A0A077ZIG9_TRITR Loading...

L-lactate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZIG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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
1M46Very low88.4Confident223 Ų22341.5 Ų41.5100%1.09923%0.225SC*.  0127.10-79.3175.7-108.600107.5N3M1-N3 PolarHBondContact O-N 3.19Å
2M60.1Low89Confident151 Ų15144.9 Ų44.974%0.74424%0.243SC*.  trans-86.899.7178.3-79.5-166.8-179.300108K4M2-K4 PolarHBondContact O-N 3.44Å
3N87.4Confident89.6Confident32 Ų3244.2 Ų44.217%0.17124%0.241CC..  trans-66.877.1176.9-65.7-2.3000110.7M1 N28 N29 D71 L244M1-N3 PolarHBondContact O-N 3.19Å; N3-N28 PolarHBondContact O-N 3.1Å; N3-N29 PolarHBondContact O-N 3.17Å; N3-D71 WeakPolarHBondContact CA-OD2 3.33Å; N3-L244 HydrophobicContact CB-CD1 4.31Å
4K95.8Very high90.2Very high7 Ų741.1 Ų41.13%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-92.2119.8-175-174.3-179-170.9-179.70110M2 N29 Y60 D66 D69 A70 D71 L72M2-K4 PolarHBondContact O-N 3.44Å; K4-N29 CarbonylContact C-O 3.33Å; K4-N29 VanDerWaalsContact CA-O 3.32Å; K4-N29 WeakPolarHBondContact CA-O 3.38Å; K4-N29 HydrophobicContact CB-CB 4.35Å; K4-N29 HydrophobicContact CG-CB 4.35Å; K4-Y60 WeakPolarHBondContact CE-OH 3.31Å; K4-D66 WeakPolarHBondContact CE-O 3.42Å; K4-D66 PolarHBondContact NZ-O 3.26Å; K4-D69 WeakPolarHBondContact CD-OD2 3.43Å; K4-D69 IonicContact NZ-OD1 2.84Å; K4-D69 PolarHBondContact NZ-OD1 3.28Å; K4-D69 IonicContact NZ-OD2 2.59Å; K4-D69 PolarHBondContact NZ-OD2 3.06Å; K4-A70 HydrophobicContact CD-CB 4.44Å; K4-A70 HydrophobicContact CG-CB 4.39Å; K4-D71 PolarHBondContact N-OD2 3.47Å; K4-D71 PolarHBondContact O-N 3.42Å; K4-L72 PolarHBondContact O-N 2.78Å
5I97.8Very high90.7Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-112.5133.5177.4-55.4163.3000107.3V7 Y17 L21 N29 V30 G31 L72 V74 T240 L244I5-V7 HydrophobicContact CG2-CG2 4.23Å; I5-Y17 HydrophobicContact CG2-CE1 4.45Å; I5-L21 HydrophobicContact CD1-CD1 3.7Å; I5-L21 HydrophobicContact CD1-CD2 4.1Å; I5-L21 HydrophobicContact CG2-CD1 4.4Å; I5-N29 PolarHBondContact N-O 2.72Å; I5-V30 CarbonylContact O-C 3.59Å; I5-V30 VanDerWaalsContact O-CA 3.3Å; I5-V30 WeakPolarHBondContact O-CA 3.13Å; I5-G31 PolarHBondContact O-N 3.07Å; I5-L72 WeakPolarHBondContact CA-O 3.49Å; I5-V74 HydrophobicContact CG2-CG2 4.07Å; I5-T240 HydrophobicContact CD1-CG2 3.8Å; I5-T240 HydrophobicContact CG1-CG2 4.47Å; I5-L244 HydrophobicContact CD1-CD1 3.71Å; I5-L244 HydrophobicContact CG1-CD1 3.91Å
6V98.3Very high91.2Very high0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-116.9119.9168.8175.10000108.9I8 G31 I33 A70 L72 I73 V74V6-I8 HydrophobicContact CG1-CG1 4.23Å; V6-G31 CarbonylContact C-O 3.3Å; V6-G31 WeakPolarHBondContact CA-O 3.34Å; V6-I33 HydrophobicContact CG1-CD1 3.65Å; V6-I33 HydrophobicContact CG1-CG1 3.94Å; V6-A70 HydrophobicContact CG2-CB 3.94Å; V6-L72 PolarHBondContact N-O 2.89Å; V6-I73 HydrophobicContact CB-CD1 3.63Å; V6-I73 HydrophobicContact CG1-CD1 4.1Å; V6-I73 HydrophobicContact CG2-CD1 4.3Å; V6-I73 WeakPolarHBondContact O-CA 3.29Å; V6-V74 PolarHBondContact O-N 3.29Å
7V98.5Very high91.6Very high0 Ų036.2 Ų36.20%020%0.2CC..EExtended strand (participates in β ladder)trans-95.9121.2178.5-169.60000108.4I5 Y17 V30 G31 I32 I33 T76I5-V7 HydrophobicContact CG2-CG2 4.23Å; V7-Y17 HydrophobicContact CG1-CD1 4.08Å; V7-Y17 HydrophobicContact CG1-CE1 4.49Å; V7-Y17 HydrophobicContact CG2-CD1 3.92Å; V7-Y17 HydrophobicContact CG2-CE1 3.71Å; V7-V30 HydrophobicContact CG2-CG1 4.01Å; V7-G31 PolarHBondContact N-O 2.59Å; V7-I32 WeakPolarHBondContact O-CA 3.35Å; V7-I33 PolarHBondContact O-N 3.07Å; V7-T76 HydrophobicContact CG1-CG2 4.37Å
8I98.5Very high91.9Very high4 Ų434.2 Ų34.22%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-108.9113.3177.3-48.2-178.1000108.5V6 I33 Y64 I73 V74 T76 A77 I101 V105V6-I8 HydrophobicContact CG1-CG1 4.23Å; I8-I33 WeakPolarHBondContact CA-O 3.39Å; I8-I33 HydrophobicContact CG1-CB 4.41Å; I8-I33 HydrophobicContact CG1-CD1 4.35Å; I8-I33 HydrophobicContact CG2-CB 4.41Å; I8-I33 HydrophobicContact CG2-CG2 4.5Å; I8-Y64 HydrophobicContact CD1-CE1 4.16Å; I8-I73 HydrophobicContact CD1-CG2 3.73Å; I8-I73 HydrophobicContact CG1-CG2 4.26Å; I8-V74 PolarHBondContact N-O 3.45Å; I8-T76 PolarHBondContact O-N 2.86Å; I8-A77 PolarHBondContact O-N 2.68Å; I8-I101 HydrophobicContact CB-CG2 4.36Å; I8-I101 HydrophobicContact CD1-CG2 3.59Å; I8-I101 HydrophobicContact CG2-CD1 3.95Å; I8-I101 HydrophobicContact CG2-CG1 4.13Å; I8-I101 HydrophobicContact CG2-CG2 3.82Å; I8-V105 HydrophobicContact CD1-CG2 3.5Å; I8-V105 VanDerWaalsContact CD1-CG2 3.5Å
9G97.5Very high92.2Very high2 Ų239.1 Ų39.12%0.02121%0.209CC..  trans103.5117.8-166.800000110.8G14 I33 D34 T76G9-G14 WeakPolarHBondContact O-CA 3.29Å; G9-I33 PolarHBondContact N-O 3.22Å; G9-D34 WeakPolarHBondContact CA-OD2 3.25Å; G9-T76 PolarHBondContact O-OG1 3.05Å
10N97.4Very high92.5Very high1 Ų137.5 Ų37.51%0.00520%0.201CC..  trans-117.834.5178.2-167.938.8000111.1I32 D34 K39 V40 D43N10-I32 HydrophobicContact CB-CG2 3.77Å; N10-D34 HydrophobicContact CB-CB 3.71Å; N10-D34 PolarHBondContact N-OD2 3.48Å; N10-K39 VanDerWaalsContact O-CE 3.25Å; N10-K39 WeakPolarHBondContact O-CE 3.34Å; N10-K39 PolarHBondContact O-NZ 2.91Å; N10-V40 HydrophobicContact CB-CG2 3.87Å; N10-V40 WeakPolarHBondContact ND2-CA 3.34Å; N10-D43 PolarHBondContact ND2-OD2 3.09Å; N10-D43 PolarHBondContact OD1-OD2 3.3Å
11G95.4Very high92.6Very high37 Ų3735.7 Ų35.738%0.38119%0.192SC..SBendtrans-71.5-169164.700000111.9V13 G14 S15G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.9Å; G11-G14 PolarHBondContact O-N 3.1Å; G11-G14 VanDerWaalsContact O-N 3.11Å; G11-S15 PolarHBondContact O-N 2.92Å
12D95.6Very high94.9Very high82 Ų8225.4 Ų25.444%0.43914%0.141SC..Hα-helixtrans-52.1-42.8-178.4-64.8-13.7000113.1S16 S227 H229D12-S16 WeakPolarHBondContact O-CB 3.35Å; D12-S16 PolarHBondContact O-N 2.8Å; D12-S16 PolarHBondContact O-OG 3.49Å; D12-S227 VanDerWaalsContact OD2-CB 3.29Å; D12-S227 WeakPolarHBondContact OD2-CB 3.13Å; D12-S227 PolarHBondContact OD2-OG 2.8Å; D12-H229 HydrophobicContact CB-CB 3.73Å
13V97.1Very high96.5Very high36 Ų3621.1 Ų21.122%0.21813%0.129CC..Hα-helixtrans-66.1-48.7178.8177.50000111.3G11 S16 Y17 T76 H229 I232 L236G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.9Å; V13-S16 PolarHBondContact O-N 3.35Å; V13-Y17 WeakPolarHBondContact O-CB 3.35Å; V13-Y17 PolarHBondContact O-N 3.19Å; V13-T76 HydrophobicContact CG1-CG2 4.04Å; V13-H229 HydrophobicContact CG2-CB 4.08Å; V13-I232 HydrophobicContact CG1-CG1 4.41Å; V13-I232 HydrophobicContact CG1-CG2 4.02Å; V13-I232 HydrophobicContact CG2-CG2 4Å; V13-L236 HydrophobicContact CG1-CD1 4.16Å
14G97.8Very high96.7Very high0 Ų023.8 Ų23.80%014%0.141CC..Hα-helixtrans-65.7-44.3-178.300000113.2G9 G11 Y17 T18G9-G14 WeakPolarHBondContact O-CA 3.29Å; G11-G14 PolarHBondContact O-N 3.1Å; G11-G14 VanDerWaalsContact O-N 3.11Å; G14-Y17 PolarHBondContact O-N 3.39Å; G14-T18 WeakPolarHBondContact O-CB 3.21Å; G14-T18 PolarHBondContact O-N 3.05Å; G14-T18 PolarHBondContact O-OG1 3.39Å
15S97.6Very high96.5Very high26 Ų2625.4 Ų25.418%0.18216%0.159CC..Hα-helixtrans-64.9-45.7175.4174.10000110.8G11 Y17 T18 F19 D43G11-S15 PolarHBondContact O-N 2.92Å; S15-Y17 PolarHBondContact O-N 2.9Å; S15-T18 PolarHBondContact O-N 3.18Å; S15-F19 PolarHBondContact O-N 3.42Å; S15-D43 PolarHBondContact OG-OD1 2.87Å; S15-D43 VanDerWaalsContact OG-OD1 3.06Å
16S98.2Very high96.2Very high14 Ų1425.9 Ų25.910%0.09816%0.162CC..Hα-helixtrans-64.6-38176.8-60.50000113.1D12 V13 F19 A20 H229 A233D12-S16 WeakPolarHBondContact O-CB 3.35Å; D12-S16 PolarHBondContact O-N 2.8Å; D12-S16 PolarHBondContact O-OG 3.49Å; V13-S16 PolarHBondContact O-N 3.35Å; S16-F19 PolarHBondContact O-N 2.93Å; S16-A20 WeakPolarHBondContact O-CB 3.22Å; S16-A20 PolarHBondContact O-N 2.94Å; S16-H229 PolarHBondContact OG-ND1 3.28Å; S16-A233 VanDerWaalsContact C-CB 3.42Å
17Y98.4Very high95.8Very high0 Ų026.1 Ų26.10%017%0.165CC..Hα-helixtrans-63.9-45.4175.4167.2-116.5000110.6I5 V7 V13 G14 S15 F19 A20 L21 V74 L236 T240I5-Y17 HydrophobicContact CG2-CE1 4.45Å; V7-Y17 HydrophobicContact CG1-CD1 4.08Å; V7-Y17 HydrophobicContact CG1-CE1 4.49Å; V7-Y17 HydrophobicContact CG2-CD1 3.92Å; V7-Y17 HydrophobicContact CG2-CE1 3.71Å; V13-Y17 WeakPolarHBondContact O-CB 3.35Å; V13-Y17 PolarHBondContact O-N 3.19Å; G14-Y17 PolarHBondContact O-N 3.39Å; S15-Y17 PolarHBondContact O-N 2.9Å; Y17-F19 PolarHBondContact O-N 3.26Å; Y17-A20 WeakPolarHBondContact O-CB 3.49Å; Y17-A20 PolarHBondContact O-N 3.25Å; Y17-A20 VanDerWaalsContact O-N 3.14Å; Y17-L21 HydrophobicContact CD1-CD1 4.37Å; Y17-L21 HydrophobicContact CD2-CG 4.26Å; Y17-L21 HydrophobicContact CE1-CD1 3.73Å; Y17-L21 HydrophobicContact CE1-CG 4.31Å; Y17-L21 HydrophobicContact CE2-CD1 4.06Å; Y17-L21 HydrophobicContact CE2-CD2 3.71Å; Y17-L21 HydrophobicContact CE2-CG 3.75Å; Y17-L21 WeakPolarHBondContact O-CG 3.38Å; Y17-L21 PolarHBondContact O-N 2.95Å; Y17-V74 HydrophobicContact CD1-CG1 4.31Å; Y17-V74 HydrophobicContact CE1-CB 3.92Å; Y17-V74 HydrophobicContact CE1-CG1 3.91Å; Y17-V74 HydrophobicContact CE1-CG2 3.78Å; Y17-V74 WeakPolarHBondContact OH-CG2 3.33Å; Y17-L236 HydrophobicContact CD2-CB 3.45Å; Y17-L236 VanDerWaalsContact CD2-CB 3.45Å; Y17-L236 HydrophobicContact CD2-CD1 4.3Å; Y17-L236 HydrophobicContact CE2-CB 3.67Å; Y17-L236 HydrophobicContact CG-CB 4.27Å; Y17-L236 HydrophobicContact CG-CD1 4.32Å; Y17-T240 WeakPolarHBondContact OH-CG2 3.43Å; Y17-T240 PolarHBondContact OH-OG1 3.31Å
18T97.6Very high95.3Very high0 Ų030.1 Ų30.10%019%0.186CC..Hα-helixtrans-60.4-47.1175.6-52.30000110.5G14 S15 A20 L21 M22 V30 I32 L47G14-T18 WeakPolarHBondContact O-CB 3.21Å; G14-T18 PolarHBondContact O-N 3.05Å; G14-T18 PolarHBondContact O-OG1 3.39Å; S15-T18 PolarHBondContact O-N 3.18Å; T18-A20 VanDerWaalsContact C-N 3.32Å; T18-A20 PolarHBondContact O-N 3.09Å; T18-L21 WeakPolarHBondContact O-CB 3.39Å; T18-L21 PolarHBondContact O-N 3.3Å; T18-M22 VanDerWaalsContact O-CG 3.28Å; T18-M22 WeakPolarHBondContact O-CG 3.22Å; T18-M22 PolarHBondContact O-N 3.37Å; T18-M22 VanDerWaalsContact O-N 3.08Å; T18-V30 HydrophobicContact CG2-CG1 4.1Å; T18-I32 HydrophobicContact CG2-CD1 4Å; T18-L47 HydrophobicContact CG2-CD1 3.4Å; T18-L47 VanDerWaalsContact CG2-CD1 3.4Å
19F97.2Very high95.2Very high127 Ų12730.7 Ų30.756%0.55719%0.189SC*.Hα-helixtrans-56.8-42.6173.2178.7-101.1000112.7S15 S16 Y17 M22 A23 L47S15-F19 PolarHBondContact O-N 3.42Å; S16-F19 PolarHBondContact O-N 2.93Å; Y17-F19 PolarHBondContact O-N 3.26Å; F19-M22 WeakPolarHBondContact O-CB 3.41Å; F19-M22 PolarHBondContact O-N 2.77Å; F19-A23 HydrophobicContact CE1-CB 4.49Å; F19-A23 WeakPolarHBondContact O-CB 3.2Å; F19-A23 PolarHBondContact O-N 2.82Å; F19-L47 HydrophobicContact CB-CD2 4.05Å; F19-L47 HydrophobicContact CD2-CD2 4.14Å
20A97.3Very high95.2Very high7 Ų730.6 Ų30.66%0.05819%0.188CC..Hα-helixtrans-64.7-39.717800000112.7S16 Y17 T18 M22 Q24 A233 A237S16-A20 WeakPolarHBondContact O-CB 3.22Å; S16-A20 PolarHBondContact O-N 2.94Å; Y17-A20 WeakPolarHBondContact O-CB 3.49Å; Y17-A20 PolarHBondContact O-N 3.25Å; Y17-A20 VanDerWaalsContact O-N 3.14Å; T18-A20 VanDerWaalsContact C-N 3.32Å; T18-A20 PolarHBondContact O-N 3.09Å; A20-M22 VanDerWaalsContact C-N 3.32Å; A20-M22 PolarHBondContact O-N 3.01Å; A20-Q24 VanDerWaalsContact O-CB 3.29Å; A20-Q24 WeakPolarHBondContact O-CB 3.21Å; A20-Q24 VanDerWaalsContact O-CG 3.3Å; A20-Q24 WeakPolarHBondContact O-CG 3.32Å; A20-Q24 PolarHBondContact O-N 2.88Å; A20-A233 HydrophobicContact CB-CB 4.39Å; A20-A237 HydrophobicContact CB-CB 4.01Å
21L96.2Very high95.2Very high0 Ų030.5 Ų30.50%019%0.188CC..Hα-helixtrans-58.5-45.7172.2-69176.9000111.2I5 Y17 T18 G25 V26 V30 A237 T240I5-L21 HydrophobicContact CD1-CD1 3.7Å; I5-L21 HydrophobicContact CD1-CD2 4.1Å; I5-L21 HydrophobicContact CG2-CD1 4.4Å; Y17-L21 HydrophobicContact CD1-CD1 4.37Å; Y17-L21 HydrophobicContact CD2-CG 4.26Å; Y17-L21 HydrophobicContact CE1-CD1 3.73Å; Y17-L21 HydrophobicContact CE1-CG 4.31Å; Y17-L21 HydrophobicContact CE2-CD1 4.06Å; Y17-L21 HydrophobicContact CE2-CD2 3.71Å; Y17-L21 HydrophobicContact CE2-CG 3.75Å; Y17-L21 WeakPolarHBondContact O-CG 3.38Å; Y17-L21 PolarHBondContact O-N 2.95Å; T18-L21 WeakPolarHBondContact O-CB 3.39Å; T18-L21 PolarHBondContact O-N 3.3Å; L21-G25 CarbonylContact O-C 3.45Å; L21-G25 PolarHBondContact O-N 3.37Å; L21-V26 HydrophobicContact CD2-CB 3.78Å; L21-V26 HydrophobicContact CD2-CG1 3.72Å; L21-V26 PolarHBondContact O-N 3.35Å; L21-V30 HydrophobicContact CD1-CG2 4.31Å; L21-A237 HydrophobicContact CD2-CB 4.4Å; L21-T240 HydrophobicContact CD2-CG2 3.86Å
22M93.4Very high95.3Very high8 Ų828.8 Ų28.84%0.03917%0.17CC..Hα-helixtrans-61.4-54.1178.6-62.8-53.6-64.100111.3T18 F19 A20 Q24 G25 L47 L51 V54 K57 I59T18-M22 VanDerWaalsContact O-CG 3.28Å; T18-M22 WeakPolarHBondContact O-CG 3.22Å; T18-M22 PolarHBondContact O-N 3.37Å; T18-M22 VanDerWaalsContact O-N 3.08Å; F19-M22 WeakPolarHBondContact O-CB 3.41Å; F19-M22 PolarHBondContact O-N 2.77Å; A20-M22 VanDerWaalsContact C-N 3.32Å; A20-M22 PolarHBondContact O-N 3.01Å; M22-Q24 VanDerWaalsContact C-N 3.29Å; M22-Q24 PolarHBondContact O-N 3.3Å; M22-G25 PolarHBondContact O-N 3.2Å; M22-G25 VanDerWaalsContact O-N 3.16Å; M22-L47 HydrophobicContact CG-CD2 4.12Å; M22-L51 HydrophobicContact CE-CD2 3.35Å; M22-L51 HydrophobicContact CE-CG 4.47Å; M22-V54 HydrophobicContact CE-CG2 3.92Å; M22-K57 HydrophobicContact CE-CB 4.03Å; M22-K57 HydrophobicContact CE-CD 3.63Å; M22-K57 HydrophobicContact CE-CG 4.27Å; M22-K57 HydrophobicContact SD-CB 4.33Å; M22-K57 HydrophobicContact SD-CD 3.55Å; M22-K57 VanDerWaalsContact SD-CD 3.55Å; M22-I59 HydrophobicContact CE-CD1 3.42Å; M22-I59 VanDerWaalsContact CE-CD1 3.42Å; M22-I59 HydrophobicContact CE-CG1 4.18Å; M22-I59 HydrophobicContact CG-CD1 4.06Å; M22-I59 HydrophobicContact SD-CD1 3.37Å; M22-I59 WeakPolarHBondContact SD-CD1 3.22Å; M22-I59 HydrophobicContact SD-CG1 3.88Å
23A93.2Very high95.5Very high60 Ų6025.4 Ų25.450%0.49615%0.152SC..Hα-helixtrans-63.6-32.2-176.900000113.1F19F19-A23 HydrophobicContact CE1-CB 4.49Å; F19-A23 WeakPolarHBondContact O-CB 3.2Å; F19-A23 PolarHBondContact O-N 2.82Å
24Q93.1Very high95.5Very high88 Ų8826.4 Ų26.441%0.41116%0.156SC..THydrogen-bonded Turntrans-93.81.3179.1-62.318033.900113.5A20 M22 V26A20-Q24 VanDerWaalsContact O-CB 3.29Å; A20-Q24 WeakPolarHBondContact O-CB 3.21Å; A20-Q24 VanDerWaalsContact O-CG 3.3Å; A20-Q24 WeakPolarHBondContact O-CG 3.32Å; A20-Q24 PolarHBondContact O-N 2.88Å; M22-Q24 VanDerWaalsContact C-N 3.29Å; M22-Q24 PolarHBondContact O-N 3.3Å; Q24-V26 VanDerWaalsContact C-N 3.3Å; Q24-V26 HydrophobicContact CB-CG2 4Å; Q24-V26 PolarHBondContact O-N 3.43Å
25G91.2Very high95.3Very high41 Ų4134.7 Ų34.742%0.42320%0.199SC..THydrogen-bonded Turntrans70.319179.500000114.9L21 M22 K57L21-G25 CarbonylContact O-C 3.45Å; L21-G25 PolarHBondContact O-N 3.37Å; M22-G25 PolarHBondContact O-N 3.2Å; M22-G25 VanDerWaalsContact O-N 3.16Å; G25-K57 PolarHBondContact O-NZ 3.38Å
26V91.6Very high95.2Very high10 Ų1037.2 Ų37.26%0.06121%0.211CC..  trans-88.8127-174.9-177.30000111.3L21 Q24 T240 K241 L244L21-V26 HydrophobicContact CD2-CB 3.78Å; L21-V26 HydrophobicContact CD2-CG1 3.72Å; L21-V26 PolarHBondContact O-N 3.35Å; Q24-V26 VanDerWaalsContact C-N 3.3Å; Q24-V26 HydrophobicContact CB-CG2 4Å; Q24-V26 PolarHBondContact O-N 3.43Å; V26-T240 HydrophobicContact CG1-CG2 3.87Å; V26-K241 HydrophobicContact CG1-CB 4.14Å; V26-K241 HydrophobicContact CG2-CB 3.98Å; V26-K241 HydrophobicContact CG2-CD 4.23Å; V26-K241 HydrophobicContact CG2-CG 4.17Å; V26-L244 HydrophobicContact CG1-CD1 4.32Å
27G88.3Confident95.1Very high5 Ų540.6 Ų40.65%0.05224%0.235CC..  trans75.9155.3-179.400000113.6K57G27-K57 WeakPolarHBondContact O-CD 3.16Å; G27-K57 PolarHBondContact O-NZ 2.81Å
28N89.5Confident95Very high84 Ų8448.4 Ų48.445%0.44927%0.271SS..SBendtrans-120.9-15.4-175.5-66.9-17.7000113.5N3 K57 R58N3-N28 PolarHBondContact O-N 3.1Å; N28-K57 WeakPolarHBondContact O-CA 3Å; N28-R58 PolarHBondContact O-N 3.27Å
29N95.3Very high95Very high16 Ų1651.8 Ų51.89%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-139.7108.5-177.6-168.38.9000108.7N3 K4 I5 R58 Y60N3-N29 PolarHBondContact O-N 3.17Å; K4-N29 CarbonylContact C-O 3.33Å; K4-N29 VanDerWaalsContact CA-O 3.32Å; K4-N29 WeakPolarHBondContact CA-O 3.38Å; K4-N29 HydrophobicContact CB-CB 4.35Å; K4-N29 HydrophobicContact CG-CB 4.35Å; I5-N29 PolarHBondContact N-O 2.72Å; N29-R58 CarbonylContact C-O 3.43Å; N29-R58 WeakPolarHBondContact CA-O 3.39Å; N29-Y60 WeakPolarHBondContact OD1-CE1 3.04Å
30V97.2Very high95.1Very high0 Ų045.9 Ų45.90%026%0.26CS..EExtended strand (participates in β ladder)trans-119.6111.3-174.4-172.30000109.9I5 V7 T18 L21 R58 I59 Y60I5-V30 CarbonylContact O-C 3.59Å; I5-V30 VanDerWaalsContact O-CA 3.3Å; I5-V30 WeakPolarHBondContact O-CA 3.13Å; V7-V30 HydrophobicContact CG2-CG1 4.01Å; T18-V30 HydrophobicContact CG2-CG1 4.1Å; L21-V30 HydrophobicContact CD1-CG2 4.31Å; V30-R58 PolarHBondContact N-O 3.46Å; V30-I59 WeakPolarHBondContact O-CA 3.31Å; V30-Y60 WeakPolarHBondContact O-CD1 3.23Å; V30-Y60 WeakPolarHBondContact O-CE1 3.36Å; V30-Y60 PolarHBondContact O-N 3.38Å
31G97.8Very high95.1Very high0 Ų047.3 Ų47.30%027%0.272CS..EExtended strand (participates in β ladder)trans-93.3138.6170.500000110.6I5 V6 V7I5-G31 PolarHBondContact O-N 3.07Å; V6-G31 CarbonylContact C-O 3.3Å; V6-G31 WeakPolarHBondContact CA-O 3.34Å; V7-G31 PolarHBondContact N-O 2.59Å
32I98.5Very high95.2Very high1 Ų149.1 Ų49.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-119.1125.3178.3-51.5175.4000109.1V7 N10 T18 V40 V44 L47 I59 Y60 A62V7-I32 WeakPolarHBondContact O-CA 3.35Å; N10-I32 HydrophobicContact CB-CG2 3.77Å; T18-I32 HydrophobicContact CG2-CD1 4Å; I32-V40 HydrophobicContact CB-CG1 3.86Å; I32-V40 HydrophobicContact CG2-CG1 3.91Å; I32-V40 HydrophobicContact CG2-CG2 4.04Å; I32-V44 HydrophobicContact CD1-CG2 4.02Å; I32-L47 HydrophobicContact CD1-CD1 4.38Å; I32-I59 HydrophobicContact CD1-CG2 4.12Å; I32-Y60 PolarHBondContact N-O 2.94Å; I32-A62 PolarHBondContact O-N 3.41Å
33I98.3Very high95.4Very high10 Ų1049.9 Ų49.95%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-116.3124.6176.9-53.4-179.6000108.4V6 V7 I8 G9 A62 Y64V6-I33 HydrophobicContact CG1-CD1 3.65Å; V6-I33 HydrophobicContact CG1-CG1 3.94Å; V7-I33 PolarHBondContact O-N 3.07Å; I8-I33 WeakPolarHBondContact CA-O 3.39Å; I8-I33 HydrophobicContact CG1-CB 4.41Å; I8-I33 HydrophobicContact CG1-CD1 4.35Å; I8-I33 HydrophobicContact CG2-CB 4.41Å; I8-I33 HydrophobicContact CG2-CG2 4.5Å; G9-I33 PolarHBondContact N-O 3.22Å; I33-A62 HydrophobicContact CD1-CB 4.49Å; I33-A62 HydrophobicContact CG1-CB 3.83Å; I33-Y64 HydrophobicContact CD1-CD1 4.15Å; I33-Y64 HydrophobicContact CD1-CE1 4.48Å; I33-Y64 HydrophobicContact CD1-CG 4.41Å; I33-Y64 HydrophobicContact CG2-CE2 4.29Å
34D97.5Very high95.6Very high57 Ų5747.9 Ų47.931%0.30528%0.276SS..  trans-148.4162.9168-160.8-79.9000109.5G9 N10 D36 V40G9-D34 WeakPolarHBondContact CA-OD2 3.25Å; N10-D34 HydrophobicContact CB-CB 3.71Å; N10-D34 PolarHBondContact N-OD2 3.48Å; D34-D36 VanDerWaalsContact C-N 3.27Å; D34-D36 PolarHBondContact OD1-N 3.03Å; D34-V40 HydrophobicContact CB-CG2 3.52Å
35L95Very high95.8Very high174 Ų17450.6 Ų50.691%0.91129%0.287SS*.SBendtrans-67.8-31172.4-63.9175.7000111.4S37L35-S37 PolarHBondContact O-N 3Å
36D95.5Very high96.1Very high79 Ų7954.2 Ų54.242%0.42230%0.296SS..  trans-86.482.9174.8-169.3-17.5000111.2D34 Q38 K39 V40D34-D36 VanDerWaalsContact C-N 3.27Å; D34-D36 PolarHBondContact OD1-N 3.03Å; D36-Q38 PolarHBondContact O-N 2.89Å; D36-Q38 PolarHBondContact OD1-N 3.06Å; D36-K39 HydrophobicContact CB-CB 4Å; D36-K39 VanDerWaalsContact CG-CB 3.42Å; D36-K39 PolarHBondContact O-N 2.96Å; D36-K39 PolarHBondContact OD1-N 3.38Å; D36-K39 WeakPolarHBondContact OD2-CB 3.33Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 3.4Å
37S95.2Very high96.3Very high86 Ų8654.6 Ų54.660%0.60130%0.298SS*.Hα-helixtrans-63.4-26.5-18062.50000113.6L35 A41L35-S37 PolarHBondContact O-N 3Å; S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.38Å
38Q97.1Very high96.6Very high163 Ų16357.1 Ų57.176%0.76231%0.312SS*.Hα-helixtrans-71.2-45.6176.3-67.1-17014.800110.7D36 V40 A41 G42D36-Q38 PolarHBondContact O-N 2.89Å; D36-Q38 PolarHBondContact OD1-N 3.06Å; Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 3.47Å; Q38-A41 PolarHBondContact O-N 3.33Å; Q38-G42 PolarHBondContact O-N 3.35Å
39K97.3Very high96.8Very high72 Ų7259.3 Ų59.331%0.31332%0.324SS..Hα-helixtrans-59.7-45.3174.3-173.9-177.1-173.4-60.90111.1N10 D36 A41 G42 D43N10-K39 VanDerWaalsContact O-CE 3.25Å; N10-K39 WeakPolarHBondContact O-CE 3.34Å; N10-K39 PolarHBondContact O-NZ 2.91Å; D36-K39 HydrophobicContact CB-CB 4Å; D36-K39 VanDerWaalsContact CG-CB 3.42Å; D36-K39 PolarHBondContact O-N 2.96Å; D36-K39 PolarHBondContact OD1-N 3.38Å; D36-K39 WeakPolarHBondContact OD2-CB 3.33Å; K39-A41 PolarHBondContact O-N 3.2Å; K39-G42 PolarHBondContact O-N 3.35Å; K39-G42 VanDerWaalsContact O-N 3.15Å; K39-D43 IonicContact NZ-OD2 3.92Å; K39-D43 PolarHBondContact NZ-OD2 3.09Å; K39-D43 PolarHBondContact O-N 3.08Å
40V98.2Very high96.7Very high3 Ų360 Ų602%0.01834%0.336CS..Hα-helixtrans-58-47.8175.7177.20000111.1N10 I32 D34 D36 Q38 G42 D43 V44N10-V40 HydrophobicContact CB-CG2 3.87Å; N10-V40 WeakPolarHBondContact ND2-CA 3.34Å; I32-V40 HydrophobicContact CB-CG1 3.86Å; I32-V40 HydrophobicContact CG2-CG1 3.91Å; I32-V40 HydrophobicContact CG2-CG2 4.04Å; D34-V40 HydrophobicContact CB-CG2 3.52Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 3.4Å; Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 3.47Å; V40-G42 VanDerWaalsContact C-N 3.26Å; V40-G42 PolarHBondContact O-N 3.4Å; V40-D43 PolarHBondContact O-N 2.85Å; V40-V44 HydrophobicContact CG1-CG2 4.09Å; V40-V44 WeakPolarHBondContact O-CB 3.33Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 3.2Å
41A97.9Very high96.4Very high37 Ų3761.9 Ų61.931%0.30635%0.345SS..Hα-helixtrans-61.2-35.5177.600000112.7S37 Q38 K39 K45S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.38Å; Q38-A41 PolarHBondContact O-N 3.33Å; K39-A41 PolarHBondContact O-N 3.2Å; A41-K45 VanDerWaalsContact O-CG 3.3Å; A41-K45 WeakPolarHBondContact O-CG 3.3Å; A41-K45 PolarHBondContact O-N 2.9Å; A41-K45 VanDerWaalsContact O-N 3.17Å
42G98.1Very high96.1Very high38 Ų3866.2 Ų66.239%0.39238%0.381SS..Hα-helixtrans-63.6-55.9173.200000112.5Q38 K39 V40 V44 K45 D46Q38-G42 PolarHBondContact O-N 3.35Å; K39-G42 PolarHBondContact O-N 3.35Å; K39-G42 VanDerWaalsContact O-N 3.15Å; V40-G42 VanDerWaalsContact C-N 3.26Å; V40-G42 PolarHBondContact O-N 3.4Å; G42-V44 VanDerWaalsContact C-N 3.33Å; G42-V44 PolarHBondContact O-N 3.03Å; G42-K45 WeakPolarHBondContact O-CB 3.38Å; G42-K45 PolarHBondContact O-N 3.48Å; G42-K45 VanDerWaalsContact O-N 3.14Å; G42-D46 PolarHBondContact O-N 3.48Å
43D97.7Very high95.8Very high24 Ų2476.4 Ų76.413%0.12842%0.421CS..Hα-helixtrans-60.6-41179.4-79.9-54.9000111.8N10 S15 K39 V40 K45 D46 L47N10-D43 PolarHBondContact ND2-OD2 3.09Å; N10-D43 PolarHBondContact OD1-OD2 3.3Å; S15-D43 PolarHBondContact OG-OD1 2.87Å; S15-D43 VanDerWaalsContact OG-OD1 3.06Å; K39-D43 IonicContact NZ-OD2 3.92Å; K39-D43 PolarHBondContact NZ-OD2 3.09Å; K39-D43 PolarHBondContact O-N 3.08Å; V40-D43 PolarHBondContact O-N 2.85Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.5Å; D43-D46 PolarHBondContact O-N 2.93Å; D43-L47 WeakPolarHBondContact O-CB 3.49Å; D43-L47 WeakPolarHBondContact O-CD1 3.44Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.16Å
44V97.7Very high95.5Very high17 Ų1778.6 Ų78.610%0.10344%0.435CS..Hα-helixtrans-59.1-45175.5168.70000110.7I32 V40 G42 T48 I59I32-V44 HydrophobicContact CD1-CG2 4.02Å; V40-V44 HydrophobicContact CG1-CG2 4.09Å; V40-V44 WeakPolarHBondContact O-CB 3.33Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 3.2Å; G42-V44 VanDerWaalsContact C-N 3.33Å; G42-V44 PolarHBondContact O-N 3.03Å; V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.47Å; V44-T48 PolarHBondContact O-OG1 2.85Å; V44-I59 HydrophobicContact CG2-CG2 4.24Å
45K97.3Very high94.8Very high146 Ų14677.2 Ų77.264%0.63543%0.434SS*.Hα-helixtrans-62.6-48.4176.7-77.3172.3-178.6-71.90110.8A41 G42 D43 T48 N49A41-K45 VanDerWaalsContact O-CG 3.3Å; A41-K45 WeakPolarHBondContact O-CG 3.3Å; A41-K45 PolarHBondContact O-N 2.9Å; A41-K45 VanDerWaalsContact O-N 3.17Å; G42-K45 WeakPolarHBondContact O-CB 3.38Å; G42-K45 PolarHBondContact O-N 3.48Å; G42-K45 VanDerWaalsContact O-N 3.14Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.5Å; K45-T48 PolarHBondContact O-N 2.89Å; K45-N49 PolarHBondContact O-N 3.03Å; K45-N49 VanDerWaalsContact O-N 3.13Å; K45-N49 PolarHBondContact O-ND2 2.92Å
46D96.7Very high94.5Very high117 Ų11774.8 Ų74.863%0.62643%0.429SS*.Hα-helixtrans-60.2-50.8-178.3-166.217.5000111.6G42 D43 T48 N49G42-D46 PolarHBondContact O-N 3.48Å; D43-D46 PolarHBondContact O-N 2.93Å; D46-T48 VanDerWaalsContact C-N 3.3Å; D46-T48 PolarHBondContact O-N 3.41Å; D46-N49 WeakPolarHBondContact O-CB 3.33Å; D46-N49 PolarHBondContact O-N 2.84Å; D46-N49 VanDerWaalsContact O-N 3.08Å
47L95.6Very high94.3Very high17 Ų1772.2 Ų72.29%0.08941%0.414CS..Hα-helixtrans-60.9-37.1176.4-67.6164.1000112.7T18 F19 M22 I32 D43 N49 G50 I59T18-L47 HydrophobicContact CG2-CD1 3.4Å; T18-L47 VanDerWaalsContact CG2-CD1 3.4Å; F19-L47 HydrophobicContact CB-CD2 4.05Å; F19-L47 HydrophobicContact CD2-CD2 4.14Å; M22-L47 HydrophobicContact CG-CD2 4.12Å; I32-L47 HydrophobicContact CD1-CD1 4.38Å; D43-L47 WeakPolarHBondContact O-CB 3.49Å; D43-L47 WeakPolarHBondContact O-CD1 3.44Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.16Å; L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.3Å; L47-G50 PolarHBondContact O-N 2.88Å; L47-I59 HydrophobicContact CB-CD1 3.55Å; L47-I59 HydrophobicContact CD1-CG2 4.42Å
48T94.6Very high94.2Very high58 Ų5875.5 Ų75.536%0.35641%0.413SS..Hα-helixtrans-65.2-31.1177.7-62.30000111.9V44 K45 D46 G50 L51V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.47Å; V44-T48 PolarHBondContact O-OG1 2.85Å; K45-T48 PolarHBondContact O-N 2.89Å; D46-T48 VanDerWaalsContact C-N 3.3Å; D46-T48 PolarHBondContact O-N 3.41Å; T48-G50 PolarHBondContact O-N 2.87Å; T48-L51 HydrophobicContact CG2-CD1 3.81Å; T48-L51 WeakPolarHBondContact O-CB 3.36Å; T48-L51 WeakPolarHBondContact O-CG 3.21Å; T48-L51 PolarHBondContact O-N 3.34Å
49N94.1Very high94.1Very high130 Ų13068.5 Ų68.570%0.69538%0.381SS*.Hα-helixtrans-64.6-26.3178-78.7-133.4000111.6K45 D46 L47K45-N49 PolarHBondContact O-N 3.03Å; K45-N49 VanDerWaalsContact O-N 3.13Å; K45-N49 PolarHBondContact O-ND2 2.92Å; D46-N49 WeakPolarHBondContact O-CB 3.33Å; D46-N49 PolarHBondContact O-N 2.84Å; D46-N49 VanDerWaalsContact O-N 3.08Å; L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.3Å
50G92.5Very high94.1Very high32 Ų3266.4 Ų66.433%0.3337%0.371SS..THydrogen-bonded Turntrans-80.8-9.9177.900000115.7L47 T48 A52 Y53L47-G50 PolarHBondContact O-N 2.88Å; T48-G50 PolarHBondContact O-N 2.87Å; G50-A52 PolarHBondContact O-N 2.88Å; G50-A52 VanDerWaalsContact O-N 3.08Å; G50-Y53 PolarHBondContact O-N 2.93Å
51L91.6Very high94.1Very high39 Ų3969.4 Ų69.420%0.20439%0.392CS..Hα-helixtrans-57.8-29.3-171.8-72.8176.4000114.2M22 T48 Y53 V54 G55 K57M22-L51 HydrophobicContact CE-CD2 3.35Å; M22-L51 HydrophobicContact CE-CG 4.47Å; T48-L51 HydrophobicContact CG2-CD1 3.81Å; T48-L51 WeakPolarHBondContact O-CB 3.36Å; T48-L51 WeakPolarHBondContact O-CG 3.21Å; T48-L51 PolarHBondContact O-N 3.34Å; L51-Y53 PolarHBondContact O-N 2.9Å; L51-Y53 VanDerWaalsContact O-N 3.12Å; L51-V54 HydrophobicContact CD2-CG2 4.39Å; L51-V54 PolarHBondContact O-N 2.87Å; L51-G55 PolarHBondContact O-N 3.18Å; L51-K57 HydrophobicContact CD2-CB 3.94Å
52A92.3Very high94.1Very high91 Ų9167.9 Ų67.975%0.75238%0.38SS*.Hα-helixtrans-58.3-24.5177.800000113.5G50G50-A52 PolarHBondContact O-N 2.88Å; G50-A52 VanDerWaalsContact O-N 3.08Å
53Y92.4Very high94.1Very high214 Ų21472.2 Ų72.284%0.83939%0.39SS*.Hα-helixtrans-105.4-17-176.1-60.4-70.3000114.3G50 L51G50-Y53 PolarHBondContact O-N 2.93Å; L51-Y53 PolarHBondContact O-N 2.9Å; L51-Y53 VanDerWaalsContact O-N 3.12Å
54V90.4Very high94.1Very high56 Ų5673.8 Ų73.834%0.33939%0.394SS..Hα-helixtrans-114-9-176.2-60.90000113.9M22 L51M22-V54 HydrophobicContact CE-CG2 3.92Å; L51-V54 HydrophobicContact CD2-CG2 4.39Å; L51-V54 PolarHBondContact O-N 2.87Å
55G84.7Confident94.1Very high29 Ų2976 Ų7630%0.29941%0.41SS..  trans94.3176.4179.300000114L51 K57L51-G55 PolarHBondContact O-N 3.18Å; G55-K57 PolarHBondContact O-N 3.46Å
56P87.1Confident94.1Very high123 Ų12371 Ų7180%0.79939%0.391SS*.  trans-70.5119.9-16928.5-34.6000111.6
57K90.9Very high94.1Very high24 Ų2465.5 Ų65.510%0.10436%0.361CS..  trans-141.6149.1170.6-59.7-176.4-173.5-60.10109.1M22 G25 G27 N28 L51 G55M22-K57 HydrophobicContact CE-CB 4.03Å; M22-K57 HydrophobicContact CE-CD 3.63Å; M22-K57 HydrophobicContact CE-CG 4.27Å; M22-K57 HydrophobicContact SD-CB 4.33Å; M22-K57 HydrophobicContact SD-CD 3.55Å; M22-K57 VanDerWaalsContact SD-CD 3.55Å; G25-K57 PolarHBondContact O-NZ 3.38Å; G27-K57 WeakPolarHBondContact O-CD 3.16Å; G27-K57 PolarHBondContact O-NZ 2.81Å; N28-K57 WeakPolarHBondContact O-CA 3Å; L51-K57 HydrophobicContact CD2-CB 3.94Å; G55-K57 PolarHBondContact O-N 3.46Å
58R94.3Very high94.1Very high156 Ų15667.7 Ų67.759%0.58938%0.378SS*.EExtended strand (participates in β ladder)trans-99.1119172-177.8178.2175.4-176.3-3.9108.7N28 N29 V30 Y60N28-R58 PolarHBondContact O-N 3.27Å; N29-R58 CarbonylContact C-O 3.43Å; N29-R58 WeakPolarHBondContact CA-O 3.39Å; V30-R58 PolarHBondContact N-O 3.46Å; R58-Y60 HydrophobicContact CG-CD1 4.03Å
59I95.3Very high94.1Very high15 Ų1569.1 Ų69.18%0.07738%0.383CS..EExtended strand (participates in β ladder)trans-121.4133.8174.1-43.4170.7000107.4M22 V30 I32 V44 L47M22-I59 HydrophobicContact CE-CD1 3.42Å; M22-I59 VanDerWaalsContact CE-CD1 3.42Å; M22-I59 HydrophobicContact CE-CG1 4.18Å; M22-I59 HydrophobicContact CG-CD1 4.06Å; M22-I59 HydrophobicContact SD-CD1 3.37Å; M22-I59 WeakPolarHBondContact SD-CD1 3.22Å; M22-I59 HydrophobicContact SD-CG1 3.88Å; V30-I59 WeakPolarHBondContact O-CA 3.31Å; I32-I59 HydrophobicContact CD1-CG2 4.12Å; V44-I59 HydrophobicContact CG2-CG2 4.24Å; L47-I59 HydrophobicContact CB-CD1 3.55Å; L47-I59 HydrophobicContact CD1-CG2 4.42Å
60Y97.3Very high94.3Very high29 Ų2963.2 Ų63.211%0.11435%0.353CS..EExtended strand (participates in β ladder)trans-156.4155.1-174.562.5-70.8000111.6K4 N29 V30 I32 R58 A62 D66K4-Y60 WeakPolarHBondContact CE-OH 3.31Å; N29-Y60 WeakPolarHBondContact OD1-CE1 3.04Å; V30-Y60 WeakPolarHBondContact O-CD1 3.23Å; V30-Y60 WeakPolarHBondContact O-CE1 3.36Å; V30-Y60 PolarHBondContact O-N 3.38Å; I32-Y60 PolarHBondContact N-O 2.94Å; R58-Y60 HydrophobicContact CG-CD1 4.03Å; Y60-A62 HydrophobicContact CD2-CB 4.19Å; Y60-A62 HydrophobicContact CE2-CB 3.72Å; Y60-A62 PolarHBondContact O-N 3.28Å; Y60-D66 HydrophobicContact CE2-CB 4.33Å
61S98.1Very high94.4Very high65 Ų6564.8 Ų64.846%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-67.1118.5164.9-50.30000108.1
62A97.6Very high94.7Very high6 Ų663 Ų635%0.0534%0.344CS..  trans-104.7160.6-176.200000111.3I32 I33 Y60 D66I32-A62 PolarHBondContact O-N 3.41Å; I33-A62 HydrophobicContact CD1-CB 4.49Å; I33-A62 HydrophobicContact CG1-CB 3.83Å; Y60-A62 HydrophobicContact CD2-CB 4.19Å; Y60-A62 HydrophobicContact CE2-CB 3.72Å; Y60-A62 PolarHBondContact O-N 3.28Å; A62-D66 WeakPolarHBondContact CA-OD2 3.39Å; A62-D66 HydrophobicContact CB-CB 4.06Å
63E97.5Very high95Very high129 Ų12958.6 Ų58.660%0.60331%0.308SS*.  trans-113.9167168.4-67.8-64.9161.200109.6S65 D66E63-S65 PolarHBondContact O-N 3.34Å; E63-D66 PolarHBondContact N-OD2 3.29Å; E63-D66 WeakPolarHBondContact O-CB 3.42Å; E63-D66 PolarHBondContact O-N 3.05Å
64Y97.9Very high95.3Very high56 Ų5648.4 Ų48.422%0.2227%0.268CS..G310 helixtrans-59.6-21.9178.5-73.9-75.8000113.7I8 I33 D66 C67 I101 S104 V105 H108I8-Y64 HydrophobicContact CD1-CE1 4.16Å; I33-Y64 HydrophobicContact CD1-CD1 4.15Å; I33-Y64 HydrophobicContact CD1-CE1 4.48Å; I33-Y64 HydrophobicContact CD1-CG 4.41Å; I33-Y64 HydrophobicContact CG2-CE2 4.29Å; Y64-D66 PolarHBondContact O-N 3.39Å; Y64-C67 WeakPolarHBondContact O-CB 3.39Å; Y64-C67 PolarHBondContact O-N 3.32Å; Y64-C67 PolarHBondContact O-SG 3.24Å; Y64-C67 VanDerWaalsContact O-SG 3.37Å; Y64-I101 HydrophobicContact CE1-CG2 4.38Å; Y64-S104 VanDerWaalsContact CD1-CB 3.47Å; Y64-V105 HydrophobicContact CD1-CG2 3.91Å; Y64-V105 HydrophobicContact CE1-CG2 4.07Å; Y64-H108 PolarHBondContact O-ND1 2.87Å
65S97.1Very high95.7Very high63 Ų6345.8 Ų45.844%0.44125%0.252SS..G310 helixtrans-64-26.6172.252.50000113.6E63 C67 S68 H108E63-S65 PolarHBondContact O-N 3.34Å; S65-C67 PolarHBondContact O-N 3.49Å; S65-S68 PolarHBondContact O-OG 2.92Å; S65-H108 VanDerWaalsContact CA-CD2 3.43Å; S65-H108 WeakPolarHBondContact CA-CD2 3.26Å
66D97.2Very high96.3Very high43 Ų4345.3 Ų45.323%0.2324%0.244CC..G310 helixtrans-73.1-7.5176.4-65.6-65.6000113K4 Y60 A62 E63 Y64 S68K4-D66 WeakPolarHBondContact CE-O 3.42Å; K4-D66 PolarHBondContact NZ-O 3.26Å; Y60-D66 HydrophobicContact CE2-CB 4.33Å; A62-D66 WeakPolarHBondContact CA-OD2 3.39Å; A62-D66 HydrophobicContact CB-CB 4.06Å; E63-D66 PolarHBondContact N-OD2 3.29Å; E63-D66 WeakPolarHBondContact O-CB 3.42Å; E63-D66 PolarHBondContact O-N 3.05Å; Y64-D66 PolarHBondContact O-N 3.39Å; D66-S68 VanDerWaalsContact C-N 3.32Å
67C97.3Very high96.6Very high0 Ų040.3 Ų40.30%021%0.213CC..G310 helixtrans-75.1-18.5178.3-620000113.2Y64 S65 D69 A70 I73 V105 F110Y64-C67 WeakPolarHBondContact O-CB 3.39Å; Y64-C67 PolarHBondContact O-N 3.32Å; Y64-C67 PolarHBondContact O-SG 3.24Å; Y64-C67 VanDerWaalsContact O-SG 3.37Å; S65-C67 PolarHBondContact O-N 3.49Å; C67-D69 VanDerWaalsContact C-N 3.31Å; C67-D69 PolarHBondContact O-N 3.04Å; C67-A70 PolarHBondContact O-N 3.16Å; C67-I73 HydrophobicContact CB-CD1 3.84Å; C67-V105 HydrophobicContact CB-CG1 4.11Å; C67-F110 WeakPolarHBondContact O-CD2 3.25Å
