218 WeakPolarHBondContact O-CB 3.34Å; E214-Y218 PolarHBondContact O-N 2.87Å
215I97.7Very high96.1Very high0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-61-46.4173.1-66.3167.2000110.5F32 D61 V64 N167 F207 A210 Y211 E212 Y218 A219F32-I215 HydrophobicContact CE2-CG1 4.47Å; F32-I215 HydrophobicContact CZ-CG1 3.73Å; D61-I215 WeakPolarHBondContact OD1-CD1 3.45Å; V64-I215 HydrophobicContact CB-CG2 3.97Å; V64-I215 HydrophobicContact CG1-CG2 4.24Å; V64-I215 HydrophobicContact CG2-CG2 3.82Å; N167-I215 HydrophobicContact CB-CD1 3.37Å; F207-I215 HydrophobicContact CB-CD1 4.37Å; F207-I215 HydrophobicContact CD2-CD1 3.58Å; F207-I215 HydrophobicContact CD2-CG1 4.22Å; F207-I215 HydrophobicContact CE2-CD1 4.12Å; F207-I215 HydrophobicContact CE2-CG1 4.35Å; F207-I215 HydrophobicContact CG-CD1 4.19Å; A210-I215 HydrophobicContact CB-CD1 4.41Å; A210-I215 HydrophobicContact CB-CG1 4.43Å; Y211-I215 PolarHBondContact O-N 3.31Å; E212-I215 WeakPolarHBondContact O-CB 3.29Å; E212-I215 PolarHBondContact O-N 2.91Å; I215-Y218 PolarHBondContact O-N 3.2Å; I215-A219 WeakPolarHBondContact O-CB 3.5Å; I215-A219 PolarHBondContact O-N 2.94Å
216V95.9Very high95.9Very high57 Ų5737.6 Ų37.635%0.34517%0.174SC..Hα-helixtrans-59.7-48.2176173.90000110.8K60 E212 K213 Y218 A219 H220K60-V216 HydrophobicContact CD-CG2 3.6Å; E212-V216 WeakPolarHBondContact O-CG2 3.15Å; E212-V216 PolarHBondContact O-N 2.73Å; K213-V216 PolarHBondContact O-N 3.12Å; V216-Y218 VanDerWaalsContact C-N 3.34Å; V216-Y218 PolarHBondContact O-N 2.98Å; V216-A219 PolarHBondContact O-N 3.3Å; V216-H220 WeakPolarHBondContact O-CB 3.48Å; V216-H220 PolarHBondContact O-N 3.45Å
217M96Very high95.5Very high54 Ų5438.6 Ų38.627%0.26618%0.178SC..Hα-helixtrans-59.2-46.7178.7-70.4167172.900111I14 F28 K213 E214 H220 M221I14-M217 HydrophobicContact CD1-CB 3.54Å; I14-M217 HydrophobicContact CD1-CE 4.19Å; I14-M217 HydrophobicContact CD1-CG 3.47Å; I14-M217 VanDerWaalsContact CD1-CG 3.47Å; I14-M217 HydrophobicContact CD1-SD 3.33Å; I14-M217 WeakPolarHBondContact CD1-SD 3.49Å; I14-M217 HydrophobicContact CG1-CE 4.27Å; I14-M217 HydrophobicContact CG1-SD 3.88Å; F28-M217 HydrophobicContact CE1-CB 4.31Å; F28-M217 HydrophobicContact CZ-CB 4.09Å; K213-M217 WeakPolarHBondContact O-CB 3.38Å; K213-M217 WeakPolarHBondContact O-CG 3.38Å; K213-M217 PolarHBondContact O-N 2.92Å; E214-M217 PolarHBondContact O-N 3.11Å; M217-H220 PolarHBondContact O-N 3.38Å; M217-M221 HydrophobicContact CB-SD 4.48Å; M217-M221 WeakPolarHBondContact O-CB 3.46Å; M217-M221 WeakPolarHBondContact O-CG 3.41Å; M217-M221 PolarHBondContact O-N 3.16Å
218Y97.7Very high94.9Very high0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-61-47.4177.9-170.5-85.8000111.7F28 F32 E33 V64 Y67 I68 E214 I215 V216 H220 M221 H222F28-Y218 HydrophobicContact CE1-CD2 4.11Å; F32-Y218 HydrophobicContact CB-CD2 4.13Å; F32-Y218 HydrophobicContact CB-CE2 4.46Å; F32-Y218 HydrophobicContact CD1-CD1 4.46Å; F32-Y218 AromaticContact CD1-CD2 3.3Å; F32-Y218 HydrophobicContact CD1-CD2 3.3Å; F32-Y218 AromaticContact CD1-CE2 3.76Å; F32-Y218 HydrophobicContact CD1-CE2 3.76Å; F32-Y218 AromaticContact CD1-CG 3.71Å; F32-Y218 HydrophobicContact CD1-CG 3.71Å; F32-Y218 HydrophobicContact CE1-CD1 4.42Å; F32-Y218 AromaticContact CE1-CD2 3.99Å; F32-Y218 HydrophobicContact CE1-CD2 3.99Å; F32-Y218 AromaticContact CE1-CG 3.9Å; F32-Y218 HydrophobicContact CE1-CG 3.9Å; F32-Y218 AromaticContact CG-CD2 3.98Å; F32-Y218 HydrophobicContact CG-CD2 3.98Å; E33-Y218 VanDerWaalsContact CD-OH 3.3Å; E33-Y218 HydrophobicContact CG-CE2 3.89Å; E33-Y218 WeakPolarHBondContact CG-OH 3.04Å; E33-Y218 WeakPolarHBondContact OE1-CE2 3.49Å; E33-Y218 PolarHBondContact OE1-OH 3.34Å; V64-Y218 HydrophobicContact CG1-CD1 3.69Å; V64-Y218 HydrophobicContact CG1-CE1 4.19Å; V64-Y218 HydrophobicContact CG1-CG 4.45Å; V64-Y218 HydrophobicContact CG2-CD1 4.43Å; Y67-Y218 AromaticContact CD1-CE1 3.77Å; Y67-Y218 HydrophobicContact CD1-CE1 3.77Å; Y67-Y218 AromaticContact CE1-CE1 3.92Å; Y67-Y218 HydrophobicContact CE1-CE1 3.92Å; Y67-Y218 VanDerWaalsContact CE1-OH 3.28Å; Y67-Y218 WeakPolarHBondContact CE1-OH 3.27Å; I68-Y218 HydrophobicContact CD1-CD1 4.17Å; I68-Y218 HydrophobicContact CD1-CE1 3.73Å; I68-Y218 HydrophobicContact CD1-CE2 4.29Å; I68-Y218 HydrophobicContact CG1-CE1 3.73Å; E214-Y218 VanDerWaalsContact O-CB 3.25Å; E214-Y218 WeakPolarHBondContact O-CB 3.34Å; E214-Y218 PolarHBondContact O-N 2.87Å; I215-Y218 PolarHBondContact O-N 3.2Å; V216-Y218 VanDerWaalsContact C-N 3.34Å; V216-Y218 PolarHBondContact O-N 2.98Å; Y218-H220 VanDerWaalsContact C-N 3.33Å; Y218-H220 PolarHBondContact O-N 2.88Å; Y218-M221 PolarHBondContact O-N 2.86Å; Y218-H222 AromaticContact CD1-CD2 3.7Å; Y218-H222 AromaticContact CD2-CD2 3.85Å; Y218-H222 AromaticContact CD2-NE2 3.96Å; Y218-H222 AromaticContact CE1-CD2 3.41Å; Y218-H222 VanDerWaalsContact CE1-CD2 3.41Å; Y218-H222 WeakPolarHBondContact CE1-CD2 3.37Å; Y218-H222 AromaticContact CE1-NE2 3.86Å; Y218-H222 AromaticContact CE2-CD2 3.57Å; Y218-H222 AromaticContact CE2-NE2 3.33Å; Y218-H222 VanDerWaalsContact CE2-NE2 3.33Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.35Å; Y218-H222 AromaticContact CG-CD2 3.91Å; Y218-H222 AromaticContact CZ-CD2 3.35Å; Y218-H222 AromaticContact CZ-NE2 3.27Å; Y218-H222 VanDerWaalsContact CZ-NE2 3.27Å; Y218-H222 PolarHBondContact O-CD2 3.21Å; Y218-H222 PolarHBondContact O-N 3.38Å; Y218-H222 PolarHBondContact OH-NE2 3.4Å
219A96.7Very high94.4Very high0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-57.4-46177.300000111.9V64 I215 V216 K223 L224 Y226V64-A219 HydrophobicContact CG2-CB 3.58Å; I215-A219 WeakPolarHBondContact O-CB 3.5Å; I215-A219 PolarHBondContact O-N 2.94Å; V216-A219 PolarHBondContact O-N 3.3Å; A219-K223 PolarHBondContact O-N 3.46Å; A219-K223 VanDerWaalsContact O-N 3.07Å; A219-L224 HydrophobicContact CB-CD1 4.49Å; A219-L224 PolarHBondContact O-N 3.03Å; A219-Y226 HydrophobicContact CB-CD1 3.96Å; A219-Y226 HydrophobicContact CB-CE1 3.64Å
220H95Very high94Very high127 Ų12750.7 Ų50.759%0.58825%0.253SS*.Hα-helixtrans-66.2-44.4179-17573.8000112.1V216 M217 Y218 H222 K223V216-H220 WeakPolarHBondContact O-CB 3.48Å; V216-H220 PolarHBondContact O-N 3.45Å; M217-H220 PolarHBondContact O-N 3.38Å; Y218-H220 VanDerWaalsContact C-N 3.33Å; Y218-H220 PolarHBondContact O-N 2.88Å; H220-H222 VanDerWaalsContact C-N 3.33Å; H220-H222 PolarHBondContact O-N 3.47Å; H220-K223 PolarHBondContact O-N 3.06Å; H220-K223 VanDerWaalsContact O-N 3.09Å
221M94.6Very high93.7Very high7 Ų751.6 Ų51.63%0.03426%0.258CS..Hα-helixtrans-62.1-39.9-179.9-7416474.900112.4Y13 I14 K25 F28 M217 Y218 K223Y13-M221 HydrophobicContact CD1-CE 4.23Å; Y13-M221 HydrophobicContact CE1-CE 4.32Å; Y13-M221 HydrophobicContact CE1-CG 4.02Å; Y13-M221 HydrophobicContact CE1-SD 4.3Å; I14-M221 HydrophobicContact CD1-SD 3.97Å; K25-M221 VanDerWaalsContact CA-CE 3.4Å; K25-M221 HydrophobicContact CB-CE 3.81Å; K25-M221 HydrophobicContact CD-CE 4.49Å; K25-M221 WeakPolarHBondContact CE-O 3.37Å; K25-M221 HydrophobicContact CG-CB 4.4Å; K25-M221 HydrophobicContact CG-CE 3.19Å; K25-M221 HydrophobicContact CG-CG 4.36Å; K25-M221 PolarHBondContact NZ-O 2.99Å; K25-M221 VanDerWaalsContact O-CE 3.28Å; K25-M221 WeakPolarHBondContact O-CE 3.4Å; F28-M221 HydrophobicContact CB-CE 4.15Å; F28-M221 HydrophobicContact CD1-CE 3.45Å; F28-M221 VanDerWaalsContact CD1-CE 3.45Å; F28-M221 HydrophobicContact CD1-SD 3.46Å; F28-M221 WeakPolarHBondContact CD1-SD 3.26Å; F28-M221 HydrophobicContact CE1-CE 4.24Å; F28-M221 HydrophobicContact CE1-SD 3.66Å; F28-M221 HydrophobicContact CG-CE 4.14Å; F28-M221 HydrophobicContact CG-SD 4.38Å; M217-M221 HydrophobicContact CB-SD 4.48Å; M217-M221 WeakPolarHBondContact O-CB 3.46Å; M217-M221 WeakPolarHBondContact O-CG 3.41Å; M217-M221 PolarHBondContact O-N 3.16Å; Y218-M221 PolarHBondContact O-N 2.86Å; M221-K223 VanDerWaalsContact C-N 3.29Å
222H95.5Very high93.4Very high55 Ų5556.1 Ų56.126%0.25528%0.278SS..THydrogen-bonded Turntrans-87.43.5177.1-73.1-79000113.6S29 E33 Y218 H220 L224S29-H222 PolarHBondContact OG-NE2 3.36Å; S29-H222 VanDerWaalsContact OG-NE2 3.09Å; E33-H222 IonicContact OE1-NE2 3.28Å; Y218-H222 AromaticContact CD1-CD2 3.7Å; Y218-H222 AromaticContact CD2-CD2 3.85Å; Y218-H222 AromaticContact CD2-NE2 3.96Å; Y218-H222 AromaticContact CE1-CD2 3.41Å; Y218-H222 VanDerWaalsContact CE1-CD2 3.41Å; Y218-H222 WeakPolarHBondContact CE1-CD2 3.37Å; Y218-H222 AromaticContact CE1-NE2 3.86Å; Y218-H222 AromaticContact CE2-CD2 3.57Å; Y218-H222 AromaticContact CE2-NE2 3.33Å; Y218-H222 VanDerWaalsContact CE2-NE2 3.33Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.35Å; Y218-H222 AromaticContact CG-CD2 3.91Å; Y218-H222 AromaticContact CZ-CD2 3.35Å; Y218-H222 AromaticContact CZ-NE2 3.27Å; Y218-H222 VanDerWaalsContact CZ-NE2 3.27Å; Y218-H222 PolarHBondContact O-CD2 3.21Å; Y218-H222 PolarHBondContact O-N 3.38Å; Y218-H222 PolarHBondContact OH-NE2 3.4Å; H220-H222 VanDerWaalsContact C-N 3.33Å; H220-H222 PolarHBondContact O-N 3.47Å; H222-L224 HydrophobicContact CB-CD2 3.75Å; H222-L224 HydrophobicContact CB-CG 3.91Å; H222-L224 PolarHBondContact O-N 3.05Å
223K95.1Very high93.1Very high185 Ų18555.9 Ų55.980%0.80428%0.276SS*.THydrogen-bonded Turntrans50.742.5-178.8-56.4-179.2179.4-178.20112.2A219 H220 M221A219-K223 PolarHBondContact O-N 3.46Å; A219-K223 VanDerWaalsContact O-N 3.07Å; H220-K223 PolarHBondContact O-N 3.06Å; H220-K223 VanDerWaalsContact O-N 3.09Å; M221-K223 VanDerWaalsContact C-N 3.29Å
224L95Very high92.7Very high10 Ų1053.4 Ų53.45%0.05227%0.272CS..  trans-69.3141.9180-55.7-172.9000110.1T63 V64 Y67 A219 H222 Y226T63-L224 HydrophobicContact CG2-CB 4.02Å; T63-L224 HydrophobicContact CG2-CD1 4.42Å; V64-L224 HydrophobicContact CB-CD1 4.44Å; V64-L224 HydrophobicContact CG2-CD1 3.81Å; Y67-L224 HydrophobicContact CD1-CD1 4.43Å; Y67-L224 HydrophobicContact CD2-CD2 3.63Å; Y67-L224 HydrophobicContact CE2-CD2 3.93Å; Y67-L224 HydrophobicContact CG-CD1 4.09Å; Y67-L224 HydrophobicContact CG-CD2 3.96Å; A219-L224 HydrophobicContact CB-CD1 4.49Å; A219-L224 PolarHBondContact O-N 3.03Å; H222-L224 HydrophobicContact CB-CD2 3.75Å; H222-L224 HydrophobicContact CB-CG 3.91Å; H222-L224 PolarHBondContact O-N 3.05Å; L224-Y226 VanDerWaalsContact O-CD1 3.24Å; L224-Y226 WeakPolarHBondContact O-CD1 3.37Å; L224-Y226 PolarHBondContact O-N 3.34Å
225D91.4Very high92.2Very high45 Ų4558 Ų5824%0.24130%0.301CS..  trans-85.4103.9177.2-175.714.3000109.6T63 T101 R104 N105T63-D225 WeakPolarHBondContact CG2-O 3.26Å; T101-D225 WeakPolarHBondContact CG2-O 3.33Å; R104-D225 WeakPolarHBondContact CD-OD2 3.33Å; R104-D225 VanDerWaalsContact CZ-CG 3.41Å; R104-D225 IonicContact CZ-OD1 2.96Å; R104-D225 VanDerWaalsContact CZ-OD1 3.24Å; R104-D225 IonicContact CZ-OD2 2.94Å; R104-D225 IonicContact NE-OD2 2.68Å; R104-D225 PolarHBondContact NE-OD2 2.74Å; R104-D225 VanDerWaalsContact NE-OD2 3.1Å; R104-D225 IonicContact NH1-OD1 3.54Å; R104-D225 PolarHBondContact NH1-OD1 3.33Å; R104-D225 IonicContact NH1-OD2 3.35Å; R104-D225 PolarHBondContact NH1-OD2 2.96Å; R104-D225 IonicContact NH2-OD1 2.78Å; R104-D225 PolarHBondContact NH2-OD1 3.23Å; R104-D225 IonicContact NH2-OD2 3.84Å; R104-D225 PolarHBondContact NH2-OD2 3.4Å; N105-D225 PolarHBondContact ND2-O 3.29Å
226Y92.5Very high91.2Very high65 Ų6564.3 Ų64.326%0.25533%0.331SS..  trans-135.1151.9179.567.2-90.1000111.3K60 A219 L224K60-Y226 HydrophobicContact CB-CD2 3.72Å; K60-Y226 HydrophobicContact CB-CE2 3.97Å; K60-Y226 HydrophobicContact CB-CG 4.13Å; A219-Y226 HydrophobicContact CB-CD1 3.96Å; A219-Y226 HydrophobicContact CB-CE1 3.64Å; L224-Y226 VanDerWaalsContact O-CD1 3.24Å; L224-Y226 WeakPolarHBondContact O-CD1 3.37Å; L224-Y226 PolarHBondContact O-N 3.34Å
227F89.1Confident90.7Very high23 Ų2362.8 Ų62.810%0.10132%0.324CS..BIsolated β-bridgetrans-87.2134.8173.8-177.5-109.1000110.2G58 G59 Y94 D97 T229G58-F227 WeakPolarHBondContact O-CB 3.28Å; G58-F227 PolarHBondContact O-N 3.16Å; G59-F227 WeakPolarHBondContact CA-O 3.39Å; Y94-F227 AromaticContact CD2-CE1 3.67Å; Y94-F227 HydrophobicContact CD2-CE1 3.67Å; Y94-F227 HydrophobicContact CD2-CZ 4.24Å; Y94-F227 HydrophobicContact CE2-CD1 4.44Å; Y94-F227 AromaticContact CE2-CE1 3.68Å; Y94-F227 HydrophobicContact CE2-CE1 3.68Å; Y94-F227 HydrophobicContact CG-CE1 4.35Å; Y94-F227 WeakPolarHBondContact O-CZ 3.05Å; D97-F227 HydrophobicContact CB-CD2 3.76Å; D97-F227 HydrophobicContact CB-CE2 3.29Å; D97-F227 HydrophobicContact CB-CZ 3.98Å; F227-T229 WeakPolarHBondContact CE1-O 3.33Å; F227-T229 WeakPolarHBondContact CE2-OG1 3.37Å; F227-T229 HydrophobicContact CZ-CG2 4.26Å; F227-T229 WeakPolarHBondContact CZ-OG1 3.33Å
228S86.7Confident90.3Very high95 Ų9564.5 Ų64.566%0.66433%0.329SS*.  trans-116.5-12.1-172.959.90000114.7E230S228-E230 PolarHBondContact O-N 3.09Å
229T85.9Confident90.1Very high78 Ų7867.8 Ų67.848%0.47934%0.341SS..PPolyproline II helixtrans-64.2136.4179.3-45.90000109.8Y94 F227Y94-T229 WeakPolarHBondContact CE2-O 3.28Å; F227-T229 WeakPolarHBondContact CE1-O 3.33Å; F227-T229 WeakPolarHBondContact CE2-OG1 3.37Å; F227-T229 HydrophobicContact CZ-CG2 4.26Å; F227-T229 WeakPolarHBondContact CZ-OG1 3.33Å
230E86.4Confident89.8Confident136 Ų13669.5 Ų69.564%0.63636%0.359SS*.PPolyproline II helixtrans-81.1152.2173.9-66.7-162.9160.100111.6S228 K232S228-E230 PolarHBondContact O-N 3.09Å; E230-K232 PolarHBondContact O-N 3.45Å
231C90.6Very high89.7Confident24 Ų2470.1 Ų70.116%0.16236%0.361CS..PPolyproline II helixtrans-64.1131.1176.5168.60000110.6Y94 Y233 A234Y94-C231 HydrophobicContact CD2-CB 4.16Å; Y94-C231 HydrophobicContact CE1-CB 4.3Å; Y94-C231 HydrophobicContact CE2-CB 3.84Å; Y94-C231 VanDerWaalsContact CE2-N 3.26Å; Y94-C231 HydrophobicContact CG-CB 4.5Å; C231-Y233 PolarHBondContact O-N 3.29Å; C231-Y233 PolarHBondContact SG-N 3.48Å; C231-Y233 VanDerWaalsContact SG-N 3.43Å; C231-A234 HydrophobicContact CB-CB 4.16Å; C231-A234 VanDerWaalsContact O-CB 3.23Å; C231-A234 WeakPolarHBondContact O-CB 3.27Å; C231-A234 PolarHBondContact O-N 2.57Å