68S96.3Very high96.3Very high64 Ų6441.2 Ų41.245%0.44823%0.229SC..THydrogen-bonded Turntrans-61.5-36.2-170.557.50000114.2S65 D66 H108S65-S68 PolarHBondContact O-OG 2.92Å; D66-S68 VanDerWaalsContact C-N 3.32Å; S68-H108 VanDerWaalsContact CA-O 3.31Å; S68-H108 WeakPolarHBondContact CA-O 3.01Å; S68-H108 WeakPolarHBondContact CB-O 3.28Å
69D95.3Very high95.7Very high87 Ų8735.3 Ų35.347%0.46521%0.214SC..THydrogen-bonded Turntrans-110.814.2-176.463.3-42.8000112.2K4 C67K4-D69 WeakPolarHBondContact CD-OD2 3.43Å; K4-D69 IonicContact NZ-OD1 2.84Å; K4-D69 PolarHBondContact NZ-OD1 3.28Å; K4-D69 IonicContact NZ-OD2 2.59Å; K4-D69 PolarHBondContact NZ-OD2 3.06Å; C67-D69 VanDerWaalsContact C-N 3.31Å; C67-D69 PolarHBondContact O-N 3.04Å
70A96.9Very high94.9Very high7 Ų738.6 Ų38.66%0.05824%0.243CC..  trans-73.5143.1174.400000111K4 V6 C67 I73 F110K4-A70 HydrophobicContact CD-CB 4.44Å; K4-A70 HydrophobicContact CG-CB 4.39Å; V6-A70 HydrophobicContact CG2-CB 3.94Å; C67-A70 PolarHBondContact O-N 3.16Å; A70-I73 HydrophobicContact CB-CD1 4Å; A70-F110 HydrophobicContact CB-CD2 4.24Å; A70-F110 HydrophobicContact CB-CE2 4.01Å; A70-F110 WeakPolarHBondContact O-CE2 3.32Å
71D95.7Very high93.8Very high65 Ų6542 Ų4235%0.34826%0.26SS..SBendtrans-82.9-35.5168.4-56.1-68.4000110.7N3 K4 G112 I113 L244N3-D71 WeakPolarHBondContact CA-OD2 3.33Å; K4-D71 PolarHBondContact N-OD2 3.47Å; K4-D71 PolarHBondContact O-N 3.42Å; D71-G112 WeakPolarHBondContact O-CA 3.47Å; D71-I113 PolarHBondContact O-N 3.16Å; D71-L244 HydrophobicContact CB-CD2 4.01Å
72L97.1Very high92.9Very high0 Ų045.4 Ų45.40%027%0.266CS..EExtended strand (participates in β ladder)trans-136.9126-174.3-17270.4000111.3K4 I5 V6 V74 I113 L115 T240 I243K4-L72 PolarHBondContact O-N 2.78Å; I5-L72 WeakPolarHBondContact CA-O 3.49Å; V6-L72 PolarHBondContact N-O 2.89Å; L72-V74 HydrophobicContact CD2-CG2 3.75Å; L72-V74 HydrophobicContact CG-CG2 3.85Å; L72-I113 WeakPolarHBondContact CA-O 3.15Å; L72-I113 HydrophobicContact CD1-CB 3.9Å; L72-I113 HydrophobicContact CD1-CG2 3.84Å; L72-I113 WeakPolarHBondContact CD1-O 3.36Å; L72-L115 HydrophobicContact CD1-CB 4.04Å; L72-T240 HydrophobicContact CD2-CG2 3.57Å; L72-I243 HydrophobicContact CD1-CD1 4.02Å
73I98.4Very high91.8Very high0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-104.6119.9169-62-74.4000107.8V6 I8 C67 A70 I75 V105 F110 I113 F114 L115V6-I73 HydrophobicContact CB-CD1 3.63Å; V6-I73 HydrophobicContact CG1-CD1 4.1Å; V6-I73 HydrophobicContact CG2-CD1 4.3Å; V6-I73 WeakPolarHBondContact O-CA 3.29Å; I8-I73 HydrophobicContact CD1-CG2 3.73Å; I8-I73 HydrophobicContact CG1-CG2 4.26Å; C67-I73 HydrophobicContact CB-CD1 3.84Å; A70-I73 HydrophobicContact CB-CD1 4Å; I73-I75 HydrophobicContact CG2-CG1 4.06Å; I73-V105 HydrophobicContact CD1-CG1 4.3Å; I73-V105 HydrophobicContact CG1-CG1 4.19Å; I73-F110 HydrophobicContact CB-CE1 4.19Å; I73-F110 HydrophobicContact CB-CZ 4Å; I73-F110 HydrophobicContact CD1-CD2 4.34Å; I73-F110 HydrophobicContact CD1-CE2 4.25Å; I73-F110 HydrophobicContact CG1-CD1 3.97Å; I73-F110 HydrophobicContact CG1-CD2 3.82Å; I73-F110 HydrophobicContact CG1-CE1 3.62Å; I73-F110 HydrophobicContact CG1-CE2 3.43Å; I73-F110 VanDerWaalsContact CG1-CE2 3.43Å; I73-F110 HydrophobicContact CG1-CG 4.05Å; I73-F110 HydrophobicContact CG1-CZ 3.32Å; I73-I113 PolarHBondContact N-O 3.49Å; I73-F114 HydrophobicContact CB-CD1 3.89Å; I73-F114 HydrophobicContact CB-CE1 4Å; I73-F114 HydrophobicContact CG1-CE1 4.43Å; I73-F114 HydrophobicContact CG2-CD1 3.78Å; I73-F114 HydrophobicContact CG2-CE1 3.73Å; I73-F114 WeakPolarHBondContact O-CA 3.35Å; I73-L115 PolarHBondContact O-N 3.23Å
74V98.6Very high90.9Very high0 Ų055 Ų550%032%0.315CS..EExtended strand (participates in β ladder)trans-108115177.9-170.80000109.6I5 V6 I8 Y17 L72 T76 L115I5-V74 HydrophobicContact CG2-CG2 4.07Å; V6-V74 PolarHBondContact O-N 3.29Å; I8-V74 PolarHBondContact N-O 3.45Å; Y17-V74 HydrophobicContact CD1-CG1 4.31Å; Y17-V74 HydrophobicContact CE1-CB 3.92Å; Y17-V74 HydrophobicContact CE1-CG1 3.91Å; Y17-V74 HydrophobicContact CE1-CG2 3.78Å; Y17-V74 WeakPolarHBondContact OH-CG2 3.33Å; L72-V74 HydrophobicContact CD2-CG2 3.75Å; L72-V74 HydrophobicContact CG-CG2 3.85Å; V74-T76 HydrophobicContact CG1-CG2 4.04Å; V74-L115 CarbonylContact C-O 3.53Å; V74-L115 VanDerWaalsContact CA-O 3.32Å; V74-L115 WeakPolarHBondContact CA-O 3.27Å; V74-L115 HydrophobicContact CG1-CB 4.45Å; V74-L115 HydrophobicContact CG1-CD2 4.32Å; V74-L115 HydrophobicContact CG1-CG 4.32Å; V74-L115 HydrophobicContact CG2-CB 4.21Å; V74-L115 HydrophobicContact CG2-CD2 4.27Å
75I98.5Very high90.1Very high0 Ų053.8 Ų53.80%031%0.312CS..EExtended strand (participates in β ladder)trans-98.2106.7179.8-53.1-176.4000108.7I73 I98 I101 V102 F114 L115 I116 A117 S118I73-I75 HydrophobicContact CG2-CG1 4.06Å; I75-I98 HydrophobicContact CG2-CG1 4.35Å; I75-I101 HydrophobicContact CD1-CG2 3.89Å; I75-I101 HydrophobicContact CG1-CG2 4.39Å; I75-I101 HydrophobicContact CG2-CD1 4.36Å; I75-V102 HydrophobicContact CD1-CG2 4.07Å; I75-F114 HydrophobicContact CD1-CD1 4.07Å; I75-F114 HydrophobicContact CD1-CE1 4.28Å; I75-L115 PolarHBondContact N-O 3.34Å; I75-I116 HydrophobicContact CB-CD1 4Å; I75-I116 HydrophobicContact CD1-CD1 3.78Å; I75-I116 HydrophobicContact CG1-CD1 4Å; I75-A117 PolarHBondContact O-N 3.22Å; I75-S118 PolarHBondContact O-N 3.27Å; I75-S118 PolarHBondContact O-OG 3.05Å
76T97.6Very high89.1Confident19 Ų1954.2 Ų54.212%0.11731%0.312CS..  trans-107.8-11.9172.177.50000112V7 I8 G9 V13 V74 G78 A117 L236V7-T76 HydrophobicContact CG1-CG2 4.37Å; I8-T76 PolarHBondContact O-N 2.86Å; G9-T76 PolarHBondContact O-OG1 3.05Å; V13-T76 HydrophobicContact CG1-CG2 4.04Å; V74-T76 HydrophobicContact CG1-CG2 4.04Å; T76-G78 PolarHBondContact O-N 3.29Å; T76-A117 HydrophobicContact CG2-CB 4.21Å; T76-L236 HydrophobicContact CG2-CD1 4.47Å
77A93.9Very high87.7Confident18 Ų1859.3 Ų59.315%0.14933%0.328CS..  trans-60.9122.5176.800000111.2I8 I101 S118I8-A77 PolarHBondContact O-N 2.68Å; A77-I101 HydrophobicContact CB-CD1 3.65Å; A77-S118 WeakPolarHBondContact O-CB 3.36Å; A77-S118 PolarHBondContact O-OG 3.36Å
78G85.3Confident86.5Confident44 Ų4464.3 Ų64.345%0.45435%0.354SS..  trans-169.9153.2177.100000108.6T76T76-G78 PolarHBondContact O-N 3.29Å
79A80.8Confident85.8Confident32 Ų3264.5 Ų64.526%0.26435%0.35SS..PPolyproline II helixtrans-84.5144.4171.800000110.5L90 N94A79-L90 WeakPolarHBondContact O-CD1 3.48Å; A79-N94 PolarHBondContact N-OD1 2.62Å; A79-N94 PolarHBondContact O-ND2 3.23Å
80A78Confident85Confident83 Ų8361.5 Ų61.569%0.68633%0.334SS*.PPolyproline II helixtrans-73.4150.2165.300000110.4K82 R93A80-K82 PolarHBondContact O-N 3.22Å; A80-R93 PolarHBondContact O-NH2 2.91Å
81Q75.3Confident84.2Confident100 Ų10063 Ų6347%0.46734%0.342SS..PPolyproline II helixtrans-60.1128.9174.6-162.8172-2.700109.8E85 L90Q81-E85 WeakPolarHBondContact CA-OE2 3.47Å; Q81-E85 HydrophobicContact CG-CB 4.17Å; Q81-E85 PolarHBondContact NE2-O 3.03Å; Q81-L90 HydrophobicContact CB-CD1 4.48Å; Q81-L90 HydrophobicContact CB-CD2 3.92Å; Q81-L90 HydrophobicContact CG-CD2 4.22Å
82K79.2Confident83.8Confident137 Ų13764.8 Ų64.860%0.59635%0.347SS*.PPolyproline II helixtrans-81.2154.8173.1-65.7-178.6177.4-175.40110.3A80 N84 E85A80-K82 PolarHBondContact O-N 3.22Å; K82-N84 PolarHBondContact O-N 2.67Å; K82-E85 HydrophobicContact CB-CB 4.12Å; K82-E85 PolarHBondContact N-OE2 3.45Å; K82-E85 WeakPolarHBondContact O-CB 3.47Å; K82-E85 PolarHBondContact O-N 3.02Å
83E74.1Confident83.5Confident179 Ų17967.9 Ų67.984%0.83636%0.358SS*.THydrogen-bonded Turntrans-54.4126.4167-161.9177.4-175.800108.8E85E83-E85 PolarHBondContact O-N 3.28Å
84N79.4Confident83.1Confident158 Ų15868 Ų6885%0.84536%0.359SS*.THydrogen-bonded Turntrans73.18.2-174.7-45.7-61.5000117.4K82K82-N84 PolarHBondContact O-N 2.67Å
85E80.6Confident82.7Confident30 Ų3068.9 Ų68.914%0.1437%0.366CS..  trans-83.6133.8171.9-172.4-179.9-149.600110.7Q81 K82 E83 D89 R93Q81-E85 WeakPolarHBondContact CA-OE2 3.47Å; Q81-E85 HydrophobicContact CG-CB 4.17Å; Q81-E85 PolarHBondContact NE2-O 3.03Å; K82-E85 HydrophobicContact CB-CB 4.12Å; K82-E85 PolarHBondContact N-OE2 3.45Å; K82-E85 WeakPolarHBondContact O-CB 3.47Å; K82-E85 PolarHBondContact O-N 3.02Å; E83-E85 PolarHBondContact O-N 3.28Å; E85-D89 HydrophobicContact CG-CB 3.7Å; E85-R93 VanDerWaalsContact CD-NH2 3.27Å; E85-R93 IonicContact OE1-CZ 3.62Å; E85-R93 VanDerWaalsContact OE1-CZ 3.28Å; E85-R93 IonicContact OE1-NE 3.61Å; E85-R93 PolarHBondContact OE1-NE 3.03Å; E85-R93 IonicContact OE1-NH2 3.82Å; E85-R93 PolarHBondContact OE1-NH2 3.08Å; E85-R93 VanDerWaalsContact OE1-NH2 3.08Å; E85-R93 IonicContact OE2-CZ 3.44Å; E85-R93 IonicContact OE2-NE 3.01Å; E85-R93 IonicContact OE2-NH2 2.73Å; E85-R93 PolarHBondContact OE2-NH2 3.11Å
86T75.5Confident82.5Confident73 Ų7377.7 Ų77.745%0.44840%0.4SS..  trans-73.6155.4174.674.90000111.1L88 D89 L90T86-L88 PolarHBondContact O-N 3.23Å; T86-D89 PolarHBondContact O-N 3.38Å; T86-D89 VanDerWaalsContact O-N 3.07Å; T86-D89 PolarHBondContact OG1-N 3.14Å; T86-D89 VanDerWaalsContact OG1-N 3.11Å; T86-D89 PolarHBondContact OG1-OD2 3.32Å; T86-L90 PolarHBondContact O-N 2.91Å
87R68.2Low82.3Confident149 Ų14979.4 Ų79.456%0.56241%0.41SS*.Hα-helixtrans-53.8-38.6172.9-74.6-177.4175.5170.1-4.1111.8L90 V91 D176 Y219R87-L90 WeakPolarHBondContact O-CB 3.5Å; R87-L90 PolarHBondContact O-N 3.04Å; R87-V91 WeakPolarHBondContact O-CG2 3.32Å; R87-V91 PolarHBondContact O-N 3.29Å; R87-D176 IonicContact CZ-OD2 2.69Å; R87-D176 IonicContact NH1-OD2 3.51Å; R87-D176 PolarHBondContact NH1-OD2 2.98Å; R87-D176 IonicContact NH2-OD1 2.89Å; R87-D176 IonicContact NH2-OD2 3.22Å; R87-D176 PolarHBondContact NH2-OD2 2.73Å; R87-Y219 PolarHBondContact NH2-OH 3.2Å
88L72.9Confident82.4Confident105 Ų10578.6 Ų78.655%0.5540%0.404SS..Hα-helixtrans-66.2-38.8178.5-177.662.2000112.5T86 V91 K92T86-L88 PolarHBondContact O-N 3.23Å; L88-V91 PolarHBondContact O-N 3.25Å; L88-K92 WeakPolarHBondContact O-CG 3.5Å; L88-K92 PolarHBondContact O-N 3.28Å
89D81Confident82.9Confident69 Ų6980.7 Ų80.737%0.36940%0.4SS..Hα-helixtrans-68.2-40.7177.5-64.3-41.1000111.5E85 T86 V91 K92 R93E85-D89 HydrophobicContact CG-CB 3.7Å; T86-D89 PolarHBondContact O-N 3.38Å; T86-D89 VanDerWaalsContact O-N 3.07Å; T86-D89 PolarHBondContact OG1-N 3.14Å; T86-D89 VanDerWaalsContact OG1-N 3.11Å; T86-D89 PolarHBondContact OG1-OD2 3.32Å; D89-V91 PolarHBondContact O-N 3.41Å; D89-K92 PolarHBondContact O-N 3.41Å; D89-R93 WeakPolarHBondContact O-CB 3.49Å; D89-R93 PolarHBondContact O-N 3.24Å
90L78.5Confident83.7Confident24 Ų2482.4 Ų82.413%0.12641%0.41CS..Hα-helixtrans-57.6-48171.8178.765000111.4A79 Q81 T86 R87 K92 R93 N94A79-L90 WeakPolarHBondContact O-CD1 3.48Å; Q81-L90 HydrophobicContact CB-CD1 4.48Å; Q81-L90 HydrophobicContact CB-CD2 3.92Å; Q81-L90 HydrophobicContact CG-CD2 4.22Å; T86-L90 PolarHBondContact O-N 2.91Å; R87-L90 WeakPolarHBondContact O-CB 3.5Å; R87-L90 PolarHBondContact O-N 3.04Å; L90-K92 PolarHBondContact O-N 2.85Å; L90-R93 PolarHBondContact O-N 3.42Å; L90-N94 PolarHBondContact O-N 2.98Å
91V80.4Confident84.6Confident38 Ų3878.9 Ų78.923%0.2338%0.379CS..Hα-helixtrans-57.4-49.1176.4178.90000110.6R87 L88 D89 R93 N94 A95 P120 V123R87-V91 WeakPolarHBondContact O-CG2 3.32Å; R87-V91 PolarHBondContact O-N 3.29Å; L88-V91 PolarHBondContact O-N 3.25Å; D89-V91 PolarHBondContact O-N 3.41Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.36Å; V91-N94 PolarHBondContact O-N 2.94Å; V91-A95 WeakPolarHBondContact O-CB 3.46Å; V91-A95 PolarHBondContact O-N 3.38Å; V91-P120 HydrophobicContact CB-CG 4.47Å; V91-P120 HydrophobicContact CG1-CG 4.42Å; V91-P120 HydrophobicContact CG2-CG 3.59Å; V91-V123 HydrophobicContact CG1-CG1 4.18Å
92K87.5Confident85.7Confident103 Ų10374.2 Ų74.245%0.44836%0.358SS..Hα-helixtrans-59.8-41.6179.1-74.6172.2-177.1168.70111.9L88 D89 L90 R96L88-K92 WeakPolarHBondContact O-CG 3.5Å; L88-K92 PolarHBondContact O-N 3.28Å; D89-K92 PolarHBondContact O-N 3.41Å; L90-K92 PolarHBondContact O-N 2.85Å; K92-R96 WeakPolarHBondContact O-CG 3.32Å; K92-R96 PolarHBondContact O-N 3.32Å; K92-R96 VanDerWaalsContact O-N 3.1Å
93R90.2Very high86.6Confident64 Ų6473.1 Ų73.124%0.24236%0.355CS..Hα-helixtrans-66.2-49.7179.7-176.8160.360.1119.86.2111.1A80 E85 D89 L90 V91 A95 R96 T97A80-R93 PolarHBondContact O-NH2 2.91Å; E85-R93 VanDerWaalsContact CD-NH2 3.27Å; E85-R93 IonicContact OE1-CZ 3.62Å; E85-R93 VanDerWaalsContact OE1-CZ 3.28Å; E85-R93 IonicContact OE1-NE 3.61Å; E85-R93 PolarHBondContact OE1-NE 3.03Å; E85-R93 IonicContact OE1-NH2 3.82Å; E85-R93 PolarHBondContact OE1-NH2 3.08Å; E85-R93 VanDerWaalsContact OE1-NH2 3.08Å; E85-R93 IonicContact OE2-CZ 3.44Å; E85-R93 IonicContact OE2-NE 3.01Å; E85-R93 IonicContact OE2-NH2 2.73Å; E85-R93 PolarHBondContact OE2-NH2 3.11Å; D89-R93 WeakPolarHBondContact O-CB 3.49Å; D89-R93 PolarHBondContact O-N 3.24Å; L90-R93 PolarHBondContact O-N 3.42Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.36Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 3.32Å; R93-R96 PolarHBondContact O-N 2.85Å; R93-T97 PolarHBondContact O-N 3.32Å; R93-T97 VanDerWaalsContact O-N 3.14Å; R93-T97 PolarHBondContact O-OG1 2.87Å
94N89.5Confident87.7Confident3 Ų366.4 Ų66.42%0.01633%0.328CS..Hα-helixtrans-66.4-35.1178.6-72.8-10.4000112.1A79 L90 V91 R96 T97 I98 N119 L124A79-N94 PolarHBondContact N-OD1 2.62Å; A79-N94 PolarHBondContact O-ND2 3.23Å; L90-N94 PolarHBondContact O-N 2.98Å; V91-N94 PolarHBondContact O-N 2.94Å; N94-R96 PolarHBondContact O-N 2.82Å; N94-T97 PolarHBondContact O-N 3.2Å; N94-I98 WeakPolarHBondContact O-CB 3.38Å; N94-I98 PolarHBondContact O-N 3.42Å; N94-N119 PolarHBondContact ND2-O 3.07Å; N94-L124 HydrophobicContact CB-CD1 3.99Å
95A90.5Very high88.6Confident18 Ų1858.9 Ų58.915%0.14929%0.287CS..Hα-helixtrans-62.5-39.2172.600000112.5V91 R93 K99 L124 Y127V91-A95 WeakPolarHBondContact O-CB 3.46Å; V91-A95 PolarHBondContact O-N 3.38Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 3.32Å; A95-K99 WeakPolarHBondContact O-CB 3.41Å; A95-K99 PolarHBondContact O-N 3.37Å; A95-L124 HydrophobicContact CB-CD2 4.25Å; A95-Y127 HydrophobicContact CB-CD1 4.14Å; A95-Y127 HydrophobicContact CB-CE1 3.88Å; A95-Y127 VanDerWaalsContact O-CE1 3.32Å; A95-Y127 WeakPolarHBondContact O-CE1 3.29Å
96R94.1Very high89.4Confident185 Ų18559.9 Ų59.970%0.69829%0.293SS*.Hα-helixtrans-64.3-46.2174.4-70.8179.2-145.5168.75.2111.8K92 R93 N94 K99 S100K92-R96 WeakPolarHBondContact O-CG 3.32Å; K92-R96 PolarHBondContact O-N 3.32Å; K92-R96 VanDerWaalsContact O-N 3.1Å; R93-R96 PolarHBondContact O-N 2.85Å; N94-R96 PolarHBondContact O-N 2.82Å; R96-K99 PolarHBondContact O-N 3.28Å; R96-S100 PolarHBondContact O-N 2.82Å; R96-S100 VanDerWaalsContact O-N 3.14Å
97T94.3Very high90.5Very high56 Ų5659.6 Ų59.634%0.34430%0.298SS..Hα-helixtrans-59.7-49.1177.6-58.40000111.1R93 N94 K99 S100 I101R93-T97 PolarHBondContact O-N 3.32Å; R93-T97 VanDerWaalsContact O-N 3.14Å; R93-T97 PolarHBondContact O-OG1 2.87Å; N94-T97 PolarHBondContact O-N 3.2Å; T97-K99 VanDerWaalsContact C-N 3.33Å; T97-K99 PolarHBondContact O-N 2.84Å; T97-S100 WeakPolarHBondContact O-CB 3.44Å; T97-S100 PolarHBondContact O-N 2.91Å; T97-I101 HydrophobicContact CG2-CD1 3.88Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.35Å
98I95Very high91.9Very high1 Ų155.8 Ų55.81%0.00529%0.286CS..Hα-helixtrans-62-40.4177.9-80.5178.9000111.9I75 N94 S100 I101 V102 L124 Y127 V128 L131I75-I98 HydrophobicContact CG2-CG1 4.35Å; N94-I98 WeakPolarHBondContact O-CB 3.38Å; N94-I98 PolarHBondContact O-N 3.42Å; I98-S100 VanDerWaalsContact C-N 3.33Å; I98-S100 PolarHBondContact O-N 2.84Å; I98-I101 PolarHBondContact O-N 2.87Å; I98-V102 HydrophobicContact CG2-CG2 3.99Å; I98-V102 WeakPolarHBondContact O-CB 3.25Å; I98-V102 VanDerWaalsContact O-CG2 3.25Å; I98-V102 WeakPolarHBondContact O-CG2 3.35Å; I98-V102 PolarHBondContact O-N 2.82Å; I98-L124 HydrophobicContact CD1-CB 3.73Å; I98-L124 HydrophobicContact CD1-CD1 3.61Å; I98-L124 HydrophobicContact CD1-CD2 3.91Å; I98-L124 HydrophobicContact CD1-CG 3.92Å; I98-Y127 HydrophobicContact CG2-CD1 4.23Å; I98-V128 HydrophobicContact CG2-CG2 3.5Å; I98-L131 HydrophobicContact CG2-CD1 4.48Å
99K96.8Very high93Very high88 Ų8858.5 Ų58.538%0.38330%0.296SS..Hα-helixtrans-57.3-47.8176.3-174.1-178.1-179.4176.80111.4A95 R96 T97 Q103 Y127 L131A95-K99 WeakPolarHBondContact O-CB 3.41Å; A95-K99 PolarHBondContact O-N 3.37Å; R96-K99 PolarHBondContact O-N 3.28Å; T97-K99 VanDerWaalsContact C-N 3.33Å; T97-K99 PolarHBondContact O-N 2.84Å; K99-Q103 HydrophobicContact CG-CG 4.47Å; K99-Q103 WeakPolarHBondContact O-CB 3.18Å; K99-Q103 VanDerWaalsContact O-CG 3.23Å; K99-Q103 WeakPolarHBondContact O-CG 3.23Å; K99-Q103 PolarHBondContact O-N 3.2Å; K99-Y127 HydrophobicContact CB-CE1 4.21Å; K99-L131 HydrophobicContact CB-CD1 4.08Å; K99-L131 HydrophobicContact CG-CD1 4.19Å; K99-L131 HydrophobicContact CG-CD2 4.07Å
100S96.7Very high93.8Very high67 Ų6755.4 Ų55.447%0.46928%0.279SS..Hα-helixtrans-60.4-48.9178.1-173.70000111.7R96 T97 I98 V102 Q103 S104R96-S100 PolarHBondContact O-N 2.82Å; R96-S100 VanDerWaalsContact O-N 3.14Å; T97-S100 WeakPolarHBondContact O-CB 3.44Å; T97-S100 PolarHBondContact O-N 2.91Å; I98-S100 VanDerWaalsContact C-N 3.33Å; I98-S100 PolarHBondContact O-N 2.84Å; S100-V102 PolarHBondContact O-N 2.84Å; S100-Q103 PolarHBondContact O-N 2.89Å; S100-S104 PolarHBondContact O-N 2.84Å; S100-S104 PolarHBondContact O-OG 3.02Å
101I97.8Very high94.5Very high9 Ų959.2 Ų59.25%0.04630%0.3CS..Hα-helixtrans-57.6-53.4178-70.5167.7000110.9I8 Y64 I75 A77 T97 I98 Q103 S104 V105I8-I101 HydrophobicContact CB-CG2 4.36Å; I8-I101 HydrophobicContact CD1-CG2 3.59Å; I8-I101 HydrophobicContact CG2-CD1 3.95Å; I8-I101 HydrophobicContact CG2-CG1 4.13Å; I8-I101 HydrophobicContact CG2-CG2 3.82Å; Y64-I101 HydrophobicContact CE1-CG2 4.38Å; I75-I101 HydrophobicContact CD1-CG2 3.89Å; I75-I101 HydrophobicContact CG1-CG2 4.39Å; I75-I101 HydrophobicContact CG2-CD1 4.36Å; A77-I101 HydrophobicContact CB-CD1 3.65Å; T97-I101 HydrophobicContact CG2-CD1 3.88Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.35Å; I98-I101 PolarHBondContact O-N 2.87Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.05Å; I101-S104 PolarHBondContact O-N 3.39Å; I101-V105 HydrophobicContact CG2-CG2 4.37Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.36Å
102V97.8Very high95.2Very high2 Ų257.9 Ų57.91%0.01229%0.294CS..Hα-helixtrans-62.3-41.2-177.1172.10000110.7I75 I98 S100 S104 V105 M106 V128 L131 T132I75-V102 HydrophobicContact CD1-CG2 4.07Å; I98-V102 HydrophobicContact CG2-CG2 3.99Å; I98-V102 WeakPolarHBondContact O-CB 3.25Å; I98-V102 VanDerWaalsContact O-CG2 3.25Å; I98-V102 WeakPolarHBondContact O-CG2 3.35Å; I98-V102 PolarHBondContact O-N 2.82Å; S100-V102 PolarHBondContact O-N 2.84Å; V102-S104 PolarHBondContact O-N 3.01Å; V102-V105 PolarHBondContact O-N 3.28Å; V102-M106 HydrophobicContact CG1-CG 4.05Å; V102-M106 WeakPolarHBondContact O-CB 3.23Å; V102-M106 WeakPolarHBondContact O-CG 3.47Å; V102-M106 PolarHBondContact O-N 3.13Å; V102-V128 HydrophobicContact CG2-CG1 4.11Å; V102-V128 HydrophobicContact CG2-CG2 4.01Å; V102-L131 HydrophobicContact CB-CD1 4.32Å; V102-L131 HydrophobicContact CG1-CB 3.97Å; V102-L131 HydrophobicContact CG1-CD1 4.44Å; V102-T132 HydrophobicContact CG1-CG2 3.52Å
103Q97.8Very high95.6Very high114 Ų11454.8 Ų54.853%0.53328%0.282SS..Hα-helixtrans-61.3-44175.9-75.2179.8-43.700112.1K99 S100 I101 M106 A107K99-Q103 HydrophobicContact CG-CG 4.47Å; K99-Q103 WeakPolarHBondContact O-CB 3.18Å; K99-Q103 VanDerWaalsContact O-CG 3.23Å; K99-Q103 WeakPolarHBondContact O-CG 3.23Å; K99-Q103 PolarHBondContact O-N 3.2Å; S100-Q103 PolarHBondContact O-N 2.89Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.05Å; Q103-M106 PolarHBondContact O-N 3.27Å; Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.86Å
104S98Very high96Very high38 Ų3851.8 Ų51.827%0.26627%0.27SS..Hα-helixtrans-64.7-39176.6-62.40000112.7Y64 S100 I101 V102 H108Y64-S104 VanDerWaalsContact CD1-CB 3.47Å; S100-S104 PolarHBondContact O-N 2.84Å; S100-S104 PolarHBondContact O-OG 3.02Å; I101-S104 PolarHBondContact O-N 3.39Å; V102-S104 PolarHBondContact O-N 3.01Å; S104-H108 PolarHBondContact O-ND1 2.84Å
105V98.3Very high96.4Very high0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-65-48.6174.8171.90000110.9I8 Y64 C67 I73 I101 V102 A107 H108 F110 F114I8-V105 HydrophobicContact CD1-CG2 3.5Å; I8-V105 VanDerWaalsContact CD1-CG2 3.5Å; Y64-V105 HydrophobicContact CD1-CG2 3.91Å; Y64-V105 HydrophobicContact CE1-CG2 4.07Å; C67-V105 HydrophobicContact CB-CG1 4.11Å; I73-V105 HydrophobicContact CD1-CG1 4.3Å; I73-V105 HydrophobicContact CG1-CG1 4.19Å; I101-V105 HydrophobicContact CG2-CG2 4.37Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.36Å; V102-V105 PolarHBondContact O-N 3.28Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.77Å; V105-H108 PolarHBondContact O-N 2.65Å; V105-H108 VanDerWaalsContact O-N 3.1Å; V105-F110 HydrophobicContact CG1-CB 3.64Å; V105-F110 HydrophobicContact CG1-CD1 3.84Å; V105-F110 HydrophobicContact CG1-CG 3.88Å; V105-F114 HydrophobicContact CB-CE1 4.46Å; V105-F114 HydrophobicContact CB-CZ 4.37Å; V105-F114 HydrophobicContact CG1-CE1 3.93Å; V105-F114 HydrophobicContact CG1-CZ 3.66Å
106M97.7Very high96.7Very high51 Ų5150.8 Ų50.825%0.25126%0.263SS..Hα-helixtrans-69.3-27.1-177.4-67.3-50.8-6100112.9V102 Q103 H108 H109 F110 F114 T132 F134V102-M106 HydrophobicContact CG1-CG 4.05Å; V102-M106 WeakPolarHBondContact O-CB 3.23Å; V102-M106 WeakPolarHBondContact O-CG 3.47Å; V102-M106 PolarHBondContact O-N 3.13Å; Q103-M106 PolarHBondContact O-N 3.27Å; M106-H108 PolarHBondContact O-N 2.98Å; M106-H109 PolarHBondContact O-N 3.49Å; M106-H109 VanDerWaalsContact O-N 3.1Å; M106-F110 HydrophobicContact SD-CD1 4.5Å; M106-F114 HydrophobicContact SD-CE2 3.94Å; M106-F114 HydrophobicContact SD-CZ 3.97Å; M106-T132 HydrophobicContact CG-CG2 4.17Å; M106-T132 HydrophobicContact SD-CG2 4.04Å; M106-F134 HydrophobicContact CE-CD1 4.36Å; M106-F134 HydrophobicContact CE-CE1 3.44Å; M106-F134 VanDerWaalsContact CE-CE1 3.44Å; M106-F134 HydrophobicContact CE-CZ 3.67Å; M106-F134 HydrophobicContact SD-CE1 4.23Å; M106-F134 HydrophobicContact SD-CZ 3.98Å
107A97.8Very high96.8Very high68 Ų6842.5 Ų42.556%0.56223%0.234SC*.THydrogen-bonded Turntrans-61.2-20.3171.900000113.2Q103 V105Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.86Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.77Å
108H97.5Very high96.7Very high68 Ų6840 Ų4032%0.31522%0.219SC..THydrogen-bonded Turntrans-102.921.6177.2-61.891.4000112.8Y64 S65 S68 S104 V105 M106 F110Y64-H108 PolarHBondContact O-ND1 2.87Å; S65-H108 VanDerWaalsContact CA-CD2 3.43Å; S65-H108 WeakPolarHBondContact CA-CD2 3.26Å; S68-H108 VanDerWaalsContact CA-O 3.31Å; S68-H108 WeakPolarHBondContact CA-O 3.01Å; S68-H108 WeakPolarHBondContact CB-O 3.28Å; S104-H108 PolarHBondContact O-ND1 2.84Å; V105-H108 PolarHBondContact O-N 2.65Å; V105-H108 VanDerWaalsContact O-N 3.1Å; M106-H108 PolarHBondContact O-N 2.98Å; H108-F110 PolarHBondContact O-N 3.05Å; H108-F110 VanDerWaalsContact O-N 3.17Å
109H95.5Very high96.5Very high163 Ų16343.6 Ų43.676%0.75524%0.238SC*.THydrogen-bonded Turntrans58.329.4172.5-53.3-69.7000115.3M106 N111M106-H109 PolarHBondContact O-N 3.49Å; M106-H109 VanDerWaalsContact O-N 3.1Å; H109-N111 PolarHBondContact O-N 3.38Å
110F97.3Very high96Very high3 Ų340.7 Ų40.71%0.01323%0.228CC..  trans-52.2138.3171.4173-113.9000111C67 A70 I73 V105 M106 H108 G112 I113 F114 F134C67-F110 WeakPolarHBondContact O-CD2 3.25Å; A70-F110 HydrophobicContact CB-CD2 4.24Å; A70-F110 HydrophobicContact CB-CE2 4.01Å; A70-F110 WeakPolarHBondContact O-CE2 3.32Å; I73-F110 HydrophobicContact CB-CE1 4.19Å; I73-F110 HydrophobicContact CB-CZ 4Å; I73-F110 HydrophobicContact CD1-CD2 4.34Å; I73-F110 HydrophobicContact CD1-CE2 4.25Å; I73-F110 HydrophobicContact CG1-CD1 3.97Å; I73-F110 HydrophobicContact CG1-CD2 3.82Å; I73-F110 HydrophobicContact CG1-CE1 3.62Å; I73-F110 HydrophobicContact CG1-CE2 3.43Å; I73-F110 VanDerWaalsContact CG1-CE2 3.43Å; I73-F110 HydrophobicContact CG1-CG 4.05Å; I73-F110 HydrophobicContact CG1-CZ 3.32Å; V105-F110 HydrophobicContact CG1-CB 3.64Å; V105-F110 HydrophobicContact CG1-CD1 3.84Å; V105-F110 HydrophobicContact CG1-CG 3.88Å; M106-F110 HydrophobicContact SD-CD1 4.5Å; H108-F110 PolarHBondContact O-N 3.05Å; H108-F110 VanDerWaalsContact O-N 3.17Å; F110-G112 VanDerWaalsContact CE2-CA 3.47Å; F110-G112 VanDerWaalsContact CE2-N 3.3Å; F110-I113 WeakPolarHBondContact CZ-O 3.49Å; F110-F114 HydrophobicContact CD1-CD2 4.25Å; F110-F114 HydrophobicContact CD1-CE1 4.32Å; F110-F114 AromaticContact CD1-CE2 3.5Å; F110-F114 HydrophobicContact CD1-CE2 3.5Å; F110-F114 VanDerWaalsContact CD1-CE2 3.5Å; F110-F114 AromaticContact CD1-CZ 3.54Å; F110-F114 HydrophobicContact CD1-CZ 3.54Å; F110-F114 HydrophobicContact CE1-CD1 4.42Å; F110-F114 AromaticContact CE1-CD2 3.71Å; F110-F114 HydrophobicContact CE1-CD2 3.71Å; F110-F114 HydrophobicContact CE1-CE1 4.19Å; F110-F114 AromaticContact CE1-CE2 3.43Å; F110-F114 HydrophobicContact CE1-CE2 3.43Å; F110-F114 VanDerWaalsContact CE1-CE2 3.43Å; F110-F114 HydrophobicContact CE1-CG 4.21Å; F110-F114 AromaticContact CE1-CZ 3.71Å; F110-F114 HydrophobicContact CE1-CZ 3.71Å; F110-F134 HydrophobicContact CD1-CE2 4.19Å; F110-F134 HydrophobicContact CD1-CZ 4.45Å; F110-F134 HydrophobicContact CE1-CE2 4.18Å; F110-F134 WeakPolarHBondContact O-CZ 3.32Å
111N94.9Very high95.7Very high104 Ų10437.6 Ų37.656%0.55621%0.206SC*.  trans-139.118.6-176.3-167.829.6000113.3H109 R138H109-N111 PolarHBondContact O-N 3.38Å; N111-R138 PolarHBondContact O-NH1 2.91Å; N111-R138 PolarHBondContact O-NH2 3.06Å; N111-R138 PolarHBondContact OD1-NH1 3.27Å
112G95.2Very high95.1Very high11 Ų1137.4 Ų37.411%0.11321%0.206CC..SBendtrans-91.2-143.6178.200000112.9D71 F110D71-G112 WeakPolarHBondContact O-CA 3.47Å; F110-G112 VanDerWaalsContact CE2-CA 3.47Å; F110-G112 VanDerWaalsContact CE2-N 3.3Å
113I95.7Very high94.6Very high38 Ų3840.6 Ų40.620%0.19523%0.225CC..EExtended strand (participates in β ladder)trans-109.8139.1178.9-65165.5000110.7D71 L72 I73 F110 R138 I140 I243D71-I113 PolarHBondContact O-N 3.16Å; L72-I113 WeakPolarHBondContact CA-O 3.15Å; L72-I113 HydrophobicContact CD1-CB 3.9Å; L72-I113 HydrophobicContact CD1-CG2 3.84Å; L72-I113 WeakPolarHBondContact CD1-O 3.36Å; I73-I113 PolarHBondContact N-O 3.49Å; F110-I113 WeakPolarHBondContact CZ-O 3.49Å; I113-R138 WeakPolarHBondContact CA-O 3.46Å; I113-R138 HydrophobicContact CG1-CG 4.34Å; I113-I140 HydrophobicContact CG2-CD1 4.27Å; I113-I243 HydrophobicContact CD1-CG2 3.59Å; I113-I243 HydrophobicContact CG2-CD1 4.35Å
114F98Very high94.1Very high0 Ų035.2 Ų35.20%020%0.2CC..EExtended strand (participates in β ladder)trans-92.5130.4166.1-75.5-83.5000110.5I73 I75 V105 M106 F110 I116 V128 T132 F134 R138 V139 I140I73-F114 HydrophobicContact CB-CD1 3.89Å; I73-F114 HydrophobicContact CB-CE1 4Å; I73-F114 HydrophobicContact CG1-CE1 4.43Å; I73-F114 HydrophobicContact CG2-CD1 3.78Å; I73-F114 HydrophobicContact CG2-CE1 3.73Å; I73-F114 WeakPolarHBondContact O-CA 3.35Å; I75-F114 HydrophobicContact CD1-CD1 4.07Å; I75-F114 HydrophobicContact CD1-CE1 4.28Å; V105-F114 HydrophobicContact CB-CE1 4.46Å; V105-F114 HydrophobicContact CB-CZ 4.37Å; V105-F114 HydrophobicContact CG1-CE1 3.93Å; V105-F114 HydrophobicContact CG1-CZ 3.66Å; M106-F114 HydrophobicContact SD-CE2 3.94Å; M106-F114 HydrophobicContact SD-CZ 3.97Å; F110-F114 HydrophobicContact CD1-CD2 4.25Å; F110-F114 HydrophobicContact CD1-CE1 4.32Å; F110-F114 AromaticContact CD1-CE2 3.5Å; F110-F114 HydrophobicContact CD1-CE2 3.5Å; F110-F114 VanDerWaalsContact CD1-CE2 3.5Å; F110-F114 AromaticContact CD1-CZ 3.54Å; F110-F114 HydrophobicContact CD1-CZ 3.54Å; F110-F114 HydrophobicContact CE1-CD1 4.42Å; F110-F114 AromaticContact CE1-CD2 3.71Å; F110-F114 HydrophobicContact CE1-CD2 3.71Å; F110-F114 HydrophobicContact CE1-CE1 4.19Å; F110-F114 AromaticContact CE1-CE2 3.43Å; F110-F114 HydrophobicContact CE1-CE2 3.43Å; F110-F114 VanDerWaalsContact CE1-CE2 3.43Å; F110-F114 HydrophobicContact CE1-CG 4.21Å; F110-F114 AromaticContact CE1-CZ 3.71Å; F110-F114 HydrophobicContact CE1-CZ 3.71Å; F114-I116 HydrophobicContact CB-CD1 4.24Å; F114-V128 HydrophobicContact CB-CG1 4.28Å; F114-V128 HydrophobicContact CD1-CG1 4.37Å; F114-V128 HydrophobicContact CD2-CG1 4.38Å; F114-V128 HydrophobicContact CG-CG1 4.1Å; F114-T132 HydrophobicContact CD2-CG2 4.05Å; F114-T132 HydrophobicContact CE2-CG2 3.52Å; F114-T132 HydrophobicContact CZ-CG2 4.02Å; F114-F134 HydrophobicContact CD2-CD2 4.06Å; F114-F134 HydrophobicContact CD2-CE2 4.09Å; F114-F134 HydrophobicContact CE2-CD2 4.14Å; F114-F134 AromaticContact CE2-CE2 3.83Å; F114-F134 HydrophobicContact CE2-CE2 3.83Å; F114-R138 PolarHBondContact N-O 2.72Å; F114-V139 HydrophobicContact CB-CG1 4.32Å; F114-V139 HydrophobicContact CB-CG2 4.41Å; F114-V139 HydrophobicContact CD2-CG2 4.37Å; F114-I140 PolarHBondContact O-N 3.24Å
115L97.5Very high93.6Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-115.4115.3168177.159.4000109.9L72 I73 V74 I75 I140 L236 I239L72-L115 HydrophobicContact CD1-CB 4.04Å; I73-L115 PolarHBondContact O-N 3.23Å; V74-L115 CarbonylContact C-O 3.53Å; V74-L115 VanDerWaalsContact CA-O 3.32Å; V74-L115 WeakPolarHBondContact CA-O 3.27Å; V74-L115 HydrophobicContact CG1-CB 4.45Å; V74-L115 HydrophobicContact CG1-CD2 4.32Å; V74-L115 HydrophobicContact CG1-CG 4.32Å; V74-L115 HydrophobicContact CG2-CB 4.21Å; V74-L115 HydrophobicContact CG2-CD2 4.27Å; I75-L115 PolarHBondContact N-O 3.34Å; L115-I140 CarbonylContact C-O 3.58Å; L115-I140 VanDerWaalsContact CA-O 3.25Å; L115-I140 WeakPolarHBondContact CA-O 3.34Å; L115-I140 HydrophobicContact CD1-CG2 4.36Å; L115-L236 HydrophobicContact CD1-CD2 4.32Å; L115-L236 HydrophobicContact CD2-CD2 3.79Å; L115-L236 HydrophobicContact CG-CD2 3.99Å; L115-I239 HydrophobicContact CD1-CD1 4.5Å; L115-I239 HydrophobicContact CD1-CG2 3.91Å; L115-I239 HydrophobicContact CD2-CB 4.34Å; L115-I239 HydrophobicContact CD2-CG2 3.94Å
116I96.5Very high93.1Very high0 Ų034.8 Ų34.80%019%0.193CC..EExtended strand (participates in β ladder)trans-100.2125.3-175.3-48.8-52.9000109.8I75 F114 V121 L124 V128 I140 G141 S142I75-I116 HydrophobicContact CB-CD1 4Å; I75-I116 HydrophobicContact CD1-CD1 3.78Å; I75-I116 HydrophobicContact CG1-CD1 4Å; F114-I116 HydrophobicContact CB-CD1 4.24Å; I116-V121 HydrophobicContact CG2-CG2 4.45Å; I116-V121 WeakPolarHBondContact O-CG2 3.37Å; I116-L124 HydrophobicContact CG2-CB 4.27Å; I116-V128 HydrophobicContact CD1-CB 4.33Å; I116-V128 HydrophobicContact CD1-CG1 4.23Å; I116-V128 HydrophobicContact CD1-CG2 3.79Å; I116-V128 HydrophobicContact CG1-CB 4.47Å; I116-V128 HydrophobicContact CG1-CG2 4.14Å; I116-I140 PolarHBondContact N-O 3.08Å; I116-G141 CarbonylContact O-C 3.5Å; I116-G141 WeakPolarHBondContact O-CA 3.41Å; I116-S142 PolarHBondContact O-N 3.12Å
117A96.7Very high92.7Very high11 Ų1135.6 Ų35.69%0.09119%0.194CC..  trans-115.6-14.4172.800000112.5I75 T76 L236I75-A117 PolarHBondContact O-N 3.22Å; T76-A117 HydrophobicContact CG2-CB 4.21Å; A117-L236 HydrophobicContact CB-CD1 3.74Å; A117-L236 HydrophobicContact CB-CD2 3.94Å; A117-L236 HydrophobicContact CB-CG 4.42Å
118S93.3Very high92.4Very high5 Ų532.4 Ų32.44%0.03517%0.168CC..SBendtrans-64.9136.1179.2-53.60000111.4I75 A77 V121 L124I75-S118 PolarHBondContact O-N 3.27Å; I75-S118 PolarHBondContact O-OG 3.05Å; A77-S118 WeakPolarHBondContact O-CB 3.36Å; A77-S118 PolarHBondContact O-OG 3.36Å; S118-V121 WeakPolarHBondContact O-CA 3.44Å; S118-V121 PolarHBondContact O-N 3.12Å; S118-L124 WeakPolarHBondContact O-CD1 3.21Å
119N89.1Confident92.1Very high76 Ų7631.1 Ų31.141%0.40616%0.161SC..SBendtrans-92.7147.5-177.2-83.4-41.4000113.7N94 V121 L124 H174N94-N119 PolarHBondContact ND2-O 3.07Å; N119-V121 PolarHBondContact OD1-N 3.03Å; N119-L124 VanDerWaalsContact O-CD1 3.26Å; N119-L124 WeakPolarHBondContact O-CD1 3.35Å; N119-H174 PolarHBondContact OD1-CD2 3.29Å
120P87.6Confident91.9Very high27 Ų2729.1 Ų29.118%0.17515%0.15CC..SBendcis-74.9118.5-328.5-32.6000112.3V91 D122 V123 L124V91-P120 HydrophobicContact CB-CG 4.47Å; V91-P120 HydrophobicContact CG1-CG 4.42Å; V91-P120 HydrophobicContact CG2-CG 3.59Å; P120-D122 PolarHBondContact O-N 3.08Å; P120-V123 HydrophobicContact CG-CB 4.12Å; P120-V123 HydrophobicContact CG-CG2 4.35Å; P120-V123 PolarHBondContact O-N 3.28Å; P120-L124 WeakPolarHBondContact O-CB 3.43Å; P120-L124 VanDerWaalsContact O-CG 3.27Å; P120-L124 WeakPolarHBondContact O-CG 3.28Å; P120-L124 PolarHBondContact O-N 3.2Å
121V89.5Confident91.8Very high1 Ų131.6 Ų31.61%0.00616%0.164CC..Hα-helixtrans-63.6-40-163.8620000113.4I116 S118 N119 L124 T125 H174I116-V121 HydrophobicContact CG2-CG2 4.45Å; I116-V121 WeakPolarHBondContact O-CG2 3.37Å; S118-V121 WeakPolarHBondContact O-CA 3.44Å; S118-V121 PolarHBondContact O-N 3.12Å; N119-V121 PolarHBondContact OD1-N 3.03Å; V121-L124 PolarHBondContact O-N 3.38Å; V121-T125 VanDerWaalsContact O-CB 3.23Å; V121-T125 WeakPolarHBondContact O-CB 3.43Å; V121-T125 PolarHBondContact O-N 3.22Å; V121-T125 PolarHBondContact O-OG1 3.41Å; V121-H174 HydrophobicContact CG1-CB 3.72Å