232K91.5Very high89.8Confident95 Ų9569.9 Ų69.941%0.41336%0.36SS..THydrogen-bonded Turntrans-55.2-2217971.7-168.6-174.8-158.40114.5I91 S92 D127 E230I91-K232 HydrophobicContact CG2-CD 4.06Å; I91-K232 HydrophobicContact CG2-CG 4.09Å; S92-K232 PolarHBondContact O-NZ 3.25Å; S92-K232 VanDerWaalsContact O-NZ 3.14Å; D127-K232 VanDerWaalsContact CG-NZ 3.3Å; D127-K232 WeakPolarHBondContact OD1-CE 3.38Å; D127-K232 IonicContact OD1-NZ 2.95Å; D127-K232 PolarHBondContact OD1-NZ 2.93Å; D127-K232 IonicContact OD2-NZ 3.98Å; D127-K232 PolarHBondContact OD2-NZ 3.43Å; E230-K232 PolarHBondContact O-N 3.45Å
233Y90.6Very high89.8Confident31 Ų3171 Ų7112%0.12236%0.362CS..THydrogen-bonded Turntrans-94.8-13.1177.9-59.9-48.1000114.3I91 D127 V130 N138 C231 P235 Q236I91-Y233 HydrophobicContact CD1-CD2 4.28Å; I91-Y233 HydrophobicContact CG1-CE2 4.46Å; I91-Y233 HydrophobicContact CG2-CD2 4.28Å; I91-Y233 HydrophobicContact CG2-CE2 4.1Å; D127-Y233 WeakPolarHBondContact OD1-CE2 3.39Å; D127-Y233 PolarHBondContact OD1-OH 3.45Å; V130-Y233 HydrophobicContact CB-CE1 4.05Å; V130-Y233 HydrophobicContact CB-CE2 4.38Å; V130-Y233 HydrophobicContact CG1-CD1 4.31Å; V130-Y233 HydrophobicContact CG1-CE1 3.59Å; V130-Y233 HydrophobicContact CG2-CD1 4.12Å; V130-Y233 HydrophobicContact CG2-CD2 4.1Å; V130-Y233 HydrophobicContact CG2-CE1 3.84Å; V130-Y233 HydrophobicContact CG2-CE2 3.8Å; V130-Y233 HydrophobicContact CG2-CG 4.24Å; N138-Y233 WeakPolarHBondContact ND2-CB 3.28Å; C231-Y233 PolarHBondContact O-N 3.29Å; C231-Y233 PolarHBondContact SG-N 3.48Å; C231-Y233 VanDerWaalsContact SG-N 3.43Å; Y233-P235 VanDerWaalsContact C-CD 3.41Å; Y233-Q236 PolarHBondContact O-N 3.32Å
234A87Confident89.8Confident35 Ų3564.8 Ų64.829%0.28935%0.345SS..G310 helixtrans-60.5-35.5-178.300000114.9C231 Q236 A237C231-A234 HydrophobicContact CB-CB 4.16Å; C231-A234 VanDerWaalsContact O-CB 3.23Å; C231-A234 WeakPolarHBondContact O-CB 3.27Å; C231-A234 PolarHBondContact O-N 2.57Å; A234-Q236 PolarHBondContact O-N 2.87Å; A234-A237 WeakPolarHBondContact O-CB 3.47Å; A234-A237 PolarHBondContact O-N 3.48Å
235P85Confident89.8Confident96 Ų9669.4 Ų69.462%0.62337%0.365SS*.G310 helixtrans-58.6-21.2-179.9-28.536.8000114.7Y233 A237Y233-P235 VanDerWaalsContact C-CD 3.41Å; P235-A237 VanDerWaalsContact C-N 3.32Å
236Q76.5Confident90.1Very high133 Ų13367.4 Ų67.462%0.62135%0.354SS*.G310 helixtrans-87-1.8178.9-57.9-59.7-31.900113.1Y233 A234Y233-Q236 PolarHBondContact O-N 3.32Å; A234-Q236 PolarHBondContact O-N 2.87Å
237A86.5Confident90.2Very high25 Ų2566.9 Ų66.921%0.20735%0.353CS..  trans-79.4131.3-177.800000111.5C139 A234 P235 R239 G240C139-A237 HydrophobicContact CB-CB 4.37Å; A234-A237 WeakPolarHBondContact O-CB 3.47Å; A234-A237 PolarHBondContact O-N 3.48Å; P235-A237 VanDerWaalsContact C-N 3.32Å; A237-R239 PolarHBondContact O-N 2.9Å; A237-G240 PolarHBondContact O-N 2.81Å
238Y87.9Confident90.5Very high90 Ų9070 Ų7035%0.35337%0.371SS..THydrogen-bonded Turntrans-51.8-31174.2179.4-99.4000113.7M177 G240 H241 V242M177-Y238 HydrophobicContact CE-CD1 4.06Å; M177-Y238 HydrophobicContact CG-CD1 4.21Å; M177-Y238 HydrophobicContact CG-CE1 4.12Å; Y238-G240 PolarHBondContact O-N 2.93Å; Y238-H241 PolarHBondContact O-N 2.84Å; Y238-V242 HydrophobicContact CD1-CG2 4.41Å; Y238-V242 HydrophobicContact CE1-CG2 3.9Å
239R91.7Very high90.9Very high69 Ų6967.9 Ų67.926%0.2635%0.352SS..Hα-helixtrans-56.3-32176.9179.8175-78.5-144.9-0.4112.6D170 E173 T174 M177 A237 H241 V242 R243D170-R239 IonicContact OD1-NH1 2.76Å; D170-R239 PolarHBondContact OD1-NH1 3.26Å; E173-R239 WeakPolarHBondContact OE2-CD 3.42Å; E173-R239 WeakPolarHBondContact OE2-CG 3.17Å; E173-R239 IonicContact OE2-NE 3.2Å; E173-R239 IonicContact OE2-NH1 3.31Å; T174-R239 PolarHBondContact OG1-NH2 3.49Å; M177-R239 HydrophobicContact CE-CB 4.45Å; M177-R239 HydrophobicContact SD-CB 3.75Å; M177-R239 HydrophobicContact SD-CG 3.91Å; A237-R239 PolarHBondContact O-N 2.9Å; R239-H241 VanDerWaalsContact C-N 3.29Å; R239-H241 PolarHBondContact O-N 2.92Å; R239-V242 PolarHBondContact O-N 2.86Å; R239-R243 WeakPolarHBondContact O-CB 3.35Å; R239-R243 PolarHBondContact O-N 2.81Å
240G92Very high91.3Very high36 Ų3664.4 Ų64.437%0.37133%0.331SS..Hα-helixtrans-57.9-39.2178.800000113.2A237 Y238 R243 A244A237-G240 PolarHBondContact O-N 2.81Å; Y238-G240 PolarHBondContact O-N 2.93Å; G240-R243 PolarHBondContact O-N 3.03Å; G240-A244 PolarHBondContact O-N 2.68Å
241H93.2Very high91.5Very high139 Ų13967.4 Ų67.464%0.64434%0.336SS*.Hα-helixtrans-66.2-42.4177.1-59.4-67.9000112.2Y238 R239 A244 F245Y238-H241 PolarHBondContact O-N 2.84Å; R239-H241 VanDerWaalsContact C-N 3.29Å; R239-H241 PolarHBondContact O-N 2.92Å; H241-A244 PolarHBondContact O-N 2.85Å; H241-F245 PolarHBondContact O-N 3.03Å; H241-F245 VanDerWaalsContact O-N 3.11Å
242V95.4Very high91.6Very high3 Ų372.7 Ų72.72%0.01836%0.362CS..Hα-helixtrans-68.5-39.9179.1-177.80000110.9E173 L176 M177 L180 Y238 R239 F245 I246E173-V242 HydrophobicContact CB-CG1 4.48Å; L176-V242 HydrophobicContact CB-CG1 3.83Å; L176-V242 HydrophobicContact CD2-CG1 3.82Å; L176-V242 HydrophobicContact CG-CG1 3.9Å; M177-V242 HydrophobicContact CG-CB 3.94Å; M177-V242 HydrophobicContact CG-CG1 4.06Å; M177-V242 HydrophobicContact CG-CG2 3.55Å; L180-V242 HydrophobicContact CD1-CG2 3.87Å; Y238-V242 HydrophobicContact CD1-CG2 4.41Å; Y238-V242 HydrophobicContact CE1-CG2 3.9Å; R239-V242 PolarHBondContact O-N 2.86Å; V242-F245 PolarHBondContact O-N 2.76Å; V242-I246 HydrophobicContact CG1-CD1 4.02Å; V242-I246 HydrophobicContact CG1-CG1 4.5Å; V242-I246 WeakPolarHBondContact O-CG1 3.37Å; V242-I246 PolarHBondContact O-N 3.1Å
243R95.3Very high91.7Very high78 Ų7874.1 Ų74.129%0.29436%0.364SS..Hα-helixtrans-57.4-51.3173.4-178.9177.9-62.2160.2-0.7111.4E173 R239 G240 F245 I246 K247E173-R243 HydrophobicContact CG-CB 4.38Å; E173-R243 VanDerWaalsContact OE1-CB 3.3Å; E173-R243 WeakPolarHBondContact OE1-CB 3.22Å; E173-R243 WeakPolarHBondContact OE1-CG 3.21Å; E173-R243 IonicContact OE1-CZ 3.97Å; E173-R243 IonicContact OE1-NE 3.56Å; E173-R243 PolarHBondContact OE1-NE 2.73Å; E173-R243 IonicContact OE1-NH2 3.6Å; E173-R243 IonicContact OE2-NE 2.74Å; E173-R243 IonicContact OE2-NH2 3.74Å; R239-R243 WeakPolarHBondContact O-CB 3.35Å; R239-R243 PolarHBondContact O-N 2.81Å; G240-R243 PolarHBondContact O-N 3.03Å; R243-F245 VanDerWaalsContact C-N 3.31Å; R243-F245 PolarHBondContact O-N 3.38Å; R243-I246 PolarHBondContact O-N 3.46Å; R243-K247 HydrophobicContact CG-CG 4.45Å; R243-K247 WeakPolarHBondContact O-CG 3.33Å; R243-K247 PolarHBondContact O-N 2.83Å