122D86.2Confident91.8Very high6 Ų627.6 Ų27.63%0.03214%0.143CC..Hα-helixtrans-63.7-50.4-179.5-62-72000111.7P120 L124 T125 H126 H174 S254 A268 A269 G270P120-D122 PolarHBondContact O-N 3.08Å; D122-L124 PolarHBondContact O-N 2.9Å; D122-T125 PolarHBondContact O-N 2.93Å; D122-H126 PolarHBondContact O-N 2.92Å; D122-H126 VanDerWaalsContact O-N 3.07Å; D122-H174 PolarHBondContact OD2-N 2.91Å; D122-S254 VanDerWaalsContact OD1-CB 3.28Å; D122-S254 WeakPolarHBondContact OD1-CB 3.5Å; D122-S254 PolarHBondContact OD1-OG 3.23Å; D122-A268 WeakPolarHBondContact O-CB 3.32Å; D122-A269 WeakPolarHBondContact OD1-CA 3.38Å; D122-G270 PolarHBondContact OD1-N 2.66Å; D122-G270 VanDerWaalsContact OD1-N 3.12Å
123V85.6Confident91.7Very high69 Ų6930.1 Ų30.142%0.41817%0.169SC..Hα-helixtrans-63.1-43.4178.9178.50000111.1V91 P120 H126 Y127V91-V123 HydrophobicContact CG1-CG1 4.18Å; P120-V123 HydrophobicContact CG-CB 4.12Å; P120-V123 HydrophobicContact CG-CG2 4.35Å; P120-V123 PolarHBondContact O-N 3.28Å; V123-H126 PolarHBondContact O-N 3.37Å; V123-Y127 WeakPolarHBondContact O-CB 3.42Å; V123-Y127 PolarHBondContact O-N 2.83Å
124L88.2Confident91.6Very high1 Ų129.5 Ų29.51%0.00517%0.165CC..Hα-helixtrans-71.9-32.9-178.4-66.3175.4000112N94 A95 I98 I116 S118 N119 P120 V121 D122 Y127 V128N94-L124 HydrophobicContact CB-CD1 3.99Å; A95-L124 HydrophobicContact CB-CD2 4.25Å; I98-L124 HydrophobicContact CD1-CB 3.73Å; I98-L124 HydrophobicContact CD1-CD1 3.61Å; I98-L124 HydrophobicContact CD1-CD2 3.91Å; I98-L124 HydrophobicContact CD1-CG 3.92Å; I116-L124 HydrophobicContact CG2-CB 4.27Å; S118-L124 WeakPolarHBondContact O-CD1 3.21Å; N119-L124 VanDerWaalsContact O-CD1 3.26Å; N119-L124 WeakPolarHBondContact O-CD1 3.35Å; P120-L124 WeakPolarHBondContact O-CB 3.43Å; P120-L124 VanDerWaalsContact O-CG 3.27Å; P120-L124 WeakPolarHBondContact O-CG 3.28Å; P120-L124 PolarHBondContact O-N 3.2Å; V121-L124 PolarHBondContact O-N 3.38Å; D122-L124 PolarHBondContact O-N 2.9Å; L124-Y127 PolarHBondContact O-N 3.39Å; L124-V128 VanDerWaalsContact O-CG2 3.23Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.34Å
125T88.2Confident91.1Very high2 Ų232.8 Ų32.81%0.01219%0.186CC..Hα-helixtrans-62-48.3171.6-59.60000111V121 D122 Y127 V128 K129 V139 G141V121-T125 VanDerWaalsContact O-CB 3.23Å; V121-T125 WeakPolarHBondContact O-CB 3.43Å; V121-T125 PolarHBondContact O-N 3.22Å; V121-T125 PolarHBondContact O-OG1 3.41Å; D122-T125 PolarHBondContact O-N 2.93Å; T125-Y127 VanDerWaalsContact C-N 3.28Å; T125-Y127 PolarHBondContact O-N 3.41Å; T125-V128 PolarHBondContact O-N 3.19Å; T125-K129 PolarHBondContact O-N 3.44Å; T125-V139 HydrophobicContact CG2-CG1 4.06Å; T125-G141 WeakPolarHBondContact OG1-CA 3.27Å
126H86.6Confident90.3Very high26 Ų2633.7 Ų33.712%0.1219%0.194CC..Hα-helixtrans-58.7-42.5174.5177.289.7000111.6D122 V123 K129 K130 H256 D266 A268D122-H126 PolarHBondContact O-N 2.92Å; D122-H126 VanDerWaalsContact O-N 3.07Å; V123-H126 PolarHBondContact O-N 3.37Å; H126-K129 PolarHBondContact O-N 3.42Å; H126-K130 VanDerWaalsContact NE2-CD 3.31Å; H126-K130 WeakPolarHBondContact NE2-CD 3.27Å; H126-K130 WeakPolarHBondContact NE2-CE 3.22Å; H126-K130 PolarHBondContact NE2-NZ 3.48Å; H126-K130 PolarHBondContact O-N 3.21Å; H126-H256 AromaticContact CE1-CE1 3.62Å; H126-H256 AromaticContact CE1-ND1 3.92Å; H126-H256 AromaticContact ND1-CE1 3.53Å; H126-H256 AromaticContact ND1-ND1 3.36Å; H126-H256 PolarHBondContact ND1-ND1 3.1Å; H126-D266 VanDerWaalsContact CE1-C 3.46Å; H126-D266 PolarHBondContact CE1-O 3.37Å; H126-D266 PolarHBondContact ND1-O 2.96Å; H126-A268 HydrophobicContact CB-CB 3.85Å
127Y89.9Confident89.8Confident69 Ų6939.1 Ų39.127%0.27122%0.223SC..Hα-helixtrans-65.5-42.3179.3-175-125.3000112.6A95 I98 K99 V123 L124 T125 K129 K130 L131A95-Y127 HydrophobicContact CB-CD1 4.14Å; A95-Y127 HydrophobicContact CB-CE1 3.88Å; A95-Y127 VanDerWaalsContact O-CE1 3.32Å; A95-Y127 WeakPolarHBondContact O-CE1 3.29Å; I98-Y127 HydrophobicContact CG2-CD1 4.23Å; K99-Y127 HydrophobicContact CB-CE1 4.21Å; V123-Y127 WeakPolarHBondContact O-CB 3.42Å; V123-Y127 PolarHBondContact O-N 2.83Å; L124-Y127 PolarHBondContact O-N 3.39Å; T125-Y127 VanDerWaalsContact C-N 3.28Å; T125-Y127 PolarHBondContact O-N 3.41Å; Y127-K129 VanDerWaalsContact C-N 3.34Å; Y127-K129 PolarHBondContact O-N 3.14Å; Y127-K130 PolarHBondContact O-N 3.23Å; Y127-L131 HydrophobicContact CD1-CD1 3.86Å; Y127-L131 HydrophobicContact CD1-CG 4.47Å; Y127-L131 HydrophobicContact CD2-CG 4.37Å; Y127-L131 HydrophobicContact CE1-CD1 3.5Å; Y127-L131 VanDerWaalsContact CE1-CD1 3.5Å; Y127-L131 HydrophobicContact CE1-CG 4.18Å; Y127-L131 HydrophobicContact CE2-CD1 4.3Å; Y127-L131 HydrophobicContact CE2-CD2 4.12Å; Y127-L131 HydrophobicContact CE2-CG 4.07Å; Y127-L131 HydrophobicContact CG-CD1 4.4Å; Y127-L131 WeakPolarHBondContact O-CG 3.41Å; Y127-L131 PolarHBondContact O-N 3.01Å
128V92.4Very high89.6Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-60.2-44.3174173.50000110.7I98 V102 F114 I116 L124 T125 K130 L131 T132 V139I98-V128 HydrophobicContact CG2-CG2 3.5Å; V102-V128 HydrophobicContact CG2-CG1 4.11Å; V102-V128 HydrophobicContact CG2-CG2 4.01Å; F114-V128 HydrophobicContact CB-CG1 4.28Å; F114-V128 HydrophobicContact CD1-CG1 4.37Å; F114-V128 HydrophobicContact CD2-CG1 4.38Å; F114-V128 HydrophobicContact CG-CG1 4.1Å; I116-V128 HydrophobicContact CD1-CB 4.33Å; I116-V128 HydrophobicContact CD1-CG1 4.23Å; I116-V128 HydrophobicContact CD1-CG2 3.79Å; I116-V128 HydrophobicContact CG1-CB 4.47Å; I116-V128 HydrophobicContact CG1-CG2 4.14Å; L124-V128 VanDerWaalsContact O-CG2 3.23Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.34Å; T125-V128 PolarHBondContact O-N 3.19Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 3.46Å; V128-L131 PolarHBondContact O-N 3.38Å; V128-L131 VanDerWaalsContact O-N 3.08Å; V128-T132 HydrophobicContact CG1-CG2 3.99Å; V128-T132 WeakPolarHBondContact O-CG2 3.19Å; V128-T132 PolarHBondContact O-N 3.34Å; V128-T132 PolarHBondContact O-OG1 3.47Å; V128-T132 VanDerWaalsContact O-OG1 3.09Å; V128-V139 HydrophobicContact CB-CG1 3.89Å; V128-V139 HydrophobicContact CG1-CG1 3.69Å; V128-V139 HydrophobicContact CG1-CG2 4.42Å
129K90.7Very high89.5Confident42 Ų4242.2 Ų42.218%0.18323%0.232CC..Hα-helixtrans-57-42.8175.6-175-109.3-176.6179.10111.8T125 H126 Y127 G133 V139 H256T125-K129 PolarHBondContact O-N 3.44Å; H126-K129 PolarHBondContact O-N 3.42Å; Y127-K129 VanDerWaalsContact C-N 3.34Å; Y127-K129 PolarHBondContact O-N 3.14Å; K129-G133 PolarHBondContact O-N 3.42Å; K129-G133 VanDerWaalsContact O-N 3.09Å; K129-V139 HydrophobicContact CB-CB 4.16Å; K129-V139 HydrophobicContact CB-CG1 4.19Å; K129-V139 HydrophobicContact CB-CG2 4.32Å; K129-H256 HydrophobicContact CD-CB 4.47Å; K129-H256 PolarHBondContact NZ-CD2 3.33Å; K129-H256 VanDerWaalsContact NZ-CD2 3.28Å; K129-H256 PolarHBondContact NZ-CE1 3.47Å; K129-H256 PolarHBondContact NZ-NE2 2.94Å
130K91.7Very high89.6Confident120 Ų12039.8 Ų39.852%0.52222%0.218SC..Hα-helixtrans-66.4-37.6174.8-79.4-173.1166.9162.20113.1H126 Y127 V128H126-K130 VanDerWaalsContact NE2-CD 3.31Å; H126-K130 WeakPolarHBondContact NE2-CD 3.27Å; H126-K130 WeakPolarHBondContact NE2-CE 3.22Å; H126-K130 PolarHBondContact NE2-NZ 3.48Å; H126-K130 PolarHBondContact O-N 3.21Å; Y127-K130 PolarHBondContact O-N 3.23Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 3.46Å
131L94.2Very high89.9Confident56 Ų5638.5 Ų38.529%0.29321%0.21SC..Hα-helixtrans-72.5-39.6-179.8-73.2176.1000113.4I98 K99 V102 Y127 V128I98-L131 HydrophobicContact CG2-CD1 4.48Å; K99-L131 HydrophobicContact CB-CD1 4.08Å; K99-L131 HydrophobicContact CG-CD1 4.19Å; K99-L131 HydrophobicContact CG-CD2 4.07Å; V102-L131 HydrophobicContact CB-CD1 4.32Å; V102-L131 HydrophobicContact CG1-CB 3.97Å; V102-L131 HydrophobicContact CG1-CD1 4.44Å; Y127-L131 HydrophobicContact CD1-CD1 3.86Å; Y127-L131 HydrophobicContact CD1-CG 4.47Å; Y127-L131 HydrophobicContact CD2-CG 4.37Å; Y127-L131 HydrophobicContact CE1-CD1 3.5Å; Y127-L131 VanDerWaalsContact CE1-CD1 3.5Å; Y127-L131 HydrophobicContact CE1-CG 4.18Å; Y127-L131 HydrophobicContact CE2-CD1 4.3Å; Y127-L131 HydrophobicContact CE2-CD2 4.12Å; Y127-L131 HydrophobicContact CE2-CG 4.07Å; Y127-L131 HydrophobicContact CG-CD1 4.4Å; Y127-L131 WeakPolarHBondContact O-CG 3.41Å; Y127-L131 PolarHBondContact O-N 3.01Å; V128-L131 PolarHBondContact O-N 3.38Å; V128-L131 VanDerWaalsContact O-N 3.08Å
132T95.7Very high90.1Very high19 Ų1938.7 Ų38.712%0.11721%0.211CC..Hα-helixtrans-83.3-28.1-177.359.80000112.5V102 M106 F114 V128 F134V102-T132 HydrophobicContact CG1-CG2 3.52Å; M106-T132 HydrophobicContact CG-CG2 4.17Å; M106-T132 HydrophobicContact SD-CG2 4.04Å; F114-T132 HydrophobicContact CD2-CG2 4.05Å; F114-T132 HydrophobicContact CE2-CG2 3.52Å; F114-T132 HydrophobicContact CZ-CG2 4.02Å; V128-T132 HydrophobicContact CG1-CG2 3.99Å; V128-T132 WeakPolarHBondContact O-CG2 3.19Å; V128-T132 PolarHBondContact O-N 3.34Å; V128-T132 PolarHBondContact O-OG1 3.47Å; V128-T132 VanDerWaalsContact O-OG1 3.09Å; T132-F134 PolarHBondContact O-N 3.22Å; T132-F134 WeakPolarHBondContact OG1-CB 3.4Å; T132-F134 PolarHBondContact OG1-N 2.63Å
133G93.1Very high90.3Very high65 Ų6538.4 Ų38.467%0.6721%0.21SC*.  trans6812-169.500000113.3K129K129-G133 PolarHBondContact O-N 3.42Å; K129-G133 VanDerWaalsContact O-N 3.09Å
134F92.7Very high90.6Very high25 Ų2535.1 Ų35.111%0.1119%0.19CC..  trans-67.2154.8178.2-81.811.6000111.6M106 F110 F114 T132 R138 V139M106-F134 HydrophobicContact CE-CD1 4.36Å; M106-F134 HydrophobicContact CE-CE1 3.44Å; M106-F134 VanDerWaalsContact CE-CE1 3.44Å; M106-F134 HydrophobicContact CE-CZ 3.67Å; M106-F134 HydrophobicContact SD-CE1 4.23Å; M106-F134 HydrophobicContact SD-CZ 3.98Å; F110-F134 HydrophobicContact CD1-CE2 4.19Å; F110-F134 HydrophobicContact CD1-CZ 4.45Å; F110-F134 HydrophobicContact CE1-CE2 4.18Å; F110-F134 WeakPolarHBondContact O-CZ 3.32Å; F114-F134 HydrophobicContact CD2-CD2 4.06Å; F114-F134 HydrophobicContact CD2-CE2 4.09Å; F114-F134 HydrophobicContact CE2-CD2 4.14Å; F114-F134 AromaticContact CE2-CE2 3.83Å; F114-F134 HydrophobicContact CE2-CE2 3.83Å; T132-F134 PolarHBondContact O-N 3.22Å; T132-F134 WeakPolarHBondContact OG1-CB 3.4Å; T132-F134 PolarHBondContact OG1-N 2.63Å; F134-R138 HydrophobicContact CB-CB 4.24Å; F134-R138 HydrophobicContact CD2-CB 3.98Å; F134-V139 HydrophobicContact CB-CG2 3.96Å
135P88.4Confident90.9Very high68 Ų6835.7 Ų35.744%0.44219%0.194SC..  trans-61.2150.4170.830-37000110.3N137 R138P135-N137 VanDerWaalsContact CB-OD1 3.29Å; P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 WeakPolarHBondContact CG-OD1 3.43Å; P135-N137 PolarHBondContact O-N 3.28Å; P135-N137 VanDerWaalsContact O-N 3.09Å; P135-R138 HydrophobicContact CG-CB 4.22Å; P135-R138 HydrophobicContact CG-CG 4Å; P135-R138 PolarHBondContact O-N 3.29Å
136A80.4Confident91.3Very high19 Ų1936.3 Ų36.316%0.15720%0.197CC..G310 helixtrans-53.1-34.7-174.400000113.6R138 V139 H256A136-R138 PolarHBondContact O-N 2.95Å; A136-V139 PolarHBondContact O-N 3.29Å; A136-H256 HydrophobicContact CB-CB 3.85Å
137N86.1Confident91.7Very high115 Ų11535.2 Ų35.262%0.61519%0.192SC*.G310 helixtrans-72.7-6179.969.4-35.1000114.6P135P135-N137 VanDerWaalsContact CB-OD1 3.29Å; P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 WeakPolarHBondContact CG-OD1 3.43Å; P135-N137 PolarHBondContact O-N 3.28Å; P135-N137 VanDerWaalsContact O-N 3.09Å
138R91.4Very high92Very high79 Ų7932.1 Ų32.130%0.29818%0.181SC..G310 helixtrans-106.71.9177.7-74.3-174.6157-162.9-14.2114.1N111 I113 F114 F134 P135 A136N111-R138 PolarHBondContact O-NH1 2.91Å; N111-R138 PolarHBondContact O-NH2 3.06Å; N111-R138 PolarHBondContact OD1-NH1 3.27Å; I113-R138 WeakPolarHBondContact CA-O 3.46Å; I113-R138 HydrophobicContact CG1-CG 4.34Å; F114-R138 PolarHBondContact N-O 2.72Å; F134-R138 HydrophobicContact CB-CB 4.24Å; F134-R138 HydrophobicContact CD2-CB 3.98Å; P135-R138 HydrophobicContact CG-CB 4.22Å; P135-R138 HydrophobicContact CG-CG 4Å; P135-R138 PolarHBondContact O-N 3.29Å; A136-R138 PolarHBondContact O-N 2.95Å
139V91.2Very high92.2Very high2 Ų233.9 Ų33.91%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-131.2104.6175.1-1750000108.5F114 T125 V128 K129 F134 A136F114-V139 HydrophobicContact CB-CG1 4.32Å; F114-V139 HydrophobicContact CB-CG2 4.41Å; F114-V139 HydrophobicContact CD2-CG2 4.37Å; T125-V139 HydrophobicContact CG2-CG1 4.06Å; V128-V139 HydrophobicContact CB-CG1 3.89Å; V128-V139 HydrophobicContact CG1-CG1 3.69Å; V128-V139 HydrophobicContact CG1-CG2 4.42Å; K129-V139 HydrophobicContact CB-CB 4.16Å; K129-V139 HydrophobicContact CB-CG1 4.19Å; K129-V139 HydrophobicContact CB-CG2 4.32Å; F134-V139 HydrophobicContact CB-CG2 3.96Å; A136-V139 PolarHBondContact O-N 3.29Å
140I92.1Very high92.6Very high24 Ų2433.6 Ų33.612%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-119.2139.4-173.9-56.1171.8000108.2I113 F114 L115 I116 I243 V253I113-I140 HydrophobicContact CG2-CD1 4.27Å; F114-I140 PolarHBondContact O-N 3.24Å; L115-I140 CarbonylContact C-O 3.58Å; L115-I140 VanDerWaalsContact CA-O 3.25Å; L115-I140 WeakPolarHBondContact CA-O 3.34Å; L115-I140 HydrophobicContact CD1-CG2 4.36Å; I116-I140 PolarHBondContact N-O 3.08Å; I140-I243 HydrophobicContact CD1-CD1 4.39Å; I140-V253 HydrophobicContact CG2-CB 3.64Å; I140-V253 HydrophobicContact CG2-CG1 4.16Å; I140-V253 HydrophobicContact CG2-CG2 3.7Å
141G93.7Very high92.8Very high0 Ų027.9 Ų27.90%017%0.168CC..EExtended strand (participates in β ladder)trans-105.4153.5169.200000111.3I116 T125 G143 V253 S254I116-G141 CarbonylContact O-C 3.5Å; I116-G141 WeakPolarHBondContact O-CA 3.41Å; T125-G141 WeakPolarHBondContact OG1-CA 3.27Å; G141-G143 PolarHBondContact O-N 2.8Å; G141-V253 CarbonylContact O-C 3.55Å; G141-V253 VanDerWaalsContact O-CB 3.26Å; G141-V253 WeakPolarHBondContact O-CB 3.31Å; G141-S254 PolarHBondContact N-O 3.43Å; G141-S254 PolarHBondContact O-N 3.06Å
142S94.3Very high93Very high5 Ų528.8 Ų28.84%0.03517%0.168CC..  trans-59.5-31.2176.761.40000112.4I116 T144 S145I116-S142 PolarHBondContact O-N 3.12Å; S142-T144 PolarHBondContact O-N 2.56Å; S142-S145 VanDerWaalsContact O-CB 3.23Å; S142-S145 WeakPolarHBondContact O-CB 3.49Å; S142-S145 PolarHBondContact O-N 2.89Å; S142-S145 PolarHBondContact O-OG 2.87Å
143G90.1Very high93Very high1 Ų130.8 Ų30.81%0.0118%0.183CC..THydrogen-bonded Turntrans49.7-135176.100000113G141 S145 S254G141-G143 PolarHBondContact O-N 2.8Å; G143-S145 PolarHBondContact O-N 3.34Å; G143-S254 WeakPolarHBondContact CA-OG 3.46Å; G143-S254 PolarHBondContact N-OG 3.11Å
144T92.3Very high93.2Very high0 Ų028.8 Ų28.80%016%0.16CC..THydrogen-bonded Turntrans-87.320.2-176.255.10000113.9S142 D147 S148 I170 P252S142-T144 PolarHBondContact O-N 2.56Å; T144-D147 WeakPolarHBondContact CA-OD2 3.43Å; T144-D147 PolarHBondContact O-N 3.39Å; T144-S148 VanDerWaalsContact O-CB 3.32Å; T144-S148 WeakPolarHBondContact O-CB 3.41Å; T144-S148 PolarHBondContact O-N 3.32Å; T144-S148 PolarHBondContact O-OG 2.84Å; T144-I170 WeakPolarHBondContact CB-O 3.5Å; T144-I170 HydrophobicContact CG2-CG2 4.07Å; T144-I170 PolarHBondContact OG1-O 2.83Å; T144-P252 CarbonylContact C-O 3.59Å; T144-P252 PolarHBondContact N-O 3.47Å
145S94.3Very high93.4Very high13 Ų1327.6 Ų27.69%0.09115%0.154CC..Hα-helixtrans-62-47177.456.10000112.2S142 G143 A149 P252S142-S145 VanDerWaalsContact O-CB 3.23Å; S142-S145 WeakPolarHBondContact O-CB 3.49Å; S142-S145 PolarHBondContact O-N 2.89Å; S142-S145 PolarHBondContact O-OG 2.87Å; G143-S145 PolarHBondContact O-N 3.34Å; S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.26Å; S145-P252 WeakPolarHBondContact CA-O 3.24Å; S145-P252 PolarHBondContact N-O 3.24Å
146L97Very high93.8Very high14 Ų1424.5 Ų24.57%0.07314%0.135CC..Hα-helixtrans-68.2-41.6176.1176.958.2000111.7S148 A149 R150 G231 I232L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 2.89Å; L146-A149 WeakPolarHBondContact O-CB 3.47Å; L146-A149 PolarHBondContact O-N 2.96Å; L146-R150 HydrophobicContact CD1-CG 4.16Å; L146-R150 HydrophobicContact CG-CG 4.36Å; L146-R150 WeakPolarHBondContact O-CB 2.97Å; L146-R150 WeakPolarHBondContact O-CG 3.19Å; L146-R150 PolarHBondContact O-N 2.85Å; L146-G231 VanDerWaalsContact CD1-C 3.5Å; L146-I232 HydrophobicContact CD2-CB 3.97Å
147D95.1Very high94.5Very high3 Ų331.3 Ų31.32%0.01616%0.164CC..Hα-helixtrans-64.8-41.7-178.5-50.6-77.7000110.9T144 A149 R150 L151 I170 H174 Q178T144-D147 WeakPolarHBondContact CA-OD2 3.43Å; T144-D147 PolarHBondContact O-N 3.39Å; D147-A149 PolarHBondContact O-N 2.92Å; D147-R150 PolarHBondContact O-N 2.71Å; D147-R150 IonicContact OD1-NH1 3.88Å; D147-L151 PolarHBondContact O-N 3.47Å; D147-I170 HydrophobicContact CB-CB 4.11Å; D147-I170 HydrophobicContact CB-CD1 3.88Å; D147-I170 HydrophobicContact CB-CG2 3.98Å; D147-I170 WeakPolarHBondContact O-CD1 3.44Å; D147-H174 IonicContact OD1-CE1 3.86Å; D147-H174 IonicContact OD1-ND1 2.68Å; D147-H174 IonicContact OD2-CE1 3.32Å; D147-H174 PolarHBondContact OD2-CE1 3.25Å; D147-H174 IonicContact OD2-CG 2.83Å; D147-H174 IonicContact OD2-ND1 3.22Å; D147-H174 PolarHBondContact OD2-ND1 3Å; D147-Q178 PolarHBondContact OD1-OE1 2.98Å
148S95.5Very high94.9Very high4 Ų429.5 Ų29.53%0.02815%0.15CC..Hα-helixtrans-62.6-42.7172.5-57.60000111.5T144 L146 L151 R152 I170 P252T144-S148 VanDerWaalsContact O-CB 3.32Å; T144-S148 WeakPolarHBondContact O-CB 3.41Å; T144-S148 PolarHBondContact O-N 3.32Å; T144-S148 PolarHBondContact O-OG 2.84Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 2.89Å; S148-L151 PolarHBondContact O-N 3.15Å; S148-R152 VanDerWaalsContact O-CG 3.23Å; S148-R152 WeakPolarHBondContact O-CG 3.47Å; S148-R152 PolarHBondContact O-N 3.46Å; S148-I170 PolarHBondContact OG-N 2.85Å; S148-I170 PolarHBondContact OG-O 3.36Å; S148-P252 VanDerWaalsContact OG-CG 3.29Å; S148-P252 WeakPolarHBondContact OG-CG 3.35Å
149A97.2Very high95Very high37 Ų3726.4 Ų26.431%0.30614%0.139SC..Hα-helixtrans-62.7-42.3175.800000112.2S145 L146 D147 R152 S153S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.26Å; L146-A149 WeakPolarHBondContact O-CB 3.47Å; L146-A149 PolarHBondContact O-N 2.96Å; D147-A149 PolarHBondContact O-N 2.92Å; A149-R152 PolarHBondContact O-N 2.64Å; A149-S153 PolarHBondContact O-N 3.15Å; A149-S153 PolarHBondContact O-OG 2.81Å
150R97.2Very high95.2Very high37 Ų3735 Ų3514%0.1418%0.179CC..Hα-helixtrans-60.1-45.6174.8-76.9171.5170.1156.5-4.1111.5L146 D147 S153 A154 V214L146-R150 HydrophobicContact CD1-CG 4.16Å; L146-R150 HydrophobicContact CG-CG 4.36Å; L146-R150 WeakPolarHBondContact O-CB 2.97Å; L146-R150 WeakPolarHBondContact O-CG 3.19Å; L146-R150 PolarHBondContact O-N 2.85Å; D147-R150 PolarHBondContact O-N 2.71Å; D147-R150 IonicContact OD1-NH1 3.88Å; R150-S153 PolarHBondContact O-N 2.95Å; R150-A154 WeakPolarHBondContact O-CB 3.23Å; R150-A154 PolarHBondContact O-N 3.42Å; R150-V214 HydrophobicContact CB-CG1 3.74Å; R150-V214 HydrophobicContact CB-CG2 4.25Å
151L96.9Very high95.4Very high0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-63.9-42.1178.4-174.659.2000112D147 S148 S153 A154 I155 I168 I170 P180 W182 L210 V214D147-L151 PolarHBondContact O-N 3.47Å; S148-L151 PolarHBondContact O-N 3.15Å; L151-S153 VanDerWaalsContact C-N 3.35Å; L151-S153 PolarHBondContact O-N 2.67Å; L151-A154 PolarHBondContact O-N 2.94Å; L151-I155 HydrophobicContact CD1-CD1 4.09Å; L151-I155 HydrophobicContact CD1-CG1 4.29Å; L151-I155 HydrophobicContact CG-CD1 3.95Å; L151-I155 WeakPolarHBondContact O-CB 3.16Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.49Å; L151-I155 PolarHBondContact O-N 3.44Å; L151-I168 HydrophobicContact CB-CG2 4.44Å; L151-I168 HydrophobicContact CD2-CD1 3.74Å; L151-I168 HydrophobicContact CD2-CG1 3.99Å; L151-I168 HydrophobicContact CD2-CG2 3.91Å; L151-I168 HydrophobicContact CG-CG2 3.94Å; L151-I170 HydrophobicContact CB-CD1 4Å; L151-I170 HydrophobicContact CB-CG1 4.28Å; L151-I170 HydrophobicContact CD2-CD1 4.01Å; L151-I170 HydrophobicContact CD2-CG1 3.72Å; L151-P180 HydrophobicContact CD2-CB 3.76Å; L151-W182 HydrophobicContact CD1-CH2 4.03Å; L151-W182 HydrophobicContact CD2-CH2 4.42Å; L151-L210 HydrophobicContact CD1-CB 4.49Å; L151-V214 HydrophobicContact CB-CG1 4.31Å; L151-V214 HydrophobicContact CB-CG2 4.23Å; L151-V214 HydrophobicContact CD1-CG2 4.08Å
152R97.3Very high95.5Very high74 Ų7438.3 Ų38.328%0.27920%0.197SC..Hα-helixtrans-60.2-44.5173.9-6917065.6168.714.3111.9S148 A149 G156 P163 R164 V166 I168S148-R152 VanDerWaalsContact O-CG 3.23Å; S148-R152 WeakPolarHBondContact O-CG 3.47Å; S148-R152 PolarHBondContact O-N 3.46Å; A149-R152 PolarHBondContact O-N 2.64Å; R152-G156 PolarHBondContact O-N 3.28Å; R152-P163 HydrophobicContact CB-CB 4.46Å; R152-P163 PolarHBondContact NE-O 3.22Å; R152-P163 VanDerWaalsContact NE-O 3.08Å; R152-P163 PolarHBondContact NH2-O 3.43Å; R152-R164 PolarHBondContact NH2-O 3.5Å; R152-R164 VanDerWaalsContact NH2-O 3.08Å; R152-V166 HydrophobicContact CB-CB 4.39Å; R152-V166 HydrophobicContact CB-CG1 4.45Å; R152-V166 HydrophobicContact CG-CB 4.46Å; R152-V166 HydrophobicContact CG-CG1 4.29Å; R152-V166 WeakPolarHBondContact CG-O 3.32Å; R152-V166 VanDerWaalsContact CZ-O 3.3Å; R152-V166 PolarHBondContact NE-O 3.46Å; R152-V166 PolarHBondContact NH2-O 2.83Å; R152-I168 HydrophobicContact CG-CG2 3.85Å
153S97.3Very high95.7Very high62 Ų6240.2 Ų40.243%0.43421%0.209SC..Hα-helixtrans-63.5-44.7176.4-70.80000112.5A149 R150 L151 G156 E157A149-S153 PolarHBondContact O-N 3.15Å; A149-S153 PolarHBondContact O-OG 2.81Å; R150-S153 PolarHBondContact O-N 2.95Å; L151-S153 VanDerWaalsContact C-N 3.35Å; L151-S153 PolarHBondContact O-N 2.67Å; S153-G156 PolarHBondContact O-N 3.25Å; S153-E157 PolarHBondContact O-N 3.45Å
154A96.8Very high96Very high22 Ų2249 Ų4918%0.18224%0.242CC..Hα-helixtrans-66.2-40.7-17900000112R150 L151 E157 K158 L210 V214R150-A154 WeakPolarHBondContact O-CB 3.23Å; R150-A154 PolarHBondContact O-N 3.42Å; L151-A154 PolarHBondContact O-N 2.94Å; A154-E157 PolarHBondContact O-N 2.81Å; A154-K158 WeakPolarHBondContact O-CB 3.45Å; A154-K158 PolarHBondContact O-N 2.88Å; A154-L210 HydrophobicContact CB-CD2 3.86Å; A154-V214 HydrophobicContact CB-CG2 4.02Å
155I96.2Very high96.2Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-63.2-46.1171.5-69.4169.3000110.3L151 E157 K158 F159 V166 I168 W182 I187 I192 L210L151-I155 HydrophobicContact CD1-CD1 4.09Å; L151-I155 HydrophobicContact CD1-CG1 4.29Å; L151-I155 HydrophobicContact CG-CD1 3.95Å; L151-I155 WeakPolarHBondContact O-CB 3.16Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.49Å; L151-I155 PolarHBondContact O-N 3.44Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 2.88Å; I155-K158 PolarHBondContact O-N 3.42Å; I155-F159 HydrophobicContact CG2-CD2 3.5Å; I155-F159 VanDerWaalsContact CG2-CD2 3.5Å; I155-F159 HydrophobicContact CG2-CE2 3.73Å; I155-F159 HydrophobicContact CG2-CG 4.41Å; I155-F159 WeakPolarHBondContact O-CB 3.3Å; I155-F159 PolarHBondContact O-N 3.35Å; I155-V166 HydrophobicContact CB-CG1 4.07Å; I155-V166 HydrophobicContact CD1-CG1 4.07Å; I155-V166 HydrophobicContact CG2-CG1 3.76Å; I155-V166 HydrophobicContact CG2-CG2 3.94Å; I155-I168 HydrophobicContact CD1-CD1 4.33Å; I155-I168 HydrophobicContact CD1-CG2 3.98Å; I155-W182 HydrophobicContact CD1-CZ3 4.07Å; I155-I187 HydrophobicContact CG2-CD1 4.33Å; I155-I192 HydrophobicContact CD1-CD1 4.23Å; I155-L210 HydrophobicContact CG1-CD1 4.02Å
156G96.4Very high96.3Very high4 Ų452.8 Ų52.84%0.04126%0.261CS..Hα-helixtrans-59.4-41.2178.500000112.9R152 S153 Q160 I161R152-G156 PolarHBondContact O-N 3.28Å; S153-G156 PolarHBondContact O-N 3.25Å; G156-Q160 CarbonylContact O-C 3.6Å; G156-Q160 WeakPolarHBondContact O-CA 3.33Å; G156-Q160 PolarHBondContact O-N 3.4Å; G156-I161 CarbonylContact C-O 3.48Å; G156-I161 WeakPolarHBondContact CA-O 3.22Å; G156-I161 PolarHBondContact O-N 2.86Å
157E96Very high96.2Very high162 Ų16255.2 Ų55.276%0.75727%0.274SS*.Hα-helixtrans-66.8-50.4175.2-176.7174.2-175.500111.9S153 A154 I155 F159 Q160S153-E157 PolarHBondContact O-N 3.45Å; A154-E157 PolarHBondContact O-N 2.81Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 2.88Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 3.33Å; E157-Q160 PolarHBondContact O-N 3.28Å
158K94.9Very high96.2Very high77 Ų7755.3 Ų55.334%0.33527%0.274SS..Hα-helixtrans-60.9-41.2-178.6-175.774.9175.4-161.40112.1A154 I155 F202 D206 L210A154-K158 WeakPolarHBondContact O-CB 3.45Å; A154-K158 PolarHBondContact O-N 2.88Å; I155-K158 PolarHBondContact O-N 3.42Å; K158-F202 HydrophobicContact CD-CE1 4.3Å; K158-F202 HydrophobicContact CG-CD1 4.36Å; K158-F202 HydrophobicContact CG-CE1 4.04Å; K158-F202 WeakPolarHBondContact O-CZ 3.42Å; K158-D206 WeakPolarHBondContact CE-OD1 3.39Å; K158-D206 IonicContact NZ-OD1 2.66Å; K158-D206 PolarHBondContact NZ-OD1 3.27Å; K158-L210 HydrophobicContact CB-CD1 4.21Å; K158-L210 HydrophobicContact CB-CD2 4.21Å; K158-L210 HydrophobicContact CG-CD1 4.27Å
159F94Very high95.9Very high14 Ų1459.4 Ų59.46%0.06129%0.29CS..Hα-helixtrans-97.80.2-176.1-58.4-19.6000113.7I155 E157 I161 I187 W195 L196 F202 L207I155-F159 HydrophobicContact CG2-CD2 3.5Å; I155-F159 VanDerWaalsContact CG2-CD2 3.5Å; I155-F159 HydrophobicContact CG2-CE2 3.73Å; I155-F159 HydrophobicContact CG2-CG 4.41Å; I155-F159 WeakPolarHBondContact O-CB 3.3Å; I155-F159 PolarHBondContact O-N 3.35Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 3.33Å; F159-I161 HydrophobicContact CB-CD1 3.86Å; F159-I161 HydrophobicContact CB-CG1 4.11Å; F159-I161 WeakPolarHBondContact O-CG1 3.46Å; F159-I187 HydrophobicContact CD2-CD1 3.71Å; F159-I187 HydrophobicContact CE2-CD1 4.07Å; F159-W195 HydrophobicContact CB-CH2 3.67Å; F159-W195 HydrophobicContact CB-CZ2 4.14Å; F159-W195 HydrophobicContact CB-CZ3 4.29Å; F159-W195 AromaticContact CD1-CH2 3.98Å; F159-W195 HydrophobicContact CD1-CH2 3.98Å; F159-W195 AromaticContact CD1-CZ3 3.88Å; F159-W195 HydrophobicContact CD1-CZ3 3.88Å; F159-W195 HydrophobicContact CD2-CE3 4.11Å; F159-W195 AromaticContact CD2-CH2 3.89Å; F159-W195 HydrophobicContact CD2-CH2 3.89Å; F159-W195 AromaticContact CD2-CZ3 3.65Å; F159-W195 HydrophobicContact CD2-CZ3 3.65Å; F159-W195 HydrophobicContact CE1-CZ3 4.09Å; F159-W195 HydrophobicContact CE2-CE3 4.11Å; F159-W195 AromaticContact CE2-CZ3 3.85Å; F159-W195 HydrophobicContact CE2-CZ3 3.85Å; F159-W195 AromaticContact CG-CH2 3.59Å; F159-W195 HydrophobicContact CG-CH2 3.59Å; F159-W195 HydrophobicContact CG-CZ2 4.39Å; F159-W195 AromaticContact CG-CZ3 3.68Å; F159-W195 HydrophobicContact CG-CZ3 3.68Å; F159-W195 HydrophobicContact CZ-CZ3 4.08Å; F159-L196 HydrophobicContact CZ-CD2 4.06Å; F159-F202 AromaticContact CD1-CD1 3.88Å; F159-F202 HydrophobicContact CD1-CD1 3.88Å; F159-F202 AromaticContact CD1-CD2 3.78Å; F159-F202 HydrophobicContact CD1-CD2 3.78Å; F159-F202 AromaticContact CD1-CE1 3.83Å; F159-F202 HydrophobicContact CD1-CE1 3.83Å; F159-F202 AromaticContact CD1-CE2 3.75Å; F159-F202 HydrophobicContact CD1-CE2 3.75Å; F159-F202 AromaticContact CD1-CG 3.85Å; F159-F202 HydrophobicContact CD1-CG 3.85Å; F159-F202 AromaticContact CD1-CZ 3.76Å; F159-F202 HydrophobicContact CD1-CZ 3.76Å; F159-F202 HydrophobicContact CE1-CB 3.95Å; F159-F202 AromaticContact CE1-CD1 3.62Å; F159-F202 HydrophobicContact CE1-CD1 3.62Å; F159-F202 AromaticContact CE1-CD2 3.89Å; F159-F202 HydrophobicContact CE1-CD2 3.89Å; F159-F202 HydrophobicContact CE1-CE1 4.04Å; F159-F202 HydrophobicContact CE1-CE2 4.3Å; F159-F202 AromaticContact CE1-CG 3.53Å; F159-F202 HydrophobicContact CE1-CG 3.53Å; F159-F202 HydrophobicContact CE1-CZ 4.36Å; F159-L207 HydrophobicContact CE2-CD2 4.26Å; F159-L207 HydrophobicContact CZ-CD2 3.84Å
160Q94.6Very high95.5Very high183 Ų18357.7 Ų57.786%0.85528%0.275SS*.THydrogen-bonded Turntrans57.945.9-176.7-54.1-179.41400113.4G156 E157G156-Q160 CarbonylContact O-C 3.6Å; G156-Q160 WeakPolarHBondContact O-CA 3.33Å; G156-Q160 PolarHBondContact O-N 3.4Å; E157-Q160 PolarHBondContact O-N 3.28Å
161I95.3Very high94.9Very high37 Ų3757.3 Ų57.319%0.1928%0.276CS..  trans-121.6144.9-178-60.8175.8000109.2G156 F159 P163 D165 V166 I187 W195G156-I161 CarbonylContact C-O 3.48Å; G156-I161 WeakPolarHBondContact CA-O 3.22Å; G156-I161 PolarHBondContact O-N 2.86Å; F159-I161 HydrophobicContact CB-CD1 3.86Å; F159-I161 HydrophobicContact CB-CG1 4.11Å; F159-I161 WeakPolarHBondContact O-CG1 3.46Å; I161-P163 WeakPolarHBondContact O-CD 3.3Å; I161-D165 HydrophobicContact CG2-CB 4.31Å; I161-V166 HydrophobicContact CG2-CG2 4.13Å; I161-I187 HydrophobicContact CD1-CD1 4.14Å; I161-I187 HydrophobicContact CD1-CG2 3.45Å; I161-I187 VanDerWaalsContact CD1-CG2 3.45Å; I161-I187 HydrophobicContact CG2-CG2 4.21Å; I161-W195 HydrophobicContact CD1-CZ2 3.76Å
162D97.4Very high94Very high56 Ų5657.9 Ų57.930%0.29928%0.282SS..  trans-60124.5172.7-169.2-43.2000109.9R164 D165D162-R164 PolarHBondContact O-N 3.41Å; D162-R164 VanDerWaalsContact OD1-CB 3.24Å; D162-R164 WeakPolarHBondContact OD1-CB 3.25Å; D162-R164 VanDerWaalsContact OD1-CG 3.29Å; D162-R164 WeakPolarHBondContact OD1-CG 3.29Å; D162-R164 PolarHBondContact OD1-N 3.06Å; D162-R164 IonicContact OD1-NE 3.3Å; D162-R164 PolarHBondContact OD1-NE 3.14Å; D162-R164 VanDerWaalsContact OD1-NE 3.08Å; D162-R164 IonicContact OD2-CZ 3.06Å; D162-R164 VanDerWaalsContact OD2-CZ 3.29Å; D162-R164 IonicContact OD2-NE 3.4Å; D162-R164 PolarHBondContact OD2-NE 3.17Å; D162-R164 VanDerWaalsContact OD2-NE 3.09Å; D162-R164 IonicContact OD2-NH2 3.46Å; D162-R164 PolarHBondContact OD2-NH2 2.94Å; D162-D165 PolarHBondContact O-N 3.36Å
163P97.2Very high93.1Very high44 Ų4458 Ų5829%0.28629%0.286SS..G310 helixtrans-56-21.3179.7-27.335.9000114.2R152 I161 D165 V166R152-P163 HydrophobicContact CB-CB 4.46Å; R152-P163 PolarHBondContact NE-O 3.22Å; R152-P163 VanDerWaalsContact NE-O 3.08Å; R152-P163 PolarHBondContact NH2-O 3.43Å; I161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 PolarHBondContact O-N 2.93Å; P163-V166 PolarHBondContact O-N 3.23Å
164R96.8Very high92.3Very high187 Ų18757.1 Ų57.171%0.70627%0.274SS*.G310 helixtrans-67.9-28.1175.9-64.2178.2-68.3171.20.9112.6R152 D162R152-R164 PolarHBondContact NH2-O 3.5Å; R152-R164 VanDerWaalsContact NH2-O 3.08Å; D162-R164 PolarHBondContact O-N 3.41Å; D162-R164 VanDerWaalsContact OD1-CB 3.24Å; D162-R164 WeakPolarHBondContact OD1-CB 3.25Å; D162-R164 VanDerWaalsContact OD1-CG 3.29Å; D162-R164 WeakPolarHBondContact OD1-CG 3.29Å; D162-R164 PolarHBondContact OD1-N 3.06Å; D162-R164 IonicContact OD1-NE 3.3Å; D162-R164 PolarHBondContact OD1-NE 3.14Å; D162-R164 VanDerWaalsContact OD1-NE 3.08Å; D162-R164 IonicContact OD2-CZ 3.06Å; D162-R164 VanDerWaalsContact OD2-CZ 3.29Å; D162-R164 IonicContact OD2-NE 3.4Å; D162-R164 PolarHBondContact OD2-NE 3.17Å; D162-R164 VanDerWaalsContact OD2-NE 3.09Å; D162-R164 IonicContact OD2-NH2 3.46Å; D162-R164 PolarHBondContact OD2-NH2 2.94Å
165D97.2Very high91.3Very high91 Ų9157.1 Ų57.149%0.48728%0.276SS..G310 helixtrans-92.1-3.5178.7-63.5-42.1000113.3I161 D162 P163 G188I161-D165 HydrophobicContact CG2-CB 4.31Å; D162-D165 PolarHBondContact O-N 3.36Å; P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 PolarHBondContact O-N 2.93Å; D165-G188 PolarHBondContact O-N 2.91Å
166V97Very high90.3Very high0 Ų060.2 Ų60.20%029%0.293CS..EExtended strand (participates in β ladder)trans-91.9119.2169.5-175.70000109.1R152 I155 I161 P163 I168 I187R152-V166 HydrophobicContact CB-CB 4.39Å; R152-V166 HydrophobicContact CB-CG1 4.45Å; R152-V166 HydrophobicContact CG-CB 4.46Å; R152-V166 HydrophobicContact CG-CG1 4.29Å; R152-V166 WeakPolarHBondContact CG-O 3.32Å; R152-V166 VanDerWaalsContact CZ-O 3.3Å; R152-V166 PolarHBondContact NE-O 3.46Å; R152-V166 PolarHBondContact NH2-O 2.83Å; I155-V166 HydrophobicContact CB-CG1 4.07Å; I155-V166 HydrophobicContact CD1-CG1 4.07Å; I155-V166 HydrophobicContact CG2-CG1 3.76Å; I155-V166 HydrophobicContact CG2-CG2 3.94Å; I161-V166 HydrophobicContact CG2-CG2 4.13Å; P163-V166 PolarHBondContact O-N 3.23Å; V166-I168 HydrophobicContact CG1-CG2 4.19Å; V166-I187 HydrophobicContact CG2-CG1 4.49Å
167N94.9Very high89.3Confident66 Ų6664 Ų6435%0.35332%0.315SS..EExtended strand (participates in β ladder)trans-113102.8177-62.6-66.7000109.6G185 N186N167-G185 CarbonylContact O-C 3.55Å; N167-G185 VanDerWaalsContact O-CA 3.3Å; N167-G185 WeakPolarHBondContact O-CA 3.4Å; N167-N186 PolarHBondContact N-O 3.45Å; N167-N186 PolarHBondContact ND2-OD1 3.42Å; N167-N186 PolarHBondContact O-N 3.14Å
168I94.1Very high88.6Confident4 Ų457.1 Ų57.12%0.02128%0.283CS..  trans-148.8150.8174.5-170.9162.6000109.5L151 R152 I155 V166 W182 I192L151-I168 HydrophobicContact CB-CG2 4.44Å; L151-I168 HydrophobicContact CD2-CD1 3.74Å; L151-I168 HydrophobicContact CD2-CG1 3.99Å; L151-I168 HydrophobicContact CD2-CG2 3.91Å; L151-I168 HydrophobicContact CG-CG2 3.94Å; R152-I168 HydrophobicContact CG-CG2 3.85Å; I155-I168 HydrophobicContact CD1-CD1 4.33Å; I155-I168 HydrophobicContact CD1-CG2 3.98Å; V166-I168 HydrophobicContact CG1-CG2 4.19Å; I168-W182 HydrophobicContact CD1-CD2 4.13Å; I168-W182 HydrophobicContact CD1-CE3 3.3Å; I168-W182 HydrophobicContact CD1-CH2 4.35Å; I168-W182 HydrophobicContact CD1-CZ3 3.43Å; I168-W182 VanDerWaalsContact CD1-CZ3 3.43Å; I168-I192 HydrophobicContact CD1-CD1 3.91Å
169Y90Very high88.1Confident90 Ų9055.9 Ų55.935%0.35328%0.278SS..  trans-118.3139.2177.8-61.6-66.6000110.7V181 P252Y169-V181 PolarHBondContact O-N 3.4Å; Y169-P252 HydrophobicContact CD1-CB 4.04Å; Y169-P252 HydrophobicContact CD1-CG 3.86Å; Y169-P252 HydrophobicContact CE1-CG 4.34Å
170I88.7Confident87.8Confident1 Ų156.2 Ų56.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-94.8131.2155.7-68-170.8000107.1T144 D147 S148 L151 Q178 F179 P180 V214T144-I170 WeakPolarHBondContact CB-O 3.5Å; T144-I170 HydrophobicContact CG2-CG2 4.07Å; T144-I170 PolarHBondContact OG1-O 2.83Å; D147-I170 HydrophobicContact CB-CB 4.11Å; D147-I170 HydrophobicContact CB-CD1 3.88Å; D147-I170 HydrophobicContact CB-CG2 3.98Å; D147-I170 WeakPolarHBondContact O-CD1 3.44Å; S148-I170 PolarHBondContact OG-N 2.85Å; S148-I170 PolarHBondContact OG-O 3.36Å; L151-I170 HydrophobicContact CB-CD1 4Å; L151-I170 HydrophobicContact CB-CG1 4.28Å; L151-I170 HydrophobicContact CD2-CD1 4.01Å; L151-I170 HydrophobicContact CD2-CG1 3.72Å; I170-Q178 HydrophobicContact CG2-CB 3.56Å; I170-Q178 HydrophobicContact CG2-CG 3.73Å; I170-F179 WeakPolarHBondContact CA-O 3.29Å; I170-P180 HydrophobicContact CG1-CB 4.47Å; I170-V214 HydrophobicContact CD1-CG1 3.66Å
171L84.7Confident87.4Confident30 Ų3048.5 Ų48.516%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-124.5170.4178.7-58.5-171.6000110.9Q178 F179 V181 P252L171-Q178 WeakPolarHBondContact O-CA 3.37Å; L171-F179 HydrophobicContact CB-CE1 4.26Å; L171-F179 HydrophobicContact CB-CE2 4.09Å; L171-F179 HydrophobicContact CB-CZ 3.77Å; L171-F179 PolarHBondContact N-O 3.21Å; L171-F179 WeakPolarHBondContact O-CD1 3.41Å; L171-F179 WeakPolarHBondContact O-CE1 3.43Å; L171-F179 PolarHBondContact O-N 2.89Å; L171-V181 HydrophobicContact CB-CG2 4.23Å; L171-V181 HydrophobicContact CD1-CG2 3.61Å; L171-V181 HydrophobicContact CG-CG2 3.62Å; L171-P252 HydrophobicContact CD2-CB 4.13Å
172G77.2Confident87.2Confident11 Ų1150.2 Ų50.211%0.11325%0.251CS..BIsolated β-bridgetrans102.2-152.6-178.900000112.2G270G172-G270 PolarHBondContact N-O 3.47Å; G172-G270 VanDerWaalsContact N-O 3.08Å; G172-G270 VanDerWaalsContact O-CA 3.31Å; G172-G270 WeakPolarHBondContact O-CA 3.47Å; G172-G270 PolarHBondContact O-N 3.21Å
173E77.4Confident86.6Confident78 Ų7849.8 Ų49.836%0.36425%0.253SS..SBendtrans-75.3137.7173.3-172.9-168.9-162.600109.3G175 T177 Q178E173-G175 PolarHBondContact O-N 3.43Å; E173-G175 VanDerWaalsContact O-N 3.15Å; E173-T177 VanDerWaalsContact CB-OG1 3.23Å; E173-T177 WeakPolarHBondContact CB-OG1 3.37Å; E173-T177 PolarHBondContact OE2-OG1 3.41Å; E173-Q178 VanDerWaalsContact O-CB 3.29Å; E173-Q178 WeakPolarHBondContact O-CB 3.3Å; E173-Q178 PolarHBondContact O-N 3.08Å
174H82.1Confident86.1Confident42 Ų4252 Ų5219%0.19426%0.259CS..SBendtrans-62.7114.8165.317266.3000109.7N119 V121 D122 D147N119-H174 PolarHBondContact OD1-CD2 3.29Å; V121-H174 HydrophobicContact CG1-CB 3.72Å; D122-H174 PolarHBondContact OD2-N 2.91Å; D147-H174 IonicContact OD1-CE1 3.86Å; D147-H174 IonicContact OD1-ND1 2.68Å; D147-H174 IonicContact OD2-CE1 3.32Å; D147-H174 PolarHBondContact OD2-CE1 3.25Å; D147-H174 IonicContact OD2-CG 2.83Å; D147-H174 IonicContact OD2-ND1 3.22Å; D147-H174 PolarHBondContact OD2-ND1 3Å
175G75.3Confident85.8Confident22 Ų2243.1 Ų43.123%0.22723%0.225CC..SBendtrans132.8-145-179.700000112.8E173 T177 Q178E173-G175 PolarHBondContact O-N 3.43Å; E173-G175 VanDerWaalsContact O-N 3.15Å; G175-T177 PolarHBondContact O-N 3.13Å; G175-Q178 VanDerWaalsContact O-CG 3.24Å; G175-Q178 WeakPolarHBondContact O-CG 3.49Å; G175-Q178 PolarHBondContact O-N 3.23Å
176D74.5Confident85.7Confident66 Ų6640.6 Ų40.635%0.35321%0.212SC..THydrogen-bonded Turntrans-67.7-20.8-167.3-54.6-27000113.8R87 Y219R87-D176 IonicContact CZ-OD2 2.69Å; R87-D176 IonicContact NH1-OD2 3.51Å; R87-D176 PolarHBondContact NH1-OD2 2.98Å; R87-D176 IonicContact NH2-OD1 2.89Å; R87-D176 IonicContact NH2-OD2 3.22Å; R87-D176 PolarHBondContact NH2-OD2 2.73Å; D176-Y219 PolarHBondContact OD1-OH 3.08Å
177T76.2Confident85.6Confident82 Ų8241.2 Ų41.250%0.50322%0.215SC..THydrogen-bonded Turntrans-101.57-175.574.80000114.1E173 G175E173-T177 VanDerWaalsContact CB-OG1 3.23Å; E173-T177 WeakPolarHBondContact CB-OG1 3.37Å; E173-T177 PolarHBondContact OE2-OG1 3.41Å; G175-T177 PolarHBondContact O-N 3.13Å
178Q81.8Confident85.5Confident19 Ų1941.3 Ų41.39%0.08923%0.232CC..  trans-65.9154.8174.677.1-172.2-1400112.1D147 I170 L171 E173 G175D147-Q178 PolarHBondContact OD1-OE1 2.98Å; I170-Q178 HydrophobicContact CG2-CB 3.56Å; I170-Q178 HydrophobicContact CG2-CG 3.73Å; L171-Q178 WeakPolarHBondContact O-CA 3.37Å; E173-Q178 VanDerWaalsContact O-CB 3.29Å; E173-Q178 WeakPolarHBondContact O-CB 3.3Å; E173-Q178 PolarHBondContact O-N 3.08Å; G175-Q178 VanDerWaalsContact O-CG 3.24Å; G175-Q178 WeakPolarHBondContact O-CG 3.49Å; G175-Q178 PolarHBondContact O-N 3.23Å
179F83.3Confident85.3Confident51 Ų5144 Ų4422%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-141.6140176.162-84.5000112.1I170 L171 V181 T294I170-F179 WeakPolarHBondContact CA-O 3.29Å; L171-F179 HydrophobicContact CB-CE1 4.26Å; L171-F179 HydrophobicContact CB-CE2 4.09Å; L171-F179 HydrophobicContact CB-CZ 3.77Å; L171-F179 PolarHBondContact N-O 3.21Å; L171-F179 WeakPolarHBondContact O-CD1 3.41Å; L171-F179 WeakPolarHBondContact O-CE1 3.43Å; L171-F179 PolarHBondContact O-N 2.89Å; F179-V181 HydrophobicContact CD2-CG2 4.39Å; F179-V181 HydrophobicContact CE2-CG2 4.02Å; F179-T294 HydrophobicContact CE1-CG2 3.79Å; F179-T294 HydrophobicContact CE2-CG2 4.03Å; F179-T294 WeakPolarHBondContact CE2-OG1 3.46Å; F179-T294 HydrophobicContact CZ-CG2 3.34Å; F179-T294 WeakPolarHBondContact CZ-OG1 3.24Å
180P87.3Confident85.5Confident21 Ų2142 Ų4214%0.13626%0.255CS..EExtended strand (participates in β ladder)trans-74138.3171.631.6-37.5000111.6L151 I170 W182 S211L151-P180 HydrophobicContact CD2-CB 3.76Å; I170-P180 HydrophobicContact CG1-CB 4.47Å; P180-W182 VanDerWaalsContact C-N 3.32Å; P180-W182 HydrophobicContact CB-CD2 4.11Å; P180-W182 HydrophobicContact CB-CG 4.46Å; P180-W182 HydrophobicContact CB-CZ2 3.94Å; P180-W182 HydrophobicContact CG-CD2 4.25Å; P180-W182 VanDerWaalsContact CG-CE2 3.44Å; P180-W182 HydrophobicContact CG-CG 4.44Å; P180-W182 HydrophobicContact CG-CZ2 3.78Å; P180-W182 PolarHBondContact O-N 3.08Å; P180-S211 WeakPolarHBondContact CD-OG 3.49Å; P180-S211 WeakPolarHBondContact CG-OG 3.11Å
181V87.8Confident85.8Confident21 Ų2147.2 Ų47.213%0.12728%0.278CS..  trans-91.966.4175.4-167.90000109.9Y169 L171 F179 S183 H184 G185Y169-V181 PolarHBondContact O-N 3.4Å; L171-V181 HydrophobicContact CB-CG2 4.23Å; L171-V181 HydrophobicContact CD1-CG2 3.61Å; L171-V181 HydrophobicContact CG-CG2 3.62Å; F179-V181 HydrophobicContact CD2-CG2 4.39Å; F179-V181 HydrophobicContact CE2-CG2 4.02Å; V181-S183 PolarHBondContact O-N 3.05Å; V181-S183 VanDerWaalsContact O-N 3.07Å; V181-H184 HydrophobicContact CG1-CB 4.18Å; V181-H184 PolarHBondContact O-N 3.25Å; V181-G185 PolarHBondContact O-N 3.29Å
182W90.6Very high86.2Confident73 Ų7346 Ų4628%0.27727%0.271SS..G310 helixtrans-51.3-35.1-177.3-65.9122.4000114.2L151 I155 I168 P180 H184 G185 I192 L207L151-W182 HydrophobicContact CD1-CH2 4.03Å; L151-W182 HydrophobicContact CD2-CH2 4.42Å; I155-W182 HydrophobicContact CD1-CZ3 4.07Å; I168-W182 HydrophobicContact CD1-CD2 4.13Å; I168-W182 HydrophobicContact CD1-CE3 3.3Å; I168-W182 HydrophobicContact CD1-CH2 4.35Å; I168-W182 HydrophobicContact CD1-CZ3 3.43Å; I168-W182 VanDerWaalsContact CD1-CZ3 3.43Å; P180-W182 VanDerWaalsContact C-N 3.32Å; P180-W182 HydrophobicContact CB-CD2 4.11Å; P180-W182 HydrophobicContact CB-CG 4.46Å; P180-W182 HydrophobicContact CB-CZ2 3.94Å; P180-W182 HydrophobicContact CG-CD2 4.25Å; P180-W182 VanDerWaalsContact CG-CE2 3.44Å; P180-W182 HydrophobicContact CG-CG 4.44Å; P180-W182 HydrophobicContact CG-CZ2 3.78Å; P180-W182 PolarHBondContact O-N 3.08Å; W182-H184 PolarHBondContact O-N 3.2Å; W182-G185 PolarHBondContact O-N 3.36Å; W182-I192 HydrophobicContact CE3-CD1 4.21Å; W182-I192 HydrophobicContact CZ3-CD1 4.26Å; W182-L207 HydrophobicContact CE3-CD1 4.1Å; W182-L207 HydrophobicContact CH2-CB 3.73Å; W182-L207 HydrophobicContact CH2-CD2 4.13Å; W182-L207 HydrophobicContact CH2-CG 4.37Å; W182-L207 WeakPolarHBondContact CH2-O 3.45Å; W182-L207 HydrophobicContact CZ2-CB 3.86Å; W182-L207 WeakPolarHBondContact CZ2-O 3.35Å; W182-L207 HydrophobicContact CZ3-CB 4.09Å; W182-L207 HydrophobicContact CZ3-CD1 4.15Å; W182-L207 HydrophobicContact CZ3-CD2 3.9Å; W182-L207 HydrophobicContact CZ3-CG 4.28Å
183S85Confident86.8Confident47 Ų4748.7 Ų48.733%0.32929%0.288SS..G310 helixtrans-64.4-21.4-177.955.60000115.1V181 I290V181-S183 PolarHBondContact O-N 3.05Å; V181-S183 VanDerWaalsContact O-N 3.07Å; S183-I290 VanDerWaalsContact OG-CD1 3.3Å; S183-I290 WeakPolarHBondContact OG-CD1 3.14Å; S183-I290 WeakPolarHBondContact OG-CG1 3.4Å; S183-I290 VanDerWaalsContact OG-CG2 3.25Å; S183-I290 WeakPolarHBondContact OG-CG2 3.5Å
184H85.9Confident87.6Confident91 Ų9149 Ų4942%0.42129%0.29SS..G310 helixtrans-110.2-2.9174-66.676.8000112.2V181 W182 N186V181-H184 HydrophobicContact CG1-CB 4.18Å; V181-H184 PolarHBondContact O-N 3.25Å; W182-H184 PolarHBondContact O-N 3.2Å; H184-N186 PolarHBondContact O-N 3.11Å; H184-N186 PolarHBondContact O-ND2 3.35Å
185G89.9Confident88.1Confident0 Ų048.1 Ų48.10%029%0.285CS..  trans-62.7128.3174.800000110.6N167 V181 W182 I192N167-G185 CarbonylContact O-C 3.55Å; N167-G185 VanDerWaalsContact O-CA 3.3Å; N167-G185 WeakPolarHBondContact O-CA 3.4Å; V181-G185 PolarHBondContact O-N 3.29Å; W182-G185 PolarHBondContact O-N 3.36Å; G185-I192 PolarHBondContact O-N 3.19Å
186N95.1Very high89Confident38 Ų3847.7 Ų47.720%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-143.4156.817767.787.5000112.1N167 H184 G189 L190N167-N186 PolarHBondContact N-O 3.45Å; N167-N186 PolarHBondContact ND2-OD1 3.42Å; N167-N186 PolarHBondContact O-N 3.14Å; H184-N186 PolarHBondContact O-N 3.11Å; H184-N186 PolarHBondContact O-ND2 3.35Å; N186-G189 PolarHBondContact OD1-N 2.93Å; N186-L190 CarbonylContact C-O 3.51Å; N186-L190 WeakPolarHBondContact CA-O 3.48Å; N186-L190 VanDerWaalsContact CB-O 3.23Å; N186-L190 WeakPolarHBondContact CB-O 3.5Å
187I95.9Very high89.9Confident13 Ų1351 Ų517%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-122.6112.8177.2-65.1170.5000106.2I155 F159 I161 V166 G189 L190 I192 W195I155-I187 HydrophobicContact CG2-CD1 4.33Å; F159-I187 HydrophobicContact CD2-CD1 3.71Å; F159-I187 HydrophobicContact CE2-CD1 4.07Å; I161-I187 HydrophobicContact CD1-CD1 4.14Å; I161-I187 HydrophobicContact CD1-CG2 3.45Å; I161-I187 VanDerWaalsContact CD1-CG2 3.45Å; I161-I187 HydrophobicContact CG2-CG2 4.21Å; V166-I187 HydrophobicContact CG2-CG1 4.49Å; I187-G189 PolarHBondContact O-N 2.85Å; I187-G189 VanDerWaalsContact O-N 3.11Å; I187-L190 PolarHBondContact N-O 3.39Å; I187-L190 PolarHBondContact O-N 2.94Å; I187-I192 HydrophobicContact CD1-CG1 4.31Å; I187-I192 HydrophobicContact CG1-CG1 4.21Å; I187-W195 HydrophobicContact CB-CG 4.45Å; I187-W195 HydrophobicContact CD1-CB 4.41Å; I187-W195 HydrophobicContact CD1-CD2 3.77Å; I187-W195 HydrophobicContact CD1-CE3 4.2Å; I187-W195 HydrophobicContact CD1-CG 3.84Å
188G92.1Very high90.8Very high68 Ų6853.2 Ų53.270%0.70130%0.3SS*.THydrogen-bonded Turntrans56.327.4-176.500000114.4D165D165-G188 PolarHBondContact O-N 2.91Å
189G91.3Very high91.3Very high59 Ų5954.8 Ų54.861%0.60831%0.307SS*.THydrogen-bonded Turntrans90.5-13.4-176.400000115.5N186 I187N186-G189 PolarHBondContact OD1-N 2.93Å; I187-G189 PolarHBondContact O-N 2.85Å; I187-G189 VanDerWaalsContact O-N 3.11Å
190L94.4Very high91.7Very high50 Ų5057.7 Ų57.726%0.26233%0.331SS..EExtended strand (participates in β ladder)trans-82.6128.9173.4-170.468.6000109.8N186 I187 I192 E194 W195N186-L190 CarbonylContact C-O 3.51Å; N186-L190 WeakPolarHBondContact CA-O 3.48Å; N186-L190 VanDerWaalsContact CB-O 3.23Å; N186-L190 WeakPolarHBondContact CB-O 3.5Å; I187-L190 PolarHBondContact N-O 3.39Å; I187-L190 PolarHBondContact O-N 2.94Å; L190-I192 PolarHBondContact O-N 2.88Å; L190-E194 HydrophobicContact CD1-CB 3.85Å; L190-E194 WeakPolarHBondContact CD1-OE2 3.31Å; L190-E194 HydrophobicContact CG-CB 3.99Å; L190-W195 HydrophobicContact CD2-CB 3.94Å; L190-W195 HydrophobicContact CD2-CG 4.38Å; L190-W195 HydrophobicContact CG-CB 4.38Å
191K94.5Very high92Very high109 Ų10962.6 Ų62.647%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-58.8141.9179.2-69.6-177.7-179.6172.80110.2S193 E194 W195K191-S193 PolarHBondContact O-N 2.76Å; K191-S193 VanDerWaalsContact O-N 3.17Å; K191-E194 HydrophobicContact CB-CB 4.33Å; K191-E194 HydrophobicContact CB-CG 4.15Å; K191-E194 CarbonylContact O-C 3.5Å; K191-E194 WeakPolarHBondContact O-CA 3.47Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; K191-W195 PolarHBondContact O-N 3.41Å
192I92.4Very high92.3Very high4 Ų463.5 Ų63.52%0.02135%0.354CS..Hα-helixtrans-55.3-39.7-179.1-72171.7000111.5I155 I168 W182 G185 I187 L190 E194 W195 L196 L207I155-I192 HydrophobicContact CD1-CD1 4.23Å; I168-I192 HydrophobicContact CD1-CD1 3.91Å; W182-I192 HydrophobicContact CE3-CD1 4.21Å; W182-I192 HydrophobicContact CZ3-CD1 4.26Å; G185-I192 PolarHBondContact O-N 3.19Å; I187-I192 HydrophobicContact CD1-CG1 4.31Å; I187-I192 HydrophobicContact CG1-CG1 4.21Å; L190-I192 PolarHBondContact O-N 2.88Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.45Å; I192-W195 PolarHBondContact O-N 3.46Å; I192-L196 HydrophobicContact CG2-CD1 4.38Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CG 3.2Å; I192-L196 PolarHBondContact O-N 3.26Å; I192-L207 HydrophobicContact CG2-CD1 3.61Å; I192-L207 HydrophobicContact CG2-CD2 4.07Å; I192-L207 HydrophobicContact CG2-CG 4.49Å
193S90.5Very high92.3Very high68 Ų6862 Ų6248%0.47636%0.355SS..Hα-helixtrans-61.8-35.8175.557.80000113.3K191 N197K191-S193 PolarHBondContact O-N 2.76Å; K191-S193 VanDerWaalsContact O-N 3.17Å; S193-N197 VanDerWaalsContact O-CG 3.3Å; S193-N197 PolarHBondContact O-N 3.26Å; S193-N197 PolarHBondContact O-ND2 3.39Å
194E93.4Very high92.6Very high84 Ų8465.1 Ų65.139%0.39337%0.368SS..Hα-helixtrans-76.8-34.8176.7-67.2168.8-171.400111L190 K191 I192 N197L190-E194 HydrophobicContact CD1-CB 3.85Å; L190-E194 WeakPolarHBondContact CD1-OE2 3.31Å; L190-E194 HydrophobicContact CG-CB 3.99Å; K191-E194 HydrophobicContact CB-CB 4.33Å; K191-E194 HydrophobicContact CB-CG 4.15Å; K191-E194 CarbonylContact O-C 3.5Å; K191-E194 WeakPolarHBondContact O-CA 3.47Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.45Å; E194-N197 PolarHBondContact O-N 3.48Å
195W94.1Very high92.8Very high25 Ų2564.6 Ų64.610%0.09538%0.375CS..Hα-helixtrans-65.2-43.5175.1-169.596.8000111.8F159 I161 I187 L190 K191 I192 N197 Q198 H199 F202F159-W195 HydrophobicContact CB-CH2 3.67Å; F159-W195 HydrophobicContact CB-CZ2 4.14Å; F159-W195 HydrophobicContact CB-CZ3 4.29Å; F159-W195 AromaticContact CD1-CH2 3.98Å; F159-W195 HydrophobicContact CD1-CH2 3.98Å; F159-W195 AromaticContact CD1-CZ3 3.88Å; F159-W195 HydrophobicContact CD1-CZ3 3.88Å; F159-W195 HydrophobicContact CD2-CE3 4.11Å; F159-W195 AromaticContact CD2-CH2 3.89Å; F159-W195 HydrophobicContact CD2-CH2 3.89Å; F159-W195 AromaticContact CD2-CZ3 3.65Å; F159-W195 HydrophobicContact CD2-CZ3 3.65Å; F159-W195 HydrophobicContact CE1-CZ3 4.09Å; F159-W195 HydrophobicContact CE2-CE3 4.11Å; F159-W195 AromaticContact CE2-CZ3 3.85Å; F159-W195 HydrophobicContact CE2-CZ3 3.85Å; F159-W195 AromaticContact CG-CH2 3.59Å; F159-W195 HydrophobicContact CG-CH2 3.59Å; F159-W195 HydrophobicContact CG-CZ2 4.39Å; F159-W195 AromaticContact CG-CZ3 3.68Å; F159-W195 HydrophobicContact CG-CZ3 3.68Å; F159-W195 HydrophobicContact CZ-CZ3 4.08Å; I161-W195 HydrophobicContact CD1-CZ2 3.76Å; I187-W195 HydrophobicContact CB-CG 4.45Å; I187-W195 HydrophobicContact CD1-CB 4.41Å; I187-W195 HydrophobicContact CD1-CD2 3.77Å; I187-W195 HydrophobicContact CD1-CE3 4.2Å; I187-W195 HydrophobicContact CD1-CG 3.84Å; L190-W195 HydrophobicContact CD2-CB 3.94Å; L190-W195 HydrophobicContact CD2-CG 4.38Å; L190-W195 HydrophobicContact CG-CB 4.38Å; K191-W195 PolarHBondContact O-N 3.41Å; I192-W195 PolarHBondContact O-N 3.46Å; W195-N197 VanDerWaalsContact C-N 3.32Å; W195-N197 PolarHBondContact O-N 2.89Å; W195-Q198 WeakPolarHBondContact O-CB 3.37Å; W195-Q198 PolarHBondContact O-N 2.83Å; W195-H199 AromaticContact CD2-CE1 3.97Å; W195-H199 AromaticContact CD2-ND1 3.54Å; W195-H199 AromaticContact CE2-CE1 3.41Å; W195-H199 VanDerWaalsContact CE2-CE1 3.41Å; W195-H199 AromaticContact CE2-ND1 3.41Å; W195-H199 HydrophobicContact CE3-CB 4.21Å; W195-H199 AromaticContact CE3-ND1 3.8Å; W195-H199 HydrophobicContact CH2-CB 3.9Å; W195-H199 AromaticContact CH2-CD2 3.85Å; W195-H199 AromaticContact CH2-CG 3.57Å; W195-H199 AromaticContact CH2-ND1 3.8Å; W195-H199 AromaticContact CZ2-CD2 3.78Å; W195-H199 AromaticContact CZ2-CE1 3.52Å; W195-H199 AromaticContact CZ2-CG 3.71Å; W195-H199 AromaticContact CZ2-ND1 3.55Å; W195-H199 AromaticContact CZ2-NE2 3.66Å; W195-H199 HydrophobicContact CZ3-CB 3.75Å; W195-H199 AromaticContact CZ3-CG 3.81Å; W195-H199 AromaticContact CZ3-ND1 3.93Å; W195-H199 AromaticContact NE1-CE1 3.59Å; W195-H199 AromaticContact NE1-ND1 3.94Å; W195-H199 PolarHBondContact O-N 3.36Å; W195-H199 PolarHBondContact O-ND1 3.4Å; W195-F202 AromaticContact CH2-CD2 3.86Å; W195-F202 HydrophobicContact CH2-CD2 3.86Å; W195-F202 AromaticContact CH2-CE2 3.91Å; W195-F202 HydrophobicContact CH2-CE2 3.91Å; W195-F202 AromaticContact CZ3-CD2 3.7Å; W195-F202 HydrophobicContact CZ3-CD2 3.7Å; W195-F202 HydrophobicContact CZ3-CE2 4.23Å
196L93.3Very high93Very high12 Ų1265.8 Ų65.86%0.06338%0.381CS..Hα-helixtrans-60.9-37.6175.1-74.8-179.4000112.4F159 I192 Q198 H199 F202 L207F159-L196 HydrophobicContact CZ-CD2 4.06Å; I192-L196 HydrophobicContact CG2-CD1 4.38Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CG 3.2Å; I192-L196 PolarHBondContact O-N 3.26Å; L196-Q198 PolarHBondContact O-N 3.24Å; L196-Q198 VanDerWaalsContact O-N 3.17Å; L196-H199 CarbonylContact O-C 3.39Å; L196-H199 VanDerWaalsContact O-C 3.3Å; L196-H199 PolarHBondContact O-N 2.94Å; L196-F202 HydrophobicContact CD2-CB 3.54Å; L196-L207 HydrophobicContact CD1-CD1 3.6Å; L196-L207 HydrophobicContact CD1-CG 4.05Å
197N93Very high92.9Very high137 Ų13764.5 Ų64.573%0.73337%0.374SS*.Hα-helixtrans-61.7-23.7175.1-69.6-27.9000113S193 E194 W195S193-N197 VanDerWaalsContact O-CG 3.3Å; S193-N197 PolarHBondContact O-N 3.26Å; S193-N197 PolarHBondContact O-ND2 3.39Å; E194-N197 PolarHBondContact O-N 3.48Å; W195-N197 VanDerWaalsContact C-N 3.32Å; W195-N197 PolarHBondContact O-N 2.89Å
198Q94.4Very high92.6Very high128 Ų12869 Ų6960%0.59840%0.397SS*.Hα-helixtrans-91.5-12.4177.3-62.7-179.31800113.1W195 L196W195-Q198 WeakPolarHBondContact O-CB 3.37Å; W195-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 PolarHBondContact O-N 3.24Å; L196-Q198 VanDerWaalsContact O-N 3.17Å
199H93.5Very high92.7Very high52 Ų5271 Ų7124%0.24139%0.388CS..  trans-129.273.2-177-61.283.3000109.5W195 L196 E201 F202W195-H199 AromaticContact CD2-CE1 3.97Å; W195-H199 AromaticContact CD2-ND1 3.54Å; W195-H199 AromaticContact CE2-CE1 3.41Å; W195-H199 VanDerWaalsContact CE2-CE1 3.41Å; W195-H199 AromaticContact CE2-ND1 3.41Å; W195-H199 HydrophobicContact CE3-CB 4.21Å; W195-H199 AromaticContact CE3-ND1 3.8Å; W195-H199 HydrophobicContact CH2-CB 3.9Å; W195-H199 AromaticContact CH2-CD2 3.85Å; W195-H199 AromaticContact CH2-CG 3.57Å; W195-H199 AromaticContact CH2-ND1 3.8Å; W195-H199 AromaticContact CZ2-CD2 3.78Å; W195-H199 AromaticContact CZ2-CE1 3.52Å; W195-H199 AromaticContact CZ2-CG 3.71Å; W195-H199 AromaticContact CZ2-ND1 3.55Å; W195-H199 AromaticContact CZ2-NE2 3.66Å; W195-H199 HydrophobicContact CZ3-CB 3.75Å; W195-H199 AromaticContact CZ3-CG 3.81Å; W195-H199 AromaticContact CZ3-ND1 3.93Å; W195-H199 AromaticContact NE1-CE1 3.59Å; W195-H199 AromaticContact NE1-ND1 3.94Å; W195-H199 PolarHBondContact O-N 3.36Å; W195-H199 PolarHBondContact O-ND1 3.4Å; L196-H199 CarbonylContact O-C 3.39Å; L196-H199 VanDerWaalsContact O-C 3.3Å; L196-H199 PolarHBondContact O-N 2.94Å; H199-E201 VanDerWaalsContact CA-OE2 3.32Å; H199-E201 WeakPolarHBondContact CA-OE2 3.41Å; H199-E201 IonicContact CD2-OE1 3.09Å; H199-E201 PolarHBondContact O-N 2.99Å; H199-F202 HydrophobicContact CB-CD2 3.96Å; H199-F202 PolarHBondContact O-N 3.08Å
200P91.2Very high92.8Very high112 Ų11269 Ų6973%0.72736%0.364SS*.THydrogen-bonded Turntrans-64.9-9.7-172.428.8-36.7000114.4F202P200-F202 PolarHBondContact O-N 3.39Å
201E94Very high92.6Very high123 Ų12367.5 Ų67.558%0.57536%0.357SS*.THydrogen-bonded Turntrans-67.8-1616967.3-86.5-157.900113.5H199H199-E201 VanDerWaalsContact CA-OE2 3.32Å; H199-E201 WeakPolarHBondContact CA-OE2 3.41Å; H199-E201 IonicContact CD2-OE1 3.09Å; H199-E201 PolarHBondContact O-N 2.99Å
202F93.5Very high92.5Very high40 Ų4066 Ų6618%0.17535%0.352CS..SBendtrans-114.2155.4174.6-57.4-66.4000111.3K158 F159 W195 L196 H199 P200K158-F202 HydrophobicContact CD-CE1 4.3Å; K158-F202 HydrophobicContact CG-CD1 4.36Å; K158-F202 HydrophobicContact CG-CE1 4.04Å; K158-F202 WeakPolarHBondContact O-CZ 3.42Å; F159-F202 AromaticContact CD1-CD1 3.88Å; F159-F202 HydrophobicContact CD1-CD1 3.88Å; F159-F202 AromaticContact CD1-CD2 3.78Å; F159-F202 HydrophobicContact CD1-CD2 3.78Å; F159-F202 AromaticContact CD1-CE1 3.83Å; F159-F202 HydrophobicContact CD1-CE1 3.83Å; F159-F202 AromaticContact CD1-CE2 3.75Å; F159-F202 HydrophobicContact CD1-CE2 3.75Å; F159-F202 AromaticContact CD1-CG 3.85Å; F159-F202 HydrophobicContact CD1-CG 3.85Å; F159-F202 AromaticContact CD1-CZ 3.76Å; F159-F202 HydrophobicContact CD1-CZ 3.76Å; F159-F202 HydrophobicContact CE1-CB 3.95Å; F159-F202 AromaticContact CE1-CD1 3.62Å; F159-F202 HydrophobicContact CE1-CD1 3.62Å; F159-F202 AromaticContact CE1-CD2 3.89Å; F159-F202 HydrophobicContact CE1-CD2 3.89Å; F159-F202 HydrophobicContact CE1-CE1 4.04Å; F159-F202 HydrophobicContact CE1-CE2 4.3Å; F159-F202 AromaticContact CE1-CG 3.53Å; F159-F202 HydrophobicContact CE1-CG 3.53Å; F159-F202 HydrophobicContact CE1-CZ 4.36Å; W195-F202 AromaticContact CH2-CD2 3.86Å; W195-F202 HydrophobicContact CH2-CD2 3.86Å; W195-F202 AromaticContact CH2-CE2 3.91Å; W195-F202 HydrophobicContact CH2-CE2 3.91Å; W195-F202 AromaticContact CZ3-CD2 3.7Å; W195-F202 HydrophobicContact CZ3-CD2 3.7Å; W195-F202 HydrophobicContact CZ3-CE2 4.23Å; L196-F202 HydrophobicContact CD2-CB 3.54Å; H199-F202 HydrophobicContact CB-CD2 3.96Å; H199-F202 PolarHBondContact O-N 3.08Å; P200-F202 PolarHBondContact O-N 3.39Å
203S91.4Very high92.6Very high42 Ų4269.8 Ų69.829%0.29437%0.372SS..  trans-140.1167.4-172.766.30000112.3S205 D206S203-S205 PolarHBondContact O-N 3.38Å; S203-S205 PolarHBondContact OG-N 3.43Å; S203-S205 PolarHBondContact OG-OG 3.34Å; S203-D206 PolarHBondContact N-OD2 3.27Å; S203-D206 WeakPolarHBondContact O-CB 3.08Å; S203-D206 PolarHBondContact O-N 3Å; S203-D206 PolarHBondContact OG-N 2.91Å; S203-D206 PolarHBondContact OG-OD2 2.82Å
204D90Very high92.7Very high113 Ų11366.8 Ų66.860%0.60435%0.351SS*.Hα-helixtrans-57.6-29.6171.1-73.9-12.6000112.2D206 L207 I208D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 3.26Å; D204-L207 WeakPolarHBondContact O-CB 3.33Å; D204-L207 PolarHBondContact O-N 2.81Å; D204-I208 WeakPolarHBondContact O-CG1 3.12Å; D204-I208 PolarHBondContact O-N 2.73Å; D204-I208 VanDerWaalsContact O-N 3.15Å
205S91.9Very high92.4Very high80 Ų8065.2 Ų65.256%0.55934%0.343SS*.Hα-helixtrans-64.7-35.217531.40000113.1S203 L207 I208 E209S203-S205 PolarHBondContact O-N 3.38Å; S203-S205 PolarHBondContact OG-N 3.43Å; S203-S205 PolarHBondContact OG-OG 3.34Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 3.19Å; S205-I208 PolarHBondContact O-N 3.48Å; S205-E209 PolarHBondContact O-N 2.77Å
206D93.1Very high92.3Very high24 Ų2467.2 Ų67.213%0.12836%0.355CS..Hα-helixtrans-62.8-39.4174.6-63.7-84.7000110.9K158 S203 D204 E209 L210K158-D206 WeakPolarHBondContact CE-OD1 3.39Å; K158-D206 IonicContact NZ-OD1 2.66Å; K158-D206 PolarHBondContact NZ-OD1 3.27Å; S203-D206 PolarHBondContact N-OD2 3.27Å; S203-D206 WeakPolarHBondContact O-CB 3.08Å; S203-D206 PolarHBondContact O-N 3Å; S203-D206 PolarHBondContact OG-N 2.91Å; S203-D206 PolarHBondContact OG-OD2 2.82Å; D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 3.26Å; D206-E209 PolarHBondContact O-N 2.93Å; D206-L210 VanDerWaalsContact O-CG 3.23Å; D206-L210 WeakPolarHBondContact O-CG 3.28Å; D206-L210 PolarHBondContact O-N 3.07Å
207L92.1Very high92.3Very high12 Ų1267.4 Ų67.46%0.06336%0.359CS..Hα-helixtrans-65-41.5177.4-61-174000112.3F159 W182 I192 L196 D204 S205 L210 S211F159-L207 HydrophobicContact CE2-CD2 4.26Å; F159-L207 HydrophobicContact CZ-CD2 3.84Å; W182-L207 HydrophobicContact CE3-CD1 4.1Å; W182-L207 HydrophobicContact CH2-CB 3.73Å; W182-L207 HydrophobicContact CH2-CD2 4.13Å; W182-L207 HydrophobicContact CH2-CG 4.37Å; W182-L207 WeakPolarHBondContact CH2-O 3.45Å; W182-L207 HydrophobicContact CZ2-CB 3.86Å; W182-L207 WeakPolarHBondContact CZ2-O 3.35Å; W182-L207 HydrophobicContact CZ3-CB 4.09Å; W182-L207 HydrophobicContact CZ3-CD1 4.15Å; W182-L207 HydrophobicContact CZ3-CD2 3.9Å; W182-L207 HydrophobicContact CZ3-CG 4.28Å; I192-L207 HydrophobicContact CG2-CD1 3.61Å; I192-L207 HydrophobicContact CG2-CD2 4.07Å; I192-L207 HydrophobicContact CG2-CG 4.49Å; L196-L207 HydrophobicContact CD1-CD1 3.6Å; L196-L207 HydrophobicContact CD1-CG 4.05Å; D204-L207 WeakPolarHBondContact O-CB 3.33Å; D204-L207 PolarHBondContact O-N 2.81Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 3.19Å; L207-L210 HydrophobicContact CD2-CD1 4.46Å; L207-L210 PolarHBondContact O-N 3.45Å; L207-S211 PolarHBondContact O-N 3.4Å
208I90.6Very high92Very high108 Ų10862 Ų6255%0.55433%0.333SS*.Hα-helixtrans-61.9-46.6176.7-66.9168.3000110D204 S205 L210 S211 E212D204-I208 WeakPolarHBondContact O-CG1 3.12Å; D204-I208 PolarHBondContact O-N 2.73Å; D204-I208 VanDerWaalsContact O-N 3.15Å; S205-I208 PolarHBondContact O-N 3.48Å; I208-L210 PolarHBondContact O-N 3.05Å; I208-S211 PolarHBondContact O-N 3.32Å; I208-E212 PolarHBondContact O-N 3.15Å
209E94Very high91.7Very high109 Ų10961.5 Ų61.551%0.50933%0.326SS..Hα-helixtrans-59.5-46.8177.1-170.7-174167.100111.5S205 D206 S211 E212 N213S205-E209 PolarHBondContact O-N 2.77Å; D206-E209 PolarHBondContact O-N 2.93Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.15Å; E209-E212 PolarHBondContact O-N 3.44Å; E209-N213 WeakPolarHBondContact O-CB 3.36Å; E209-N213 PolarHBondContact O-N 3.17Å; E209-N213 PolarHBondContact O-ND2 3.11Å
210L94.5Very high91.7Very high18 Ų1863.9 Ų63.99%0.09434%0.337CS..Hα-helixtrans-57.5-43.9176.3-71.6171000112L151 A154 I155 K158 D206 L207 I208 N213 V214L151-L210 HydrophobicContact CD1-CB 4.49Å; A154-L210 HydrophobicContact CB-CD2 3.86Å; I155-L210 HydrophobicContact CG1-CD1 4.02Å; K158-L210 HydrophobicContact CB-CD1 4.21Å; K158-L210 HydrophobicContact CB-CD2 4.21Å; K158-L210 HydrophobicContact CG-CD1 4.27Å; D206-L210 VanDerWaalsContact O-CG 3.23Å; D206-L210 WeakPolarHBondContact O-CG 3.28Å; D206-L210 PolarHBondContact O-N 3.07Å; L207-L210 HydrophobicContact CD2-CD1 4.46Å; L207-L210 PolarHBondContact O-N 3.45Å; I208-L210 PolarHBondContact O-N 3.05Å; L210-N213 PolarHBondContact O-N 2.92Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 WeakPolarHBondContact O-CG2 3.12Å; L210-V214 PolarHBondContact O-N 2.68Å
211S90.3Very high91.8Very high17 Ų1761.4 Ų61.412%0.11932%0.317CS..Hα-helixtrans-65.3-41.8177.9179.10000112.7P180 L207 I208 E209 V214 K215P180-S211 WeakPolarHBondContact CD-OG 3.49Å; P180-S211 WeakPolarHBondContact CG-OG 3.11Å; L207-S211 PolarHBondContact O-N 3.4Å; I208-S211 PolarHBondContact O-N 3.32Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.15Å; S211-V214 PolarHBondContact O-N 3.48Å; S211-K215 WeakPolarHBondContact O-CB 3.07Å; S211-K215 PolarHBondContact O-N 2.69Å
212E91.5Very high91.6Very high79 Ų7959.3 Ų59.337%0.36931%0.309SS..Hα-helixtrans-65.3-42.2176.6-73.8-60125.600111.3I208 E209 K215 N216I208-E212 PolarHBondContact O-N 3.15Å; E209-E212 PolarHBondContact O-N 3.44Å; E212-K215 PolarHBondContact O-N 3.47Å; E212-K215 IonicContact OE1-NZ 2.66Å; E212-K215 PolarHBondContact OE1-NZ 2.98Å; E212-K215 VanDerWaalsContact OE2-CE 3.24Å; E212-K215 WeakPolarHBondContact OE2-CE 3.47Å; E212-K215 IonicContact OE2-NZ 3.29Å; E212-K215 PolarHBondContact OE2-NZ 3.32Å; E212-N216 PolarHBondContact O-N 2.73Å; E212-N216 PolarHBondContact O-ND2 3.45Å
213N93.6Very high91.5Very high82 Ų8264.9 Ų64.944%0.43934%0.336SS..Hα-helixtrans-62.8-44.8176.1-68.8-12.6000111.3E209 L210 K215 N216 A217E209-N213 WeakPolarHBondContact O-CB 3.36Å; E209-N213 PolarHBondContact O-N 3.17Å; E209-N213 PolarHBondContact O-ND2 3.11Å; L210-N213 PolarHBondContact O-N 2.92Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 2.96Å; N213-N216 CarbonylContact O-C 3.56Å; N213-N216 PolarHBondContact O-N 3.44Å; N213-N216 VanDerWaalsContact O-N 3.13Å; N213-A217 WeakPolarHBondContact O-CB 3.23Å; N213-A217 PolarHBondContact O-N 2.69Å
214V92.9Very high91.6Very high6 Ų671.1 Ų71.14%0.03635%0.354CS..Hα-helixtrans-61.5-41.2177.31680000111.9R150 L151 A154 I170 L210 S211 N216 A217R150-V214 HydrophobicContact CB-CG1 3.74Å; R150-V214 HydrophobicContact CB-CG2 4.25Å; L151-V214 HydrophobicContact CB-CG1 4.31Å; L151-V214 HydrophobicContact CB-CG2 4.23Å; L151-V214 HydrophobicContact CD1-CG2 4.08Å; A154-V214 HydrophobicContact CB-CG2 4.02Å; I170-V214 HydrophobicContact CD1-CG1 3.66Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 WeakPolarHBondContact O-CG2 3.12Å; L210-V214 PolarHBondContact O-N 2.68Å; S211-V214 PolarHBondContact O-N 3.48Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.82Å; V214-A217 WeakPolarHBondContact O-CB 3.49Å; V214-A217 PolarHBondContact O-N 2.79Å
215K88.2Confident91.8Very high50 Ų5070 Ų7022%0.21734%0.344CS..Hα-helixtrans-62.1-36.6175.6-173.9-179.968.7-167.70112.1S211 E212 N213S211-K215 WeakPolarHBondContact O-CB 3.07Å; S211-K215 PolarHBondContact O-N 2.69Å; E212-K215 PolarHBondContact O-N 3.47Å; E212-K215 IonicContact OE1-NZ 2.66Å; E212-K215 PolarHBondContact OE1-NZ 2.98Å; E212-K215 VanDerWaalsContact OE2-CE 3.24Å; E212-K215 WeakPolarHBondContact OE2-CE 3.47Å; E212-K215 IonicContact OE2-NZ 3.29Å; E212-K215 PolarHBondContact OE2-NZ 3.32Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 2.96Å
216N91.6Very high91.6Very high68 Ų6869 Ų6936%0.36435%0.346SS..Hα-helixtrans-91.1-9.4-179-64.2-41.4000114.5E212 N213 V214 A218 Y219 E220E212-N216 PolarHBondContact O-N 2.73Å; E212-N216 PolarHBondContact O-ND2 3.45Å; N213-N216 CarbonylContact O-C 3.56Å; N213-N216 PolarHBondContact O-N 3.44Å; N213-N216 VanDerWaalsContact O-N 3.13Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.82Å; N216-A218 PolarHBondContact O-N 2.91Å; N216-A218 VanDerWaalsContact O-N 3.09Å; N216-Y219 WeakPolarHBondContact O-CB 3.05Å; N216-Y219 PolarHBondContact O-N 2.98Å; N216-E220 PolarHBondContact O-N 2.93Å
217A92.4Very high91.5Very high16 Ų1669 Ų6913%0.13235%0.348CS..Hα-helixtrans-57-31.7-173.100000114N213 V214 I221N213-A217 WeakPolarHBondContact O-CB 3.23Å; N213-A217 PolarHBondContact O-N 2.69Å; V214-A217 WeakPolarHBondContact O-CB 3.49Å; V214-A217 PolarHBondContact O-N 2.79Å; A217-I221 WeakPolarHBondContact O-CD1 3.36Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 3.07Å
218A88.1Confident91.5Very high23 Ų2370.3 Ų70.319%0.1936%0.356CS..Hα-helixtrans-64.2-43.9176.400000111.9N216 I222 T228N216-A218 PolarHBondContact O-N 2.91Å; N216-A218 VanDerWaalsContact O-N 3.09Å; A218-I222 WeakPolarHBondContact O-CB 3.16Å; A218-I222 WeakPolarHBondContact O-CD1 3.48Å; A218-I222 WeakPolarHBondContact O-CG1 3.28Å; A218-I222 PolarHBondContact O-N 3.47Å; A218-T228 HydrophobicContact CB-CG2 4.41Å
219Y88Confident91.7Very high117 Ų11766.2 Ų66.246%0.45934%0.335SS..Hα-helixtrans-65.5-41.5179.5-58.9-65.6000111.3R87 D176 N216 I222 H223R87-Y219 PolarHBondContact NH2-OH 3.2Å; D176-Y219 PolarHBondContact OD1-OH 3.08Å; N216-Y219 WeakPolarHBondContact O-CB 3.05Å; N216-Y219 PolarHBondContact O-N 2.98Å; Y219-I222 PolarHBondContact O-N 3.06Å; Y219-H223 WeakPolarHBondContact O-CB 3.36Å; Y219-H223 PolarHBondContact O-N 3.07Å
220E92.6Very high91.9Very high102 Ų10268 Ų6848%0.47734%0.338SS..Hα-helixtrans-63-48.3177-177.1-179.6-17100112.2N216 I222 H223 Y224N216-E220 PolarHBondContact O-N 2.93Å; E220-I222 VanDerWaalsContact C-N 3.33Å; E220-I222 PolarHBondContact O-N 2.99Å; E220-H223 WeakPolarHBondContact O-CB 3.29Å; E220-H223 PolarHBondContact O-N 3.48Å; E220-H223 VanDerWaalsContact O-N 3.14Å; E220-Y224 HydrophobicContact CG-CD2 3.83Å; E220-Y224 HydrophobicContact CG-CE2 3.41Å; E220-Y224 VanDerWaalsContact CG-CE2 3.41Å; E220-Y224 WeakPolarHBondContact O-CD2 3.49Å; E220-Y224 PolarHBondContact O-N 3.24Å
221I93Very high92Very high60 Ų6068.8 Ų68.831%0.30835%0.35SS..Hα-helixtrans-63.3-40.6178.4-65.5164.2000111.1A217 H223 Y224 K225 T228A217-I221 WeakPolarHBondContact O-CD1 3.36Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 3.07Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 3.18Å; I221-Y224 PolarHBondContact O-N 2.87Å; I221-K225 HydrophobicContact CG2-CD 4.32Å; I221-K225 HydrophobicContact CG2-CG 4.11Å; I221-K225 PolarHBondContact O-N 2.91Å; I221-T228 HydrophobicContact CB-CG2 3.92Å; I221-T228 HydrophobicContact CG2-CG2 3.83Å
222I90.1Very high92.4Very high79 Ų7969 Ų6941%0.40535%0.35SS..Hα-helixtrans-62.2-40.6175.9-70.7164.7000110.4A218 Y219 E220 Y224 G226 T228A218-I222 WeakPolarHBondContact O-CB 3.16Å; A218-I222 WeakPolarHBondContact O-CD1 3.48Å; A218-I222 WeakPolarHBondContact O-CG1 3.28Å; A218-I222 PolarHBondContact O-N 3.47Å; Y219-I222 PolarHBondContact O-N 3.06Å; E220-I222 VanDerWaalsContact C-N 3.33Å; E220-I222 PolarHBondContact O-N 2.99Å; I222-Y224 VanDerWaalsContact C-N 3.31Å; I222-Y224 PolarHBondContact O-N 3.36Å; I222-G226 WeakPolarHBondContact O-CA 3.25Å; I222-G226 PolarHBondContact O-N 3.06Å; I222-T228 HydrophobicContact CD1-CG2 4.14Å; I222-T228 HydrophobicContact CG1-CG2 3.68Å
223H91.6Very high92.7Very high158 Ų15865.3 Ų65.373%0.73133%0.333SS*.Hα-helixtrans-59.9-41.2174.3-178.769.6000112Y219 E220 I221Y219-H223 WeakPolarHBondContact O-CB 3.36Å; Y219-H223 PolarHBondContact O-N 3.07Å; E220-H223 WeakPolarHBondContact O-CB 3.29Å; E220-H223 PolarHBondContact O-N 3.48Å; E220-H223 VanDerWaalsContact O-N 3.14Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 3.18Å
224Y93.2Very high92.9Very high172 Ų17266 Ų6668%0.67534%0.336SS*.Hα-helixtrans-74.7-38.8-179-74.4-55.7000115.2E220 I221 I222E220-Y224 HydrophobicContact CG-CD2 3.83Å; E220-Y224 HydrophobicContact CG-CE2 3.41Å; E220-Y224 VanDerWaalsContact CG-CE2 3.41Å; E220-Y224 WeakPolarHBondContact O-CD2 3.49Å; E220-Y224 PolarHBondContact O-N 3.24Å; I221-Y224 PolarHBondContact O-N 2.87Å; I222-Y224 VanDerWaalsContact C-N 3.31Å; I222-Y224 PolarHBondContact O-N 3.36Å