244A95Very high91.6Very high54 Ų5475 Ų7545%0.44637%0.374SS..Hα-helixtrans-56-47.6179.200000111.4G240 H241 I246 K247 D248G240-A244 PolarHBondContact O-N 2.68Å; H241-A244 PolarHBondContact O-N 2.85Å; A244-I246 PolarHBondContact O-N 2.84Å; A244-K247 PolarHBondContact O-N 3.13Å; A244-D248 PolarHBondContact O-N 2.81Å
245F96.4Very high91.9Very high108 Ų10880.3 Ų80.347%0.47439%0.386SS..Hα-helixtrans-61.3-42.3177.4-178.6-108.5000113.1L176 H241 V242 R243 K247 D248 L249L176-F245 HydrophobicContact CD2-CD1 3.55Å; L176-F245 HydrophobicContact CD2-CE1 3.84Å; H241-F245 PolarHBondContact O-N 3.03Å; H241-F245 VanDerWaalsContact O-N 3.11Å; V242-F245 PolarHBondContact O-N 2.76Å; R243-F245 VanDerWaalsContact C-N 3.31Å; R243-F245 PolarHBondContact O-N 3.38Å; F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 3.25Å; F245-D248 PolarHBondContact O-N 2.84Å; F245-L249 HydrophobicContact CD1-CD1 4.1Å; F245-L249 HydrophobicContact CE1-CD1 3.62Å; F245-L249 HydrophobicContact CE1-CG 4.34Å; F245-L249 HydrophobicContact CZ-CD1 3.97Å; F245-L249 HydrophobicContact CZ-CD2 4.4Å; F245-L249 HydrophobicContact CZ-CG 4.34Å; F245-L249 WeakPolarHBondContact O-CG 3.49Å; F245-L249 PolarHBondContact O-N 3.2Å; F245-L249 VanDerWaalsContact O-N 3.14Å
246I96Very high92.4Very high2 Ų276.8 Ų76.81%0.0136%0.363CS..Hα-helixtrans-64.4-39.4176.1-72.6174.2000111.2A172 E173 L176 V242 R243 A244 D248 L249 E250 I257 I260A172-I246 HydrophobicContact CB-CD1 4.08Å; E173-I246 HydrophobicContact CB-CD1 4.27Å; E173-I246 HydrophobicContact CG-CD1 3.89Å; L176-I246 HydrophobicContact CB-CD1 4.48Å; L176-I246 HydrophobicContact CD2-CD1 4.28Å; L176-I246 HydrophobicContact CD2-CG1 4.01Å; V242-I246 HydrophobicContact CG1-CD1 4.02Å; V242-I246 HydrophobicContact CG1-CG1 4.5Å; V242-I246 WeakPolarHBondContact O-CG1 3.37Å; V242-I246 PolarHBondContact O-N 3.1Å; R243-I246 PolarHBondContact O-N 3.46Å; A244-I246 PolarHBondContact O-N 2.84Å; I246-D248 VanDerWaalsContact C-N 3.3Å; I246-D248 PolarHBondContact O-N 3.41Å; I246-L249 PolarHBondContact O-N 2.84Å; I246-E250 WeakPolarHBondContact O-CB 3.4Å; I246-E250 PolarHBondContact O-N 3.49Å; I246-I257 HydrophobicContact CG2-CG1 4.01Å; I246-I260 HydrophobicContact CG1-CD1 4.33Å
247K94.7Very high93.3Very high54 Ų5470.5 Ų70.524%0.23533%0.334CS..Hα-helixtrans-65-34.8177.1-65.3-58.1-175.5-174.10111.9D169 E212 R243 A244 F245 E250 R251D169-K247 IonicContact OD1-NZ 2.74Å; D169-K247 PolarHBondContact OD1-NZ 2.92Å; E212-K247 IonicContact OE2-NZ 3.21Å; E212-K247 PolarHBondContact OE2-NZ 3.06Å; R243-K247 HydrophobicContact CG-CG 4.45Å; R243-K247 WeakPolarHBondContact O-CG 3.33Å; R243-K247 PolarHBondContact O-N 2.83Å; A244-K247 PolarHBondContact O-N 3.13Å; F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 3.25Å; K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 IonicContact NZ-OE2 2.62Å; K247-E250 PolarHBondContact O-N 3.46Å; K247-R251 PolarHBondContact O-N 3.36Å
248D96.1Very high93.7Very high88 Ų8871 Ų7147%0.47133%0.332SS..Hα-helixtrans-63.1-43.8172.7-76.1-32.6000112A244 F245 I246 R251A244-D248 PolarHBondContact O-N 2.81Å; F245-D248 PolarHBondContact O-N 2.84Å; I246-D248 VanDerWaalsContact C-N 3.3Å; I246-D248 PolarHBondContact O-N 3.41Å; D248-R251 PolarHBondContact O-N 2.87Å
249L95.6Very high94.1Very high52 Ų5268.7 Ų68.727%0.27233%0.326SS..Hα-helixtrans-67.4-39.6175.3-61.7176.1000112.4F245 I246 R251 I252 R253 T256F245-L249 HydrophobicContact CD1-CD1 4.1Å; F245-L249 HydrophobicContact CE1-CD1 3.62Å; F245-L249 HydrophobicContact CE1-CG 4.34Å; F245-L249 HydrophobicContact CZ-CD1 3.97Å; F245-L249 HydrophobicContact CZ-CD2 4.4Å; F245-L249 HydrophobicContact CZ-CG 4.34Å; F245-L249 WeakPolarHBondContact O-CG 3.49Å; F245-L249 PolarHBondContact O-N 3.2Å; F245-L249 VanDerWaalsContact O-N 3.14Å; I246-L249 PolarHBondContact O-N 2.84Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.19Å; L249-I252 PolarHBondContact O-N 2.82Å; L249-I252 VanDerWaalsContact O-N 3.14Å; L249-R253 PolarHBondContact O-N 3.31Å; L249-T256 HydrophobicContact CB-CG2 3.78Å; L249-T256 HydrophobicContact CD1-CG2 4.04Å
250E93.5Very high94.2Very high5 Ų566.8 Ų66.82%0.02332%0.321CS..Hα-helixtrans-59.9-37.4177.3-166.9-159.9172.200111.2K213 I246 K247 I252 R253 P254 I257K213-E250 IonicContact NZ-OE1 3.1Å; K213-E250 PolarHBondContact NZ-OE1 3.06Å; K213-E250 IonicContact NZ-OE2 3.22Å; K213-E250 PolarHBondContact NZ-OE2 3.14Å; I246-E250 WeakPolarHBondContact O-CB 3.4Å; I246-E250 PolarHBondContact O-N 3.49Å; K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 IonicContact NZ-OE2 2.62Å; K247-E250 PolarHBondContact O-N 3.46Å; E250-I252 VanDerWaalsContact C-N 3.29Å; E250-I252 PolarHBondContact O-N 2.7Å; E250-R253 CarbonylContact O-C 3.56Å; E250-R253 VanDerWaalsContact O-C 3.23Å; E250-R253 PolarHBondContact O-N 2.62Å; E250-P254 WeakPolarHBondContact O-CA 3.37Å; E250-P254 WeakPolarHBondContact O-CD 3.43Å; E250-P254 VanDerWaalsContact O-N 3.11Å; E250-I257 HydrophobicContact CB-CD1 4.46Å; E250-I257 HydrophobicContact CG-CD1 3.81Å; E250-I257 HydrophobicContact CG-CG1 4.42Å
251R91.3Very high94.4Very high198 Ų19865 Ų6575%0.74730%0.303SS*.Hα-helixtrans-63.4-33.5176.8-174.5173.26399.4-1112.8K247 D248 L249K247-R251 PolarHBondContact O-N 3.36Å; D248-R251 PolarHBondContact O-N 2.87Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.19Å
252I93.1Very high94.4Very high136 Ų13659.3 Ų59.370%0.69728%0.28SS*.Hα-helixtrans-79.8-46.2177.4-59.8168.9000110.2L249 E250L249-I252 PolarHBondContact O-N 2.82Å; L249-I252 VanDerWaalsContact O-N 3.14Å; E250-I252 VanDerWaalsContact C-N 3.29Å; E250-I252 PolarHBondContact O-N 2.7Å
253R92.4Very high94.2Very high125 Ų12562.6 Ų62.647%0.47230%0.303SS..  trans-143.8103.2-178.2179.6-178.7166.2110.3-6.6109.1L249 E250 R255 T256 D259L249-R253 PolarHBondContact O-N 3.31Å; E250-R253 CarbonylContact O-C 3.56Å; E250-R253 VanDerWaalsContact O-C 3.23Å; E250-R253 PolarHBondContact O-N 2.62Å; R253-R255 HydrophobicContact CG-CB 4.26Å; R253-R255 PolarHBondContact O-N 3.23Å; R253-R255 VanDerWaalsContact O-N 3.12Å; R253-T256 VanDerWaalsContact O-CB 3.27Å; R253-T256 WeakPolarHBondContact O-CB 3.16Å; R253-T256 PolarHBondContact O-N 2.83Å; R253-T256 PolarHBondContact O-OG1 2.69Å; R253-D259 IonicContact CZ-OD2 3.19Å; R253-D259 IonicContact NE-OD2 3.57Å; R253-D259 PolarHBondContact NE-OD2 3.11Å; R253-D259 IonicContact NH2-OD2 2.82Å; R253-D259 PolarHBondContact NH2-OD2 3.34Å
254P89.1Confident94.1Very high49 Ų4959.1 Ų59.132%0.31829%0.291SS..THydrogen-bonded Turntrans-56.7-34.8-177.2-29.235.5000113.6P17 Y211 E250 T256P17-P254 WeakPolarHBondContact O-CB 3.06Å; Y211-P254 WeakPolarHBondContact CE1-O 3.38Å; Y211-P254 PolarHBondContact OH-O 3.07Å; Y211-P254 VanDerWaalsContact OH-O 3.06Å; E250-P254 WeakPolarHBondContact O-CA 3.37Å; E250-P254 WeakPolarHBondContact O-CD 3.43Å; E250-P254 VanDerWaalsContact O-N 3.11Å; P254-T256 PolarHBondContact O-N 3.12Å