225K93.9Very high93.1Very high90 Ų9066.3 Ų66.339%0.39134%0.338SS..Hα-helixtrans-135.35.9-171.675.8169.8-159.51650116.1I221 S227 H229 Y230I221-K225 HydrophobicContact CG2-CD 4.32Å; I221-K225 HydrophobicContact CG2-CG 4.11Å; I221-K225 PolarHBondContact O-N 2.91Å; K225-S227 VanDerWaalsContact C-N 3.31Å; K225-S227 WeakPolarHBondContact CE-O 3.42Å; K225-S227 WeakPolarHBondContact CG-O 3.37Å; K225-S227 PolarHBondContact O-N 3.49Å; K225-H229 PolarHBondContact NZ-CD2 3.02Å; K225-H229 VanDerWaalsContact NZ-CD2 3.29Å; K225-H229 PolarHBondContact NZ-CE1 3.29Å; K225-H229 PolarHBondContact NZ-NE2 3.47Å; K225-Y230 VanDerWaalsContact NZ-CD2 3.31Å
226G89.6Confident93.6Very high58 Ų5863.9 Ų63.960%0.59833%0.328SS*.SBendtrans85.4-20.7176.800000115.9I222I222-G226 WeakPolarHBondContact O-CA 3.25Å; I222-G226 PolarHBondContact O-N 3.06Å
227S89.7Confident93.9Very high26 Ų2660.7 Ų60.718%0.18231%0.31CS..  trans-153160.8-179.464.70000113.5D12 K225 H229D12-S227 VanDerWaalsContact OD2-CB 3.29Å; D12-S227 WeakPolarHBondContact OD2-CB 3.13Å; D12-S227 PolarHBondContact OD2-OG 2.8Å; K225-S227 VanDerWaalsContact C-N 3.31Å; K225-S227 WeakPolarHBondContact CE-O 3.42Å; K225-S227 WeakPolarHBondContact CG-O 3.37Å; K225-S227 PolarHBondContact O-N 3.49Å; S227-H229 PolarHBondContact OG-CD2 2.85Å
228T92.1Very high94.1Very high38 Ų3864.2 Ų64.223%0.23332%0.32CS..  trans-113.5122.1168.280.90000109.2A218 I221 I222A218-T228 HydrophobicContact CB-CG2 4.41Å; I221-T228 HydrophobicContact CB-CG2 3.92Å; I221-T228 HydrophobicContact CG2-CG2 3.83Å; I222-T228 HydrophobicContact CD1-CG2 4.14Å; I222-T228 HydrophobicContact CG1-CG2 3.68Å
229H96Very high94.5Very high23 Ų2363.4 Ų63.411%0.10631%0.313CS..  trans-147.4-36.7-174.557.895.6000114.8D12 V13 S16 K225 S227 I232 A233D12-H229 HydrophobicContact CB-CB 3.73Å; V13-H229 HydrophobicContact CG2-CB 4.08Å; S16-H229 PolarHBondContact OG-ND1 3.28Å; K225-H229 PolarHBondContact NZ-CD2 3.02Å; K225-H229 VanDerWaalsContact NZ-CD2 3.29Å; K225-H229 PolarHBondContact NZ-CE1 3.29Å; K225-H229 PolarHBondContact NZ-NE2 3.47Å; S227-H229 PolarHBondContact OG-CD2 2.85Å; H229-I232 WeakPolarHBondContact O-CG2 3.19Å; H229-A233 WeakPolarHBondContact O-CB 3.1Å; H229-A233 PolarHBondContact O-N 3.48Å
230Y97.6Very high94.9Very high147 Ų14757.8 Ų57.858%0.57629%0.291SS*.Hα-helixtrans-66.4-48.3-179.3-62.3-50.6000113.7K225 I232 A233 I234K225-Y230 VanDerWaalsContact NZ-CD2 3.31Å; Y230-I232 PolarHBondContact O-N 3.06Å; Y230-A233 PolarHBondContact O-N 3.08Å; Y230-I234 WeakPolarHBondContact O-CG1 3.42Å; Y230-I234 PolarHBondContact O-N 3.49Å
231G97.1Very high95Very high34 Ų3456.7 Ų56.735%0.35128%0.284SS..Hα-helixtrans-62.5-43.9-179.600000112.8L146 I234 S235L146-G231 VanDerWaalsContact CD1-C 3.5Å; G231-I234 PolarHBondContact O-N 2.93Å; G231-S235 PolarHBondContact O-N 2.85Å; G231-S235 PolarHBondContact O-OG 3.39Å
232I97.2Very high95.1Very high20 Ų2054.4 Ų54.410%0.10328%0.275CS..Hα-helixtrans-66.9-40176.2-177.959.5000111.3V13 L146 H229 Y230 I234 S235 L236V13-I232 HydrophobicContact CG1-CG1 4.41Å; V13-I232 HydrophobicContact CG1-CG2 4.02Å; V13-I232 HydrophobicContact CG2-CG2 4Å; L146-I232 HydrophobicContact CD2-CB 3.97Å; H229-I232 WeakPolarHBondContact O-CG2 3.19Å; Y230-I232 PolarHBondContact O-N 3.06Å; I232-I234 PolarHBondContact O-N 3.22Å; I232-S235 WeakPolarHBondContact O-CB 3.32Å; I232-S235 PolarHBondContact O-N 2.89Å; I232-S235 VanDerWaalsContact O-N 3.15Å; I232-L236 HydrophobicContact CD1-CD1 4.45Å; I232-L236 HydrophobicContact CD1-CG 4.1Å; I232-L236 HydrophobicContact CG1-CD1 4.05Å; I232-L236 HydrophobicContact CG1-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CG 3.12Å; I232-L236 PolarHBondContact O-N 2.8Å
233A98.3Very high95.1Very high2 Ų252.7 Ų52.72%0.01727%0.266CS..Hα-helixtrans-58.8-44.817600000112.8S16 A20 H229 Y230 S235 L236 A237S16-A233 VanDerWaalsContact C-CB 3.42Å; A20-A233 HydrophobicContact CB-CB 4.39Å; H229-A233 WeakPolarHBondContact O-CB 3.1Å; H229-A233 PolarHBondContact O-N 3.48Å; Y230-A233 PolarHBondContact O-N 3.08Å; A233-S235 VanDerWaalsContact C-N 3.33Å; A233-S235 PolarHBondContact O-N 2.83Å; A233-L236 PolarHBondContact O-N 2.99Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 3.5Å
234I98.1Very high95.1Very high97 Ų9746.5 Ų46.550%0.49724%0.238SC..Hα-helixtrans-64.1-40.2175.7-66.6167.7000110.7Y230 G231 I232 A237 R238Y230-I234 WeakPolarHBondContact O-CG1 3.42Å; Y230-I234 PolarHBondContact O-N 3.49Å; G231-I234 PolarHBondContact O-N 2.93Å; I232-I234 PolarHBondContact O-N 3.22Å; I234-A237 PolarHBondContact O-N 2.9Å; I234-R238 PolarHBondContact O-N 2.96Å
235S97.6Very high95Very high12 Ų1243 Ų438%0.08423%0.23CC..Hα-helixtrans-64.1-44.1177.4-56.60000111.8G231 I232 A233 R238 I239G231-S235 PolarHBondContact O-N 2.85Å; G231-S235 PolarHBondContact O-OG 3.39Å; I232-S235 WeakPolarHBondContact O-CB 3.32Å; I232-S235 PolarHBondContact O-N 2.89Å; I232-S235 VanDerWaalsContact O-N 3.15Å; A233-S235 VanDerWaalsContact C-N 3.33Å; A233-S235 PolarHBondContact O-N 2.83Å; S235-R238 WeakPolarHBondContact O-CB 3.1Å; S235-R238 PolarHBondContact O-N 2.89Å; S235-I239 WeakPolarHBondContact O-CG1 3.49Å; S235-I239 PolarHBondContact O-N 3.09Å
236L98.4Very high94.7Very high0 Ų044.5 Ų44.50%024%0.242CC..Hα-helixtrans-63.8-40.7174.9-69.6171.8000112.1V13 Y17 T76 L115 A117 I232 A233 R238 I239 T240V13-L236 HydrophobicContact CG1-CD1 4.16Å; Y17-L236 HydrophobicContact CD2-CB 3.45Å; Y17-L236 VanDerWaalsContact CD2-CB 3.45Å; Y17-L236 HydrophobicContact CD2-CD1 4.3Å; Y17-L236 HydrophobicContact CE2-CB 3.67Å; Y17-L236 HydrophobicContact CG-CB 4.27Å; Y17-L236 HydrophobicContact CG-CD1 4.32Å; T76-L236 HydrophobicContact CG2-CD1 4.47Å; L115-L236 HydrophobicContact CD1-CD2 4.32Å; L115-L236 HydrophobicContact CD2-CD2 3.79Å; L115-L236 HydrophobicContact CG-CD2 3.99Å; A117-L236 HydrophobicContact CB-CD1 3.74Å; A117-L236 HydrophobicContact CB-CD2 3.94Å; A117-L236 HydrophobicContact CB-CG 4.42Å; I232-L236 HydrophobicContact CD1-CD1 4.45Å; I232-L236 HydrophobicContact CD1-CG 4.1Å; I232-L236 HydrophobicContact CG1-CD1 4.05Å; I232-L236 HydrophobicContact CG1-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CG 3.12Å; I232-L236 PolarHBondContact O-N 2.8Å; A233-L236 PolarHBondContact O-N 2.99Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.99Å; L236-I239 PolarHBondContact O-N 3.08Å; L236-T240 VanDerWaalsContact O-CB 3.27Å; L236-T240 WeakPolarHBondContact O-CB 3.45Å; L236-T240 PolarHBondContact O-N 3.43Å; L236-T240 PolarHBondContact O-OG1 3.29Å
237A97.9Very high94.2Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-62.4-40174.900000111.6A20 L21 A233 I234 T240 K241A20-A237 HydrophobicContact CB-CB 4.01Å; L21-A237 HydrophobicContact CD2-CB 4.4Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 3.5Å; I234-A237 PolarHBondContact O-N 2.9Å; A237-T240 PolarHBondContact O-N 3.45Å; A237-K241 WeakPolarHBondContact O-CB 3.23Å; A237-K241 PolarHBondContact O-N 2.96Å
238R97.1Very high93.9Very high90 Ų9050 Ų5034%0.3425%0.254SS..Hα-helixtrans-63-44.6174.6176.164.2-167.8100.5-10.6112.6I234 S235 L236 A242 E247 S249 L251I234-R238 PolarHBondContact O-N 2.96Å; S235-R238 WeakPolarHBondContact O-CB 3.1Å; S235-R238 PolarHBondContact O-N 2.89Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.99Å; R238-A242 PolarHBondContact O-N 2.66Å; R238-A242 VanDerWaalsContact O-N 3.13Å; R238-E247 IonicContact CZ-OE2 3.74Å; R238-E247 IonicContact NH1-OE2 3.35Å; R238-E247 PolarHBondContact NH1-OE2 3.27Å; R238-E247 IonicContact NH2-OE2 2.78Å; R238-E247 PolarHBondContact NH2-OE2 3.46Å; R238-S249 PolarHBondContact NH2-OG 3.44Å; R238-L251 HydrophobicContact CG-CD2 4.3Å
239I95.3Very high93.4Very high6 Ų650.3 Ų50.33%0.03126%0.258CS..Hα-helixtrans-63-46.1175.8-65.9162.7000109.9L115 S235 L236 K241 A242 I243 L251 V253L115-I239 HydrophobicContact CD1-CD1 4.5Å; L115-I239 HydrophobicContact CD1-CG2 3.91Å; L115-I239 HydrophobicContact CD2-CB 4.34Å; L115-I239 HydrophobicContact CD2-CG2 3.94Å; S235-I239 WeakPolarHBondContact O-CG1 3.49Å; S235-I239 PolarHBondContact O-N 3.09Å; L236-I239 PolarHBondContact O-N 3.08Å; I239-K241 VanDerWaalsContact C-N 3.34Å; I239-K241 PolarHBondContact O-N 3.19Å; I239-A242 WeakPolarHBondContact O-CB 3.49Å; I239-A242 PolarHBondContact O-N 3.15Å; I239-A242 VanDerWaalsContact O-N 3.16Å; I239-I243 HydrophobicContact CG2-CD1 3.88Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 3.43Å; I239-L251 HydrophobicContact CB-CD1 4.38Å; I239-L251 HydrophobicContact CG1-CD1 3.89Å; I239-V253 HydrophobicContact CD1-CG1 3.7Å; I239-V253 HydrophobicContact CG1-CG1 3.96Å
240T97.3Very high93Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-61.3-43.1179.6-62.10000111.9I5 Y17 L21 V26 L72 L236 A237 A242 I243 L244I5-T240 HydrophobicContact CD1-CG2 3.8Å; I5-T240 HydrophobicContact CG1-CG2 4.47Å; Y17-T240 WeakPolarHBondContact OH-CG2 3.43Å; Y17-T240 PolarHBondContact OH-OG1 3.31Å; L21-T240 HydrophobicContact CD2-CG2 3.86Å; V26-T240 HydrophobicContact CG1-CG2 3.87Å; L72-T240 HydrophobicContact CD2-CG2 3.57Å; L236-T240 VanDerWaalsContact O-CB 3.27Å; L236-T240 WeakPolarHBondContact O-CB 3.45Å; L236-T240 PolarHBondContact O-N 3.43Å; L236-T240 PolarHBondContact O-OG1 3.29Å; A237-T240 PolarHBondContact O-N 3.45Å; T240-A242 VanDerWaalsContact C-N 3.34Å; T240-A242 PolarHBondContact O-N 2.82Å; T240-I243 PolarHBondContact O-N 3.12Å; T240-L244 HydrophobicContact CG2-CD1 3.62Å; T240-L244 HydrophobicContact CG2-CG 4.16Å; T240-L244 WeakPolarHBondContact O-CG 3.3Å; T240-L244 PolarHBondContact O-N 3.34Å
241K95.1Very high92.7Very high78 Ų7849.4 Ų49.434%0.33927%0.267SS..Hα-helixtrans-59.5-44.8174.7-172.7179.6176.8-179.30111.6V26 A237 I239 I243 L244 L245 E247V26-K241 HydrophobicContact CG1-CB 4.14Å; V26-K241 HydrophobicContact CG2-CB 3.98Å; V26-K241 HydrophobicContact CG2-CD 4.23Å; V26-K241 HydrophobicContact CG2-CG 4.17Å; A237-K241 WeakPolarHBondContact O-CB 3.23Å; A237-K241 PolarHBondContact O-N 2.96Å; I239-K241 VanDerWaalsContact C-N 3.34Å; I239-K241 PolarHBondContact O-N 3.19Å; K241-I243 VanDerWaalsContact C-N 3.3Å; K241-I243 PolarHBondContact O-N 3.05Å; K241-L244 PolarHBondContact O-N 2.65Å; K241-L245 HydrophobicContact CD-CD1 4.29Å; K241-L245 HydrophobicContact CG-CD1 3.62Å; K241-L245 HydrophobicContact CG-CG 4.24Å; K241-L245 WeakPolarHBondContact O-CB 3.48Å; K241-L245 WeakPolarHBondContact O-CG 3.37Å; K241-L245 PolarHBondContact O-N 3.02Å; K241-E247 VanDerWaalsContact CE-OE1 3.29Å; K241-E247 WeakPolarHBondContact CE-OE1 3.23Å
242A93.1Very high92.3Very high13 Ų1348.3 Ų48.311%0.10725%0.254CS..Hα-helixtrans-59.1-41.617700000112.3R238 I239 T240 D246 E247 L251R238-A242 PolarHBondContact O-N 2.66Å; R238-A242 VanDerWaalsContact O-N 3.13Å; I239-A242 WeakPolarHBondContact O-CB 3.49Å; I239-A242 PolarHBondContact O-N 3.15Å; I239-A242 VanDerWaalsContact O-N 3.16Å; T240-A242 VanDerWaalsContact C-N 3.34Å; T240-A242 PolarHBondContact O-N 2.82Å; A242-D246 PolarHBondContact O-N 2.82Å; A242-E247 WeakPolarHBondContact CA-OE2 3.14Å; A242-E247 PolarHBondContact O-N 3.06Å; A242-L251 HydrophobicContact CB-CD1 4.08Å
243I91.3Very high92Very high43 Ų4348 Ų4822%0.22125%0.253CS..Hα-helixtrans-68.5-53.4179.6-66.8167.1000110.9L72 I113 I140 I239 T240 K241 L245 D246L72-I243 HydrophobicContact CD1-CD1 4.02Å; I113-I243 HydrophobicContact CD1-CG2 3.59Å; I113-I243 HydrophobicContact CG2-CD1 4.35Å; I140-I243 HydrophobicContact CD1-CD1 4.39Å; I239-I243 HydrophobicContact CG2-CD1 3.88Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 3.43Å; T240-I243 PolarHBondContact O-N 3.12Å; K241-I243 VanDerWaalsContact C-N 3.3Å; K241-I243 PolarHBondContact O-N 3.05Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 3.36Å; I243-D246 PolarHBondContact O-N 3.11Å
244L91.8Very high91.5Very high27 Ų2747.9 Ų47.914%0.14125%0.252CS..Hα-helixtrans-73.1-25.4-171.6-65.4178000113.9N3 I5 V26 D71 T240 K241N3-L244 HydrophobicContact CB-CD1 4.31Å; I5-L244 HydrophobicContact CD1-CD1 3.71Å; I5-L244 HydrophobicContact CG1-CD1 3.91Å; V26-L244 HydrophobicContact CG1-CD1 4.32Å; D71-L244 HydrophobicContact CB-CD2 4.01Å; T240-L244 HydrophobicContact CG2-CD1 3.62Å; T240-L244 HydrophobicContact CG2-CG 4.16Å; T240-L244 WeakPolarHBondContact O-CG 3.3Å; T240-L244 PolarHBondContact O-N 3.34Å; K241-L244 PolarHBondContact O-N 2.65Å
245L90Very high90.7Very high99 Ų9943.9 Ų43.952%0.51823%0.232SC..THydrogen-bonded Turntrans-100.35.4177.9-57.5-175.9000113K241 I243 E247K241-L245 HydrophobicContact CD-CD1 4.29Å; K241-L245 HydrophobicContact CG-CD1 3.62Å; K241-L245 HydrophobicContact CG-CG 4.24Å; K241-L245 WeakPolarHBondContact O-CB 3.48Å; K241-L245 WeakPolarHBondContact O-CG 3.37Å; K241-L245 PolarHBondContact O-N 3.02Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 3.36Å; L245-E247 HydrophobicContact CB-CG 3.82Å; L245-E247 PolarHBondContact O-N 2.96Å
246D87.5Confident89.6Confident121 Ų12144 Ų4465%0.64723%0.231SC*.THydrogen-bonded Turntrans49.443.7-178-167.229.7000112.5A242 I243 N248A242-D246 PolarHBondContact O-N 2.82Å; I243-D246 PolarHBondContact O-N 3.11Å; D246-N248 PolarHBondContact O-N 2.7Å; D246-N248 VanDerWaalsContact O-N 3.07Å; D246-N248 PolarHBondContact O-ND2 3.2Å; D246-N248 PolarHBondContact OD1-ND2 3.35Å
247E80.2Confident88.2Confident66 Ų6644.2 Ų44.231%0.30823%0.232SC..  trans-70.4-8.2-171.5-62.3-175.3153.700112.9R238 K241 A242 L245 S249R238-E247 IonicContact CZ-OE2 3.74Å; R238-E247 IonicContact NH1-OE2 3.35Å; R238-E247 PolarHBondContact NH1-OE2 3.27Å; R238-E247 IonicContact NH2-OE2 2.78Å; R238-E247 PolarHBondContact NH2-OE2 3.46Å; K241-E247 VanDerWaalsContact CE-OE1 3.29Å; K241-E247 WeakPolarHBondContact CE-OE1 3.23Å; A242-E247 WeakPolarHBondContact CA-OE2 3.14Å; A242-E247 PolarHBondContact O-N 3.06Å; L245-E247 HydrophobicContact CB-CG 3.82Å; L245-E247 PolarHBondContact O-N 2.96Å; E247-S249 WeakPolarHBondContact CB-OG 3.29Å; E247-S249 PolarHBondContact O-N 2.9Å; E247-S249 PolarHBondContact OE2-OG 3.11Å
248N83.3Confident86.8Confident135 Ų13549.3 Ų49.372%0.72226%0.256SS*.  trans48.936-173.7-70.7-83.3000112.4D246D246-N248 PolarHBondContact O-N 2.7Å; D246-N248 VanDerWaalsContact O-N 3.07Å; D246-N248 PolarHBondContact O-ND2 3.2Å; D246-N248 PolarHBondContact OD1-ND2 3.35Å
249S82.5Confident85.2Confident44 Ų4446.6 Ų46.631%0.30826%0.256SS..  trans-77.1145-175.4-71.40000112.6R238 E247R238-S249 PolarHBondContact NH2-OG 3.44Å; E247-S249 WeakPolarHBondContact CB-OG 3.29Å; E247-S249 PolarHBondContact O-N 2.9Å; E247-S249 PolarHBondContact OE2-OG 3.11Å
250V87.2Confident83.5Confident109 Ų10949.1 Ų49.166%0.66127%0.268SS*.  trans-90.7116.1174.7-177.40000109.9
251L90.2Very high81.7Confident41 Ų4153.7 Ų53.722%0.21529%0.286CS..  trans-134.2142.3-179.2-62.1173.5000110.5R238 I239 A242 V253R238-L251 HydrophobicContact CG-CD2 4.3Å; I239-L251 HydrophobicContact CB-CD1 4.38Å; I239-L251 HydrophobicContact CG1-CD1 3.89Å; A242-L251 HydrophobicContact CB-CD1 4.08Å; L251-V253 HydrophobicContact CB-CG1 4.13Å; L251-V253 PolarHBondContact O-N 3.11Å
252P88.9Confident79.8Confident12 Ų1255.1 Ų55.18%0.07830%0.297CS..  trans-83.185.3177.634.4-32.7000109.2T144 S145 S148 Y169 L171T144-P252 CarbonylContact C-O 3.59Å; T144-P252 PolarHBondContact N-O 3.47Å; S145-P252 WeakPolarHBondContact CA-O 3.24Å; S145-P252 PolarHBondContact N-O 3.24Å; S148-P252 VanDerWaalsContact OG-CG 3.29Å; S148-P252 WeakPolarHBondContact OG-CG 3.35Å; Y169-P252 HydrophobicContact CD1-CB 4.04Å; Y169-P252 HydrophobicContact CD1-CG 3.86Å; Y169-P252 HydrophobicContact CE1-CG 4.34Å; L171-P252 HydrophobicContact CD2-CB 4.13Å
253V90.9Very high77.7Confident12 Ų1257.9 Ų57.97%0.07331%0.305CS..  trans-109.9157.4-179.5-70.60000110.6I140 G141 I239 L251 V255 G270 G271I140-V253 HydrophobicContact CG2-CB 3.64Å; I140-V253 HydrophobicContact CG2-CG1 4.16Å; I140-V253 HydrophobicContact CG2-CG2 3.7Å; G141-V253 CarbonylContact O-C 3.55Å; G141-V253 VanDerWaalsContact O-CB 3.26Å; G141-V253 WeakPolarHBondContact O-CB 3.31Å; I239-V253 HydrophobicContact CD1-CG1 3.7Å; I239-V253 HydrophobicContact CG1-CG1 3.96Å; L251-V253 HydrophobicContact CB-CG1 4.13Å; L251-V253 PolarHBondContact O-N 3.11Å; V253-V255 HydrophobicContact CG2-CG1 3.98Å; V253-V255 PolarHBondContact O-N 3.07Å; V253-G270 WeakPolarHBondContact O-CA 3.36Å; V253-G271 PolarHBondContact O-N 3.2Å
254S87.3Confident75.5Confident0 Ų059.9 Ų59.90%032%0.321CS..EExtended strand (participates in β ladder)trans-72.5124.3172.6-50.90000109.4D122 G141 G143 A269D122-S254 VanDerWaalsContact OD1-CB 3.28Å; D122-S254 WeakPolarHBondContact OD1-CB 3.5Å; D122-S254 PolarHBondContact OD1-OG 3.23Å; G141-S254 PolarHBondContact N-O 3.43Å; G141-S254 PolarHBondContact O-N 3.06Å; G143-S254 WeakPolarHBondContact CA-OG 3.46Å; G143-S254 PolarHBondContact N-OG 3.11Å; S254-A269 WeakPolarHBondContact CA-O 3.47Å
255V81.1Confident73.3Confident13 Ų1365 Ų658%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-137.2153.8177.7-680000109.3V253 L257 A268 A269 A272V253-V255 HydrophobicContact CG2-CG1 3.98Å; V253-V255 PolarHBondContact O-N 3.07Å; V255-L257 PolarHBondContact O-N 3.08Å; V255-A268 VanDerWaalsContact O-CA 3.25Å; V255-A268 WeakPolarHBondContact O-CA 3.25Å; V255-A269 PolarHBondContact N-O 3.36Å; V255-A269 PolarHBondContact O-N 2.74Å; V255-A272 HydrophobicContact CG2-CB 3.93Å; V255-A272 WeakPolarHBondContact CG2-O 3.22Å
256H75.9Confident71.4Confident15 Ų1564.4 Ų64.47%0.06934%0.341CS..EExtended strand (participates in β ladder)trans-71.5127.4177.6-170.580.2000110.7H126 K129 A136 E258 D266H126-H256 AromaticContact CE1-CE1 3.62Å; H126-H256 AromaticContact CE1-ND1 3.92Å; H126-H256 AromaticContact ND1-CE1 3.53Å; H126-H256 AromaticContact ND1-ND1 3.36Å; H126-H256 PolarHBondContact ND1-ND1 3.1Å; K129-H256 HydrophobicContact CD-CB 4.47Å; K129-H256 PolarHBondContact NZ-CD2 3.33Å; K129-H256 VanDerWaalsContact NZ-CD2 3.28Å; K129-H256 PolarHBondContact NZ-CE1 3.47Å; K129-H256 PolarHBondContact NZ-NE2 2.94Å; A136-H256 HydrophobicContact CB-CB 3.85Å; H256-E258 IonicContact CD2-OE1 3.52Å; H256-D266 IonicContact CE1-OD1 4Å
257L68.9Low69.6Low4 Ų461.8 Ų61.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-86.3125.8178.8-50.7-171.5000110.5V255 R263 I267 A269 A272V255-L257 PolarHBondContact O-N 3.08Å; L257-R263 HydrophobicContact CD1-CB 3.82Å; L257-R263 HydrophobicContact CD1-CG 3.8Å; L257-I267 WeakPolarHBondContact CB-O 3.3Å; L257-I267 WeakPolarHBondContact CG-O 3.24Å; L257-I267 PolarHBondContact N-O 3.12Å; L257-A269 HydrophobicContact CD1-CB 4.41Å; L257-A272 HydrophobicContact CD2-CB 2.92Å; L257-A272 HydrophobicContact CG-CB 4.36Å
258E67.2Low67.7Low107 Ų10759 Ų5950%0.532%0.315SS..SBendtrans-119.557.2177.6-61.7-176.2166.900109.5H256H256-E258 IonicContact CD2-OE1 3.52Å
259G64.1Low66.2Low33 Ų3353.3 Ų53.334%0.3429%0.286SS..SBendtrans94.2-5.3178.400000115.3Y261 N262G259-Y261 PolarHBondContact O-N 3.35Å; G259-N262 PolarHBondContact O-N 3.4Å
260Q60.4Low64.1Low59 Ų5951.4 Ų51.428%0.27627%0.273SS..G310 helixtrans-59.3140.2169.8-62.381.53.300110N262 R263Q260-N262 PolarHBondContact O-N 3.17Å; Q260-R263 PolarHBondContact O-N 2.71Å
261Y59.5Low61.8Low97 Ų9746.9 Ų46.938%0.3825%0.248SC..G310 helixtrans61.422.1-178.7-49.4-82.2000115.4G259 R263 G271 A272 I277G259-Y261 PolarHBondContact O-N 3.35Å; Y261-R263 PolarHBondContact O-N 2.82Å; Y261-R263 VanDerWaalsContact O-N 3.11Å; Y261-G271 PolarHBondContact OH-O 3.23Å; Y261-A272 HydrophobicContact CD2-CB 4.21Å; Y261-A272 HydrophobicContact CE2-CB 3.57Å; Y261-I277 HydrophobicContact CE1-CD1 4.07Å; Y261-I277 HydrophobicContact CE2-CD1 4.18Å
262N54.5Low59.1Low107 Ų10745.2 Ų45.257%0.57224%0.241SC*.G310 helixtrans52.728.3-172.6-63.311.1000112.4G259 Q260 E363G259-N262 PolarHBondContact O-N 3.4Å; Q260-N262 PolarHBondContact O-N 3.17Å; N262-E363 PolarHBondContact ND2-OE1 3.36Å
263R50.1Low56.5Low72 Ų7248.6 Ų48.627%0.27227%0.265SS..PPolyproline II helixtrans-78.1143175.1-71.9-83.6-175.5141.51.2108.5L257 Q260 Y261 H265L257-R263 HydrophobicContact CD1-CB 3.82Å; L257-R263 HydrophobicContact CD1-CG 3.8Å; Q260-R263 PolarHBondContact O-N 2.71Å; Y261-R263 PolarHBondContact O-N 2.82Å; Y261-R263 VanDerWaalsContact O-N 3.11Å; R263-H265 PolarHBondContact O-N 2.66Å
264P43.4Very low53.8Low85 Ų8550.3 Ų50.355%0.55229%0.285SS*.PPolyproline II helixtrans-54.2140.3172.48.3-11.9000109.4D266 I267P264-D266 PolarHBondContact O-N 2.73Å; P264-I267 HydrophobicContact CG-CD1 4.38Å
265H45.6Very low51.2Low134 Ų13457.2 Ų57.262%0.6232%0.32SS*.THydrogen-bonded Turntrans-49.7136.1165.3-58.2-75000107.8R263R263-H265 PolarHBondContact O-N 2.66Å
266D50.9Low48.8Very low86 Ų8658.8 Ų58.846%0.4634%0.339SS..THydrogen-bonded Turntrans101.423.9178.1-56.4-41.4000119.8H126 H256 P264H126-D266 VanDerWaalsContact CE1-C 3.46Å; H126-D266 PolarHBondContact CE1-O 3.37Å; H126-D266 PolarHBondContact ND1-O 2.96Å; H256-D266 IonicContact CE1-OD1 4Å; P264-D266 PolarHBondContact O-N 2.73Å
267I49.8Very low47.1Very low67 Ų6762.2 Ų62.234%0.34436%0.357SS..EExtended strand (participates in β ladder)trans-122.5138.5169.2-58.1177.3000109.6L257 P264L257-I267 WeakPolarHBondContact CB-O 3.3Å; L257-I267 WeakPolarHBondContact CG-O 3.24Å; L257-I267 PolarHBondContact N-O 3.12Å; P264-I267 HydrophobicContact CG-CD1 4.38Å
268A41Very low45.6Very low8 Ų868.3 Ų68.37%0.06639%0.389CS..EExtended strand (participates in β ladder)trans-100.1137.6161.500000108.4D122 H126 V255D122-A268 WeakPolarHBondContact O-CB 3.32Å; H126-A268 HydrophobicContact CB-CB 3.85Å; V255-A268 VanDerWaalsContact O-CA 3.25Å; V255-A268 WeakPolarHBondContact O-CA 3.25Å
269A50.9Low44.1Very low14 Ų1465.7 Ų65.712%0.11639%0.385CS..EExtended strand (participates in β ladder)trans-146.6153.1175.500000109.2D122 S254 V255 L257 G271D122-A269 WeakPolarHBondContact OD1-CA 3.38Å; S254-A269 WeakPolarHBondContact CA-O 3.47Å; V255-A269 PolarHBondContact N-O 3.36Å; V255-A269 PolarHBondContact O-N 2.74Å; L257-A269 HydrophobicContact CD1-CB 4.41Å; A269-G271 PolarHBondContact O-N 3.19Å
270G38Very low42.9Very low4 Ų470.3 Ų70.34%0.04140%0.398CS..EExtended strand (participates in β ladder)trans-59.8113.8172.700000111.6D122 G172 V253D122-G270 PolarHBondContact OD1-N 2.66Å; D122-G270 VanDerWaalsContact OD1-N 3.12Å; G172-G270 PolarHBondContact N-O 3.47Å; G172-G270 VanDerWaalsContact N-O 3.08Å; G172-G270 VanDerWaalsContact O-CA 3.31Å; G172-G270 WeakPolarHBondContact O-CA 3.47Å; G172-G270 PolarHBondContact O-N 3.21Å; V253-G270 WeakPolarHBondContact O-CA 3.36Å
271G39.5Very low42Very low14 Ų1471.6 Ų71.614%0.14441%0.414CS..SBendtrans103.451.7162.700000118.2V253 Y261 A269V253-G271 PolarHBondContact O-N 3.2Å; Y261-G271 PolarHBondContact OH-O 3.23Å; A269-G271 PolarHBondContact O-N 3.19Å
272A33.3Very low41Very low7 Ų770.9 Ų70.96%0.05843%0.428CS..  trans-142.968.4178.400000114.9V255 L257 Y261V255-A272 HydrophobicContact CG2-CB 3.93Å; V255-A272 WeakPolarHBondContact CG2-O 3.22Å; L257-A272 HydrophobicContact CD2-CB 2.92Å; L257-A272 HydrophobicContact CG-CB 4.36Å; Y261-A272 HydrophobicContact CD2-CB 4.21Å; Y261-A272 HydrophobicContact CE2-CB 3.57Å
273S35Very low40.3Very low83 Ų8372.2 Ų72.258%0.5843%0.434SS*.  trans-149.1127.1166.351.20000107.1
274G33.3Very low39.4Very low47 Ų4772.2 Ų72.249%0.48546%0.456SS..SBendcis175.3-5.35.500000112.9
275I32.7Very low39.3Very low146 Ų14675.8 Ų75.875%0.74947%0.469SS*.SBendtrans-114.4-23.1-178.6-67.2171.6000113L278 A279I275-L278 PolarHBondContact O-N 2.77Å; I275-A279 PolarHBondContact O-N 3.29Å
276G30.9Very low38.8Very low46 Ų4676 Ų7647%0.47448%0.475SS..Hα-helixtrans-75.3-35-176.900000115.7L278 A279 E280G276-L278 PolarHBondContact O-N 3.43Å; G276-A279 PolarHBondContact O-N 2.93Å; G276-E280 PolarHBondContact O-N 3.31Å
277I39.7Very low38.2Very low87 Ų8780.7 Ų80.745%0.44649%0.486SS..Hα-helixtrans-62.7-26.4172.4-64.3173.4000110.9Y261 S281Y261-I277 HydrophobicContact CE1-CD1 4.07Å; Y261-I277 HydrophobicContact CE2-CD1 4.18Å; I277-S281 WeakPolarHBondContact O-CB 3.36Å; I277-S281 PolarHBondContact O-N 3.35Å
278L37.6Very low37.4Very low131 Ų13186 Ų8669%0.68651%0.507SS*.Hα-helixtrans-84.7-25.8179.8-89.1150.3000113.8I275 G276I275-L278 PolarHBondContact O-N 2.77Å; G276-L278 PolarHBondContact O-N 3.43Å
279A37Very low37Very low52 Ų5294.5 Ų94.543%0.4354%0.542SS..Hα-helixtrans-86.2-33.9178.100000113.4I275 G276 A282 L283I275-A279 PolarHBondContact O-N 3.29Å; G276-A279 PolarHBondContact O-N 2.93Å; A279-A282 WeakPolarHBondContact O-CB 2.88Å; A279-A282 PolarHBondContact O-N 2.96Å; A279-L283 PolarHBondContact O-N 3.49Å
280E38.3Very low36.3Very low131 Ų13197.6 Ų97.661%0.61256%0.556SS**Hα-helixtrans-86.5-22.9179.9-69.8178.6162.700112.6G276 A282 L283G276-E280 PolarHBondContact O-N 3.31Å; E280-A282 PolarHBondContact O-N 3.37Å; E280-L283 PolarHBondContact O-N 2.92Å
281S40.6Very low36.1Very low86 Ų86101.9 Ų101.960%0.60157%0.573SS**THydrogen-bonded Turntrans-63.6-20.3160.1-177.80000112.7I277I277-S281 WeakPolarHBondContact O-CB 3.36Å; I277-S281 PolarHBondContact O-N 3.35Å
282A39.7Very low35.6Very low81 Ų81108.1 Ų108.167%0.66960%0.597SS**THydrogen-bonded Turntrans-91.9-14.3179.100000113.6A279 E280A279-A282 WeakPolarHBondContact O-CB 2.88Å; A279-A282 PolarHBondContact O-N 2.96Å; E280-A282 PolarHBondContact O-N 3.37Å
283L39.3Very low35.5Very low136 Ų136113.2 Ų113.271%0.71262%0.623SS**THydrogen-bonded Turntrans-110.3-3.1-175.2-70.1170.6000115.2A279 E280A279-L283 PolarHBondContact O-N 3.49Å; E280-L283 PolarHBondContact O-N 2.92Å
284G31.7Very low35.7Very low71 Ų71111.3 Ų111.373%0.73261%0.608SS**THydrogen-bonded Turntrans65.546.7159.400000118.1
285I39.9Very low35.7Very low161 Ų161112.9 Ų112.983%0.82661%0.605SS**  trans-126.8142.6177.7-56.3178.9000112.2
286D36.5Very low35.9Very low139 Ų139108.7 Ų108.774%0.74358%0.583SS**  trans-68.9139.7-147.8-164.5-3000118.8
287R38.1Very low36.5Very low183 Ų183108.8 Ų108.869%0.69158%0.584SS**  trans-108.677-172-66-171.9-164.7-171.75.1114.1
288K32.7Very low37Very low179 Ų179106.7 Ų106.778%0.77858%0.578SS**SBendtrans-125-6.1175.3-78-172.8-179.9175.10118.9
289K31.7Very low37.7Very low187 Ų187102 Ų10281%0.81355%0.553SS**SBendtrans-124.3-12.4-175.6-76.4-176.7175.4-178.90117
290I36Very low38.6Very low78 Ų78104.2 Ų104.240%0.456%0.557SS.*SBendtrans-103.3-28.6-171.2-55.8172.8000111.9S183 F292S183-I290 VanDerWaalsContact OG-CD1 3.3Å; S183-I290 WeakPolarHBondContact OG-CD1 3.14Å; S183-I290 WeakPolarHBondContact OG-CG1 3.4Å; S183-I290 VanDerWaalsContact OG-CG2 3.25Å; S183-I290 WeakPolarHBondContact OG-CG2 3.5Å; I290-F292 VanDerWaalsContact C-N 3.32Å; I290-F292 PolarHBondContact O-N 3.26Å
291F34.9Very low39.7Very low94 Ų94104.7 Ų104.741%0.41256%0.558SS.*Hα-helixtrans-72.3-25.2176-122.4-95000112.9N293 L295F291-N293 PolarHBondContact O-N 2.85Å; F291-L295 HydrophobicContact CD1-CD1 4.21Å; F291-L295 HydrophobicContact CE1-CD1 4.31Å; F291-L295 WeakPolarHBondContact O-CB 3.29Å; F291-L295 PolarHBondContact O-N 2.85Å
292F29.1Very low40.8Very low146 Ų146103 Ų10364%0.6454%0.544SS*.Hα-helixtrans-64.9-38.6-172.3-158.1-106.7000112.7I290 I296I290-F292 VanDerWaalsContact C-N 3.32Å; I290-F292 PolarHBondContact O-N 3.26Å; F292-I296 HydrophobicContact CD1-CD1 3.6Å; F292-I296 HydrophobicContact CE1-CD1 3.65Å; F292-I296 HydrophobicContact CG-CD1 4.39Å; F292-I296 HydrophobicContact CZ-CD1 4.47Å; F292-I296 WeakPolarHBondContact O-CB 3.49Å; F292-I296 VanDerWaalsContact O-CD1 3.28Å; F292-I296 WeakPolarHBondContact O-CD1 3.08Å; F292-I296 WeakPolarHBondContact O-CG1 3.39Å; F292-I296 PolarHBondContact O-N 3.21Å
293N31.5Very low42Very low114 Ų11499.4 Ų99.461%0.6151%0.514SS*.Hα-helixtrans-83.9-30.5-176.5-74.7-5.7000114.4F291 I296 G297F291-N293 PolarHBondContact O-N 2.85Å; N293-I296 WeakPolarHBondContact O-CB 3.07Å; N293-I296 PolarHBondContact O-N 3.37Å; N293-G297 PolarHBondContact O-N 2.88Å; N293-G297 VanDerWaalsContact O-N 3.15Å
294T38.6Very low43.4Very low43 Ų4395.4 Ų95.426%0.26450%0.5SS..Hα-helixtrans-76.9-34174.4-50.90000111.7F179 I296 G297 S298F179-T294 HydrophobicContact CE1-CG2 3.79Å; F179-T294 HydrophobicContact CE2-CG2 4.03Å; F179-T294 WeakPolarHBondContact CE2-OG1 3.46Å; F179-T294 HydrophobicContact CZ-CG2 3.34Å; F179-T294 WeakPolarHBondContact CZ-OG1 3.24Å; T294-I296 VanDerWaalsContact C-N 3.32Å; T294-G297 PolarHBondContact O-N 3.42Å; T294-S298 PolarHBondContact O-N 3.17Å; T294-S298 PolarHBondContact O-OG 3.22Å
295L32.9Very low45.1Very low80 Ų8097 Ų9742%0.41949%0.492SS..Hα-helixtrans-64.7-40.2170.1-152.584000109.9F291 G297 S298 L299F291-L295 HydrophobicContact CD1-CD1 4.21Å; F291-L295 HydrophobicContact CE1-CD1 4.31Å; F291-L295 WeakPolarHBondContact O-CB 3.29Å; F291-L295 PolarHBondContact O-N 2.85Å; L295-G297 PolarHBondContact O-N 3.22Å; L295-S298 PolarHBondContact O-N 3.28Å; L295-S298 PolarHBondContact O-OG 2.93Å; L295-L299 HydrophobicContact CB-CD1 4.08Å; L295-L299 HydrophobicContact CD2-CD1 3.47Å; L295-L299 VanDerWaalsContact CD2-CD1 3.47Å; L295-L299 HydrophobicContact CG-CD1 3.46Å; L295-L299 VanDerWaalsContact CG-CD1 3.46Å; L295-L299 HydrophobicContact CG-CG 4.1Å; L295-L299 WeakPolarHBondContact O-CA 3.22Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CD1 3.43Å; L295-L299 WeakPolarHBondContact O-CG 3.35Å; L295-L299 PolarHBondContact O-N 2.85Å
296I37.1Very low46.7Very low57 Ų5794.6 Ų94.629%0.29247%0.472SS..Hα-helixtrans-57.5-43.8173.1-77.9167.8000111.2F292 N293 T294 S298 L299 L300F292-I296 HydrophobicContact CD1-CD1 3.6Å; F292-I296 HydrophobicContact CE1-CD1 3.65Å; F292-I296 HydrophobicContact CG-CD1 4.39Å; F292-I296 HydrophobicContact CZ-CD1 4.47Å; F292-I296 WeakPolarHBondContact O-CB 3.49Å; F292-I296 VanDerWaalsContact O-CD1 3.28Å; F292-I296 WeakPolarHBondContact O-CD1 3.08Å; F292-I296 WeakPolarHBondContact O-CG1 3.39Å; F292-I296 PolarHBondContact O-N 3.21Å; N293-I296 WeakPolarHBondContact O-CB 3.07Å; N293-I296 PolarHBondContact O-N 3.37Å; T294-I296 VanDerWaalsContact C-N 3.32Å; I296-S298 PolarHBondContact O-N 2.88Å; I296-L299 PolarHBondContact O-N 3.41Å; I296-L300 HydrophobicContact CG2-CD1 3.26Å; I296-L300 HydrophobicContact CG2-CG 3.65Å; I296-L300 WeakPolarHBondContact O-CA 3.48Å; I296-L300 WeakPolarHBondContact O-CB 3.46Å; I296-L300 WeakPolarHBondContact O-CG 3.43Å; I296-L300 PolarHBondContact O-N 3.43Å
297G44.1Very low48.6Very low48 Ų4891.5 Ų91.550%0.49546%0.455SS..Hα-helixtrans-61-45.717700000114N293 T294 L295N293-G297 PolarHBondContact O-N 2.88Å; N293-G297 VanDerWaalsContact O-N 3.15Å; T294-G297 PolarHBondContact O-N 3.42Å; L295-G297 PolarHBondContact O-N 3.22Å
298S50.4Low50.5Low44 Ų4488.3 Ų88.331%0.30846%0.456SS..Hα-helixtrans-77.5-23.6177.853.90000114.3T294 L295 I296 P302T294-S298 PolarHBondContact O-N 3.17Å; T294-S298 PolarHBondContact O-OG 3.22Å; L295-S298 PolarHBondContact O-N 3.28Å; L295-S298 PolarHBondContact O-OG 2.93Å; I296-S298 PolarHBondContact O-N 2.88Å; S298-P302 WeakPolarHBondContact O-CD 3.38Å; S298-P302 VanDerWaalsContact O-CG 3.28Å; S298-P302 WeakPolarHBondContact O-CG 3Å
299L52.3Low52.7Low33 Ų3383.6 Ų83.617%0.17344%0.443CS..Hα-helixtrans-80-46.5174.2-78.2162.8000110.7L295 I296 F301 P302 L303 F367 L370L295-L299 HydrophobicContact CB-CD1 4.08Å; L295-L299 HydrophobicContact CD2-CD1 3.47Å; L295-L299 VanDerWaalsContact CD2-CD1 3.47Å; L295-L299 HydrophobicContact CG-CD1 3.46Å; L295-L299 VanDerWaalsContact CG-CD1 3.46Å; L295-L299 HydrophobicContact CG-CG 4.1Å; L295-L299 WeakPolarHBondContact O-CA 3.22Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CD1 3.43Å; L295-L299 WeakPolarHBondContact O-CG 3.35Å; L295-L299 PolarHBondContact O-N 2.85Å; I296-L299 PolarHBondContact O-N 3.41Å; L299-F301 PolarHBondContact O-N 2.85Å; L299-P302 WeakPolarHBondContact O-CD 3.43Å; L299-L303 HydrophobicContact CB-CD1 4.33Å; L299-L303 HydrophobicContact CD2-CD1 4.38Å; L299-L303 WeakPolarHBondContact O-CB 3.27Å; L299-L303 WeakPolarHBondContact O-CD1 3.44Å; L299-L303 PolarHBondContact O-N 2.95Å; L299-L303 VanDerWaalsContact O-N 3.08Å; L299-F367 HydrophobicContact CD2-CD2 3.73Å; L299-F367 HydrophobicContact CD2-CE2 4.11Å; L299-L370 HydrophobicContact CD2-CD2 4.25Å
300L55.9Low55.1Low97 Ų9775.1 Ų75.151%0.50841%0.407SS..Hα-helixtrans-65.5-35.5-172.3-76.4-178.2000112.4I296 L303 A304I296-L300 HydrophobicContact CG2-CD1 3.26Å; I296-L300 HydrophobicContact CG2-CG 3.65Å; I296-L300 WeakPolarHBondContact O-CA 3.48Å; I296-L300 WeakPolarHBondContact O-CB 3.46Å; I296-L300 WeakPolarHBondContact O-CG 3.43Å; I296-L300 PolarHBondContact O-N 3.43Å; L300-L303 CarbonylContact O-C 3.58Å; L300-L303 PolarHBondContact O-N 3.49Å; L300-A304 WeakPolarHBondContact O-CA 3.47Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å; L300-A304 PolarHBondContact O-N 2.86Å
301F61.4Low57.4Low142 Ų14274 Ų7462%0.62340%0.404SS*.Hα-helixtrans-63-57.3-179.4-177.1-99.4000113L299 L303 A304 L305L299-F301 PolarHBondContact O-N 2.85Å; F301-L303 VanDerWaalsContact C-N 3.26Å; F301-L303 PolarHBondContact O-N 2.87Å; F301-A304 PolarHBondContact O-N 3.22Å; F301-L305 HydrophobicContact CD1-CD1 3.97Å; F301-L305 HydrophobicContact CE1-CD1 3.43Å; F301-L305 VanDerWaalsContact CE1-CD1 3.43Å; F301-L305 HydrophobicContact CE2-CD1 4.25Å; F301-L305 HydrophobicContact CZ-CD1 3.6Å; F301-L305 PolarHBondContact O-N 3.11Å; F301-L305 VanDerWaalsContact O-N 3.11Å
302P63.5Low59.7Low49 Ų4971.2 Ų71.232%0.31840%0.401SS..Hα-helixtrans-66.4-26.1175.626.5-34.3000112.9S298 L299 R306 F367S298-P302 WeakPolarHBondContact O-CD 3.38Å; S298-P302 VanDerWaalsContact O-CG 3.28Å; S298-P302 WeakPolarHBondContact O-CG 3Å; L299-P302 WeakPolarHBondContact O-CD 3.43Å; P302-R306 PolarHBondContact O-N 3.21Å; P302-F367 HydrophobicContact CB-CE2 4.1Å; P302-F367 HydrophobicContact CB-CZ 3.6Å; P302-F367 HydrophobicContact CG-CE2 3.58Å; P302-F367 HydrophobicContact CG-CZ 3.64Å