255R92.8Very high93.8Very high146 Ų14660.3 Ų60.355%0.55129%0.287SS*.THydrogen-bonded Turntrans-59.5-16.2178.5-166.4179.3160.2168.67.1114R253 I257 I258 D259R253-R255 HydrophobicContact CG-CB 4.26Å; R253-R255 PolarHBondContact O-N 3.23Å; R253-R255 VanDerWaalsContact O-N 3.12Å; R255-I257 PolarHBondContact O-N 2.79Å; R255-I257 VanDerWaalsContact O-N 3.11Å; R255-I258 PolarHBondContact O-N 3.43Å; R255-D259 IonicContact CZ-OD1 3.19Å; R255-D259 IonicContact NE-OD1 3.63Å; R255-D259 PolarHBondContact NE-OD1 3.33Å; R255-D259 IonicContact NE-OD2 2.87Å; R255-D259 IonicContact NH2-OD1 2.69Å; R255-D259 PolarHBondContact O-N 2.9Å
256T95.4Very high93.4Very high23 Ų2365.2 Ų65.214%0.14130%0.303CS..Hα-helixtrans-50.8-38.5-178.9-59.70000113.1L249 R253 P254 I258 D259 I260L249-T256 HydrophobicContact CB-CG2 3.78Å; L249-T256 HydrophobicContact CD1-CG2 4.04Å; R253-T256 VanDerWaalsContact O-CB 3.27Å; R253-T256 WeakPolarHBondContact O-CB 3.16Å; R253-T256 PolarHBondContact O-N 2.83Å; R253-T256 PolarHBondContact O-OG1 2.69Å; P254-T256 PolarHBondContact O-N 3.12Å; T256-I258 PolarHBondContact O-N 3.34Å; T256-D259 PolarHBondContact O-N 3.34Å; T256-I260 HydrophobicContact CG2-CD1 3.68Å; T256-I260 HydrophobicContact CG2-CG1 4.1Å; T256-I260 WeakPolarHBondContact O-CB 3.33Å; T256-I260 VanDerWaalsContact O-CG1 3.27Å; T256-I260 WeakPolarHBondContact O-CG1 3.38Å; T256-I260 PolarHBondContact O-N 3.42Å
257I96.2Very high92.9Very high0 Ų068.7 Ų68.70%032%0.32CS..Hα-helixtrans-58.7-50.7179.3-68.6167.6000110.8A168 D169 A172 Y211 I246 E250 R255 I260 I261A168-I257 HydrophobicContact CB-CG2 3.68Å; D169-I257 VanDerWaalsContact OD1-CD1 3.31Å; D169-I257 WeakPolarHBondContact OD1-CD1 3.5Å; A172-I257 HydrophobicContact CB-CG2 4.1Å; Y211-I257 HydrophobicContact CD1-CD1 3.73Å; Y211-I257 HydrophobicContact CE1-CB 3.97Å; Y211-I257 HydrophobicContact CE1-CD1 3.58Å; Y211-I257 HydrophobicContact CE1-CG1 4.25Å; Y211-I257 HydrophobicContact CE1-CG2 4.49Å; Y211-I257 HydrophobicContact CE2-CG2 4.49Å; I246-I257 HydrophobicContact CG2-CG1 4.01Å; E250-I257 HydrophobicContact CB-CD1 4.46Å; E250-I257 HydrophobicContact CG-CD1 3.81Å; E250-I257 HydrophobicContact CG-CG1 4.42Å; R255-I257 PolarHBondContact O-N 2.79Å; R255-I257 VanDerWaalsContact O-N 3.11Å; I257-I260 PolarHBondContact O-N 3.12Å; I257-I261 WeakPolarHBondContact O-CG1 3.37Å; I257-I261 PolarHBondContact O-N 3.2Å
258I95Very high92.2Very high35 Ų3570.8 Ų70.818%0.17935%0.347CS..Hα-helixtrans-71.8-35.8179.5-63.7-68.2000111.3A168 Y209 Y211 R255 T256 I260 I261 A262A168-I258 HydrophobicContact CB-CD1 4.33Å; Y209-I258 HydrophobicContact CD1-CD1 4.01Å; Y211-I258 HydrophobicContact CE2-CD1 3.9Å; Y211-I258 HydrophobicContact CE2-CG1 3.48Å; Y211-I258 VanDerWaalsContact CE2-CG1 3.48Å; Y211-I258 WeakPolarHBondContact OH-CG1 3.28Å; R255-I258 PolarHBondContact O-N 3.43Å; T256-I258 PolarHBondContact O-N 3.34Å; I258-I260 VanDerWaalsContact C-N 3.31Å; I258-I260 PolarHBondContact O-N 2.89Å; I258-I261 HydrophobicContact CD1-CD1 4.29Å; I258-I261 PolarHBondContact O-N 2.84Å; I258-A262 WeakPolarHBondContact O-CB 3.18Å; I258-A262 PolarHBondContact O-N 3.05Å
259D94.9Very high91.4Very high42 Ų4268.5 Ų68.523%0.22534%0.335CS..Hα-helixtrans-63-39.1177.5-70.1-19.1000110.5R253 R255 T256 A262 S263R253-D259 IonicContact CZ-OD2 3.19Å; R253-D259 IonicContact NE-OD2 3.57Å; R253-D259 PolarHBondContact NE-OD2 3.11Å; R253-D259 IonicContact NH2-OD2 2.82Å; R253-D259 PolarHBondContact NH2-OD2 3.34Å; R255-D259 IonicContact CZ-OD1 3.19Å; R255-D259 IonicContact NE-OD1 3.63Å; R255-D259 PolarHBondContact NE-OD1 3.33Å; R255-D259 IonicContact NE-OD2 2.87Å; R255-D259 IonicContact NH2-OD1 2.69Å; R255-D259 PolarHBondContact O-N 2.9Å; T256-D259 PolarHBondContact O-N 3.34Å; D259-A262 PolarHBondContact O-N 3.36Å; D259-S263 PolarHBondContact O-N 2.89Å; D259-S263 PolarHBondContact O-OG 3.22Å
260I95.3Very high90.7Very high29 Ų2974.6 Ų74.615%0.14935%0.354CS..Hα-helixtrans-62.7-44.3172.6-70167.9000111.4A172 V175 I246 T256 I257 I258 S263 G264A172-I260 HydrophobicContact CB-CB 4.2Å; A172-I260 HydrophobicContact CB-CG2 3.95Å; V175-I260 HydrophobicContact CB-CG2 3.88Å; V175-I260 HydrophobicContact CG1-CG2 3.78Å; I246-I260 HydrophobicContact CG1-CD1 4.33Å; T256-I260 HydrophobicContact CG2-CD1 3.68Å; T256-I260 HydrophobicContact CG2-CG1 4.1Å; T256-I260 WeakPolarHBondContact O-CB 3.33Å; T256-I260 VanDerWaalsContact O-CG1 3.27Å; T256-I260 WeakPolarHBondContact O-CG1 3.38Å; T256-I260 PolarHBondContact O-N 3.42Å; I257-I260 PolarHBondContact O-N 3.12Å; I258-I260 VanDerWaalsContact C-N 3.31Å; I258-I260 PolarHBondContact O-N 2.89Å; I260-S263 WeakPolarHBondContact O-CB 3.49Å; I260-S263 PolarHBondContact O-N 3.2Å; I260-G264 PolarHBondContact O-N 3.42Å
261I94.7Very high90Very high0 Ų080.7 Ų80.70%040%0.397CS..Hα-helixtrans-61.6-47.1177-64.2173000110.1A168 I171 A172 T191 Y209 I257 I258 S263 G264 E265A168-I261 HydrophobicContact CB-CD1 3.89Å; I171-I261 HydrophobicContact CB-CD1 4.18Å; I171-I261 HydrophobicContact CB-CG1 4.29Å; I171-I261 HydrophobicContact CG2-CD1 4.24Å; I171-I261 HydrophobicContact CG2-CG1 3.92Å; I171-I261 HydrophobicContact CG2-CG2 4.41Å; A172-I261 HydrophobicContact CB-CG1 4.4Å; T191-I261 HydrophobicContact CG2-CG2 4.45Å; Y209-I261 HydrophobicContact CE1-CG2 4.17Å; I257-I261 WeakPolarHBondContact O-CG1 3.37Å; I257-I261 PolarHBondContact O-N 3.2Å; I258-I261 HydrophobicContact CD1-CD1 4.29Å; I258-I261 PolarHBondContact O-N 2.84Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 2.75Å; I261-G264 CarbonylContact O-C 3.55Å; I261-G264 WeakPolarHBondContact O-CA 3.3Å; I261-G264 PolarHBondContact O-N 3.43Å; I261-E265 HydrophobicContact CG2-CG 4.34Å; I261-E265 WeakPolarHBondContact O-CG 3.44Å; I261-E265 PolarHBondContact O-N 2.86Å
262A93.5Very high89.6Confident18 Ų1875.8 Ų75.815%0.14939%0.386CS..Hα-helixtrans-61.5-38.5178.400000111.9I258 D259 E265 R266I258-A262 WeakPolarHBondContact O-CB 3.18Å; I258-A262 PolarHBondContact O-N 3.05Å; D259-A262 PolarHBondContact O-N 3.36Å; A262-E265 PolarHBondContact O-N 3.19Å; A262-R266 WeakPolarHBondContact O-CB 3.49Å; A262-R266 WeakPolarHBondContact O-CG 3.21Å; A262-R266 PolarHBondContact O-N 2.96Å
263S92.6Very high88.9Confident72 Ų7271.7 Ų71.750%0.50337%0.367SS..Hα-helixtrans-61.1-44.9171-69.80000111.6D259 I260 I261 E265 R266 M267D259-S263 PolarHBondContact O-N 2.89Å; D259-S263 PolarHBondContact O-OG 3.22Å; I260-S263 WeakPolarHBondContact O-CB 3.49Å; I260-S263 PolarHBondContact O-N 3.2Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 2.75Å; S263-E265 VanDerWaalsContact C-N 3.35Å; S263-E265 PolarHBondContact O-N 3.39Å; S263-R266 PolarHBondContact O-N 3.31Å; S263-M267 WeakPolarHBondContact O-CB 3.31Å; S263-M267 PolarHBondContact O-N 3.48Å
264G91.8Very high88.1Confident5 Ų575.2 Ų75.25%0.05239%0.386CS..Hα-helixtrans-64.7-34.3176.400000113.7I260 I261I260-G264 PolarHBondContact O-N 3.42Å; I261-G264 CarbonylContact O-C 3.55Å; I261-G264 WeakPolarHBondContact O-CA 3.3Å; I261-G264 PolarHBondContact O-N 3.43Å