303L65.5Low62.4Low6 Ų665.6 Ų65.63%0.03138%0.378CS..Hα-helixtrans-70.8-37.1169.8-95.2104.7000113.8L299 L300 F301 L305 R306 F367 L370 I374L299-L303 HydrophobicContact CB-CD1 4.33Å; L299-L303 HydrophobicContact CD2-CD1 4.38Å; L299-L303 WeakPolarHBondContact O-CB 3.27Å; L299-L303 WeakPolarHBondContact O-CD1 3.44Å; L299-L303 PolarHBondContact O-N 2.95Å; L299-L303 VanDerWaalsContact O-N 3.08Å; L300-L303 CarbonylContact O-C 3.58Å; L300-L303 PolarHBondContact O-N 3.49Å; F301-L303 VanDerWaalsContact C-N 3.26Å; F301-L303 PolarHBondContact O-N 2.87Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L303-R306 WeakPolarHBondContact O-CB 3.29Å; L303-R306 PolarHBondContact O-N 3.26Å; L303-R306 VanDerWaalsContact O-N 3.11Å; L303-F367 HydrophobicContact CD1-CD2 4.33Å; L303-F367 HydrophobicContact CD1-CE2 3.56Å; L303-F367 HydrophobicContact CD1-CZ 3.82Å; L303-F367 HydrophobicContact CG-CZ 4.47Å; L303-L370 HydrophobicContact CD1-CD2 3.67Å; L303-L370 HydrophobicContact CD2-CD2 3.82Å; L303-L370 HydrophobicContact CG-CD2 4.45Å; L303-I374 HydrophobicContact CD2-CB 3.74Å; L303-I374 HydrophobicContact CD2-CD1 3.04Å; L303-I374 HydrophobicContact CD2-CG1 3.85Å; L303-I374 HydrophobicContact CD2-CG2 4.02Å; L303-I374 HydrophobicContact CG-CD1 4.49Å
304A67.7Low64.8Low52 Ų5260.1 Ų60.143%0.4335%0.349SS..Hα-helixtrans-66.8-39.117800000110.9L300 F301 R306 I307L300-A304 WeakPolarHBondContact O-CA 3.47Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å; L300-A304 PolarHBondContact O-N 2.86Å; F301-A304 PolarHBondContact O-N 3.22Å; A304-R306 PolarHBondContact O-N 3.01Å; A304-I307 VanDerWaalsContact O-CB 3.3Å; A304-I307 WeakPolarHBondContact O-CB 3.3Å; A304-I307 WeakPolarHBondContact O-CG1 3.4Å; A304-I307 PolarHBondContact O-N 3.46Å
305L68.5Low66.9Low106 Ų10662.5 Ų62.556%0.55536%0.359SS*.Hα-helixtrans-58.7-28.4171.6-100.7134.3000113F301 L303 I307 P309F301-L305 HydrophobicContact CD1-CD1 3.97Å; F301-L305 HydrophobicContact CE1-CD1 3.43Å; F301-L305 VanDerWaalsContact CE1-CD1 3.43Å; F301-L305 HydrophobicContact CE2-CD1 4.25Å; F301-L305 HydrophobicContact CZ-CD1 3.6Å; F301-L305 PolarHBondContact O-N 3.11Å; F301-L305 VanDerWaalsContact O-N 3.11Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L305-I307 VanDerWaalsContact C-N 3.32Å; L305-P309 VanDerWaalsContact O-CD 3.31Å; L305-P309 WeakPolarHBondContact O-CD 3.4Å
306R73.6Confident69.2Low110 Ų11060.9 Ų60.942%0.41535%0.351SS..Hα-helixtrans-74.1-19.5175.5-78.7-170148.3-169.4-7.2113.8P302 L303 A304 V308 P309 I310 S371P302-R306 PolarHBondContact O-N 3.21Å; L303-R306 WeakPolarHBondContact O-CB 3.29Å; L303-R306 PolarHBondContact O-N 3.26Å; L303-R306 VanDerWaalsContact O-N 3.11Å; A304-R306 PolarHBondContact O-N 3.01Å; R306-V308 VanDerWaalsContact C-N 3.26Å; R306-V308 PolarHBondContact O-N 3.4Å; R306-P309 VanDerWaalsContact O-CD 3.26Å; R306-P309 WeakPolarHBondContact O-CD 3.37Å; R306-I310 HydrophobicContact CB-CD1 4.02Å; R306-I310 WeakPolarHBondContact O-CD1 3.5Å; R306-I310 WeakPolarHBondContact O-CG1 3.31Å; R306-I310 PolarHBondContact O-N 3.35Å; R306-S371 WeakPolarHBondContact CD-OG 3.42Å; R306-S371 PolarHBondContact NH1-OG 3.18Å
307I74.6Confident71.4Confident74 Ų7458.7 Ų58.738%0.37934%0.339SS..Hα-helixtrans-57.7-39.8-179.6-62.5174000111.2A304 L305 I310 V311A304-I307 VanDerWaalsContact O-CB 3.3Å; A304-I307 WeakPolarHBondContact O-CB 3.3Å; A304-I307 WeakPolarHBondContact O-CG1 3.4Å; A304-I307 PolarHBondContact O-N 3.46Å; L305-I307 VanDerWaalsContact C-N 3.32Å; I307-I310 PolarHBondContact O-N 3.26Å; I307-V311 HydrophobicContact CG2-CG2 4.16Å; I307-V311 VanDerWaalsContact O-CG2 3.24Å; I307-V311 WeakPolarHBondContact O-CG2 3.17Å; I307-V311 PolarHBondContact O-N 3.28Å
308V77.8Confident72.9Confident116 Ų11663.5 Ų63.570%0.70335%0.346SS*.Hα-helixtrans-63.7-53.2-178.8174.10000112.3R306 I310 V311 G312R306-V308 VanDerWaalsContact C-N 3.26Å; R306-V308 PolarHBondContact O-N 3.4Å; V308-I310 VanDerWaalsContact C-N 3.3Å; V308-I310 PolarHBondContact O-N 3.45Å; V308-V311 PolarHBondContact O-N 3.13Å; V308-G312 PolarHBondContact O-N 2.85Å; V308-G312 VanDerWaalsContact O-N 3.14Å
309P80.9Confident74.3Confident80 Ų8067 Ų6752%0.51936%0.36SS..Hα-helixtrans-55.4-41170.5-26.631000113.9L305 R306 V311 G312 V313L305-P309 VanDerWaalsContact O-CD 3.31Å; L305-P309 WeakPolarHBondContact O-CD 3.4Å; R306-P309 VanDerWaalsContact O-CD 3.26Å; R306-P309 WeakPolarHBondContact O-CD 3.37Å; P309-V311 PolarHBondContact O-N 2.67Å; P309-G312 PolarHBondContact O-N 3.22Å; P309-V313 WeakPolarHBondContact O-CG2 3.42Å; P309-V313 PolarHBondContact O-N 3.32Å
310I82.1Confident75.6Confident9 Ų972.7 Ų72.75%0.04639%0.386CS..Hα-helixtrans-62.2-44.2-179.5-64.5159.4000110.8R306 I307 V308 G312 V313 A314 T375 V378 M379R306-I310 HydrophobicContact CB-CD1 4.02Å; R306-I310 WeakPolarHBondContact O-CD1 3.5Å; R306-I310 WeakPolarHBondContact O-CG1 3.31Å; R306-I310 PolarHBondContact O-N 3.35Å; I307-I310 PolarHBondContact O-N 3.26Å; V308-I310 VanDerWaalsContact C-N 3.3Å; V308-I310 PolarHBondContact O-N 3.45Å; I310-G312 VanDerWaalsContact C-N 3.3Å; I310-G312 PolarHBondContact O-N 3.38Å; I310-V313 PolarHBondContact O-N 2.98Å; I310-A314 WeakPolarHBondContact O-CB 3.32Å; I310-A314 PolarHBondContact O-N 2.98Å; I310-T375 HydrophobicContact CD1-CG2 4.21Å; I310-T375 WeakPolarHBondContact CD1-OG1 3.21Å; I310-T375 HydrophobicContact CG1-CG2 3.75Å; I310-T375 HydrophobicContact CG2-CG2 4.2Å; I310-V378 HydrophobicContact CB-CG1 4.39Å; I310-V378 HydrophobicContact CG2-CB 3.83Å; I310-V378 HydrophobicContact CG2-CG1 3.62Å; I310-M379 HydrophobicContact CG2-CG 3.88Å
311V83.2Confident76.7Confident55 Ų5569.4 Ų69.433%0.33337%0.373SS..Hα-helixtrans-60.1-42.5175.6172.10000110.7I307 V308 P309 A314 I315 I382I307-V311 HydrophobicContact CG2-CG2 4.16Å; I307-V311 VanDerWaalsContact O-CG2 3.24Å; I307-V311 WeakPolarHBondContact O-CG2 3.17Å; I307-V311 PolarHBondContact O-N 3.28Å; V308-V311 PolarHBondContact O-N 3.13Å; P309-V311 PolarHBondContact O-N 2.67Å; V311-A314 PolarHBondContact O-N 2.98Å; V311-I315 HydrophobicContact CG1-CD1 3.88Å; V311-I315 HydrophobicContact CG1-CG1 4.49Å; V311-I315 VanDerWaalsContact O-CG1 3.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.37Å; V311-I315 PolarHBondContact O-N 3.38Å; V311-I382 HydrophobicContact CB-CD1 4.22Å; V311-I382 HydrophobicContact CG1-CD1 4.49Å; V311-I382 HydrophobicContact CG2-CD1 3.74Å
312G84.3Confident77.6Confident34 Ų3464.7 Ų64.735%0.35136%0.358SS..Hα-helixtrans-59.7-46.9176.300000113.1V308 P309 I310 I315 L316V308-G312 PolarHBondContact O-N 2.85Å; V308-G312 VanDerWaalsContact O-N 3.14Å; P309-G312 PolarHBondContact O-N 3.22Å; I310-G312 VanDerWaalsContact C-N 3.3Å; I310-G312 PolarHBondContact O-N 3.38Å; G312-I315 PolarHBondContact O-N 3.27Å; G312-L316 WeakPolarHBondContact O-CG 3.5Å; G312-L316 PolarHBondContact O-N 3.48Å
313V84.8Confident78.3Confident28 Ų2866.4 Ų66.417%0.1737%0.37CS..Hα-helixtrans-65.7-41.1177175.70000111.6P309 I310 I315 L316 Y317 T327 L345 M379P309-V313 WeakPolarHBondContact O-CG2 3.42Å; P309-V313 PolarHBondContact O-N 3.32Å; I310-V313 PolarHBondContact O-N 2.98Å; V313-I315 VanDerWaalsContact C-N 3.33Å; V313-I315 PolarHBondContact O-N 3.03Å; V313-L316 WeakPolarHBondContact O-CB 3.5Å; V313-L316 PolarHBondContact O-N 3.33Å; V313-L316 VanDerWaalsContact O-N 3.14Å; V313-Y317 HydrophobicContact CG1-CD2 4.14Å; V313-Y317 HydrophobicContact CG1-CE2 3.62Å; V313-Y317 PolarHBondContact O-N 3.26Å; V313-Y317 VanDerWaalsContact O-N 3.09Å; V313-T327 HydrophobicContact CG1-CG2 3.93Å; V313-T327 HydrophobicContact CG2-CG2 4.27Å; V313-L345 HydrophobicContact CG1-CD2 3.88Å; V313-M379 HydrophobicContact CG1-SD 4.3Å
314A82.4Confident78.9Confident0 Ų067.5 Ų67.50%038%0.384CS..Hα-helixtrans-62.9-38.917800000112.4I310 V311 L316 Y317 K318 M379 I382I310-A314 WeakPolarHBondContact O-CB 3.32Å; I310-A314 PolarHBondContact O-N 2.98Å; V311-A314 PolarHBondContact O-N 2.98Å; A314-L316 VanDerWaalsContact C-N 3.33Å; A314-Y317 PolarHBondContact O-N 2.91Å; A314-K318 PolarHBondContact O-N 3.24Å; A314-M379 HydrophobicContact CB-CG 4.14Å; A314-I382 HydrophobicContact CB-CB 3.8Å; A314-I382 HydrophobicContact CB-CD1 3.72Å; A314-I382 HydrophobicContact CB-CG1 4.37Å; A314-I382 HydrophobicContact CB-CG2 3.58Å
315I81.6Confident79.7Confident92 Ų9267.9 Ų67.947%0.47239%0.393SS..Hα-helixtrans-62.9-41.1174.2-69.2165.9000110.6V311 G312 V313 K318 I319V311-I315 HydrophobicContact CG1-CD1 3.88Å; V311-I315 HydrophobicContact CG1-CG1 4.49Å; V311-I315 VanDerWaalsContact O-CG1 3.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.37Å; V311-I315 PolarHBondContact O-N 3.38Å; G312-I315 PolarHBondContact O-N 3.27Å; V313-I315 VanDerWaalsContact C-N 3.33Å; V313-I315 PolarHBondContact O-N 3.03Å; I315-K318 WeakPolarHBondContact O-CB 3.45Å; I315-K318 PolarHBondContact O-N 3.35Å; I315-I319 PolarHBondContact O-N 3.43Å
316L82.3Confident80.5Confident47 Ų4765.6 Ų65.625%0.24638%0.383CS..Hα-helixtrans-60.7-46.8177.5-71.8169.3000111.8G312 V313 A314 K318 I319 Q320 A321G312-L316 WeakPolarHBondContact O-CG 3.5Å; G312-L316 PolarHBondContact O-N 3.48Å; V313-L316 WeakPolarHBondContact O-CB 3.5Å; V313-L316 PolarHBondContact O-N 3.33Å; V313-L316 VanDerWaalsContact O-N 3.14Å; A314-L316 VanDerWaalsContact C-N 3.33Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.9Å; L316-I319 HydrophobicContact CD2-CD1 4.5Å; L316-I319 CarbonylContact O-C 3.49Å; L316-I319 WeakPolarHBondContact O-CG1 3.39Å; L316-I319 PolarHBondContact O-N 3.25Å; L316-I319 VanDerWaalsContact O-N 3.15Å; L316-Q320 PolarHBondContact O-N 3.05Å; L316-A321 CarbonylContact C-O 3.56Å; L316-A321 HydrophobicContact CB-CB 4.42Å; L316-A321 HydrophobicContact CD2-CB 3.89Å; L316-A321 PolarHBondContact O-N 2.92Å
317Y82.8Confident81Confident10 Ų1060.6 Ų60.64%0.03937%0.365CS..Hα-helixtrans-65.5-35177-65.6-32.7000113.1V313 A314 I319 Q320 T327 P330 L331 P341 L345 M379V313-Y317 HydrophobicContact CG1-CD2 4.14Å; V313-Y317 HydrophobicContact CG1-CE2 3.62Å; V313-Y317 PolarHBondContact O-N 3.26Å; V313-Y317 VanDerWaalsContact O-N 3.09Å; A314-Y317 PolarHBondContact O-N 2.91Å; Y317-I319 PolarHBondContact O-N 2.89Å; Y317-Q320 PolarHBondContact O-N 3.47Å; Y317-T327 VanDerWaalsContact OH-CA 3.22Å; Y317-T327 WeakPolarHBondContact OH-CA 3.08Å; Y317-T327 WeakPolarHBondContact OH-CB 3.35Å; Y317-T327 PolarHBondContact OH-O 2.7Å; Y317-P330 HydrophobicContact CE1-CB 4.44Å; Y317-P330 WeakPolarHBondContact OH-CG 3.1Å; Y317-L331 HydrophobicContact CD1-CD2 3.88Å; Y317-L331 HydrophobicContact CD1-CG 4.25Å; Y317-L331 HydrophobicContact CE1-CD2 4.22Å; Y317-L331 HydrophobicContact CE1-CG 4.09Å; Y317-P341 HydrophobicContact CD1-CB 4.14Å; Y317-P341 HydrophobicContact CD2-CB 3.58Å; Y317-P341 HydrophobicContact CE2-CB 4.01Å; Y317-P341 HydrophobicContact CG-CB 3.66Å; Y317-P341 HydrophobicContact CG-CG 4.47Å; Y317-L345 HydrophobicContact CE2-CB 4.38Å; Y317-L345 HydrophobicContact CE2-CD2 4.22Å; Y317-M379 HydrophobicContact CD2-SD 4.38Å; Y317-M379 HydrophobicContact CE2-SD 4.1Å
318K76Confident81.6Confident150 Ų15061 Ų6165%0.65237%0.367SS*.Hα-helixtrans-60.6-27.7175.1-167.2170.8-175.8168.70113.2A314 I315 L316A314-K318 PolarHBondContact O-N 3.24Å; I315-K318 WeakPolarHBondContact O-CB 3.45Å; I315-K318 PolarHBondContact O-N 3.35Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.9Å
319I78.6Confident82.1Confident116 Ų11657.3 Ų57.360%0.59535%0.345SS*.THydrogen-bonded Turntrans-101.714.517566.9171.6000113.1I315 L316 Y317 A321I315-I319 PolarHBondContact O-N 3.43Å; L316-I319 HydrophobicContact CD2-CD1 4.5Å; L316-I319 CarbonylContact O-C 3.49Å; L316-I319 WeakPolarHBondContact O-CG1 3.39Å; L316-I319 PolarHBondContact O-N 3.25Å; L316-I319 VanDerWaalsContact O-N 3.15Å; Y317-I319 PolarHBondContact O-N 2.89Å; I319-A321 VanDerWaalsContact C-N 3.25Å; I319-A321 HydrophobicContact CD1-CB 3.94Å; I319-A321 HydrophobicContact CG1-CB 3.73Å; I319-A321 PolarHBondContact O-N 3.03Å
320Q80.3Confident82.5Confident153 Ų15353.5 Ų53.572%0.71532%0.321SS*.THydrogen-bonded Turntrans53.936.7-175.7-60.9-168.9-9.900114.2L316 Y317L316-Q320 PolarHBondContact O-N 3.05Å; Y317-Q320 PolarHBondContact O-N 3.47Å
321A78.4Confident82.7Confident29 Ų2955 Ų5524%0.2433%0.328CS..  trans-111.4166.1177.400000112.3L316 I319L316-A321 CarbonylContact C-O 3.56Å; L316-A321 HydrophobicContact CB-CB 4.42Å; L316-A321 HydrophobicContact CD2-CB 3.89Å; L316-A321 PolarHBondContact O-N 2.92Å; I319-A321 VanDerWaalsContact C-N 3.25Å; I319-A321 HydrophobicContact CD1-CB 3.94Å; I319-A321 HydrophobicContact CG1-CB 3.73Å; I319-A321 PolarHBondContact O-N 3.03Å
322S81.7Confident83Confident43 Ų4356 Ų5630%0.30133%0.331SS..  trans-133.5147.3176.3162.80000109.8G324 T327 I328S322-G324 VanDerWaalsContact C-N 3.28Å; S322-G324 PolarHBondContact OG-N 2.76Å; S322-T327 PolarHBondContact OG-OG1 2.7Å; S322-I328 WeakPolarHBondContact OG-CG1 3.24Å
323S77.7Confident83.3Confident84 Ų8457.1 Ų57.159%0.58733%0.326SS*.  trans-86.20.417154.30000113.1T327S323-T327 PolarHBondContact N-OG1 2.98Å; S323-T327 VanDerWaalsContact N-OG1 3.13Å; S323-T327 WeakPolarHBondContact OG-CG2 3.5Å; S323-T327 PolarHBondContact OG-OG1 3.05Å
324G78.3Confident83.4Confident30 Ų3058.9 Ų58.931%0.30933%0.333SS..SBendtrans89.4174.9-168.400000113.4S322 T326 T327S322-G324 VanDerWaalsContact C-N 3.28Å; S322-G324 PolarHBondContact OG-N 2.76Å; G324-T326 PolarHBondContact O-N 2.68Å; G324-T327 PolarHBondContact N-OG1 3Å; G324-T327 PolarHBondContact O-N 2.98Å; G324-T327 PolarHBondContact O-OG1 3.5Å
325G84.3Confident83.6Confident60 Ų6066.5 Ų66.562%0.61937%0.366SS*.G310 helixtrans65.6-127.6176.600000113.6T327 I328G325-T327 PolarHBondContact O-N 3.49Å; G325-T327 VanDerWaalsContact O-N 3.15Å; G325-I328 PolarHBondContact O-N 3.31Å
326T84.3Confident84.1Confident58 Ų5869.8 Ų69.836%0.35637%0.374SS..G310 helixtrans-68-9.7-176.858.40000113.9G324 I328 P329 P330 L345 T348 I352G324-T326 PolarHBondContact O-N 2.68Å; T326-I328 VanDerWaalsContact C-N 3.34Å; T326-P329 WeakPolarHBondContact O-CD 3.31Å; T326-P330 VanDerWaalsContact O-CD 3.24Å; T326-P330 WeakPolarHBondContact O-CD 3.34Å; T326-L345 VanDerWaalsContact O-CD1 3.3Å; T326-L345 WeakPolarHBondContact O-CD1 3.22Å; T326-T348 HydrophobicContact CG2-CG2 4.42Å; T326-I352 HydrophobicContact CG2-CD1 3.35Å
327T84.6Confident84.4Confident5 Ų574.9 Ų74.93%0.03139%0.394CS..G310 helixtrans-84-6.7175.264.50000114.1V313 Y317 S322 S323 G324 G325V313-T327 HydrophobicContact CG1-CG2 3.93Å; V313-T327 HydrophobicContact CG2-CG2 4.27Å; Y317-T327 VanDerWaalsContact OH-CA 3.22Å; Y317-T327 WeakPolarHBondContact OH-CA 3.08Å; Y317-T327 WeakPolarHBondContact OH-CB 3.35Å; Y317-T327 PolarHBondContact OH-O 2.7Å; S322-T327 PolarHBondContact OG-OG1 2.7Å; S323-T327 PolarHBondContact N-OG1 2.98Å; S323-T327 VanDerWaalsContact N-OG1 3.13Å; S323-T327 WeakPolarHBondContact OG-CG2 3.5Å; S323-T327 PolarHBondContact OG-OG1 3.05Å; G324-T327 PolarHBondContact N-OG1 3Å; G324-T327 PolarHBondContact O-N 2.98Å; G324-T327 PolarHBondContact O-OG1 3.5Å; G325-T327 PolarHBondContact O-N 3.49Å; G325-T327 VanDerWaalsContact O-N 3.15Å
328I87Confident84.5Confident83 Ų8377.6 Ų77.643%0.42643%0.425SS..Hα-helixtrans-79.1-49.8177.5-62.3172.8000112.4S322 G325 T326 P330 L331 I332S322-I328 WeakPolarHBondContact OG-CG1 3.24Å; G325-I328 PolarHBondContact O-N 3.31Å; T326-I328 VanDerWaalsContact C-N 3.34Å; I328-P330 VanDerWaalsContact C-CD 3.41Å; I328-P330 VanDerWaalsContact C-N 3.33Å; I328-L331 PolarHBondContact O-N 2.81Å; I328-I332 HydrophobicContact CG2-CD1 3.85Å; I328-I332 HydrophobicContact CG2-CG1 4.32Å; I328-I332 PolarHBondContact O-N 3.41Å
329P89.5Confident84.7Confident38 Ų3873.1 Ų73.125%0.24741%0.407CS..Hα-helixtrans-53.9-39.1-179.3-24.233000114.9T326 L331 I332 F333 T348T326-P329 WeakPolarHBondContact O-CD 3.31Å; P329-L331 PolarHBondContact O-N 3.33Å; P329-I332 WeakPolarHBondContact O-CA 3.42Å; P329-I332 WeakPolarHBondContact O-CB 3.3Å; P329-I332 PolarHBondContact O-N 2.88Å; P329-I332 VanDerWaalsContact O-N 3.11Å; P329-F333 HydrophobicContact CB-CE2 3.93Å; P329-F333 HydrophobicContact CB-CZ 3.91Å; P329-F333 VanDerWaalsContact O-CD2 3.3Å; P329-F333 WeakPolarHBondContact O-CD2 3.26Å; P329-F333 WeakPolarHBondContact O-CG 3.22Å; P329-F333 PolarHBondContact O-N 3.02Å; P329-T348 HydrophobicContact CB-CG2 4.19Å; P329-T348 HydrophobicContact CG-CG2 3.9Å
330P87.7Confident84.9Confident0 Ų070.2 Ų70.20%039%0.393CS..Hα-helixtrans-61.5-39.2178.3-2739.1000114Y317 T326 I328 I332 F333 E334 P341 L345Y317-P330 HydrophobicContact CE1-CB 4.44Å; Y317-P330 WeakPolarHBondContact OH-CG 3.1Å; T326-P330 VanDerWaalsContact O-CD 3.24Å; T326-P330 WeakPolarHBondContact O-CD 3.34Å; I328-P330 VanDerWaalsContact C-CD 3.41Å; I328-P330 VanDerWaalsContact C-N 3.33Å; P330-I332 VanDerWaalsContact C-N 3.32Å; P330-F333 PolarHBondContact O-N 3.06Å; P330-E334 PolarHBondContact O-N 3.48Å; P330-P341 HydrophobicContact CB-CB 4.49Å; P330-P341 WeakPolarHBondContact CB-O 3.42Å; P330-L345 HydrophobicContact CB-CB 4.41Å; P330-L345 VanDerWaalsContact CG-CA 3.43Å; P330-L345 HydrophobicContact CG-CB 3.74Å; P330-L345 HydrophobicContact CG-CD1 3.98Å; P330-L345 HydrophobicContact CG-CG 4.49Å; P330-L345 VanDerWaalsContact CG-N 3.3Å
331L86.6Confident85.1Confident40 Ų4063.3 Ų63.321%0.20936%0.361CS..Hα-helixtrans-68.6-32.3174.7-66.2177.3000112.1Y317 I328 P329 K335Y317-L331 HydrophobicContact CD1-CD2 3.88Å; Y317-L331 HydrophobicContact CD1-CG 4.25Å; Y317-L331 HydrophobicContact CE1-CD2 4.22Å; Y317-L331 HydrophobicContact CE1-CG 4.09Å; I328-L331 PolarHBondContact O-N 2.81Å; P329-L331 PolarHBondContact O-N 3.33Å; L331-K335 VanDerWaalsContact O-CB 3.3Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 PolarHBondContact O-N 3.03Å
332I88.9Confident85.3Confident77 Ų7762 Ų6240%0.39535%0.351SS..Hα-helixtrans-66.1-44.5171.4-63.9174.3000109.3I328 P329 P330 E334 K335 Y336I328-I332 HydrophobicContact CG2-CD1 3.85Å; I328-I332 HydrophobicContact CG2-CG1 4.32Å; I328-I332 PolarHBondContact O-N 3.41Å; P329-I332 WeakPolarHBondContact O-CA 3.42Å; P329-I332 WeakPolarHBondContact O-CB 3.3Å; P329-I332 PolarHBondContact O-N 2.88Å; P329-I332 VanDerWaalsContact O-N 3.11Å; P330-I332 VanDerWaalsContact C-N 3.32Å; I332-E334 PolarHBondContact O-N 3.39Å; I332-K335 PolarHBondContact O-N 3.45Å; I332-Y336 HydrophobicContact CG2-CD2 3.65Å; I332-Y336 HydrophobicContact CG2-CE2 4Å; I332-Y336 VanDerWaalsContact O-CD2 3.29Å; I332-Y336 WeakPolarHBondContact O-CD2 3.19Å; I332-Y336 PolarHBondContact O-N 3.26Å
333F90.9Very high85.5Confident56 Ų5663.8 Ų63.825%0.24636%0.356CS..Hα-helixtrans-66.3-37.7179.6-56.2-30.6000112.7P329 P330 F337 G338 M339P329-F333 HydrophobicContact CB-CE2 3.93Å; P329-F333 HydrophobicContact CB-CZ 3.91Å; P329-F333 VanDerWaalsContact O-CD2 3.3Å; P329-F333 WeakPolarHBondContact O-CD2 3.26Å; P329-F333 WeakPolarHBondContact O-CG 3.22Å; P329-F333 PolarHBondContact O-N 3.02Å; P330-F333 PolarHBondContact O-N 3.06Å; F333-F337 HydrophobicContact CB-CD2 4.33Å; F333-F337 HydrophobicContact CD1-CD2 4.07Å; F333-F337 HydrophobicContact CD1-CE2 4.11Å; F333-F337 CarbonylContact O-C 3.57Å; F333-F337 VanDerWaalsContact O-CA 3.31Å; F333-F337 WeakPolarHBondContact O-CA 3.45Å; F333-F337 VanDerWaalsContact O-CB 3.32Å; F333-F337 WeakPolarHBondContact O-CB 3.19Å; F333-F337 PolarHBondContact O-N 3.43Å; F333-G338 PolarHBondContact O-N 3.23Å; F333-M339 HydrophobicContact CB-CB 4.07Å; F333-M339 HydrophobicContact CB-SD 4.35Å; F333-M339 PolarHBondContact O-N 2.99Å
334E86.7Confident86Confident65 Ų6559.8 Ų59.830%0.30433%0.328SS..Hα-helixtrans-59.9-50.8170.9-174.4-179.7-157.300110.8P330 I332 Y336 G338 M339 P341P330-E334 PolarHBondContact O-N 3.48Å; I332-E334 PolarHBondContact O-N 3.39Å; E334-Y336 PolarHBondContact O-N 3.09Å; E334-G338 VanDerWaalsContact O-CA 3.24Å; E334-G338 WeakPolarHBondContact O-CA 3.24Å; E334-G338 PolarHBondContact O-N 2.81Å; E334-M339 WeakPolarHBondContact CA-O 3.38Å; E334-M339 VanDerWaalsContact CB-O 3.31Å; E334-M339 WeakPolarHBondContact CB-O 3.37Å; E334-P341 HydrophobicContact CB-CG 4.45Å; E334-P341 HydrophobicContact CG-CG 4.43Å; E334-P341 WeakPolarHBondContact OE2-CG 3.36Å
335K87.4Confident86.5Confident161 Ų16158.7 Ų58.770%0.732%0.315SS*.Hα-helixtrans-62.8-41.3-177.3-178.6173.2180174.50113.9L331 I332L331-K335 VanDerWaalsContact O-CB 3.3Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 PolarHBondContact O-N 3.03Å; I332-K335 PolarHBondContact O-N 3.45Å
336Y91.2Very high86.7Confident161 Ų16157.6 Ų57.663%0.63130%0.295SS*.Hα-helixtrans-100.8-26.5-172.3-69.9-75.1000114.1I332 E334I332-Y336 HydrophobicContact CG2-CD2 3.65Å; I332-Y336 HydrophobicContact CG2-CE2 4Å; I332-Y336 VanDerWaalsContact O-CD2 3.29Å; I332-Y336 WeakPolarHBondContact O-CD2 3.19Å; I332-Y336 PolarHBondContact O-N 3.26Å; E334-Y336 PolarHBondContact O-N 3.09Å
337F90.4Very high86.9Confident153 Ų15359.6 Ų59.667%0.67130%0.299SS*.Hα-helixtrans-120.5-1.3-176.3-53.5-68.2000113.6F333 M339F333-F337 HydrophobicContact CB-CD2 4.33Å; F333-F337 HydrophobicContact CD1-CD2 4.07Å; F333-F337 HydrophobicContact CD1-CE2 4.11Å; F333-F337 CarbonylContact O-C 3.57Å; F333-F337 VanDerWaalsContact O-CA 3.31Å; F333-F337 WeakPolarHBondContact O-CA 3.45Å; F333-F337 VanDerWaalsContact O-CB 3.32Å; F333-F337 WeakPolarHBondContact O-CB 3.19Å; F333-F337 PolarHBondContact O-N 3.43Å; F337-M339 PolarHBondContact O-N 3.13Å
338G83.2Confident87.1Confident68 Ų6860.3 Ų60.370%0.70130%0.304SS*.  trans64.621.2-176.900000113.1F333 E334F333-G338 PolarHBondContact O-N 3.23Å; E334-G338 VanDerWaalsContact O-CA 3.24Å; E334-G338 WeakPolarHBondContact O-CA 3.24Å; E334-G338 PolarHBondContact O-N 2.81Å
339M81Confident87.2Confident55 Ų5558 Ų5827%0.27129%0.292SS..  trans-78135.4-178.1-170.3175.6-67.800110.1F333 E334 F337 L343 F347F333-M339 HydrophobicContact CB-CB 4.07Å; F333-M339 HydrophobicContact CB-SD 4.35Å; F333-M339 PolarHBondContact O-N 2.99Å; E334-M339 WeakPolarHBondContact CA-O 3.38Å; E334-M339 VanDerWaalsContact CB-O 3.31Å; E334-M339 WeakPolarHBondContact CB-O 3.37Å; F337-M339 PolarHBondContact O-N 3.13Å; M339-L343 HydrophobicContact CG-CB 4.01Å; M339-L343 HydrophobicContact CG-CD2 4.05Å; M339-L343 HydrophobicContact SD-CB 4.31Å; M339-L343 HydrophobicContact SD-CD2 4.06Å; M339-F347 HydrophobicContact CE-CD2 4.41Å; M339-F347 HydrophobicContact CE-CE2 4.29Å; M339-F347 HydrophobicContact SD-CD2 3.91Å; M339-F347 HydrophobicContact SD-CE2 4.23Å
340N82.9Confident87.1Confident55 Ų5559.1 Ų59.129%0.29430%0.295SS..  trans-59.1134.8173.8170-64.9000110.3S342 L343 G344 E383N340-S342 VanDerWaalsContact C-N 3.3Å; N340-S342 PolarHBondContact O-N 3.04Å; N340-S342 WeakPolarHBondContact OD1-CA 3.46Å; N340-S342 VanDerWaalsContact OD1-CB 3.26Å; N340-S342 WeakPolarHBondContact OD1-CB 3.43Å; N340-S342 PolarHBondContact OD1-N 2.95Å; N340-S342 PolarHBondContact OD1-OG 3.19Å; N340-L343 WeakPolarHBondContact O-CA 3.46Å; N340-L343 WeakPolarHBondContact O-CB 3.4Å; N340-L343 PolarHBondContact O-N 3.26Å; N340-G344 PolarHBondContact O-N 3.02Å; N340-E383 VanDerWaalsContact CG-OE2 3.29Å; N340-E383 PolarHBondContact ND2-OE2 3.4Å; N340-E383 PolarHBondContact OD1-OE2 3.49Å
341P84Confident87.1Confident8 Ų863.4 Ų63.45%0.05232%0.32CS..Hα-helixtrans-54.8-37.6-177.8-29.136.3000114.8Y317 P330 E334 L343 G344 L345Y317-P341 HydrophobicContact CD1-CB 4.14Å; Y317-P341 HydrophobicContact CD2-CB 3.58Å; Y317-P341 HydrophobicContact CE2-CB 4.01Å; Y317-P341 HydrophobicContact CG-CB 3.66Å; Y317-P341 HydrophobicContact CG-CG 4.47Å; P330-P341 HydrophobicContact CB-CB 4.49Å; P330-P341 WeakPolarHBondContact CB-O 3.42Å; E334-P341 HydrophobicContact CB-CG 4.45Å; E334-P341 HydrophobicContact CG-CG 4.43Å; E334-P341 WeakPolarHBondContact OE2-CG 3.36Å; P341-L343 VanDerWaalsContact C-N 3.29Å; P341-L343 PolarHBondContact O-N 3.25Å; P341-G344 PolarHBondContact O-N 3.15Å; P341-L345 PolarHBondContact O-N 3.41Å
342S83.2Confident87.1Confident2 Ų265.3 Ų65.31%0.01433%0.33CS..Hα-helixtrans-61.8-37175.574.40000112.7N340 L346 E383N340-S342 VanDerWaalsContact C-N 3.3Å; N340-S342 PolarHBondContact O-N 3.04Å; N340-S342 WeakPolarHBondContact OD1-CA 3.46Å; N340-S342 VanDerWaalsContact OD1-CB 3.26Å; N340-S342 WeakPolarHBondContact OD1-CB 3.43Å; N340-S342 PolarHBondContact OD1-N 2.95Å; N340-S342 PolarHBondContact OD1-OG 3.19Å; S342-L346 WeakPolarHBondContact O-CB 2.85Å; S342-L346 PolarHBondContact O-N 3.31Å; S342-L346 VanDerWaalsContact O-N 3.11Å; S342-E383 PolarHBondContact N-OE1 3.29Å
343L85.3Confident87Confident80 Ų8062.3 Ų62.342%0.41932%0.315SS..Hα-helixtrans-73.3-39.9175.7-143.997.7000110.6M339 N340 P341 L345 L346 F347M339-L343 HydrophobicContact CG-CB 4.01Å; M339-L343 HydrophobicContact CG-CD2 4.05Å; M339-L343 HydrophobicContact SD-CB 4.31Å; M339-L343 HydrophobicContact SD-CD2 4.06Å; N340-L343 WeakPolarHBondContact O-CA 3.46Å; N340-L343 WeakPolarHBondContact O-CB 3.4Å; N340-L343 PolarHBondContact O-N 3.26Å; P341-L343 VanDerWaalsContact C-N 3.29Å; P341-L343 PolarHBondContact O-N 3.25Å; L343-L345 VanDerWaalsContact C-N 3.32Å; L343-L345 PolarHBondContact O-N 2.95Å; L343-L346 WeakPolarHBondContact O-CB 3.38Å; L343-L346 PolarHBondContact O-N 2.92Å; L343-F347 HydrophobicContact CD2-CD2 4.44Å; L343-F347 HydrophobicContact CD2-CE2 3.89Å; L343-F347 HydrophobicContact CG-CE2 4.36Å; L343-F347 VanDerWaalsContact O-CD2 3.25Å; L343-F347 WeakPolarHBondContact O-CD2 3.48Å; L343-F347 PolarHBondContact O-N 2.99Å
344G88.9Confident86.8Confident0 Ų065.4 Ų65.40%033%0.329CS..Hα-helixtrans-61.3-39.6174.800000112.8N340 P341 F347 T348N340-G344 PolarHBondContact O-N 3.02Å; P341-G344 PolarHBondContact O-N 3.15Å; G344-F347 PolarHBondContact O-N 3.36Å; G344-T348 PolarHBondContact O-N 3.49Å; G344-T348 PolarHBondContact O-OG1 3.37Å
345L88Confident86.6Confident7 Ų768.8 Ų68.84%0.03735%0.346CS..Hα-helixtrans-69.9-41.6177.7-172.162.9000110.8V313 Y317 T326 P330 P341 L343 F347 T348 D349 M379V313-L345 HydrophobicContact CG1-CD2 3.88Å; Y317-L345 HydrophobicContact CE2-CB 4.38Å; Y317-L345 HydrophobicContact CE2-CD2 4.22Å; T326-L345 VanDerWaalsContact O-CD1 3.3Å; T326-L345 WeakPolarHBondContact O-CD1 3.22Å; P330-L345 HydrophobicContact CB-CB 4.41Å; P330-L345 VanDerWaalsContact CG-CA 3.43Å; P330-L345 HydrophobicContact CG-CB 3.74Å; P330-L345 HydrophobicContact CG-CD1 3.98Å; P330-L345 HydrophobicContact CG-CG 4.49Å; P330-L345 VanDerWaalsContact CG-N 3.3Å; P341-L345 PolarHBondContact O-N 3.41Å; L343-L345 VanDerWaalsContact C-N 3.32Å; L343-L345 PolarHBondContact O-N 2.95Å; L345-F347 VanDerWaalsContact C-N 3.31Å; L345-F347 PolarHBondContact O-N 3.5Å; L345-T348 PolarHBondContact O-N 3.38Å; L345-T348 VanDerWaalsContact O-N 3.12Å; L345-D349 WeakPolarHBondContact O-CB 3.17Å; L345-D349 PolarHBondContact O-N 2.89Å; L345-M379 HydrophobicContact CB-CE 4.03Å; L345-M379 HydrophobicContact CB-SD 4.41Å; L345-M379 HydrophobicContact CD2-CE 3.61Å; L345-M379 HydrophobicContact CD2-SD 3.5Å; L345-M379 VanDerWaalsContact CD2-SD 3.5Å; L345-M379 HydrophobicContact CG-CE 4.2Å
346L88Confident86.2Confident37 Ų3762.2 Ų62.219%0.19432%0.321CS..Hα-helixtrans-52.7-48.4172.5-178.686.4000111.3S342 L343 M350 I372S342-L346 WeakPolarHBondContact O-CB 2.85Å; S342-L346 PolarHBondContact O-N 3.31Å; S342-L346 VanDerWaalsContact O-N 3.11Å; L343-L346 WeakPolarHBondContact O-CB 3.38Å; L343-L346 PolarHBondContact O-N 2.92Å; L346-M350 HydrophobicContact CD2-CE 4Å; L346-M350 HydrophobicContact CG-CE 3.92Å; L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 VanDerWaalsContact O-CG 3.32Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 2.81Å; L346-I372 HydrophobicContact CD1-CG2 3.24Å; L346-I372 HydrophobicContact CG-CG2 4.17Å
347F89Confident85.8Confident101 Ų10157.3 Ų57.344%0.44331%0.305SS..Hα-helixtrans-62.2-43.7177-86.7-71.3000112.5M339 L343 G344 L345 M350 V351M339-F347 HydrophobicContact CE-CD2 4.41Å; M339-F347 HydrophobicContact CE-CE2 4.29Å; M339-F347 HydrophobicContact SD-CD2 3.91Å; M339-F347 HydrophobicContact SD-CE2 4.23Å; L343-F347 HydrophobicContact CD2-CD2 4.44Å; L343-F347 HydrophobicContact CD2-CE2 3.89Å; L343-F347 HydrophobicContact CG-CE2 4.36Å; L343-F347 VanDerWaalsContact O-CD2 3.25Å; L343-F347 WeakPolarHBondContact O-CD2 3.48Å; L343-F347 PolarHBondContact O-N 2.99Å; G344-F347 PolarHBondContact O-N 3.36Å; L345-F347 VanDerWaalsContact C-N 3.31Å; L345-F347 PolarHBondContact O-N 3.5Å; F347-M350 HydrophobicContact CD1-CE 4.17Å; F347-M350 HydrophobicContact CE1-CE 4.37Å; F347-M350 PolarHBondContact O-N 2.89Å; F347-V351 WeakPolarHBondContact O-CG2 3.21Å; F347-V351 PolarHBondContact O-N 2.95Å
348T89.4Confident85.3Confident20 Ų2060.3 Ų60.312%0.12331%0.313CS..Hα-helixtrans-62.7-47.6-179.9-53.20000111.3T326 P329 G344 L345 V351 I352T326-T348 HydrophobicContact CG2-CG2 4.42Å; P329-T348 HydrophobicContact CB-CG2 4.19Å; P329-T348 HydrophobicContact CG-CG2 3.9Å; G344-T348 PolarHBondContact O-N 3.49Å; G344-T348 PolarHBondContact O-OG1 3.37Å; L345-T348 PolarHBondContact O-N 3.38Å; L345-T348 VanDerWaalsContact O-N 3.12Å; T348-V351 PolarHBondContact O-N 3.35Å; T348-I352 WeakPolarHBondContact O-CG1 3.32Å; T348-I352 PolarHBondContact O-N 3.41Å
349D87.9Confident85.1Confident33 Ų3362.2 Ų62.218%0.17631%0.311CS..Hα-helixtrans-69.7-34.7-180-72.2-12.6000111.8L345 V351 I352 V353 I372L345-D349 WeakPolarHBondContact O-CB 3.17Å; L345-D349 PolarHBondContact O-N 2.89Å; D349-V351 VanDerWaalsContact C-N 3.34Å; D349-V351 PolarHBondContact O-N 3.05Å; D349-I352 PolarHBondContact O-N 2.96Å; D349-V353 WeakPolarHBondContact O-CB 3.23Å; D349-V353 WeakPolarHBondContact O-CG2 3.49Å; D349-V353 PolarHBondContact O-N 2.81Å; D349-I372 HydrophobicContact CB-CD1 3.62Å; D349-I372 HydrophobicContact CB-CG1 3.79Å
350M87.9Confident84.9Confident63 Ų6365.9 Ų65.931%0.3133%0.326SS..Hα-helixtrans-59.6-44.3174.2-84-160.2-78.600111.6L346 F347 I352 V353 F354 I372L346-M350 HydrophobicContact CD2-CE 4Å; L346-M350 HydrophobicContact CG-CE 3.92Å; L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 VanDerWaalsContact O-CG 3.32Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 2.81Å; F347-M350 HydrophobicContact CD1-CE 4.17Å; F347-M350 HydrophobicContact CE1-CE 4.37Å; F347-M350 PolarHBondContact O-N 2.89Å; M350-I352 VanDerWaalsContact C-N 3.29Å; M350-I352 PolarHBondContact O-N 3.17Å; M350-V353 PolarHBondContact O-N 3.03Å; M350-F354 VanDerWaalsContact O-CD2 3.27Å; M350-F354 WeakPolarHBondContact O-CD2 3.38Å; M350-F354 PolarHBondContact O-N 3.42Å; M350-I372 HydrophobicContact CG-CG2 4.25Å
351V89Confident84.6Confident89 Ų8964.8 Ų64.854%0.53933%0.328SS..Hα-helixtrans-58.8-43176.9173.40000110.9F347 T348 D349 M355F347-V351 WeakPolarHBondContact O-CG2 3.21Å; F347-V351 PolarHBondContact O-N 2.95Å; T348-V351 PolarHBondContact O-N 3.35Å; D349-V351 VanDerWaalsContact C-N 3.34Å; D349-V351 PolarHBondContact O-N 3.05Å; V351-M355 HydrophobicContact CG1-CE 4.22Å; V351-M355 WeakPolarHBondContact O-CG 3.24Å; V351-M355 PolarHBondContact O-N 3.26Å
352I86.3Confident84.3Confident81 Ų8170.7 Ų70.742%0.41535%0.353SS..Hα-helixtrans-65.5-44.2179.4-64.7168.8000111.1T326 T348 D349 M350 M355 S356T326-I352 HydrophobicContact CG2-CD1 3.35Å; T348-I352 WeakPolarHBondContact O-CG1 3.32Å; T348-I352 PolarHBondContact O-N 3.41Å; D349-I352 PolarHBondContact O-N 2.96Å; M350-I352 VanDerWaalsContact C-N 3.29Å; M350-I352 PolarHBondContact O-N 3.17Å; I352-M355 WeakPolarHBondContact O-CB 3.3Å; I352-M355 PolarHBondContact O-N 3.3Å; I352-S356 PolarHBondContact O-N 3.21Å
353V85.7Confident83.7Confident14 Ų1475.3 Ų75.39%0.08537%0.374CS..Hα-helixtrans-68.6-36.7-179.3167.40000112.3D349 M350 M355 S356 L357 F365 A368 I369 I372D349-V353 WeakPolarHBondContact O-CB 3.23Å; D349-V353 WeakPolarHBondContact O-CG2 3.49Å; D349-V353 PolarHBondContact O-N 2.81Å; M350-V353 PolarHBondContact O-N 3.03Å; V353-M355 VanDerWaalsContact C-N 3.27Å; V353-M355 PolarHBondContact O-N 3.15Å; V353-S356 PolarHBondContact O-N 3.26Å; V353-S356 VanDerWaalsContact O-N 3.08Å; V353-S356 PolarHBondContact O-OG 3.14Å; V353-L357 PolarHBondContact O-N 3.19Å; V353-F365 HydrophobicContact CG1-CD2 3.55Å; V353-F365 HydrophobicContact CG1-CE2 3.81Å; V353-F365 WeakPolarHBondContact O-CD2 3.31Å; V353-A368 HydrophobicContact CB-CB 4.22Å; V353-A368 HydrophobicContact CG1-CB 3.64Å; V353-A368 HydrophobicContact CG2-CB 3.47Å; V353-A368 VanDerWaalsContact CG2-CB 3.47Å; V353-I369 HydrophobicContact CG1-CG1 4.02Å; V353-I372 HydrophobicContact CB-CD1 3.92Å; V353-I372 HydrophobicContact CG1-CD1 4.5Å; V353-I372 HydrophobicContact CG2-CD1 3.37Å; V353-I372 HydrophobicContact CG2-CG1 4.48Å
354F86.4Confident83.1Confident121 Ų12176.2 Ų76.253%0.53138%0.376SS..Hα-helixtrans-62-35.8172.2-90.8-74000112.4M350 S356 F365M350-F354 VanDerWaalsContact O-CD2 3.27Å; M350-F354 WeakPolarHBondContact O-CD2 3.38Å; M350-F354 PolarHBondContact O-N 3.42Å; F354-S356 VanDerWaalsContact C-N 3.33Å; F354-F365 HydrophobicContact CD1-CE2 4.01Å; F354-F365 HydrophobicContact CD1-CZ 4.11Å; F354-F365 HydrophobicContact CE1-CE2 4.2Å; F354-F365 AromaticContact CE1-CZ 3.84Å; F354-F365 HydrophobicContact CE1-CZ 3.84Å; F354-F365 HydrophobicContact CG-CE2 4.32Å; F354-F365 HydrophobicContact CZ-CZ 4.24Å
355M83.3Confident82.7Confident135 Ų13577 Ų7767%0.66538%0.38SS*.Hα-helixtrans-70.1-30.7172.9-67.5-172.3-179.200112.5V351 I352 V353 L357V351-M355 HydrophobicContact CG1-CE 4.22Å; V351-M355 WeakPolarHBondContact O-CG 3.24Å; V351-M355 PolarHBondContact O-N 3.26Å; I352-M355 WeakPolarHBondContact O-CB 3.3Å; I352-M355 PolarHBondContact O-N 3.3Å; V353-M355 VanDerWaalsContact C-N 3.27Å; V353-M355 PolarHBondContact O-N 3.15Å; M355-L357 VanDerWaalsContact C-N 3.32Å; M355-L357 PolarHBondContact O-N 3.42Å
356S79.4Confident82.3Confident23 Ų2380.9 Ų80.916%0.16140%0.4CS..Hα-helixtrans-73.9-20.5-178.285.20000113.6I352 V353 F354 Y358 V359 F360I352-S356 PolarHBondContact O-N 3.21Å; V353-S356 PolarHBondContact O-N 3.26Å; V353-S356 VanDerWaalsContact O-N 3.08Å; V353-S356 PolarHBondContact O-OG 3.14Å; F354-S356 VanDerWaalsContact C-N 3.33Å; S356-Y358 PolarHBondContact O-N 3.45Å; S356-V359 PolarHBondContact O-N 3.42Å; S356-F360 PolarHBondContact O-N 3.09Å