265E89.7Confident87.6Confident79 Ų7976.1 Ų76.137%0.36939%0.387SS..Hα-helixtrans-69.3-34.9175.2-71.2171.9159.700113T191 K208 Y209 I261 A262 S263T191-E265 HydrophobicContact CG2-CG 4.36Å; K208-E265 WeakPolarHBondContact CE-OE1 3.38Å; K208-E265 IonicContact NZ-OE1 3.49Å; K208-E265 PolarHBondContact NZ-OE1 3.29Å; Y209-E265 PolarHBondContact OH-OE1 2.96Å; I261-E265 HydrophobicContact CG2-CG 4.34Å; I261-E265 WeakPolarHBondContact O-CG 3.44Å; I261-E265 PolarHBondContact O-N 2.86Å; A262-E265 PolarHBondContact O-N 3.19Å; S263-E265 VanDerWaalsContact C-N 3.35Å; S263-E265 PolarHBondContact O-N 3.39Å
266R88.3Confident86.8Confident211 Ų21172 Ų7280%0.79638%0.379SS*.Hα-helixtrans-90.8-9.6-177.8-66.5175.7-171.9166.31.9113.7A262 S263 A268A262-R266 WeakPolarHBondContact O-CB 3.49Å; A262-R266 WeakPolarHBondContact O-CG 3.21Å; A262-R266 PolarHBondContact O-N 2.96Å; S263-R266 PolarHBondContact O-N 3.31Å; R266-A268 PolarHBondContact O-N 3.28Å; R266-A268 VanDerWaalsContact O-N 3.12Å
267M85.8Confident86.1Confident76 Ų7678.9 Ų78.937%0.37441%0.409SS..  trans-67.5112.2-176.3-167.7172.8-69.900110.6I179 L187 S263I179-M267 HydrophobicContact CD1-CE 4.2Å; L187-M267 HydrophobicContact CD1-SD 3.7Å; S263-M267 WeakPolarHBondContact O-CB 3.31Å; S263-M267 PolarHBondContact O-N 3.48Å
268A80.2Confident85.5Confident97 Ų9783.6 Ų83.680%0.80243%0.43SS*.  trans-80.3135.3170.100000109.8R266R266-A268 PolarHBondContact O-N 3.28Å; R266-A268 VanDerWaalsContact O-N 3.12Å
269I78.2Confident85.2Confident40 Ų4084.1 Ų84.121%0.20544%0.436CS..  trans-104.3141.2173.5-62.3166.2000107.4I184 K188 V273I184-I269 HydrophobicContact CG2-CB 4.27Å; I184-I269 HydrophobicContact CG2-CD1 3.99Å; I184-I269 HydrophobicContact CG2-CG1 3.72Å; I184-I269 HydrophobicContact CG2-CG2 3.62Å; I184-I269 WeakPolarHBondContact O-CD1 3.41Å; K188-I269 HydrophobicContact CB-CD1 3.58Å; K188-I269 HydrophobicContact CG-CD1 4.16Å; I269-V273 HydrophobicContact CG2-CB 3.72Å; I269-V273 HydrophobicContact CG2-CG1 4.09Å; I269-V273 HydrophobicContact CG2-CG2 3.57Å
270R81.1Confident84.9Confident181 Ų18187.6 Ų87.668%0.68345%0.454SS*.  trans-56.9141.9176.4-62.3169.447.4153.20.9110.7D272 V273R270-D272 WeakPolarHBondContact CB-OD1 3.36Å; R270-D272 IonicContact CZ-OD1 3.98Å; R270-D272 IonicContact CZ-OD2 2.89Å; R270-D272 IonicContact NE-OD1 3.59Å; R270-D272 PolarHBondContact NE-OD1 3.35Å; R270-D272 IonicContact NE-OD2 3.02Å; R270-D272 IonicContact NH2-OD1 2.83Å; R270-D272 IonicContact NH2-OD2 3.87Å; R270-D272 PolarHBondContact NH2-OD2 2.88Å; R270-D272 PolarHBondContact O-N 2.99Å; R270-V273 HydrophobicContact CB-CG2 4.27Å; R270-V273 WeakPolarHBondContact O-CG2 3.47Å; R270-V273 PolarHBondContact O-N 3.43Å
271S78.5Confident84.9Confident133 Ų13386.2 Ų86.293%0.9345%0.447SS*.THydrogen-bonded Turntrans-64.5-22.7-176.348.40000113.9V273S271-V273 VanDerWaalsContact C-N 3.31Å
272D83.1Confident84.9Confident95 Ų9592.3 Ų92.351%0.50848%0.475SS..THydrogen-bonded Turntrans-81.7-5.3179.464.7-32.4000114R270 K274R270-D272 WeakPolarHBondContact CB-OD1 3.36Å; R270-D272 IonicContact CZ-OD1 3.98Å; R270-D272 IonicContact CZ-OD2 2.89Å; R270-D272 IonicContact NE-OD1 3.59Å; R270-D272 PolarHBondContact NE-OD1 3.35Å; R270-D272 IonicContact NE-OD2 3.02Å; R270-D272 IonicContact NH2-OD1 2.83Å; R270-D272 IonicContact NH2-OD2 3.87Å; R270-D272 PolarHBondContact NH2-OD2 2.88Å; R270-D272 PolarHBondContact O-N 2.99Å; D272-K274 PolarHBondContact O-N 3.49Å; D272-K274 VanDerWaalsContact O-N 3.11Å
273V78.3Confident85Confident50 Ų5097.2 Ų97.230%0.30349%0.493SS..SBendtrans-70.3109.3174.6178.80000109.3I269 R270 S271 M275I269-V273 HydrophobicContact CG2-CB 3.72Å; I269-V273 HydrophobicContact CG2-CG1 4.09Å; I269-V273 HydrophobicContact CG2-CG2 3.57Å; R270-V273 HydrophobicContact CB-CG2 4.27Å; R270-V273 WeakPolarHBondContact O-CG2 3.47Å; R270-V273 PolarHBondContact O-N 3.43Å; S271-V273 VanDerWaalsContact C-N 3.31Å; V273-M275 PolarHBondContact O-N 3.26Å; V273-M275 VanDerWaalsContact O-N 3.14Å
274K76.3Confident85Confident199 Ų19995.5 Ų95.587%0.86548%0.481SS*.PPolyproline II helixtrans-59.5117.5174.9-72.2-174178.8-179.90110.3D272D272-K274 PolarHBondContact O-N 3.49Å; D272-K274 VanDerWaalsContact O-N 3.11Å
275M76.9Confident84.9Confident68 Ų68102.2 Ų102.234%0.33551%0.508SS..PPolyproline II helixtrans-83.3139.5172.2-68.5-64.1-6500109.8K188 V273 Q277K188-M275 HydrophobicContact CD-CE 4.41Å; V273-M275 PolarHBondContact O-N 3.26Å; V273-M275 VanDerWaalsContact O-N 3.14Å; M275-Q277 PolarHBondContact O-N 2.86Å
276P77.5Confident84.9Confident59 Ų5999.6 Ų99.638%0.38350%0.498SS..PPolyproline II helixtrans-60.4124.1173.422-30.3000109.7
277Q80.2Confident84.8Confident168 Ų16893.6 Ų93.679%0.78548%0.481SS*.PPolyproline II helixtrans-73.5138.1174-73.1-176.1-20.900109.6M275 S289M275-Q277 PolarHBondContact O-N 2.86Å; Q277-S289 VanDerWaalsContact O-CA 3.28Å; Q277-S289 WeakPolarHBondContact O-CA 3.3Å
278K83.3Confident84.9Confident99 Ų9990.7 Ų90.743%0.4347%0.469SS..PPolyproline II helixtrans-75.8136.6174.6-66.2-179.3179.4-179.50109D199 S288D199-K278 WeakPolarHBondContact OD1-CD 3.47Å; D199-K278 WeakPolarHBondContact OD1-CE 3.41Å; D199-K278 IonicContact OD1-NZ 2.83Å; D199-K278 PolarHBondContact OD1-NZ 3.35Å; D199-K278 IonicContact OD2-NZ 3.1Å; D199-K278 PolarHBondContact OD2-NZ 2.9Å; K278-S288 WeakPolarHBondContact CA-O 3.34Å
279S88.4Confident85.2Confident45 Ų4589.4 Ų89.432%0.31545%0.454SS..EExtended strand (participates in β ladder)trans-139.5173.7173.8670000110S288 Q290S279-S288 PolarHBondContact N-O 2.84Å; S279-S288 PolarHBondContact O-N 3.43Å; S279-S288 VanDerWaalsContact O-O 3.08Å; S279-Q290 PolarHBondContact OG-O 2.8Å
280I90.1Very high85.8Confident115 Ų11592 Ų9259%0.5947%0.465SS*.EExtended strand (participates in β ladder)trans-100.6132.3172-64.9175.2000107.8E282 K285I280-E282 PolarHBondContact O-N 3.44Å; I280-K285 HydrophobicContact CG2-CB 4.17Å; I280-K285 HydrophobicContact CG2-CD 4.26Å; I280-K285 WeakPolarHBondContact CG2-O 3.38Å
281C94Very high86.3Confident0 Ų087.1 Ų87.10%046%0.457CS..  trans-63.4128.5175.7178.50000110.6K283 K285 C286 P291 C293C281-K283 VanDerWaalsContact C-N 3.29Å; C281-K283 PolarHBondContact O-N 3.42Å; C281-K285 WeakPolarHBondContact O-CA 3.38Å; C281-K285 PolarHBondContact O-N 3.36Å; C281-C286 VanDerWaalsContact CB-O 3.28Å; C281-C286 WeakPolarHBondContact CB-O 3.38Å; C281-C286 PolarHBondContact N-O 2.7Å; C281-P291 CarbonylContact C-O 3.51Å; C281-P291 WeakPolarHBondContact CA-O 3.26Å; C281-C293 HydrophobicContact CB-CB 3.87Å; C281-C293 PolarHBondContact SG-N 2.78Å
282E95.7Very high87.1Confident128 Ų12883.8 Ų83.860%0.59843%0.428SS*.THydrogen-bonded Turntrans-63.3-35.3-178.5-68.3172.5-171.200112.6I280 K285 P291I280-E282 PolarHBondContact O-N 3.44Å; E282-K285 PolarHBondContact O-NZ 2.82Å; E282-P291 PolarHBondContact N-O 3.47Å
283K93.9Very high87.6Confident122 Ų12279.7 Ų79.753%0.5341%0.406SS..THydrogen-bonded Turntrans-81.6-49.8-175.7-166.3174.4-169.9174.70113.9C281 C296 E300C281-K283 VanDerWaalsContact C-N 3.29Å; C281-K283 PolarHBondContact O-N 3.42Å; K283-C296 HydrophobicContact CD-CB 3.96Å; K283-E300 IonicContact NZ-OE2 3.01Å; K283-E300 PolarHBondContact NZ-OE2 3.44Å
284C92.6Very high88.4Confident35 Ų3581.4 Ų81.424%0.23641%0.411CS..THydrogen-bonded Turntrans-111.3-3.2-174.169.30000114.9Q148 C286Q148-C284 PolarHBondContact NE2-SG 3.47Å; Q148-C284 VanDerWaalsContact NE2-SG 3.4Å; C284-C286 PolarHBondContact O-N 3.33Å; C284-C286 VanDerWaalsContact SG-SG 3.64Å
285K91.1Very high89.3Confident147 Ų14772.1 Ų72.164%0.63937%0.372SS*.  trans59.98.9-176.4-48.2-53.3-173.7-163.80115.8I280 C281 E282I280-K285 HydrophobicContact CG2-CB 4.17Å; I280-K285 HydrophobicContact CG2-CD 4.26Å; I280-K285 WeakPolarHBondContact CG2-O 3.38Å; C281-K285 WeakPolarHBondContact O-CA 3.38Å; C281-K285 PolarHBondContact O-N 3.36Å; E282-K285 PolarHBondContact O-NZ 2.82Å
286C88.6Confident90.2Very high23 Ų2369.4 Ų69.416%0.15536%0.359CS..  trans-73.8159.5170.3-59.10000111.9C281 C284 S288C281-C286 VanDerWaalsContact CB-O 3.28Å; C281-C286 WeakPolarHBondContact CB-O 3.38Å; C281-C286 PolarHBondContact N-O 2.7Å; C284-C286 PolarHBondContact O-N 3.33Å; C284-C286 VanDerWaalsContact SG-SG 3.64Å; C286-S288 PolarHBondContact O-N 2.97Å
287I86.6Confident91.1Very high85 Ų8568.8 Ų68.844%0.43635%0.352SS..EExtended strand (participates in β ladder)trans-59.4135.4173.9-60.9169.2000110D199D199-I287 HydrophobicContact CB-CD1 3.7Å
288S89.1Confident91.7Very high16 Ų1661.2 Ų61.211%0.11232%0.317CS..EExtended strand (participates in β ladder)trans-142.4171.2-177.7-1700000110.4K278 S279 C286 Q290 C293K278-S288 WeakPolarHBondContact CA-O 3.34Å; S279-S288 PolarHBondContact N-O 2.84Å; S279-S288 PolarHBondContact O-N 3.43Å; S279-S288 VanDerWaalsContact O-O 3.08Å; C286-S288 PolarHBondContact O-N 2.97Å; S288-Q290 VanDerWaalsContact CB-O 3.24Å; S288-Q290 WeakPolarHBondContact CB-O 3.44Å; S288-Q290 PolarHBondContact OG-N 3.05Å; S288-Q290 VanDerWaalsContact OG-N 3.16Å; S288-Q290 PolarHBondContact OG-O 3.37Å; S288-C293 WeakPolarHBondContact OG-CA 3.33Å
289S86.4Confident92.3Very high70 Ų7058.2 Ų58.249%0.4931%0.306SS..SBendtrans-117.813.5165.864.20000112.6Q277Q277-S289 VanDerWaalsContact O-CA 3.28Å; Q277-S289 WeakPolarHBondContact O-CA 3.3Å
290Q89.3Confident92.6Very high94 Ų9460.9 Ų60.944%0.43931%0.313SS..SBendtrans-148.3158.8-176.6-64.2-178.95.300108.3S279 S288 I292S279-Q290 PolarHBondContact OG-O 2.8Å; S288-Q290 VanDerWaalsContact CB-O 3.24Å; S288-Q290 WeakPolarHBondContact CB-O 3.44Å; S288-Q290 PolarHBondContact OG-N 3.05Å; S288-Q290 VanDerWaalsContact OG-N 3.16Å; S288-Q290 PolarHBondContact OG-O 3.37Å; Q290-I292 VanDerWaalsContact C-N 3.26Å; Q290-I292 PolarHBondContact O-N 3.43Å
291P92.7Very high92.7Very high79 Ų7960.3 Ų60.351%0.51331%0.308SS..SBendtrans-52.1-43.4177.8-29.236.7000113.4C281 E282C281-P291 CarbonylContact C-O 3.51Å; C281-P291 WeakPolarHBondContact CA-O 3.26Å; E282-P291 PolarHBondContact N-O 3.47Å
292I94.7Very high92.6Very high62 Ų6260.3 Ų60.332%0.31831%0.308SS..SBendtrans-110.9128.1173.5-55.2-179.8000108.3Q290 C296 I297Q290-I292 VanDerWaalsContact C-N 3.26Å; Q290-I292 PolarHBondContact O-N 3.43Å; I292-C296 HydrophobicContact CG2-CB 3.46Å; I292-C296 VanDerWaalsContact CG2-CB 3.46Å; I292-I297 HydrophobicContact CB-CG1 4.27Å; I292-I297 HydrophobicContact CG2-CG1 3.84Å
293C94.3Very high92.5Very high9 Ų957.7 Ų57.76%0.06130%0.298CS..  trans-70.6155.1179.875.30000111.6C281 S288 A295 C296 I297C281-C293 HydrophobicContact CB-CB 3.87Å; C281-C293 PolarHBondContact SG-N 2.78Å; S288-C293 WeakPolarHBondContact OG-CA 3.33Å; C293-A295 PolarHBondContact O-N 2.96Å; C293-A295 VanDerWaalsContact O-N 3.14Å; C293-C296 WeakPolarHBondContact O-CB 3.04Å; C293-C296 PolarHBondContact O-N 3.35Å; C293-C296 PolarHBondContact SG-N 3.19Å; C293-I297 PolarHBondContact O-N 2.81Å
294Q94.5Very high92.1Very high86 Ų8656.7 Ų56.740%0.40231%0.307SS..Hα-helixtrans-57.1-33.8-179.1-165.666.715.100112.9I144 I297 L298I144-Q294 HydrophobicContact CD1-CB 4.4Å; I144-Q294 HydrophobicContact CD1-CG 3.53Å; I144-Q294 HydrophobicContact CG1-CG 4.39Å; I144-Q294 HydrophobicContact CG2-CB 4.27Å; I144-Q294 HydrophobicContact CG2-CG 4.4Å; Q294-I297 PolarHBondContact O-N 3.12Å; Q294-L298 HydrophobicContact CG-CD1 4.4Å; Q294-L298 HydrophobicContact CG-CG 4.35Å; Q294-L298 WeakPolarHBondContact O-CB 3.47Å; Q294-L298 VanDerWaalsContact O-CG 3.28Å; Q294-L298 WeakPolarHBondContact O-CG 3.46Å; Q294-L298 PolarHBondContact O-N 3.48Å
295A95.6Very high91Very high5 Ų557.5 Ų57.54%0.04132%0.32CS..Hα-helixtrans-63.4-44.1176.300000111.6I144 F145 Q148 C293 L298 L299I144-A295 HydrophobicContact CG2-CB 3.78Å; F145-A295 HydrophobicContact CD1-CB 4.09Å; F145-A295 HydrophobicContact CE1-CB 4.19Å; Q148-A295 HydrophobicContact CB-CB 4.48Å; C293-A295 PolarHBondContact O-N 2.96Å; C293-A295 VanDerWaalsContact O-N 3.14Å; A295-L298 PolarHBondContact O-N 3.16Å; A295-L299 VanDerWaalsContact O-CB 3.3Å; A295-L299 WeakPolarHBondContact O-CB 3.39Å; A295-L299 PolarHBondContact O-N 2.85Å
296C96Very high89.5Confident10 Ų1054.7 Ų54.77%0.06831%0.312CS..Hα-helixtrans-64.3-40176.1-74.80000112.3K283 I292 C293 L299 E300K283-C296 HydrophobicContact CD-CB 3.96Å; I292-C296 HydrophobicContact CG2-CB 3.46Å; I292-C296 VanDerWaalsContact CG2-CB 3.46Å; C293-C296 WeakPolarHBondContact O-CB 3.04Å; C293-C296 PolarHBondContact O-N 3.35Å; C293-C296 PolarHBondContact SG-N 3.19Å; C296-L299 PolarHBondContact O-N 2.92Å; C296-E300 WeakPolarHBondContact O-CB 3.19Å; C296-E300 PolarHBondContact O-N 3.04Å
297I95.3Very high87.3Confident46 Ų4658.6 Ų58.624%0.23634%0.337CS..Hα-helixtrans-62.4-49.6176.5-64.4171000110.4I292 C293 Q294 L299 E300 Q301I292-I297 HydrophobicContact CB-CG1 4.27Å; I292-I297 HydrophobicContact CG2-CG1 3.84Å; C293-I297 PolarHBondContact O-N 2.81Å; Q294-I297 PolarHBondContact O-N 3.12Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 3.25Å; I297-E300 PolarHBondContact O-N 3.4Å; I297-Q301 WeakPolarHBondContact O-CG 3.45Å; I297-Q301 PolarHBondContact O-N 3.25Å
298L94.5Very high85.2Confident9 Ų963.3 Ų63.35%0.04736%0.357CS..Hα-helixtrans-64.1-38.3179.7-70.5-174.1000112.2Y141 I144 F145 Q294 A295 E300 Q301 L302Y141-L298 HydrophobicContact CD1-CB 3.94Å; Y141-L298 HydrophobicContact CD1-CD1 3.91Å; Y141-L298 HydrophobicContact CD1-CD2 4.49Å; Y141-L298 HydrophobicContact CD1-CG 4.33Å; Y141-L298 HydrophobicContact CD2-CD1 4.44Å; Y141-L298 HydrophobicContact CE1-CB 3.65Å; Y141-L298 HydrophobicContact CE1-CD1 4.13Å; Y141-L298 HydrophobicContact CE1-CD2 3.88Å; Y141-L298 HydrophobicContact CE1-CG 4.08Å; Y141-L298 HydrophobicContact CE2-CD2 4.17Å; Y141-L298 HydrophobicContact CG-CD1 4.08Å; I144-L298 HydrophobicContact CB-CD1 4.29Å; I144-L298 HydrophobicContact CD1-CD1 3.49Å; I144-L298 VanDerWaalsContact CD1-CD1 3.49Å; I144-L298 HydrophobicContact CG1-CD1 4.5Å; I144-L298 HydrophobicContact CG2-CD1 4.3Å; F145-L298 HydrophobicContact CE1-CB 4.08Å; F145-L298 HydrophobicContact CZ-CB 4.11Å; Q294-L298 HydrophobicContact CG-CD1 4.4Å; Q294-L298 HydrophobicContact CG-CG 4.35Å; Q294-L298 WeakPolarHBondContact O-CB 3.47Å; Q294-L298 VanDerWaalsContact O-CG 3.28Å; Q294-L298 WeakPolarHBondContact O-CG 3.46Å; Q294-L298 PolarHBondContact O-N 3.48Å; A295-L298 PolarHBondContact O-N 3.16Å; L298-E300 VanDerWaalsContact C-N 3.35Å; L298-Q301 PolarHBondContact O-N 3.35Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.63Å; L298-L302 VanDerWaalsContact O-N 3.12Å