357L82Confident81.7Confident58 Ų5882 Ų8230%0.30440%0.403SS..Hα-helixtrans-54-37.6176.4178.862.8000112.6V353 M355 V359 F362 F365V353-L357 PolarHBondContact O-N 3.19Å; M355-L357 VanDerWaalsContact C-N 3.32Å; M355-L357 PolarHBondContact O-N 3.42Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 PolarHBondContact O-N 2.99Å; L357-F362 HydrophobicContact CD1-CD2 4.17Å; L357-F365 HydrophobicContact CB-CB 4.41Å; L357-F365 HydrophobicContact CB-CD2 3.81Å; L357-F365 HydrophobicContact CB-CE2 4.25Å; L357-F365 HydrophobicContact CB-CG 4.18Å; L357-F365 HydrophobicContact CD1-CB 3.64Å; L357-F365 HydrophobicContact CD1-CD1 3.85Å; L357-F365 HydrophobicContact CD1-CD2 4.14Å; L357-F365 HydrophobicContact CD1-CE1 4.48Å; L357-F365 HydrophobicContact CD1-CG 3.63Å; L357-F365 HydrophobicContact CD2-CE2 4.49Å; L357-F365 HydrophobicContact CD2-CZ 4.45Å; L357-F365 HydrophobicContact CG-CD2 4.39Å; L357-F365 HydrophobicContact CG-CG 4.36Å
358Y79.6Confident81.3Confident216 Ų21677.9 Ų77.985%0.84739%0.388SS*.Hα-helixtrans-75.4-17.9179.4-76.5-81.3000114S356S356-Y358 PolarHBondContact O-N 3.45Å
359V80.1Confident81Confident108 Ų10880.5 Ų80.566%0.65540%0.401SS*.Hα-helixtrans-103.2-43.3-172.1-179.10000111.6S356 L357S356-V359 PolarHBondContact O-N 3.42Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 PolarHBondContact O-N 2.99Å
360F75.7Confident80.7Confident132 Ų13282.7 Ų82.758%0.57941%0.412SS*.Hα-helixtrans-106.3-16.1-169.1-63.5-77.1000114.2S356 E364S356-F360 PolarHBondContact O-N 3.09Å; F360-E364 HydrophobicContact CB-CB 3.73Å; F360-E364 HydrophobicContact CB-CG 3.94Å
361G78.2Confident80.3Confident33 Ų3379.8 Ų79.834%0.3440%0.398SS..  trans99.3177.3-177.100000113.3F365G361-F365 WeakPolarHBondContact O-CB 3.17Å; G361-F365 PolarHBondContact O-N 3.43Å
362F77.2Confident80.1Confident132 Ų13276 Ų7658%0.57938%0.375SS*.Hα-helixtrans-75.7-29.8-170.6-174.6-109.1000113.4L357 F365 L366L357-F362 HydrophobicContact CD1-CD2 4.17Å; F362-F365 HydrophobicContact CD2-CD1 4.28Å; F362-F365 HydrophobicContact CE2-CD1 4.35Å; F362-L366 HydrophobicContact CD1-CD1 3.86Å; F362-L366 HydrophobicContact CD1-CG 4.35Å; F362-L366 HydrophobicContact CE1-CD1 3.44Å; F362-L366 VanDerWaalsContact CE1-CD1 3.44Å; F362-L366 HydrophobicContact CE1-CD2 4.49Å; F362-L366 HydrophobicContact CE1-CG 3.99Å; F362-L366 HydrophobicContact CZ-CD1 3.99Å; F362-L366 HydrophobicContact CZ-CD2 4.22Å; F362-L366 HydrophobicContact CZ-CG 4.11Å; F362-L366 WeakPolarHBondContact O-CG 3.43Å; F362-L366 PolarHBondContact O-N 3.07Å
363E69.6Low79.9Confident99 Ų9973.6 Ų73.646%0.46337%0.369SS..Hα-helixtrans-72-45.1-177.6-63.5-166.516200111.4N262 F365 L366 F367N262-E363 PolarHBondContact ND2-OE1 3.36Å; E363-F365 VanDerWaalsContact C-N 3.28Å; E363-F365 PolarHBondContact O-N 3.18Å; E363-L366 PolarHBondContact O-N 2.93Å; E363-F367 PolarHBondContact O-N 2.57Å
364E74.5Confident79.7Confident98 Ų9875.4 Ų75.446%0.45838%0.378SS..Hα-helixtrans-63-37175.2-69.480.2177.800111.2F360 F367 A368F360-E364 HydrophobicContact CB-CB 3.73Å; F360-E364 HydrophobicContact CB-CG 3.94Å; E364-F367 PolarHBondContact O-N 2.89Å; E364-A368 VanDerWaalsContact O-CB 3.29Å; E364-A368 WeakPolarHBondContact O-CB 3.16Å; E364-A368 PolarHBondContact O-N 3.44Å
365F79.5Confident79.5Confident17 Ų1770.4 Ų70.48%0.07536%0.357CS..Hα-helixtrans-62.4-47.1173173.2-105.6000112.2V353 F354 L357 G361 F362 E363 F367 A368 I369V353-F365 HydrophobicContact CG1-CD2 3.55Å; V353-F365 HydrophobicContact CG1-CE2 3.81Å; V353-F365 WeakPolarHBondContact O-CD2 3.31Å; F354-F365 HydrophobicContact CD1-CE2 4.01Å; F354-F365 HydrophobicContact CD1-CZ 4.11Å; F354-F365 HydrophobicContact CE1-CE2 4.2Å; F354-F365 AromaticContact CE1-CZ 3.84Å; F354-F365 HydrophobicContact CE1-CZ 3.84Å; F354-F365 HydrophobicContact CG-CE2 4.32Å; F354-F365 HydrophobicContact CZ-CZ 4.24Å; L357-F365 HydrophobicContact CB-CB 4.41Å; L357-F365 HydrophobicContact CB-CD2 3.81Å; L357-F365 HydrophobicContact CB-CE2 4.25Å; L357-F365 HydrophobicContact CB-CG 4.18Å; L357-F365 HydrophobicContact CD1-CB 3.64Å; L357-F365 HydrophobicContact CD1-CD1 3.85Å; L357-F365 HydrophobicContact CD1-CD2 4.14Å; L357-F365 HydrophobicContact CD1-CE1 4.48Å; L357-F365 HydrophobicContact CD1-CG 3.63Å; L357-F365 HydrophobicContact CD2-CE2 4.49Å; L357-F365 HydrophobicContact CD2-CZ 4.45Å; L357-F365 HydrophobicContact CG-CD2 4.39Å; L357-F365 HydrophobicContact CG-CG 4.36Å; G361-F365 WeakPolarHBondContact O-CB 3.17Å; G361-F365 PolarHBondContact O-N 3.43Å; F362-F365 HydrophobicContact CD2-CD1 4.28Å; F362-F365 HydrophobicContact CE2-CD1 4.35Å; E363-F365 VanDerWaalsContact C-N 3.28Å; E363-F365 PolarHBondContact O-N 3.18Å; F365-F367 VanDerWaalsContact C-N 3.34Å; F365-F367 PolarHBondContact O-N 3.14Å; F365-A368 PolarHBondContact O-N 2.81Å; F365-I369 HydrophobicContact CD1-CD1 3.95Å; F365-I369 HydrophobicContact CD2-CD1 4.33Å; F365-I369 HydrophobicContact CE1-CD1 3.35Å; F365-I369 HydrophobicContact CE1-CG1 4.47Å; F365-I369 HydrophobicContact CE2-CD1 3.78Å; F365-I369 HydrophobicContact CE2-CG1 4.29Å; F365-I369 HydrophobicContact CG-CD1 4.42Å; F365-I369 HydrophobicContact CZ-CD1 3.28Å; F365-I369 HydrophobicContact CZ-CG1 4.26Å; F365-I369 WeakPolarHBondContact O-CG1 3.45Å; F365-I369 PolarHBondContact O-N 3.26Å
366L78.7Confident79.4Confident88 Ų8864.9 Ų64.946%0.46133%0.332SS..Hα-helixtrans-61.2-42.4175.4-76.7174.5000111.9F362 E363 A368 I369 L370F362-L366 HydrophobicContact CD1-CD1 3.86Å; F362-L366 HydrophobicContact CD1-CG 4.35Å; F362-L366 HydrophobicContact CE1-CD1 3.44Å; F362-L366 VanDerWaalsContact CE1-CD1 3.44Å; F362-L366 HydrophobicContact CE1-CD2 4.49Å; F362-L366 HydrophobicContact CE1-CG 3.99Å; F362-L366 HydrophobicContact CZ-CD1 3.99Å; F362-L366 HydrophobicContact CZ-CD2 4.22Å; F362-L366 HydrophobicContact CZ-CG 4.11Å; F362-L366 WeakPolarHBondContact O-CG 3.43Å; F362-L366 PolarHBondContact O-N 3.07Å; E363-L366 PolarHBondContact O-N 2.93Å; L366-A368 VanDerWaalsContact C-N 3.32Å; L366-A368 PolarHBondContact O-N 2.86Å; L366-I369 PolarHBondContact O-N 3.02Å; L366-L370 PolarHBondContact O-N 3.35Å
367F75.5Confident79.4Confident60 Ų6069.2 Ų69.226%0.26335%0.353SS..Hα-helixtrans-59.3-45.3175.8-174.6-94.4000111.5L299 P302 L303 E363 E364 F365 L370 S371L299-F367 HydrophobicContact CD2-CD2 3.73Å; L299-F367 HydrophobicContact CD2-CE2 4.11Å; P302-F367 HydrophobicContact CB-CE2 4.1Å; P302-F367 HydrophobicContact CB-CZ 3.6Å; P302-F367 HydrophobicContact CG-CE2 3.58Å; P302-F367 HydrophobicContact CG-CZ 3.64Å; L303-F367 HydrophobicContact CD1-CD2 4.33Å; L303-F367 HydrophobicContact CD1-CE2 3.56Å; L303-F367 HydrophobicContact CD1-CZ 3.82Å; L303-F367 HydrophobicContact CG-CZ 4.47Å; E363-F367 PolarHBondContact O-N 2.57Å; E364-F367 PolarHBondContact O-N 2.89Å; F365-F367 VanDerWaalsContact C-N 3.34Å; F365-F367 PolarHBondContact O-N 3.14Å; F367-L370 PolarHBondContact O-N 2.68Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.26Å; F367-S371 PolarHBondContact O-N 2.97Å
368A80.5Confident79.4Confident15 Ų1568 Ų6812%0.12435%0.347CS..Hα-helixtrans-66.7-40.9-179.100000111.7V353 E364 F365 L366 S371 I372V353-A368 HydrophobicContact CB-CB 4.22Å; V353-A368 HydrophobicContact CG1-CB 3.64Å; V353-A368 HydrophobicContact CG2-CB 3.47Å; V353-A368 VanDerWaalsContact CG2-CB 3.47Å; E364-A368 VanDerWaalsContact O-CB 3.29Å; E364-A368 WeakPolarHBondContact O-CB 3.16Å; E364-A368 PolarHBondContact O-N 3.44Å; F365-A368 PolarHBondContact O-N 2.81Å; L366-A368 VanDerWaalsContact C-N 3.32Å; L366-A368 PolarHBondContact O-N 2.86Å; A368-S371 PolarHBondContact O-N 3.44Å; A368-I372 WeakPolarHBondContact O-CB 3.41Å; A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.83Å
369I84.5Confident79.4Confident75 Ų7557.7 Ų57.739%0.38531%0.307SS..Hα-helixtrans-60.5-49.5173.1-72.4178000111.5V353 F365 L366 S371 I372 G373V353-I369 HydrophobicContact CG1-CG1 4.02Å; F365-I369 HydrophobicContact CD1-CD1 3.95Å; F365-I369 HydrophobicContact CD2-CD1 4.33Å; F365-I369 HydrophobicContact CE1-CD1 3.35Å; F365-I369 HydrophobicContact CE1-CG1 4.47Å; F365-I369 HydrophobicContact CE2-CD1 3.78Å; F365-I369 HydrophobicContact CE2-CG1 4.29Å; F365-I369 HydrophobicContact CG-CD1 4.42Å; F365-I369 HydrophobicContact CZ-CD1 3.28Å; F365-I369 HydrophobicContact CZ-CG1 4.26Å; F365-I369 WeakPolarHBondContact O-CG1 3.45Å; F365-I369 PolarHBondContact O-N 3.26Å; L366-I369 PolarHBondContact O-N 3.02Å; I369-S371 VanDerWaalsContact C-N 3.26Å; I369-S371 PolarHBondContact O-N 2.96Å; I369-I372 PolarHBondContact O-N 2.94Å; I369-G373 PolarHBondContact O-N 3.02Å
370L80.9Confident79.2Confident80 Ų8055.5 Ų55.542%0.41929%0.292SS..Hα-helixtrans-62.5-40.1-178.1-161.8115000110.8L299 L303 L366 F367 G373 I374L299-L370 HydrophobicContact CD2-CD2 4.25Å; L303-L370 HydrophobicContact CD1-CD2 3.67Å; L303-L370 HydrophobicContact CD2-CD2 3.82Å; L303-L370 HydrophobicContact CG-CD2 4.45Å; L366-L370 PolarHBondContact O-N 3.35Å; F367-L370 PolarHBondContact O-N 2.68Å; L370-G373 PolarHBondContact O-N 3.02Å; L370-I374 HydrophobicContact CD2-CD1 4.3Å; L370-I374 PolarHBondContact O-N 3.41Å; L370-I374 VanDerWaalsContact O-N 3.12Å
371S79.6Confident79.2Confident1 Ų155 Ų551%0.00729%0.287CS..Hα-helixtrans-69.3-35177.1-175.80000113.5R306 F367 A368 I369 G373 I374 T375R306-S371 WeakPolarHBondContact CD-OG 3.42Å; R306-S371 PolarHBondContact NH1-OG 3.18Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.26Å; F367-S371 PolarHBondContact O-N 2.97Å; A368-S371 PolarHBondContact O-N 3.44Å; I369-S371 VanDerWaalsContact C-N 3.26Å; I369-S371 PolarHBondContact O-N 2.96Å; S371-G373 VanDerWaalsContact C-N 3.34Å; S371-I374 PolarHBondContact O-N 3.24Å; S371-T375 WeakPolarHBondContact O-CB 3.28Å; S371-T375 PolarHBondContact O-N 3.44Å; S371-T375 PolarHBondContact O-OG1 3.41Å
372I84.2Confident79.1Confident10 Ų1055.3 Ų55.35%0.05128%0.28CS..Hα-helixtrans-62.1-43.5172.7-78.4172000110.2L346 D349 M350 V353 A368 I369 I374 T375 S376L346-I372 HydrophobicContact CD1-CG2 3.24Å; L346-I372 HydrophobicContact CG-CG2 4.17Å; D349-I372 HydrophobicContact CB-CD1 3.62Å; D349-I372 HydrophobicContact CB-CG1 3.79Å; M350-I372 HydrophobicContact CG-CG2 4.25Å; V353-I372 HydrophobicContact CB-CD1 3.92Å; V353-I372 HydrophobicContact CG1-CD1 4.5Å; V353-I372 HydrophobicContact CG2-CD1 3.37Å; V353-I372 HydrophobicContact CG2-CG1 4.48Å; A368-I372 WeakPolarHBondContact O-CB 3.41Å; A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.83Å; I369-I372 PolarHBondContact O-N 2.94Å; I372-I374 PolarHBondContact O-N 3.47Å; I372-T375 WeakPolarHBondContact O-CB 3.45Å; I372-T375 PolarHBondContact O-N 3.14Å; I372-S376 PolarHBondContact O-N 3.43Å
373G83.4Confident78.7Confident30 Ų3050.6 Ų50.631%0.30926%0.26SS..Hα-helixtrans-59.3-45.6176.300000112.7I369 L370 S371 S376 I377I369-G373 PolarHBondContact O-N 3.02Å; L370-G373 PolarHBondContact O-N 3.02Å; S371-G373 VanDerWaalsContact C-N 3.34Å; G373-S376 PolarHBondContact O-N 3.2Å; G373-I377 WeakPolarHBondContact O-CG1 3.34Å; G373-I377 PolarHBondContact O-N 3.05Å
374I81.4Confident78.6Confident53 Ų5349.7 Ų49.727%0.27226%0.258SS..Hα-helixtrans-68.9-37.1177.5-77.7169.8000112.1L303 L370 S371 I372 S376 I377 V378L303-I374 HydrophobicContact CD2-CB 3.74Å; L303-I374 HydrophobicContact CD2-CD1 3.04Å; L303-I374 HydrophobicContact CD2-CG1 3.85Å; L303-I374 HydrophobicContact CD2-CG2 4.02Å; L303-I374 HydrophobicContact CG-CD1 4.49Å; L370-I374 HydrophobicContact CD2-CD1 4.3Å; L370-I374 PolarHBondContact O-N 3.41Å; L370-I374 VanDerWaalsContact O-N 3.12Å; S371-I374 PolarHBondContact O-N 3.24Å; I372-I374 PolarHBondContact O-N 3.47Å; I374-S376 VanDerWaalsContact C-N 3.31Å; I374-S376 PolarHBondContact O-N 2.67Å; I374-I377 PolarHBondContact O-N 2.8Å; I374-V378 HydrophobicContact CG2-CG2 4.24Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.44Å
375T81.2Confident77.9Confident15 Ų1546.7 Ų46.79%0.09225%0.254CS..Hα-helixtrans-57.6-45.6173.2-58.20000111.1I310 S371 I372 V378 M379I310-T375 HydrophobicContact CD1-CG2 4.21Å; I310-T375 WeakPolarHBondContact CD1-OG1 3.21Å; I310-T375 HydrophobicContact CG1-CG2 3.75Å; I310-T375 HydrophobicContact CG2-CG2 4.2Å; S371-T375 WeakPolarHBondContact O-CB 3.28Å; S371-T375 PolarHBondContact O-N 3.44Å; S371-T375 PolarHBondContact O-OG1 3.41Å; I372-T375 WeakPolarHBondContact O-CB 3.45Å; I372-T375 PolarHBondContact O-N 3.14Å; T375-V378 PolarHBondContact O-N 3.48Å; T375-M379 HydrophobicContact CG2-CE 3.54Å; T375-M379 HydrophobicContact CG2-SD 4.43Å; T375-M379 WeakPolarHBondContact O-CB 3.42Å; T375-M379 WeakPolarHBondContact O-CG 3.11Å; T375-M379 PolarHBondContact O-N 2.68Å
376S81.4Confident76.7Confident19 Ų1951.6 Ų51.613%0.13328%0.28CS..Hα-helixtrans-64.3-43.1176.6-176.10000112.6I372 G373 I374 N380I372-S376 PolarHBondContact O-N 3.43Å; G373-S376 PolarHBondContact O-N 3.2Å; I374-S376 VanDerWaalsContact C-N 3.31Å; I374-S376 PolarHBondContact O-N 2.67Å; S376-N380 WeakPolarHBondContact O-CB 3.47Å; S376-N380 PolarHBondContact O-N 3.46Å
377I79.7Confident75.6Confident115 Ų11554.1 Ų54.159%0.5929%0.287SS*.Hα-helixtrans-61.1-48.2177-67.9166.8000111G373 I374 Y381G373-I377 WeakPolarHBondContact O-CG1 3.34Å; G373-I377 PolarHBondContact O-N 3.05Å; I374-I377 PolarHBondContact O-N 2.8Å; I377-Y381 WeakPolarHBondContact O-CB 3.47Å; I377-Y381 PolarHBondContact O-N 3.26Å
378V81.9Confident75.2Confident31 Ų3159.5 Ų59.519%0.18831%0.306CS..Hα-helixtrans-68.4-42.5-178.1174.90000111.1I310 I374 T375 Y381 I382I310-V378 HydrophobicContact CB-CG1 4.39Å; I310-V378 HydrophobicContact CG2-CB 3.83Å; I310-V378 HydrophobicContact CG2-CG1 3.62Å; I374-V378 HydrophobicContact CG2-CG2 4.24Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.44Å; T375-V378 PolarHBondContact O-N 3.48Å; V378-Y381 WeakPolarHBondContact O-CB 3.37Å; V378-Y381 PolarHBondContact O-N 3.19Å; V378-I382 HydrophobicContact CG1-CD1 3.82Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 VanDerWaalsContact O-CG1 3.28Å; V378-I382 WeakPolarHBondContact O-CG1 3.07Å; V378-I382 PolarHBondContact O-N 2.75Å
379M79.6Confident75.3Confident1 Ų160.1 Ų60.11%0.00531%0.305CS..Hα-helixtrans-60.9-49.7174.4-83.2-173.1-62.800111.7I310 V313 A314 Y317 L345 T375 Y381 I382 E383I310-M379 HydrophobicContact CG2-CG 3.88Å; V313-M379 HydrophobicContact CG1-SD 4.3Å; A314-M379 HydrophobicContact CB-CG 4.14Å; Y317-M379 HydrophobicContact CD2-SD 4.38Å; Y317-M379 HydrophobicContact CE2-SD 4.1Å; L345-M379 HydrophobicContact CB-CE 4.03Å; L345-M379 HydrophobicContact CB-SD 4.41Å; L345-M379 HydrophobicContact CD2-CE 3.61Å; L345-M379 HydrophobicContact CD2-SD 3.5Å; L345-M379 VanDerWaalsContact CD2-SD 3.5Å; L345-M379 HydrophobicContact CG-CE 4.2Å; T375-M379 HydrophobicContact CG2-CE 3.54Å; T375-M379 HydrophobicContact CG2-SD 4.43Å; T375-M379 WeakPolarHBondContact O-CB 3.42Å; T375-M379 WeakPolarHBondContact O-CG 3.11Å; T375-M379 PolarHBondContact O-N 2.68Å; M379-Y381 PolarHBondContact O-N 3.43Å; M379-I382 PolarHBondContact O-N 2.98Å; M379-E383 WeakPolarHBondContact O-CB 3.4Å; M379-E383 WeakPolarHBondContact O-CG 3.09Å; M379-E383 PolarHBondContact O-N 3.05Å
380N76.8Confident75.4Confident62 Ų6259.2 Ų59.233%0.33230%0.298SS..Hα-helixtrans-59.3-37.7179.8-172.4-4.2000111.2S376 N384S376-N380 WeakPolarHBondContact O-CB 3.47Å; S376-N380 PolarHBondContact O-N 3.46Å; N380-N384 WeakPolarHBondContact O-CB 2.98Å; N380-N384 PolarHBondContact O-N 2.95Å; N380-N384 PolarHBondContact OD1-ND2 2.96Å
381Y75.2Confident76Confident121 Ų12156 Ų5648%0.47528%0.283SS..Hα-helixtrans-67.2-36.7174.3177.8-88.5000113.8I377 V378 M379 G385 L386I377-Y381 WeakPolarHBondContact O-CB 3.47Å; I377-Y381 PolarHBondContact O-N 3.26Å; V378-Y381 WeakPolarHBondContact O-CB 3.37Å; V378-Y381 PolarHBondContact O-N 3.19Å; M379-Y381 PolarHBondContact O-N 3.43Å; Y381-G385 CarbonylContact O-C 3.59Å; Y381-G385 WeakPolarHBondContact O-CA 3.5Å; Y381-G385 PolarHBondContact O-N 2.92Å; Y381-L386 HydrophobicContact CD2-CD2 4.44Å; Y381-L386 HydrophobicContact CD2-CG 4.37Å; Y381-L386 HydrophobicContact CE1-CD1 4.29Å; Y381-L386 HydrophobicContact CE1-CG 3.97Å; Y381-L386 HydrophobicContact CE2-CB 4.4Å; Y381-L386 HydrophobicContact CE2-CD1 4.37Å; Y381-L386 HydrophobicContact CE2-CD2 3.28Å; Y381-L386 HydrophobicContact CE2-CG 3.37Å; Y381-L386 VanDerWaalsContact CZ-CD2 3.45Å; Y381-L386 WeakPolarHBondContact OH-CD1 3.35Å; Y381-L386 WeakPolarHBondContact OH-CD2 3.08Å; Y381-L386 WeakPolarHBondContact OH-CG 3.28Å
382I75.5Confident76.7Confident40 Ų4056 Ų5621%0.20528%0.283CS..Hα-helixtrans-76.1-39.3177.8-67.5167.9000111.3V311 A314 V378 M379V311-I382 HydrophobicContact CB-CD1 4.22Å; V311-I382 HydrophobicContact CG1-CD1 4.49Å; V311-I382 HydrophobicContact CG2-CD1 3.74Å; A314-I382 HydrophobicContact CB-CB 3.8Å; A314-I382 HydrophobicContact CB-CD1 3.72Å; A314-I382 HydrophobicContact CB-CG1 4.37Å; A314-I382 HydrophobicContact CB-CG2 3.58Å; V378-I382 HydrophobicContact CG1-CD1 3.82Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 VanDerWaalsContact O-CG1 3.28Å; V378-I382 WeakPolarHBondContact O-CG1 3.07Å; V378-I382 PolarHBondContact O-N 2.75Å; M379-I382 PolarHBondContact O-N 2.98Å
383E69.1Low77.2Confident33 Ų3357.5 Ų57.515%0.15429%0.291CS..Hα-helixtrans-67-53.6178.1-73.9176.4-175.100111.2N340 S342 M379N340-E383 VanDerWaalsContact CG-OE2 3.29Å; N340-E383 PolarHBondContact ND2-OE2 3.4Å; N340-E383 PolarHBondContact OD1-OE2 3.49Å; S342-E383 PolarHBondContact N-OE1 3.29Å; M379-E383 WeakPolarHBondContact O-CB 3.4Å; M379-E383 WeakPolarHBondContact O-CG 3.09Å; M379-E383 PolarHBondContact O-N 3.05Å
384N66.9Low77.7Confident79 Ų7956.1 Ų56.142%0.42228%0.276SS..Hα-helixtrans-90.8-12.1-175-64.7-37.9000113.7N380N380-N384 WeakPolarHBondContact O-CB 2.98Å; N380-N384 PolarHBondContact O-N 2.95Å; N380-N384 PolarHBondContact OD1-ND2 2.96Å
385G60.7Low78.2Confident36 Ų3655.2 Ų55.237%0.37127%0.271SS..  trans76.3156.3179.800000115Y381 K387Y381-G385 CarbonylContact O-C 3.59Å; Y381-G385 WeakPolarHBondContact O-CA 3.5Å; Y381-G385 PolarHBondContact O-N 2.92Å; G385-K387 PolarHBondContact O-N 2.84Å; G385-K387 VanDerWaalsContact O-N 3.08Å
386L53.8Low78.5Confident119 Ų11954.7 Ų54.762%0.62327%0.268SS*.SBendtrans-53.2-24.1173.6-100.9159.4000115.8Y381 R388Y381-L386 HydrophobicContact CD2-CD2 4.44Å; Y381-L386 HydrophobicContact CD2-CG 4.37Å; Y381-L386 HydrophobicContact CE1-CD1 4.29Å; Y381-L386 HydrophobicContact CE1-CG 3.97Å; Y381-L386 HydrophobicContact CE2-CB 4.4Å; Y381-L386 HydrophobicContact CE2-CD1 4.37Å; Y381-L386 HydrophobicContact CE2-CD2 3.28Å; Y381-L386 HydrophobicContact CE2-CG 3.37Å; Y381-L386 VanDerWaalsContact CZ-CD2 3.45Å; Y381-L386 WeakPolarHBondContact OH-CD1 3.35Å; Y381-L386 WeakPolarHBondContact OH-CD2 3.08Å; Y381-L386 WeakPolarHBondContact OH-CG 3.28Å; L386-R388 PolarHBondContact O-N 3.08Å
387K56.5Low78.5Confident141 Ų14159.7 Ų59.761%0.61329%0.29SS*.  trans-102.758.5-151.9-71.3-171.2-176.2-178.10111.2G385 R389G385-K387 PolarHBondContact O-N 2.84Å; G385-K387 VanDerWaalsContact O-N 3.08Å; K387-R389 PolarHBondContact O-N 3.19Å
388R65.6Low78.7Confident174 Ų17460.1 Ų60.166%0.65729%0.293SS*.  trans-54.6126.8165.5-68.9-171.3-179.5-164.90.1108.7L386L386-R388 PolarHBondContact O-N 3.08Å
389R82.6Confident79.2Confident28 Ų2863.7 Ų63.711%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-97.8163.6178-55.9-55.6-172.4-162.910.8109.4K387 V435 V436 V462 V465 F470K387-R389 PolarHBondContact O-N 3.19Å; R389-V435 HydrophobicContact CB-CG1 4.07Å; R389-V436 WeakPolarHBondContact CA-O 3.37Å; R389-V462 HydrophobicContact CB-CB 4.39Å; R389-V462 PolarHBondContact N-O 3.47Å; R389-V462 PolarHBondContact O-N 3.15Å; R389-V465 HydrophobicContact CB-CG2 3.79Å; R389-V465 HydrophobicContact CG-CB 4.3Å; R389-V465 HydrophobicContact CG-CG2 3.77Å; R389-F470 HydrophobicContact CG-CD1 4.35Å; R389-F470 PolarHBondContact NH2-O 3.24Å
390K88.2Confident79.6Confident55 Ų5564.3 Ų64.324%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-117.5124.5173.2-69.2-171.3169.7-149.40108.9V435 V436 Y441 T459 Y460K390-V435 CarbonylContact O-C 3.53Å; K390-V435 WeakPolarHBondContact O-CA 3.4Å; K390-V436 HydrophobicContact CB-CG2 4.27Å; K390-V436 PolarHBondContact N-O 2.86Å; K390-V436 PolarHBondContact O-N 3.02Å; K390-Y441 HydrophobicContact CD-CD1 4.37Å; K390-Y441 HydrophobicContact CD-CD2 3.78Å; K390-Y441 HydrophobicContact CD-CE2 4.42Å; K390-Y441 HydrophobicContact CD-CG 3.77Å; K390-T459 HydrophobicContact CB-CG2 3.96Å; K390-T459 HydrophobicContact CD-CG2 3.84Å; K390-T459 HydrophobicContact CG-CG2 4.18Å; K390-Y460 CarbonylContact C-O 3.57Å; K390-Y460 VanDerWaalsContact CA-O 3.29Å; K390-Y460 WeakPolarHBondContact CA-O 3.33Å
391A92.6Very high80.3Confident13 Ų1367.5 Ų67.511%0.10732%0.319CS..EExtended strand (participates in β ladder)trans-90.8123.816500000107.7V435 T459 Y460 V462A391-V435 HydrophobicContact CB-CG2 4.31Å; A391-T459 CarbonylContact O-C 3.54Å; A391-T459 WeakPolarHBondContact O-CA 3.3Å; A391-Y460 PolarHBondContact N-O 3.48Å; A391-Y460 PolarHBondContact O-N 3.08Å; A391-V462 HydrophobicContact CB-CG2 3.5Å
392I94.2Very high81.1Confident0 Ų066.1 Ų66.10%032%0.317CS..EExtended strand (participates in β ladder)trans-115.5124.7-177.1-50.8170.5000107.3I394 M433 V434 V436 Y441 V444 M457 I458 T459I392-I394 HydrophobicContact CG2-CD1 4.29Å; I392-I394 HydrophobicContact CG2-CG1 3.76Å; I392-M433 CarbonylContact O-C 3.59Å; I392-M433 VanDerWaalsContact O-CA 3.29Å; I392-M433 WeakPolarHBondContact O-CA 3.35Å; I392-V434 HydrophobicContact CB-CG1 3.96Å; I392-V434 HydrophobicContact CD1-CG1 4.25Å; I392-V434 PolarHBondContact N-O 2.84Å; I392-V434 PolarHBondContact O-N 2.9Å; I392-V436 HydrophobicContact CD1-CG2 3.49Å; I392-V436 VanDerWaalsContact CD1-CG2 3.49Å; I392-V436 HydrophobicContact CG1-CG2 4.22Å; I392-Y441 HydrophobicContact CD1-CD2 3.66Å; I392-Y441 HydrophobicContact CD1-CE2 4.19Å; I392-Y441 HydrophobicContact CG1-CD2 4.18Å; I392-Y441 HydrophobicContact CG1-CE2 4.44Å; I392-V444 HydrophobicContact CD1-CB 3.9Å; I392-V444 HydrophobicContact CD1-CG1 3.67Å; I392-V444 HydrophobicContact CD1-CG2 3.96Å; I392-V444 HydrophobicContact CG2-CG1 4.48Å; I392-M457 HydrophobicContact CG2-CE 3.49Å; I392-M457 VanDerWaalsContact CG2-CE 3.49Å; I392-I458 CarbonylContact C-O 3.48Å; I392-I458 WeakPolarHBondContact CA-O 3.42Å; I392-T459 HydrophobicContact CG1-CG2 4.22Å
393M95Very high81.9Confident43 Ų4364.2 Ų64.221%0.21231%0.307CS..EExtended strand (participates in β ladder)trans-106.9119.2172.1-63.3170.772.600108.2M431 I432 M433 M457 I458 Y460M393-M431 HydrophobicContact CB-CG 4.41Å; M393-M431 HydrophobicContact CB-SD 4.24Å; M393-M431 HydrophobicContact CE-CE 3.98Å; M393-M431 HydrophobicContact CE-SD 3.13Å; M393-M431 WeakPolarHBondContact CE-SD 3.48Å; M393-I432 CarbonylContact C-O 3.58Å; M393-I432 VanDerWaalsContact CA-O 3.3Å; M393-I432 WeakPolarHBondContact CA-O 3.19Å; M393-M433 HydrophobicContact CG-CB 4.5Å; M393-M433 HydrophobicContact CG-CG 4.29Å; M393-M457 CarbonylContact O-C 3.55Å; M393-M457 VanDerWaalsContact O-CA 3.32Å; M393-M457 WeakPolarHBondContact O-CA 3.46Å; M393-I458 HydrophobicContact CB-CB 4.34Å; M393-I458 PolarHBondContact N-O 2.55Å; M393-I458 PolarHBondContact O-N 3.41Å; M393-Y460 HydrophobicContact CG-CE2 4.32Å; M393-Y460 HydrophobicContact SD-CD2 4.37Å; M393-Y460 HydrophobicContact SD-CE2 3.53Å; M393-Y460 VanDerWaalsContact SD-CE2 3.53Å
394I94.1Very high83Confident1 Ų166.7 Ų66.71%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-115129.2-173.6-51.3162.5000108.3I392 I403 L407 M431 I432 V434 V444 V448 M457I392-I394 HydrophobicContact CG2-CD1 4.29Å; I392-I394 HydrophobicContact CG2-CG1 3.76Å; I394-I403 HydrophobicContact CD1-CG2 4.48Å; I394-I403 HydrophobicContact CG2-CD1 4.39Å; I394-I403 HydrophobicContact CG2-CG2 4.39Å; I394-L407 HydrophobicContact CD1-CD1 3.67Å; I394-M431 CarbonylContact O-C 3.37Å; I394-M431 WeakPolarHBondContact O-CA 3.29Å; I394-I432 HydrophobicContact CB-CB 4.33Å; I394-I432 PolarHBondContact N-O 2.99Å; I394-I432 PolarHBondContact O-N 3.27Å; I394-V434 HydrophobicContact CD1-CG1 4.34Å; I394-V444 HydrophobicContact CD1-CG1 4.06Å; I394-V448 HydrophobicContact CD1-CG2 3.76Å; I394-V448 HydrophobicContact CG1-CG2 4.35Å; I394-V448 HydrophobicContact CG2-CG1 3.94Å; I394-V448 HydrophobicContact CG2-CG2 4.08Å; I394-M457 HydrophobicContact CG1-CE 4.46Å; I394-M457 HydrophobicContact CG1-CG 4.22Å; I394-M457 HydrophobicContact CG2-CG 4.26Å
395I90.5Very high84.2Confident33 Ų3366 Ų6617%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-125.5116.2175.7-49.1172.1000107.9M431 S455 F456I395-M431 HydrophobicContact CD1-CE 3.52Å; I395-M431 HydrophobicContact CG1-CB 4.15Å; I395-M431 HydrophobicContact CG1-CE 3.83Å; I395-M431 HydrophobicContact CG1-CG 3.84Å; I395-S455 CarbonylContact O-C 3.57Å; I395-S455 WeakPolarHBondContact O-CA 3.2Å; I395-F456 HydrophobicContact CB-CB 4.36Å; I395-F456 HydrophobicContact CD1-CD1 4.09Å; I395-F456 PolarHBondContact N-O 3.36Å; I395-F456 PolarHBondContact O-N 3.49Å
396S88.7Confident85.7Confident4 Ų467.8 Ų67.83%0.02831%0.31CS..  trans-111.2153.6169.3176.40000109.6Y399 T400 D452S396-Y399 PolarHBondContact OG-N 2.83Å; S396-Y399 VanDerWaalsContact OG-N 3.08Å; S396-T400 PolarHBondContact O-OG1 3.22Å; S396-D452 VanDerWaalsContact CB-OD2 3.3Å; S396-D452 WeakPolarHBondContact CB-OD2 3.45Å; S396-D452 PolarHBondContact OG-OD2 3.24Å
397Q80.3Confident87.6Confident124 Ų12462.1 Ų62.158%0.57928%0.28SS*.SBendtrans-80.1-45.8176.7-68.6-170.319.200111.8
398D85.1Confident89.2Confident125 Ų12559.1 Ų59.167%0.66827%0.274SS*.SBendtrans-125.8-11.9-167.9-56.8-55000113.1
399Y91.1Very high90.3Very high105 Ų10557.1 Ų57.141%0.41228%0.276SS..  trans-120.819.8-168-55.6-79.5000114.2S396 K401 E402 I403 I451 D452S396-Y399 PolarHBondContact OG-N 2.83Å; S396-Y399 VanDerWaalsContact OG-N 3.08Å; Y399-K401 PolarHBondContact O-N 2.83Å; Y399-E402 VanDerWaalsContact CA-OE2 3.28Å; Y399-E402 WeakPolarHBondContact CA-OE2 3.29Å; Y399-E402 PolarHBondContact O-N 3.23Å; Y399-I403 VanDerWaalsContact O-CG1 3.31Å; Y399-I403 WeakPolarHBondContact O-CG1 3.38Å; Y399-I403 PolarHBondContact O-N 3.16Å; Y399-I451 HydrophobicContact CG-CG2 4.27Å; Y399-D452 HydrophobicContact CD2-CB 3.86Å; Y399-D452 HydrophobicContact CG-CB 4.36Å
400T89.5Confident90.7Very high15 Ų1560.5 Ų60.59%0.09229%0.293CS..Hα-helixtrans-60.3-36.1-176.6-55.30000112.2S396 R404 E430 I432S396-T400 PolarHBondContact O-OG1 3.22Å; T400-R404 WeakPolarHBondContact O-CB 3.47Å; T400-R404 PolarHBondContact O-N 3.41Å; T400-E430 HydrophobicContact CG2-CB 3.69Å; T400-I432 HydrophobicContact CG2-CD1 3.69Å; T400-I432 HydrophobicContact CG2-CG1 3.81Å
401K90.3Very high90.5Very high128 Ų12858.4 Ų58.456%0.55729%0.285SS*.Hα-helixtrans-68.7-46.1179.5-173178.9176.2-174.30111.5Y399 I403 R404 D405Y399-K401 PolarHBondContact O-N 2.83Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 3.47Å; K401-R404 PolarHBondContact O-N 3.26Å; K401-D405 WeakPolarHBondContact O-CB 3.39Å; K401-D405 PolarHBondContact O-N 3.16Å
402E92.4Very high90Very high93 Ų9365.8 Ų65.844%0.43532%0.322SS..Hα-helixtrans-61.1-44.3177.7-68.280.3175.600110.9Y399 D405 Q406 I451Y399-E402 VanDerWaalsContact CA-OE2 3.28Å; Y399-E402 WeakPolarHBondContact CA-OE2 3.29Å; Y399-E402 PolarHBondContact O-N 3.23Å; E402-D405 PolarHBondContact O-N 2.74Å; E402-Q406 WeakPolarHBondContact O-CB 3.08Å; E402-Q406 PolarHBondContact O-N 2.78Å; E402-I451 HydrophobicContact CB-CG2 3.9Å
403I92.9Very high89.4Confident0 Ų068.1 Ų68.10%033%0.331CS..Hα-helixtrans-60.6-47.8175.2-68.7169.5000110.4I394 Y399 K401 D405 Q406 L407 I432 V448 I451 D452I394-I403 HydrophobicContact CD1-CG2 4.48Å; I394-I403 HydrophobicContact CG2-CD1 4.39Å; I394-I403 HydrophobicContact CG2-CG2 4.39Å; Y399-I403 VanDerWaalsContact O-CG1 3.31Å; Y399-I403 WeakPolarHBondContact O-CG1 3.38Å; Y399-I403 PolarHBondContact O-N 3.16Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 3.47Å; I403-D405 PolarHBondContact O-N 3.35Å; I403-Q406 PolarHBondContact O-N 3.39Å; I403-L407 HydrophobicContact CG2-CD1 3.61Å; I403-L407 HydrophobicContact CG2-CG 4.16Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 WeakPolarHBondContact O-CG 3.32Å; I403-L407 PolarHBondContact O-N 3.06Å; I403-I432 HydrophobicContact CB-CD1 4.36Å; I403-I432 HydrophobicContact CG2-CD1 3.95Å; I403-V448 HydrophobicContact CD1-CG1 4.39Å; I403-V448 HydrophobicContact CG2-CG2 3.93Å; I403-I451 HydrophobicContact CG1-CB 3.99Å; I403-I451 HydrophobicContact CG1-CD1 4.11Å; I403-I451 HydrophobicContact CG1-CG2 3.72Å; I403-D452 HydrophobicContact CD1-CB 4.24Å
404R91.9Very high88.8Confident84 Ų8469.1 Ų69.132%0.31735%0.352SS..Hα-helixtrans-61.1-46.2179.7-174.1-170.767.2-170.5-0.7111.6T400 K401 Q406 L407 T408 M415 I432T400-R404 WeakPolarHBondContact O-CB 3.47Å; T400-R404 PolarHBondContact O-N 3.41Å; K401-R404 PolarHBondContact O-N 3.26Å; R404-Q406 VanDerWaalsContact C-N 3.35Å; R404-L407 PolarHBondContact O-N 3.08Å; R404-T408 WeakPolarHBondContact O-CB 3.36Å; R404-T408 PolarHBondContact O-N 2.71Å; R404-T408 PolarHBondContact O-OG1 2.83Å; R404-M415 HydrophobicContact CG-CE 3.88Å; R404-M415 WeakPolarHBondContact O-CE 3.33Å; R404-I432 HydrophobicContact CB-CD1 3.87Å
405D92.1Very high88.5Confident66 Ų6671.2 Ų71.235%0.35336%0.363SS..Hα-helixtrans-67-40.4-176.5-65.2-7.5000110K401 E402 I403 T408 N409K401-D405 WeakPolarHBondContact O-CB 3.39Å; K401-D405 PolarHBondContact O-N 3.16Å; E402-D405 PolarHBondContact O-N 2.74Å; I403-D405 PolarHBondContact O-N 3.35Å; D405-T408 PolarHBondContact O-N 2.79Å; D405-N409 VanDerWaalsContact O-CG 3.25Å; D405-N409 PolarHBondContact O-N 2.8Å; D405-N409 VanDerWaalsContact O-N 3.14Å; D405-N409 PolarHBondContact O-ND2 3.25Å
406Q92.3Very high88.5Confident72 Ų7273 Ų7334%0.33638%0.375SS..Hα-helixtrans-67.9-43.2175.5-166.767.1900112.6E402 I403 R404 T408 N409 E410 I447 I451E402-Q406 WeakPolarHBondContact O-CB 3.08Å; E402-Q406 PolarHBondContact O-N 2.78Å; I403-Q406 PolarHBondContact O-N 3.39Å; R404-Q406 VanDerWaalsContact C-N 3.35Å; Q406-T408 VanDerWaalsContact C-N 3.3Å; Q406-T408 PolarHBondContact O-N 2.9Å; Q406-N409 PolarHBondContact O-N 3.06Å; Q406-E410 HydrophobicContact CG-CG 4.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.38Å; Q406-E410 WeakPolarHBondContact O-CB 3.5Å; Q406-E410 WeakPolarHBondContact O-CG 3.13Å; Q406-E410 PolarHBondContact O-N 2.82Å; Q406-I447 HydrophobicContact CB-CG2 3.83Å; Q406-I447 HydrophobicContact CG-CG1 4.3Å; Q406-I447 HydrophobicContact CG-CG2 3.58Å; Q406-I451 HydrophobicContact CB-CD1 3.73Å; Q406-I451 HydrophobicContact CG-CD1 4.12Å
407L93Very high88.6Confident1 Ų175.5 Ų75.51%0.00539%0.39CS..Hα-helixtrans-63-37.7176-71.2174.4000111.6I394 I403 R404 N409 E410 L411 M415 V444 I447I394-L407 HydrophobicContact CD1-CD1 3.67Å; I403-L407 HydrophobicContact CG2-CD1 3.61Å; I403-L407 HydrophobicContact CG2-CG 4.16Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 WeakPolarHBondContact O-CG 3.32Å; I403-L407 PolarHBondContact O-N 3.06Å; R404-L407 PolarHBondContact O-N 3.08Å; L407-N409 VanDerWaalsContact C-N 3.32Å; L407-N409 PolarHBondContact O-N 3.46Å; L407-E410 PolarHBondContact O-N 2.83Å; L407-L411 HydrophobicContact CB-CD1 4.29Å; L407-L411 HydrophobicContact CD2-CD1 3.61Å; L407-L411 WeakPolarHBondContact O-CA 3.37Å; L407-L411 WeakPolarHBondContact O-CB 3.3Å; L407-L411 PolarHBondContact O-N 3.02Å; L407-M415 HydrophobicContact CB-CE 4.02Å; L407-M415 HydrophobicContact CB-SD 3.78Å; L407-M415 HydrophobicContact CD1-SD 4.03Å; L407-V444 HydrophobicContact CD2-CB 4.29Å; L407-V444 HydrophobicContact CD2-CG1 3.97Å; L407-V444 HydrophobicContact CD2-CG2 4.27Å; L407-I447 HydrophobicContact CD2-CB 4.14Å; L407-I447 HydrophobicContact CD2-CD1 3.89Å; L407-I447 HydrophobicContact CD2-CG2 3.91Å; L407-I447 HydrophobicContact CG-CG2 4.14Å
408T90.2Very high89Confident78 Ų7873.9 Ų73.948%0.47938%0.381SS..Hα-helixtrans-65.3-36.1176.8-52.70000111.9R404 D405 Q406 M415R404-T408 WeakPolarHBondContact O-CB 3.36Å; R404-T408 PolarHBondContact O-N 2.71Å; R404-T408 PolarHBondContact O-OG1 2.83Å; D405-T408 PolarHBondContact O-N 2.79Å; Q406-T408 VanDerWaalsContact C-N 3.3Å; Q406-T408 PolarHBondContact O-N 2.9Å; T408-M415 WeakPolarHBondContact OG1-CE 3.32Å
409N89.7Confident89.2Confident131 Ų13175.2 Ų75.270%0.70139%0.389SS*.Hα-helixtrans-74.9-36.2179.5-70.1-24.8000112.7D405 Q406 L407D405-N409 VanDerWaalsContact O-CG 3.25Å; D405-N409 PolarHBondContact O-N 2.8Å; D405-N409 VanDerWaalsContact O-N 3.14Å; D405-N409 PolarHBondContact O-ND2 3.25Å; Q406-N409 PolarHBondContact O-N 3.06Å; L407-N409 VanDerWaalsContact C-N 3.32Å; L407-N409 PolarHBondContact O-N 3.46Å
410E89.8Confident88.9Confident100 Ų10071.5 Ų71.547%0.46738%0.38SS..Hα-helixtrans-92.4-20.1-174.6-66.7-87.1-176.600113Q406 L407 L443 I447Q406-E410 HydrophobicContact CG-CG 4.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.38Å; Q406-E410 WeakPolarHBondContact O-CB 3.5Å; Q406-E410 WeakPolarHBondContact O-CG 3.13Å; Q406-E410 PolarHBondContact O-N 2.82Å; L407-E410 PolarHBondContact O-N 2.83Å; E410-L443 HydrophobicContact CB-CD2 4.45Å; E410-I447 HydrophobicContact CB-CD1 3.6Å; E410-I447 HydrophobicContact CG-CD1 3.75Å
411L85Confident88.6Confident10 Ų1077.9 Ų77.95%0.05240%0.402CS..  trans-126.7122.5-177.1-56.3164.4000110.5L407 R413 E440 L443 V444L407-L411 HydrophobicContact CB-CD1 4.29Å; L407-L411 HydrophobicContact CD2-CD1 3.61Å; L407-L411 WeakPolarHBondContact O-CA 3.37Å; L407-L411 WeakPolarHBondContact O-CB 3.3Å; L407-L411 PolarHBondContact O-N 3.02Å; L411-R413 HydrophobicContact CB-CB 4.25Å; L411-R413 HydrophobicContact CB-CG 4.11Å; L411-R413 PolarHBondContact O-N 3.36Å; L411-E440 HydrophobicContact CD2-CB 4.34Å; L411-E440 HydrophobicContact CD2-CG 4.36Å; L411-L443 HydrophobicContact CD2-CD2 3.91Å; L411-V444 HydrophobicContact CD1-CG2 3.54Å