299L95.2Very high82.7Confident37 Ų3769.3 Ų69.319%0.19439%0.386CS..Hα-helixtrans-66.2-38.8176.7-175.959.7000112Y122 F145 A295 C296 I297 Q301 L302 N303Y122-L299 HydrophobicContact CD1-CD2 4.38Å; Y122-L299 WeakPolarHBondContact O-CD1 3.24Å; F145-L299 HydrophobicContact CZ-CB 4.46Å; A295-L299 VanDerWaalsContact O-CB 3.3Å; A295-L299 WeakPolarHBondContact O-CB 3.39Å; A295-L299 PolarHBondContact O-N 2.85Å; C296-L299 PolarHBondContact O-N 2.92Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 3.25Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; L299-L302 PolarHBondContact O-N 3.31Å; L299-N303 WeakPolarHBondContact O-CB 3.31Å; L299-N303 VanDerWaalsContact O-CG 3.27Å; L299-N303 PolarHBondContact O-N 2.7Å; L299-N303 PolarHBondContact O-ND2 3.07Å
300E94.6Very high80Confident100 Ų10071.2 Ų71.247%0.46740%0.395SS..Hα-helixtrans-65.5-37.7176.1-166.8163.515700112.2K283 C296 I297 L298 L302 N303 S304K283-E300 IonicContact NZ-OE2 3.01Å; K283-E300 PolarHBondContact NZ-OE2 3.44Å; C296-E300 WeakPolarHBondContact O-CB 3.19Å; C296-E300 PolarHBondContact O-N 3.04Å; I297-E300 PolarHBondContact O-N 3.4Å; L298-E300 VanDerWaalsContact C-N 3.35Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.46Å; E300-N303 PolarHBondContact O-N 3.2Å; E300-S304 PolarHBondContact O-N 2.91Å
301Q92.1Very high77.4Confident103 Ų10372.9 Ų72.948%0.48141%0.406SS..Hα-helixtrans-63.8-35.2172.7-71.5175.9-7.300113.2I297 L298 L299 S304I297-Q301 WeakPolarHBondContact O-CG 3.45Å; I297-Q301 PolarHBondContact O-N 3.25Å; L298-Q301 PolarHBondContact O-N 3.35Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; Q301-S304 PolarHBondContact O-OG 3.48Å; Q301-S304 VanDerWaalsContact O-OG 3.1Å
302L92.7Very high74.4Confident1 Ų177.7 Ų77.71%0.00542%0.419CS..Hα-helixtrans-70.9-39.7175-68.8168.2000111.1W124 I129 I133 Y141 F145 L298 L299 E300W124-L302 HydrophobicContact CD2-CB 4.33Å; W124-L302 HydrophobicContact CD2-CD1 4.35Å; W124-L302 HydrophobicContact CG-CD1 4.25Å; W124-L302 HydrophobicContact CH2-CB 4.45Å; W124-L302 HydrophobicContact CZ2-CB 3.78Å; W124-L302 WeakPolarHBondContact CZ2-O 3.02Å; I129-L302 HydrophobicContact CD1-CD1 4.3Å; I129-L302 HydrophobicContact CG1-CD1 3.89Å; I129-L302 HydrophobicContact CG1-CD2 4.41Å; I129-L302 HydrophobicContact CG2-CD2 4.4Å; I133-L302 HydrophobicContact CG2-CD2 3.77Å; Y141-L302 HydrophobicContact CD1-CD1 4.02Å; Y141-L302 HydrophobicContact CD1-CG 4.49Å; Y141-L302 HydrophobicContact CE1-CD1 3.9Å; Y141-L302 HydrophobicContact CE1-CD2 4.08Å; Y141-L302 HydrophobicContact CE1-CG 3.89Å; F145-L302 HydrophobicContact CE2-CD1 4.05Å; F145-L302 HydrophobicContact CZ-CD1 4.08Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.63Å; L298-L302 VanDerWaalsContact O-N 3.12Å; L299-L302 PolarHBondContact O-N 3.31Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.46Å
303N92.7Very high71.4Confident73 Ų7382 Ų8239%0.3944%0.443SS..Hα-helixtrans-78.9-22.1-175.9-67.9-13.1000113.7W124 L299 E300 G305 L306W124-N303 PolarHBondContact NE1-OD1 3.03Å; L299-N303 WeakPolarHBondContact O-CB 3.31Å; L299-N303 VanDerWaalsContact O-CG 3.27Å; L299-N303 PolarHBondContact O-N 2.7Å; L299-N303 PolarHBondContact O-ND2 3.07Å; E300-N303 PolarHBondContact O-N 3.2Å; N303-G305 PolarHBondContact O-N 2.85Å; N303-L306 PolarHBondContact O-N 3.44Å; N303-L306 VanDerWaalsContact O-N 3.17Å
304S86.2Confident68.4Low101 Ų10187.9 Ų87.971%0.70648%0.478SS*.THydrogen-bonded Turntrans-67.8-15.1179.561.90000114.1E300 Q301E300-S304 PolarHBondContact O-N 2.91Å; Q301-S304 PolarHBondContact O-OG 3.48Å; Q301-S304 VanDerWaalsContact O-OG 3.1Å
305G67.9Low65.5Low51 Ų5196.7 Ų96.753%0.52652%0.52SS..THydrogen-bonded Turntrans-94.5-3.5174.100000115N303N303-G305 PolarHBondContact O-N 2.85Å
306L60.3Low64Low89 Ų89101.3 Ų101.347%0.46654%0.544SS..SBendtrans-92.7134.9178.2-69.8173.7000110.1W124 N303 Q308W124-L306 HydrophobicContact CH2-CD1 4.02Å; W124-L306 HydrophobicContact CH2-CD2 4.24Å; W124-L306 HydrophobicContact CH2-CG 4.18Å; W124-L306 HydrophobicContact CZ2-CD1 3.4Å; W124-L306 VanDerWaalsContact CZ2-CD1 3.4Å; W124-L306 HydrophobicContact CZ2-CD2 4.44Å; W124-L306 HydrophobicContact CZ2-CG 3.94Å; N303-L306 PolarHBondContact O-N 3.44Å; N303-L306 VanDerWaalsContact O-N 3.17Å; L306-Q308 PolarHBondContact O-N 2.77Å
307P42.8Very low62.3Low105 Ų105106.1 Ų106.168%0.68257%0.569SS**  trans-59125.8168.223.8-29.4000108.3I309P307-I309 VanDerWaalsContact C-N 3.31Å; P307-I309 PolarHBondContact O-N 3.42Å
308Q42.7Very low60.4Low183 Ų183109.4 Ų109.486%0.85559%0.587SS**  trans-63.197.3170.8-79.1-171.8-10.600107.7L306 T310L306-Q308 PolarHBondContact O-N 2.77Å; Q308-T310 PolarHBondContact O-N 2.59Å
309I37Very low58.4Low142 Ų142115.4 Ų115.473%0.72862%0.619SS**  trans-74.487168.4-55.2177.7000105.8P307 I311P307-I309 VanDerWaalsContact C-N 3.31Å; P307-I309 PolarHBondContact O-N 3.42Å; I309-I311 VanDerWaalsContact C-N 3.26Å; I309-I311 HydrophobicContact CG2-CG1 3.82Å; I309-I311 PolarHBondContact O-N 3.04Å
310T29.1Very low56.1Low110 Ų110120.3 Ų120.368%0.67565%0.645SS**  trans-70.391.1163.6-42.40000106.2Q308 K312Q308-T310 PolarHBondContact O-N 2.59Å; T310-K312 PolarHBondContact O-N 3.03Å
311I34.2Very low53.6Low130 Ų130121.6 Ų121.667%0.66766%0.657SS**  trans-67.497.6160.6-55.9-179.8000104.3I309 D313I309-I311 VanDerWaalsContact C-N 3.26Å; I309-I311 HydrophobicContact CG2-CG1 3.82Å; I309-I311 PolarHBondContact O-N 3.04Å; I311-D313 VanDerWaalsContact C-N 3.34Å; I311-D313 PolarHBondContact O-N 3.15Å; I311-D313 VanDerWaalsContact O-N 3.13Å
312K29.8Very low50.8Low180 Ų180122.9 Ų122.978%0.78367%0.67SS**  trans-62.7107.5156-85.9-174.9173.5-175.40104.7T310 T314T310-K312 PolarHBondContact O-N 3.03Å; K312-T314 PolarHBondContact O-N 3.39Å
313D31.5Very low47.6Very low152 Ų152132.3 Ų132.381%0.81372%0.721SS**  trans-54.1110.7157.8-68.9-36.3000106I311I311-D313 VanDerWaalsContact C-N 3.34Å; I311-D313 PolarHBondContact O-N 3.15Å; I311-D313 VanDerWaalsContact O-N 3.13Å
314T31.3Very low43.8Very low133 Ų133137.3 Ų137.382%0.81675%0.749SS**  trans-62.2136.4171.535.90000108.9K312K312-T314 PolarHBondContact O-N 3.39Å
315E33.2Very low40Very low271 Ų271140.5 Ų140.5100%1.26675%0.752SS**  trans-31.80174-63.3171.1159.600116.2

Retrieved 315 of 315 residues in 74.7 ms (Link to these results)

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