412D80.9Confident88Confident169 Ų16972.6 Ų72.690%0.90438%0.383SS*.  trans-77.858.8169.2-171.629.9000110.7
413R81.5Confident87.5Confident48 Ų4872 Ų7218%0.18140%0.402CS..  trans-133138-174-61.5-60-170.1-170.3-16.6111.5L411 V434 E440 G469 F470L411-R413 HydrophobicContact CB-CB 4.25Å; L411-R413 HydrophobicContact CB-CG 4.11Å; L411-R413 PolarHBondContact O-N 3.36Å; R413-V434 HydrophobicContact CB-CG2 4.28Å; R413-E440 IonicContact CZ-OE1 3.28Å; R413-E440 IonicContact CZ-OE2 3.08Å; R413-E440 IonicContact NE-OE1 3.02Å; R413-E440 PolarHBondContact NE-OE1 2.92Å; R413-E440 IonicContact NE-OE2 2.82Å; R413-E440 PolarHBondContact NE-OE2 3.05Å; R413-E440 IonicContact NH2-OE1 3.99Å; R413-E440 PolarHBondContact NH2-OE1 2.92Å; R413-E440 IonicContact NH2-OE2 3.61Å; R413-E440 PolarHBondContact NH2-OE2 3.36Å; R413-G469 PolarHBondContact NH1-O 3.28Å; R413-F470 VanDerWaalsContact NH1-CE1 3.33Å; R413-F470 VanDerWaalsContact NH1-CZ 3.34Å
414G83.5Confident86.7Confident64 Ų6481.4 Ų81.466%0.6644%0.443SS*.  trans-66.6142.8168.100000111.6
415M88.7Confident85.8Confident45 Ų4582.7 Ų82.722%0.22246%0.456CS..EExtended strand (participates in β ladder)trans-124.2146.9174.8-63.7-174.4-79.600110R404 L407 T408 I432 M433 V434R404-M415 HydrophobicContact CG-CE 3.88Å; R404-M415 WeakPolarHBondContact O-CE 3.33Å; L407-M415 HydrophobicContact CB-CE 4.02Å; L407-M415 HydrophobicContact CB-SD 3.78Å; L407-M415 HydrophobicContact CD1-SD 4.03Å; T408-M415 WeakPolarHBondContact OG1-CE 3.32Å; M415-I432 HydrophobicContact CB-CG2 4.18Å; M415-I432 HydrophobicContact CG-CG2 4.35Å; M415-I432 HydrophobicContact SD-CG2 3.8Å; M415-M433 WeakPolarHBondContact CA-O 3.18Å; M415-V434 HydrophobicContact CG-CB 3.91Å; M415-V434 HydrophobicContact CG-CG2 3.79Å; M415-V434 HydrophobicContact SD-CB 4.41Å; M415-V434 HydrophobicContact SD-CG2 4.46Å
416T89.4Confident85Confident70 Ų7084 Ų8443%0.42946%0.464SS..EExtended strand (participates in β ladder)trans-113.1127.8173.4-54.80000108.7F418 M433T416-F418 HydrophobicContact CG2-CD2 4.38Å; T416-F418 HydrophobicContact CG2-CE1 4.49Å; T416-F418 HydrophobicContact CG2-CE2 3.85Å; T416-F418 HydrophobicContact CG2-CZ 3.92Å; T416-M433 PolarHBondContact N-O 2.75Å; T416-M433 PolarHBondContact O-N 3.15Å
417V90.4Very high84.3Confident57 Ų5782.8 Ų82.835%0.34546%0.462SS..EExtended strand (participates in β ladder)trans-99.8130.7175.3-176.20000108.5E430 M431V417-E430 HydrophobicContact CG1-CB 3.94Å; V417-E430 HydrophobicContact CG1-CG 4.09Å; V417-M431 CarbonylContact C-O 3.6Å; V417-M431 WeakPolarHBondContact CA-O 3.41Å
418F90.2Very high83.8Confident90 Ų9089.2 Ų89.240%0.39550%0.497SS..EExtended strand (participates in β ladder)trans-108.9134.1173.4-65.5-87.7000109.4T416 A420 M431 M433T416-F418 HydrophobicContact CG2-CD2 4.38Å; T416-F418 HydrophobicContact CG2-CE1 4.49Å; T416-F418 HydrophobicContact CG2-CE2 3.85Å; T416-F418 HydrophobicContact CG2-CZ 3.92Å; F418-A420 PolarHBondContact O-N 2.88Å; F418-M431 HydrophobicContact CB-CB 4.34Å; F418-M431 PolarHBondContact N-O 3.4Å; F418-M431 PolarHBondContact O-N 2.96Å; F418-M433 HydrophobicContact CD2-CB 4.17Å; F418-M433 HydrophobicContact CE2-CB 3.66Å; F418-M433 HydrophobicContact CE2-CE 4.25Å; F418-M433 HydrophobicContact CE2-CG 4.42Å; F418-M433 HydrophobicContact CE2-SD 3.98Å; F418-M433 HydrophobicContact CZ-CE 4.4Å; F418-M433 HydrophobicContact CZ-SD 4.39Å
419D88Confident83.4Confident153 Ų15388.4 Ų88.482%0.81849%0.485SS*.EExtended strand (participates in β ladder)trans-71.4120.2163.8-62.4-39.1000108.5
420A84.9Confident83.4Confident27 Ų2785.9 Ų85.922%0.22347%0.469CS..EExtended strand (participates in β ladder)trans-123.2154.3-17900000110F418 D428 R429 M431F418-A420 PolarHBondContact O-N 2.88Å; A420-D428 CarbonylContact O-C 3.46Å; A420-R429 CarbonylContact C-O 3.53Å; A420-R429 WeakPolarHBondContact CA-O 3.41Å; A420-R429 PolarHBondContact N-O 3.22Å; A420-R429 PolarHBondContact O-N 2.75Å; A420-M431 HydrophobicContact CB-CB 4.23Å; A420-M431 HydrophobicContact CB-CE 4.35Å
421R83Confident83.4Confident150 Ų15082.3 Ų82.357%0.56645%0.453SS*.EExtended strand (participates in β ladder)trans-123.5124.7176.9-159.1172.1-169.4-156.5-6110.5G423 D426 C427 D428R421-G423 PolarHBondContact O-N 3.45Å; R421-D426 IonicContact CZ-OD1 3.62Å; R421-D426 IonicContact CZ-OD2 2.66Å; R421-D426 VanDerWaalsContact CZ-OD2 3.22Å; R421-D426 PolarHBondContact NE-O 3.3Å; R421-D426 IonicContact NE-OD1 3.62Å; R421-D426 PolarHBondContact NE-OD1 2.86Å; R421-D426 IonicContact NE-OD2 2.7Å; R421-D426 IonicContact NH1-OD1 2.7Å; R421-D426 PolarHBondContact NH1-OD1 2.76Å; R421-D426 IonicContact NH1-OD2 3.92Å; R421-D426 PolarHBondContact NH2-O 3.22Å; R421-D426 IonicContact NH2-OD1 2.68Å; R421-D426 PolarHBondContact NH2-OD1 2.85Å; R421-D426 IonicContact NH2-OD2 3.17Å; R421-D426 PolarHBondContact NH2-OD2 3.19Å; R421-C427 WeakPolarHBondContact CA-O 3.38Å; R421-D428 IonicContact NE-OD1 2.75Å
422G78.6Confident83.8Confident16 Ų1681.9 Ų81.917%0.16545%0.45CS..EExtended strand (participates in β ladder)trans-74.9105.2-178.600000111.5K424 N425 D426 C427G422-K424 PolarHBondContact O-N 2.84Å; G422-N425 PolarHBondContact O-N 3.01Å; G422-D426 WeakPolarHBondContact O-CA 3.36Å; G422-D426 PolarHBondContact O-N 3.35Å; G422-C427 PolarHBondContact N-O 3Å
423G80.5Confident84.4Confident80 Ų8076.5 Ų76.583%0.82542%0.42SS*.THydrogen-bonded Turntrans-60.4-17.6-172.400000117R421R421-G423 PolarHBondContact O-N 3.45Å
424K76.7Confident85Confident199 Ų19974.2 Ų74.287%0.86541%0.412SS*.THydrogen-bonded Turntrans-81.2-36.6177.7-170177.9177.5179.80113.4G422G422-K424 PolarHBondContact O-N 2.84Å
425N72.5Confident85.3Confident110 Ų11072.4 Ų72.459%0.58839%0.388SS*.THydrogen-bonded Turntrans-117.50.3-173.8-64-0.1000112.7G422 C427G422-N425 PolarHBondContact O-N 3.01Å; N425-C427 PolarHBondContact O-N 2.97Å; N425-C427 VanDerWaalsContact O-N 3.14Å
426D77Confident85.3Confident95 Ų9570.3 Ų70.351%0.50838%0.377SS..THydrogen-bonded Turntrans53.828.9-178.1-147.728.4000114.4R421 G422R421-D426 IonicContact CZ-OD1 3.62Å; R421-D426 IonicContact CZ-OD2 2.66Å; R421-D426 VanDerWaalsContact CZ-OD2 3.22Å; R421-D426 PolarHBondContact NE-O 3.3Å; R421-D426 IonicContact NE-OD1 3.62Å; R421-D426 PolarHBondContact NE-OD1 2.86Å; R421-D426 IonicContact NE-OD2 2.7Å; R421-D426 IonicContact NH1-OD1 2.7Å; R421-D426 PolarHBondContact NH1-OD1 2.76Å; R421-D426 IonicContact NH1-OD2 3.92Å; R421-D426 PolarHBondContact NH2-O 3.22Å; R421-D426 IonicContact NH2-OD1 2.68Å; R421-D426 PolarHBondContact NH2-OD1 2.85Å; R421-D426 IonicContact NH2-OD2 3.17Å; R421-D426 PolarHBondContact NH2-OD2 3.19Å; G422-D426 WeakPolarHBondContact O-CA 3.36Å; G422-D426 PolarHBondContact O-N 3.35Å
427C77.3Confident85.2Confident46 Ų4667.7 Ų67.731%0.31136%0.362SS..EExtended strand (participates in β ladder)trans-94.6137.2-179.261.30000112.1R421 G422 N425 R429R421-C427 WeakPolarHBondContact CA-O 3.38Å; G422-C427 PolarHBondContact N-O 3Å; N425-C427 PolarHBondContact O-N 2.97Å; N425-C427 VanDerWaalsContact O-N 3.14Å; C427-R429 PolarHBondContact SG-NE 2.82Å; C427-R429 PolarHBondContact SG-NH2 3.47Å; C427-R429 VanDerWaalsContact SG-NH2 3.41Å
428D82.1Confident84.8Confident136 Ų13667 Ų6773%0.72737%0.366SS*.EExtended strand (participates in β ladder)trans-67.8140.7172-60.3-31.7000109.8A420 R421A420-D428 CarbonylContact O-C 3.46Å; R421-D428 IonicContact NE-OD1 2.75Å
429R82.6Confident84.4Confident61 Ų6171.3 Ų71.323%0.2339%0.387CS..EExtended strand (participates in β ladder)trans-145.8149.9-177.1-59.7-174.8-173.5-159.9-6.2109.3A420 C427A420-R429 CarbonylContact C-O 3.53Å; A420-R429 WeakPolarHBondContact CA-O 3.41Å; A420-R429 PolarHBondContact N-O 3.22Å; A420-R429 PolarHBondContact O-N 2.75Å; C427-R429 PolarHBondContact SG-NE 2.82Å; C427-R429 PolarHBondContact SG-NH2 3.47Å; C427-R429 VanDerWaalsContact SG-NH2 3.41Å
430E88.1Confident84.4Confident77 Ų7766 Ų6636%0.3636%0.358SS..EExtended strand (participates in β ladder)trans-94.4139.1169.4-71.4-177.715800110T400 V417T400-E430 HydrophobicContact CG2-CB 3.69Å; V417-E430 HydrophobicContact CG1-CB 3.94Å; V417-E430 HydrophobicContact CG1-CG 4.09Å
431M90.4Very high84.7Confident26 Ų2667.3 Ų67.313%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-119.5124.8174.5174.8-164-72.300109.8M393 I394 I395 V417 F418 A420M393-M431 HydrophobicContact CB-CG 4.41Å; M393-M431 HydrophobicContact CB-SD 4.24Å; M393-M431 HydrophobicContact CE-CE 3.98Å; M393-M431 HydrophobicContact CE-SD 3.13Å; M393-M431 WeakPolarHBondContact CE-SD 3.48Å; I394-M431 CarbonylContact O-C 3.37Å; I394-M431 WeakPolarHBondContact O-CA 3.29Å; I395-M431 HydrophobicContact CD1-CE 3.52Å; I395-M431 HydrophobicContact CG1-CB 4.15Å; I395-M431 HydrophobicContact CG1-CE 3.83Å; I395-M431 HydrophobicContact CG1-CG 3.84Å; V417-M431 CarbonylContact C-O 3.6Å; V417-M431 WeakPolarHBondContact CA-O 3.41Å; F418-M431 HydrophobicContact CB-CB 4.34Å; F418-M431 PolarHBondContact N-O 3.4Å; F418-M431 PolarHBondContact O-N 2.96Å; A420-M431 HydrophobicContact CB-CB 4.23Å; A420-M431 HydrophobicContact CB-CE 4.35Å
432I93.6Very high85.1Confident1 Ų164 Ų641%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-93.6124.4179.7-57.6166.7000109M393 I394 T400 I403 R404 M415M393-I432 CarbonylContact C-O 3.58Å; M393-I432 VanDerWaalsContact CA-O 3.3Å; M393-I432 WeakPolarHBondContact CA-O 3.19Å; I394-I432 HydrophobicContact CB-CB 4.33Å; I394-I432 PolarHBondContact N-O 2.99Å; I394-I432 PolarHBondContact O-N 3.27Å; T400-I432 HydrophobicContact CG2-CD1 3.69Å; T400-I432 HydrophobicContact CG2-CG1 3.81Å; I403-I432 HydrophobicContact CB-CD1 4.36Å; I403-I432 HydrophobicContact CG2-CD1 3.95Å; R404-I432 HydrophobicContact CB-CD1 3.87Å; M415-I432 HydrophobicContact CB-CG2 4.18Å; M415-I432 HydrophobicContact CG-CG2 4.35Å; M415-I432 HydrophobicContact SD-CG2 3.8Å
433M94Very high85.8Confident56 Ų5666 Ų6628%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-103.1122.9165.8-173.1179.480.100110I392 M393 M415 T416 F418I392-M433 CarbonylContact O-C 3.59Å; I392-M433 VanDerWaalsContact O-CA 3.29Å; I392-M433 WeakPolarHBondContact O-CA 3.35Å; M393-M433 HydrophobicContact CG-CB 4.5Å; M393-M433 HydrophobicContact CG-CG 4.29Å; M415-M433 WeakPolarHBondContact CA-O 3.18Å; T416-M433 PolarHBondContact N-O 2.75Å; T416-M433 PolarHBondContact O-N 3.15Å; F418-M433 HydrophobicContact CD2-CB 4.17Å; F418-M433 HydrophobicContact CE2-CB 3.66Å; F418-M433 HydrophobicContact CE2-CE 4.25Å; F418-M433 HydrophobicContact CE2-CG 4.42Å; F418-M433 HydrophobicContact CE2-SD 3.98Å; F418-M433 HydrophobicContact CZ-CE 4.4Å; F418-M433 HydrophobicContact CZ-SD 4.39Å
434V93Very high86.4Confident0 Ų062.2 Ų62.20%032%0.322CS..EExtended strand (participates in β ladder)trans-127.1135.9172.466.10000109.5I392 I394 R413 M415 V436 V444I392-V434 HydrophobicContact CB-CG1 3.96Å; I392-V434 HydrophobicContact CD1-CG1 4.25Å; I392-V434 PolarHBondContact N-O 2.84Å; I392-V434 PolarHBondContact O-N 2.9Å; I394-V434 HydrophobicContact CD1-CG1 4.34Å; R413-V434 HydrophobicContact CB-CG2 4.28Å; M415-V434 HydrophobicContact CG-CB 3.91Å; M415-V434 HydrophobicContact CG-CG2 3.79Å; M415-V434 HydrophobicContact SD-CB 4.41Å; M415-V434 HydrophobicContact SD-CG2 4.46Å; V434-V436 HydrophobicContact CG1-CG1 4.33Å; V434-V436 HydrophobicContact CG2-CG1 3.84Å; V434-V444 HydrophobicContact CG1-CG1 4.4Å
435V91.5Very high87.3Confident26 Ų2659 Ų5916%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-98.5132.5171.1-178.80000107.3R389 K390 A391 V465 F470R389-V435 HydrophobicContact CB-CG1 4.07Å; K390-V435 CarbonylContact O-C 3.53Å; K390-V435 WeakPolarHBondContact O-CA 3.4Å; A391-V435 HydrophobicContact CB-CG2 4.31Å; V435-V465 HydrophobicContact CG1-CB 4.45Å; V435-V465 HydrophobicContact CG1-CG1 4.1Å; V435-V465 HydrophobicContact CG1-CG2 3.69Å; V435-F470 HydrophobicContact CB-CE1 4.39Å; V435-F470 HydrophobicContact CB-CE2 4.32Å; V435-F470 HydrophobicContact CB-CZ 3.97Å; V435-F470 HydrophobicContact CG1-CD1 4.32Å; V435-F470 HydrophobicContact CG1-CE1 3.88Å; V435-F470 HydrophobicContact CG1-CE2 4.46Å; V435-F470 HydrophobicContact CG1-CZ 3.97Å; V435-F470 WeakPolarHBondContact O-CZ 3.26Å
436V88.6Confident88.3Confident0 Ų059.5 Ų59.50%030%0.301CS..EExtended strand (participates in β ladder)trans-139.1162.7-179.6-61.50000111.4R389 K390 I392 V434 E440 V444R389-V436 WeakPolarHBondContact CA-O 3.37Å; K390-V436 HydrophobicContact CB-CG2 4.27Å; K390-V436 PolarHBondContact N-O 2.86Å; K390-V436 PolarHBondContact O-N 3.02Å; I392-V436 HydrophobicContact CD1-CG2 3.49Å; I392-V436 VanDerWaalsContact CD1-CG2 3.49Å; I392-V436 HydrophobicContact CG1-CG2 4.22Å; V434-V436 HydrophobicContact CG1-CG1 4.33Å; V434-V436 HydrophobicContact CG2-CG1 3.84Å; V436-E440 WeakPolarHBondContact CA-OE2 3.5Å; V436-E440 HydrophobicContact CB-CB 3.84Å; V436-E440 HydrophobicContact CG1-CB 4.35Å; V436-E440 HydrophobicContact CG2-CB 4.45Å; V436-V444 HydrophobicContact CG1-CG2 3.79Å; V436-V444 HydrophobicContact CG2-CG2 4.38Å
437T85.5Confident89.1Confident16 Ų1655.2 Ų55.210%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-71.616016872.10000110.9Q439 E440 Y441T437-Q439 PolarHBondContact O-N 3.39Å; T437-Q439 VanDerWaalsContact O-N 3.16Å; T437-Q439 PolarHBondContact OG1-N 2.88Å; T437-E440 WeakPolarHBondContact CB-OE2 3.36Å; T437-E440 VanDerWaalsContact CG2-OE2 3.32Å; T437-E440 WeakPolarHBondContact CG2-OE2 3.4Å; T437-E440 PolarHBondContact N-OE2 2.88Å; T437-E440 PolarHBondContact O-N 3.44Å; T437-E440 VanDerWaalsContact O-N 3.16Å; T437-E440 VanDerWaalsContact OG1-CD 3.31Å; T437-E440 WeakPolarHBondContact OG1-CG 3.26Å; T437-E440 PolarHBondContact OG1-N 3.44Å; T437-E440 PolarHBondContact OG1-OE2 2.81Å; T437-E440 VanDerWaalsContact OG1-OE2 3.06Å; T437-Y441 PolarHBondContact O-N 3.4Å
438G82Confident89.9Confident42 Ų4253 Ų5343%0.43326%0.264SS..THydrogen-bonded Turntrans-58.1-25.7173.600000114.1
439Q81.8Confident90.4Very high181 Ų18149.9 Ų49.985%0.84625%0.247SC*.THydrogen-bonded Turntrans-79.6-29.9178.2-69178.3-15.900113.1T437 P442T437-Q439 PolarHBondContact O-N 3.39Å; T437-Q439 VanDerWaalsContact O-N 3.16Å; T437-Q439 PolarHBondContact OG1-N 2.88Å; Q439-P442 WeakPolarHBondContact O-CD 3.33Å
440E88.9Confident91Very high42 Ų4253.3 Ų53.320%0.19627%0.266CS..THydrogen-bonded Turntrans-81.8-21.8178.2-73.1160.4166.300112.1L411 R413 V436 T437 L443 V444L411-E440 HydrophobicContact CD2-CB 4.34Å; L411-E440 HydrophobicContact CD2-CG 4.36Å; R413-E440 IonicContact CZ-OE1 3.28Å; R413-E440 IonicContact CZ-OE2 3.08Å; R413-E440 IonicContact NE-OE1 3.02Å; R413-E440 PolarHBondContact NE-OE1 2.92Å; R413-E440 IonicContact NE-OE2 2.82Å; R413-E440 PolarHBondContact NE-OE2 3.05Å; R413-E440 IonicContact NH2-OE1 3.99Å; R413-E440 PolarHBondContact NH2-OE1 2.92Å; R413-E440 IonicContact NH2-OE2 3.61Å; R413-E440 PolarHBondContact NH2-OE2 3.36Å; V436-E440 WeakPolarHBondContact CA-OE2 3.5Å; V436-E440 HydrophobicContact CB-CB 3.84Å; V436-E440 HydrophobicContact CG1-CB 4.35Å; V436-E440 HydrophobicContact CG2-CB 4.45Å; T437-E440 WeakPolarHBondContact CB-OE2 3.36Å; T437-E440 VanDerWaalsContact CG2-OE2 3.32Å; T437-E440 WeakPolarHBondContact CG2-OE2 3.4Å; T437-E440 PolarHBondContact N-OE2 2.88Å; T437-E440 PolarHBondContact O-N 3.44Å; T437-E440 VanDerWaalsContact O-N 3.16Å; T437-E440 VanDerWaalsContact OG1-CD 3.31Å; T437-E440 WeakPolarHBondContact OG1-CG 3.26Å; T437-E440 PolarHBondContact OG1-N 3.44Å; T437-E440 PolarHBondContact OG1-OE2 2.81Å; T437-E440 VanDerWaalsContact OG1-OE2 3.06Å; E440-L443 WeakPolarHBondContact O-CB 2.98Å; E440-L443 PolarHBondContact O-N 2.66Å; E440-V444 PolarHBondContact O-N 3.4Å; E440-V444 VanDerWaalsContact O-N 3.15Å
441Y91.3Very high91.3Very high54 Ų5451.9 Ų51.921%0.21226%0.26CS..Hα-helixtrans-53.5-44.8-178.6173.5-101.2000114.8K390 I392 T437 L443 V444 R445 T459K390-Y441 HydrophobicContact CD-CD1 4.37Å; K390-Y441 HydrophobicContact CD-CD2 3.78Å; K390-Y441 HydrophobicContact CD-CE2 4.42Å; K390-Y441 HydrophobicContact CD-CG 3.77Å; I392-Y441 HydrophobicContact CD1-CD2 3.66Å; I392-Y441 HydrophobicContact CD1-CE2 4.19Å; I392-Y441 HydrophobicContact CG1-CD2 4.18Å; I392-Y441 HydrophobicContact CG1-CE2 4.44Å; T437-Y441 PolarHBondContact O-N 3.4Å; Y441-L443 VanDerWaalsContact C-N 3.27Å; Y441-L443 PolarHBondContact O-N 3.17Å; Y441-V444 PolarHBondContact O-N 2.86Å; Y441-R445 PolarHBondContact O-N 2.77Å; Y441-T459 HydrophobicContact CD2-CG2 4.21Å; Y441-T459 HydrophobicContact CE2-CG2 3.78Å; Y441-T459 WeakPolarHBondContact CE2-OG1 3.31Å
442P91.9Very high91.4Very high79 Ų7951.1 Ų51.151%0.51326%0.257SS..Hα-helixtrans-60.5-34.6176.2-23.735.3000113.5Q439 K446Q439-P442 WeakPolarHBondContact O-CD 3.33Å; P442-K446 WeakPolarHBondContact O-CB 3.36Å; P442-K446 PolarHBondContact O-N 2.7Å
443L92.7Very high91.2Very high60 Ų6056 Ų5631%0.31429%0.288SS..Hα-helixtrans-68.3-47.2177.617960.6000111E410 L411 E440 Y441 R445 K446 I447E410-L443 HydrophobicContact CB-CD2 4.45Å; L411-L443 HydrophobicContact CD2-CD2 3.91Å; E440-L443 WeakPolarHBondContact O-CB 2.98Å; E440-L443 PolarHBondContact O-N 2.66Å; Y441-L443 VanDerWaalsContact C-N 3.27Å; Y441-L443 PolarHBondContact O-N 3.17Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.4Å; L443-K446 PolarHBondContact O-N 3.26Å; L443-I447 HydrophobicContact CD1-CD1 3.97Å; L443-I447 HydrophobicContact CD1-CG1 4.29Å; L443-I447 HydrophobicContact CG-CD1 3.9Å; L443-I447 WeakPolarHBondContact O-CG1 2.83Å; L443-I447 PolarHBondContact O-N 3.28Å
444V93.6Very high91Very high0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-55.4-48.9174.6177.80000110.4I392 I394 L407 L411 V434 V436 E440 Y441 K446 I447 V448 M457I392-V444 HydrophobicContact CD1-CB 3.9Å; I392-V444 HydrophobicContact CD1-CG1 3.67Å; I392-V444 HydrophobicContact CD1-CG2 3.96Å; I392-V444 HydrophobicContact CG2-CG1 4.48Å; I394-V444 HydrophobicContact CD1-CG1 4.06Å; L407-V444 HydrophobicContact CD2-CB 4.29Å; L407-V444 HydrophobicContact CD2-CG1 3.97Å; L407-V444 HydrophobicContact CD2-CG2 4.27Å; L411-V444 HydrophobicContact CD1-CG2 3.54Å; V434-V444 HydrophobicContact CG1-CG1 4.4Å; V436-V444 HydrophobicContact CG1-CG2 3.79Å; V436-V444 HydrophobicContact CG2-CG2 4.38Å; E440-V444 PolarHBondContact O-N 3.4Å; E440-V444 VanDerWaalsContact O-N 3.15Å; Y441-V444 PolarHBondContact O-N 2.86Å; V444-K446 VanDerWaalsContact C-N 3.35Å; V444-K446 PolarHBondContact O-N 3.02Å; V444-I447 PolarHBondContact O-N 3.2Å; V444-V448 HydrophobicContact CG1-CG2 4.29Å; V444-V448 WeakPolarHBondContact O-CB 3.31Å; V444-V448 VanDerWaalsContact O-CG2 3.26Å; V444-V448 WeakPolarHBondContact O-CG2 3.39Å; V444-V448 PolarHBondContact O-N 2.74Å; V444-M457 HydrophobicContact CG1-CE 4.09Å
445R94.5Very high90.9Very high132 Ų13263.5 Ų63.550%0.49832%0.322SS..Hα-helixtrans-60.2-45.2-179.8-177.9179.3177-176.15111.5Y441 L443 V448 D449Y441-R445 PolarHBondContact O-N 2.77Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.4Å; R445-V448 PolarHBondContact O-N 3.48Å; R445-D449 WeakPolarHBondContact CG-OD2 3.41Å; R445-D449 IonicContact NE-OD2 3.08Å; R445-D449 PolarHBondContact NE-OD2 2.86Å; R445-D449 VanDerWaalsContact O-CB 3.31Å; R445-D449 WeakPolarHBondContact O-CB 3.4Å; R445-D449 PolarHBondContact O-N 3.14Å
446K94Very high90.8Very high119 Ų11968.2 Ų68.252%0.51734%0.34SS..Hα-helixtrans-59.3-48.9178.1-178.8-176.7172.3-169.80111.5P442 L443 V444 V448 D449 E450P442-K446 WeakPolarHBondContact O-CB 3.36Å; P442-K446 PolarHBondContact O-N 2.7Å; L443-K446 PolarHBondContact O-N 3.26Å; V444-K446 VanDerWaalsContact C-N 3.35Å; V444-K446 PolarHBondContact O-N 3.02Å; K446-V448 VanDerWaalsContact C-N 3.33Å; K446-V448 PolarHBondContact O-N 3.02Å; K446-D449 PolarHBondContact O-N 3.25Å; K446-E450 WeakPolarHBondContact CE-OE1 3.49Å; K446-E450 HydrophobicContact CG-CG 4.41Å; K446-E450 IonicContact NZ-OE1 3.68Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 WeakPolarHBondContact O-CG 3.27Å; K446-E450 PolarHBondContact O-N 3.43Å
447I93.7Very high91Very high5 Ų570.3 Ų70.33%0.02635%0.351CS..Hα-helixtrans-58.4-47.4179.3-70.6164.2000110.8Q406 L407 E410 L443 V444 E450 I451Q406-I447 HydrophobicContact CB-CG2 3.83Å; Q406-I447 HydrophobicContact CG-CG1 4.3Å; Q406-I447 HydrophobicContact CG-CG2 3.58Å; L407-I447 HydrophobicContact CD2-CB 4.14Å; L407-I447 HydrophobicContact CD2-CD1 3.89Å; L407-I447 HydrophobicContact CD2-CG2 3.91Å; L407-I447 HydrophobicContact CG-CG2 4.14Å; E410-I447 HydrophobicContact CB-CD1 3.6Å; E410-I447 HydrophobicContact CG-CD1 3.75Å; L443-I447 HydrophobicContact CD1-CD1 3.97Å; L443-I447 HydrophobicContact CD1-CG1 4.29Å; L443-I447 HydrophobicContact CG-CD1 3.9Å; L443-I447 WeakPolarHBondContact O-CG1 2.83Å; L443-I447 PolarHBondContact O-N 3.28Å; V444-I447 PolarHBondContact O-N 3.2Å; I447-E450 PolarHBondContact O-N 2.91Å; I447-I451 HydrophobicContact CG2-CD1 3.86Å; I447-I451 WeakPolarHBondContact O-CG1 3.44Å; I447-I451 PolarHBondContact O-N 2.86Å; I447-I451 VanDerWaalsContact O-N 3.15Å
448V94.5Very high91.3Very high0 Ų072 Ų720%036%0.359CS..Hα-helixtrans-66.4-45.6-178.8174.40000111.4I394 I403 V444 R445 K446 E450 I451 D452 S455 M457I394-V448 HydrophobicContact CD1-CG2 3.76Å; I394-V448 HydrophobicContact CG1-CG2 4.35Å; I394-V448 HydrophobicContact CG2-CG1 3.94Å; I394-V448 HydrophobicContact CG2-CG2 4.08Å; I403-V448 HydrophobicContact CD1-CG1 4.39Å; I403-V448 HydrophobicContact CG2-CG2 3.93Å; V444-V448 HydrophobicContact CG1-CG2 4.29Å; V444-V448 WeakPolarHBondContact O-CB 3.31Å; V444-V448 VanDerWaalsContact O-CG2 3.26Å; V444-V448 WeakPolarHBondContact O-CG2 3.39Å; V444-V448 PolarHBondContact O-N 2.74Å; R445-V448 PolarHBondContact O-N 3.48Å; K446-V448 VanDerWaalsContact C-N 3.33Å; K446-V448 PolarHBondContact O-N 3.02Å; V448-E450 VanDerWaalsContact C-N 3.33Å; V448-E450 PolarHBondContact O-N 3.42Å; V448-I451 PolarHBondContact O-N 3.43Å; V448-D452 CarbonylContact O-C 3.5Å; V448-D452 PolarHBondContact O-N 3.48Å; V448-S455 WeakPolarHBondContact CG1-OG 3.34Å; V448-M457 HydrophobicContact CB-SD 3.77Å; V448-M457 HydrophobicContact CG1-CG 3.92Å; V448-M457 HydrophobicContact CG1-SD 3.53Å; V448-M457 VanDerWaalsContact CG1-SD 3.53Å; V448-M457 HydrophobicContact CG2-CE 4.49Å; V448-M457 HydrophobicContact CG2-SD 4.16Å
449D93.4Very high91.8Very high70 Ų7072.1 Ų72.137%0.37435%0.351SS..Hα-helixtrans-66.2-31.8179.2-75.1-20.8000112.1R445 K446 P453R445-D449 WeakPolarHBondContact CG-OD2 3.41Å; R445-D449 IonicContact NE-OD2 3.08Å; R445-D449 PolarHBondContact NE-OD2 2.86Å; R445-D449 VanDerWaalsContact O-CB 3.31Å; R445-D449 WeakPolarHBondContact O-CB 3.4Å; R445-D449 PolarHBondContact O-N 3.14Å; K446-D449 PolarHBondContact O-N 3.25Å; D449-P453 WeakPolarHBondContact O-CD 3.33Å; D449-P453 VanDerWaalsContact O-CG 3.27Å; D449-P453 WeakPolarHBondContact O-CG 3.01Å
450E93.7Very high92.3Very high134 Ų13469.1 Ų69.163%0.62633%0.333SS*.Hα-helixtrans-72.8-37.3176.6-79.2176.9175.300112.8K446 I447 V448K446-E450 WeakPolarHBondContact CE-OE1 3.49Å; K446-E450 HydrophobicContact CG-CG 4.41Å; K446-E450 IonicContact NZ-OE1 3.68Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 WeakPolarHBondContact O-CG 3.27Å; K446-E450 PolarHBondContact O-N 3.43Å; I447-E450 PolarHBondContact O-N 2.91Å; V448-E450 VanDerWaalsContact C-N 3.33Å; V448-E450 PolarHBondContact O-N 3.42Å
451I93.9Very high92.2Very high46 Ų4672.4 Ų72.424%0.23635%0.352CS..Hα-helixtrans-83.5-49.2-177.9-64.6169.2000111.1Y399 E402 I403 Q406 I447 V448Y399-I451 HydrophobicContact CG-CG2 4.27Å; E402-I451 HydrophobicContact CB-CG2 3.9Å; I403-I451 HydrophobicContact CG1-CB 3.99Å; I403-I451 HydrophobicContact CG1-CD1 4.11Å; I403-I451 HydrophobicContact CG1-CG2 3.72Å; Q406-I451 HydrophobicContact CB-CD1 3.73Å; Q406-I451 HydrophobicContact CG-CD1 4.12Å; I447-I451 HydrophobicContact CG2-CD1 3.86Å; I447-I451 WeakPolarHBondContact O-CG1 3.44Å; I447-I451 PolarHBondContact O-N 2.86Å; I447-I451 VanDerWaalsContact O-N 3.15Å; V448-I451 PolarHBondContact O-N 3.43Å
452D93.6Very high91.7Very high11 Ų1171.8 Ų71.86%0.05935%0.354CS..  trans-138.690.1179.7-176.87.6000111S396 Y399 I403 V448 K454 S455S396-D452 VanDerWaalsContact CB-OD2 3.3Å; S396-D452 WeakPolarHBondContact CB-OD2 3.45Å; S396-D452 PolarHBondContact OG-OD2 3.24Å; Y399-D452 HydrophobicContact CD2-CB 3.86Å; Y399-D452 HydrophobicContact CG-CB 4.36Å; I403-D452 HydrophobicContact CD1-CB 4.24Å; V448-D452 CarbonylContact O-C 3.5Å; V448-D452 PolarHBondContact O-N 3.48Å; D452-K454 PolarHBondContact O-N 3.35Å; D452-K454 WeakPolarHBondContact OD1-CA 3.41Å; D452-K454 WeakPolarHBondContact OD1-CB 3.43Å; D452-K454 PolarHBondContact OD1-N 2.99Å; D452-S455 VanDerWaalsContact O-CB 3.26Å; D452-S455 WeakPolarHBondContact O-CB 3.39Å; D452-S455 PolarHBondContact O-N 3.49Å; D452-S455 PolarHBondContact O-OG 3.44Å; D452-S455 PolarHBondContact OD1-N 2.98Å; D452-S455 PolarHBondContact OD2-N 2.88Å
453P90.2Very high90.6Very high103 Ų10371.9 Ų71.967%0.66936%0.361SS*.THydrogen-bonded Turntrans-59.4-13.6174-19.726.6000114.5D449D449-P453 WeakPolarHBondContact O-CD 3.33Å; D449-P453 VanDerWaalsContact O-CG 3.27Å; D449-P453 WeakPolarHBondContact O-CG 3.01Å
454K89.9Confident89.4Confident192 Ų19274.1 Ų74.184%0.83537%0.37SS*.THydrogen-bonded Turntrans-100.40.7178.4-63179.9-178.91720112.8D452D452-K454 PolarHBondContact O-N 3.35Å; D452-K454 WeakPolarHBondContact OD1-CA 3.41Å; D452-K454 WeakPolarHBondContact OD1-CB 3.43Å; D452-K454 PolarHBondContact OD1-N 2.99Å
455S90.3Very high88.4Confident22 Ų2275.5 Ų75.515%0.15438%0.378CS..  trans-62.9155.5176.8640000111.6I395 V448 D452I395-S455 CarbonylContact O-C 3.57Å; I395-S455 WeakPolarHBondContact O-CA 3.2Å; V448-S455 WeakPolarHBondContact CG1-OG 3.34Å; D452-S455 VanDerWaalsContact O-CB 3.26Å; D452-S455 WeakPolarHBondContact O-CB 3.39Å; D452-S455 PolarHBondContact O-N 3.49Å; D452-S455 PolarHBondContact O-OG 3.44Å; D452-S455 PolarHBondContact OD1-N 2.98Å; D452-S455 PolarHBondContact OD2-N 2.88Å
456F88.9Confident87.3Confident124 Ų12475.8 Ų75.854%0.54439%0.385SS..EExtended strand (participates in β ladder)trans-108.9118.9178.5-172.1-103.8000109.7I395 I458I395-F456 HydrophobicContact CB-CB 4.36Å; I395-F456 HydrophobicContact CD1-CD1 4.09Å; I395-F456 PolarHBondContact N-O 3.36Å; I395-F456 PolarHBondContact O-N 3.49Å; F456-I458 HydrophobicContact CD1-CD1 4.41Å; F456-I458 HydrophobicContact CD1-CG1 3.93Å; F456-I458 HydrophobicContact CE1-CD1 3.71Å; F456-I458 HydrophobicContact CE1-CG1 3.36Å; F456-I458 HydrophobicContact CZ-CG1 4.17Å
457M92.5Very high86Confident45 Ų4571.7 Ų71.722%0.22238%0.376CS..EExtended strand (participates in β ladder)trans-113.5125.3177.7-66.717867.100111I392 M393 I394 V444 V448I392-M457 HydrophobicContact CG2-CE 3.49Å; I392-M457 VanDerWaalsContact CG2-CE 3.49Å; M393-M457 CarbonylContact O-C 3.55Å; M393-M457 VanDerWaalsContact O-CA 3.32Å; M393-M457 WeakPolarHBondContact O-CA 3.46Å; I394-M457 HydrophobicContact CG1-CE 4.46Å; I394-M457 HydrophobicContact CG1-CG 4.22Å; I394-M457 HydrophobicContact CG2-CG 4.26Å; V444-M457 HydrophobicContact CG1-CE 4.09Å; V448-M457 HydrophobicContact CB-SD 3.77Å; V448-M457 HydrophobicContact CG1-CG 3.92Å; V448-M457 HydrophobicContact CG1-SD 3.53Å; V448-M457 VanDerWaalsContact CG1-SD 3.53Å; V448-M457 HydrophobicContact CG2-CE 4.49Å; V448-M457 HydrophobicContact CG2-SD 4.16Å
458I92.8Very high84.6Confident50 Ų5080.3 Ų80.326%0.25642%0.421SS..EExtended strand (participates in β ladder)trans-106.9129.8168.1-43.1174.9000108.6I392 M393 F456 Y460I392-I458 CarbonylContact C-O 3.48Å; I392-I458 WeakPolarHBondContact CA-O 3.42Å; M393-I458 HydrophobicContact CB-CB 4.34Å; M393-I458 PolarHBondContact N-O 2.55Å; M393-I458 PolarHBondContact O-N 3.41Å; F456-I458 HydrophobicContact CD1-CD1 4.41Å; F456-I458 HydrophobicContact CD1-CG1 3.93Å; F456-I458 HydrophobicContact CE1-CD1 3.71Å; F456-I458 HydrophobicContact CE1-CG1 3.36Å; F456-I458 HydrophobicContact CZ-CG1 4.17Å; I458-Y460 HydrophobicContact CB-CE2 3.97Å; I458-Y460 HydrophobicContact CG2-CD2 4.24Å; I458-Y460 HydrophobicContact CG2-CE1 4.13Å; I458-Y460 HydrophobicContact CG2-CE2 3.42Å; I458-Y460 VanDerWaalsContact CG2-CE2 3.42Å; I458-Y460 WeakPolarHBondContact CG2-OH 3.38Å
459T92.5Very high83.1Confident46 Ų4682.9 Ų82.928%0.28245%0.448SS..EExtended strand (participates in β ladder)trans-123.3126.5-179.7-57.60000111.1K390 A391 I392 Y441K390-T459 HydrophobicContact CB-CG2 3.96Å; K390-T459 HydrophobicContact CD-CG2 3.84Å; K390-T459 HydrophobicContact CG-CG2 4.18Å; A391-T459 CarbonylContact O-C 3.54Å; A391-T459 WeakPolarHBondContact O-CA 3.3Å; I392-T459 HydrophobicContact CG1-CG2 4.22Å; Y441-T459 HydrophobicContact CD2-CG2 4.21Å; Y441-T459 HydrophobicContact CE2-CG2 3.78Å; Y441-T459 WeakPolarHBondContact CE2-OG1 3.31Å
460Y91Very high81.6Confident118 Ų11880.9 Ų80.946%0.46344%0.436SS..EExtended strand (participates in β ladder)trans-114.8141.7177.9-53.4-92.5000110.2K390 A391 M393 I458K390-Y460 CarbonylContact C-O 3.57Å; K390-Y460 VanDerWaalsContact CA-O 3.29Å; K390-Y460 WeakPolarHBondContact CA-O 3.33Å; A391-Y460 PolarHBondContact N-O 3.48Å; A391-Y460 PolarHBondContact O-N 3.08Å; M393-Y460 HydrophobicContact CG-CE2 4.32Å; M393-Y460 HydrophobicContact SD-CD2 4.37Å; M393-Y460 HydrophobicContact SD-CE2 3.53Å; M393-Y460 VanDerWaalsContact SD-CE2 3.53Å; I458-Y460 HydrophobicContact CB-CE2 3.97Å; I458-Y460 HydrophobicContact CG2-CD2 4.24Å; I458-Y460 HydrophobicContact CG2-CE1 4.13Å; I458-Y460 HydrophobicContact CG2-CE2 3.42Å; I458-Y460 VanDerWaalsContact CG2-CE2 3.42Å; I458-Y460 WeakPolarHBondContact CG2-OH 3.38Å
461N86.7Confident79.5Confident111 Ų11178 Ų7859%0.59443%0.428SS*.EExtended strand (participates in β ladder)trans-80.2123.7168.6-70.7-34.5000108.9
462V82Confident76.9Confident41 Ų4186.4 Ų86.425%0.24846%0.458CS..EExtended strand (participates in β ladder)trans-101.9123.7176.5-166.30000108.3R389 A391 E464 V465R389-V462 HydrophobicContact CB-CB 4.39Å; R389-V462 PolarHBondContact N-O 3.47Å; R389-V462 PolarHBondContact O-N 3.15Å; A391-V462 HydrophobicContact CB-CG2 3.5Å; V462-E464 WeakPolarHBondContact CG1-O 3.44Å; V462-V465 HydrophobicContact CB-CG2 4.01Å; V462-V465 HydrophobicContact CG1-CG2 3.68Å
463A67.9Low74.1Confident81 Ų8193.5 Ų93.567%0.66949%0.491SS*.SBendtrans-65.1-46179.900000111.1
464E67.9Low71.5Confident106 Ų10694 Ų9450%0.49549%0.494SS..  trans-141142.1178.6-67.7-170.4165.300111.7V462 H466V462-E464 WeakPolarHBondContact CG1-O 3.44Å; E464-H466 IonicContact OE2-CD2 3.28Å; E464-H466 IonicContact OE2-CE1 3.6Å; E464-H466 IonicContact OE2-NE2 3.17Å; E464-H466 PolarHBondContact OE2-NE2 3.14Å
465V72.4Confident68.8Low29 Ų2992.8 Ų92.818%0.17650%0.495CS..  trans-129.9122.7174-178.80000106.8R389 V435 V462 F470 T471R389-V465 HydrophobicContact CB-CG2 3.79Å; R389-V465 HydrophobicContact CG-CB 4.3Å; R389-V465 HydrophobicContact CG-CG2 3.77Å; V435-V465 HydrophobicContact CG1-CB 4.45Å; V435-V465 HydrophobicContact CG1-CG1 4.1Å; V435-V465 HydrophobicContact CG1-CG2 3.69Å; V462-V465 HydrophobicContact CB-CG2 4.01Å; V462-V465 HydrophobicContact CG1-CG2 3.68Å; V465-F470 HydrophobicContact CB-CB 3.99Å; V465-F470 HydrophobicContact CB-CG 4.23Å; V465-F470 HydrophobicContact CG1-CB 3.66Å; V465-F470 HydrophobicContact CG1-CD1 4.29Å; V465-F470 HydrophobicContact CG1-CD2 3.88Å; V465-F470 HydrophobicContact CG1-CG 3.65Å; V465-T471 PolarHBondContact O-OG1 3.25Å
466H70.9Confident66Low139 Ų139104.1 Ų104.164%0.64455%0.545SS*.  trans-109.8131.2-179.3-64.2-75.9000109.3E464E464-H466 IonicContact OE2-CD2 3.28Å; E464-H466 IonicContact OE2-CE1 3.6Å; E464-H466 IonicContact OE2-NE2 3.17Å; E464-H466 PolarHBondContact OE2-NE2 3.14Å
467G68.2Low64.9Low32 Ų32103.2 Ų103.233%0.3355%0.546SS..SBendtrans139.6174.717600000114.5G469 F470G467-G469 PolarHBondContact O-N 3.31Å; G467-F470 PolarHBondContact O-N 2.89Å; G467-F470 VanDerWaalsContact O-N 3.08Å
468L62.8Low63.4Low186 Ų186106.2 Ų106.297%0.97456%0.563SS**THydrogen-bonded Turntrans-51.2125.6177.6-105.9122.9000110.7
469G63.7Low61.8Low55 Ų55109.3 Ų109.357%0.56758%0.58SS**THydrogen-bonded Turntrans93.8-18.8-179.400000115.9R413 G467R413-G469 PolarHBondContact NH1-O 3.28Å; G467-G469 PolarHBondContact O-N 3.31Å
470F62.5Low60Low27 Ų27113.1 Ų113.112%0.11860%0.597CS.*THydrogen-bonded Turntrans-115.2-18.8-173.9-70.9-78.5000116.2R389 R413 V435 V465 G467R389-F470 HydrophobicContact CG-CD1 4.35Å; R389-F470 PolarHBondContact NH2-O 3.24Å; R413-F470 VanDerWaalsContact NH1-CE1 3.33Å; R413-F470 VanDerWaalsContact NH1-CZ 3.34Å; V435-F470 HydrophobicContact CB-CE1 4.39Å; V435-F470 HydrophobicContact CB-CE2 4.32Å; V435-F470 HydrophobicContact CB-CZ 3.97Å; V435-F470 HydrophobicContact CG1-CD1 4.32Å; V435-F470 HydrophobicContact CG1-CE1 3.88Å; V435-F470 HydrophobicContact CG1-CE2 4.46Å; V435-F470 HydrophobicContact CG1-CZ 3.97Å; V435-F470 WeakPolarHBondContact O-CZ 3.26Å; V465-F470 HydrophobicContact CB-CB 3.99Å; V465-F470 HydrophobicContact CB-CG 4.23Å; V465-F470 HydrophobicContact CG1-CB 3.66Å; V465-F470 HydrophobicContact CG1-CD1 4.29Å; V465-F470 HydrophobicContact CG1-CD2 3.88Å; V465-F470 HydrophobicContact CG1-CG 3.65Å; G467-F470 PolarHBondContact O-N 2.89Å; G467-F470 VanDerWaalsContact O-N 3.08Å
471T49.8Very low58.1Low73 Ų73112.8 Ų112.845%0.44861%0.605SS.*  trans-151.3137.7-177.58.80000112.3V465 H473V465-T471 PolarHBondContact O-OG1 3.25Å; T471-H473 PolarHBondContact O-N 2.97Å
472Y39.1Very low56.2Low224 Ų224112.9 Ų112.988%0.87861%0.606SS**PPolyproline II helixtrans-66.9117.9169.2-127.2-100.5000107.4P474Y472-P474 WeakPolarHBondContact O-CD 3.28Å
473H33.1Very low54.3Low159 Ų159118 Ų11874%0.73663%0.632SS**PPolyproline II helixtrans-63.9123162.3-83.7-74000107.7T471 I475T471-H473 PolarHBondContact O-N 2.97Å; H473-I475 PolarHBondContact O-N 3.44Å
474P35.7Very low53.3Low113 Ų113120.8 Ų120.873%0.73463%0.629SS**PPolyproline II helixtrans-65.4128.7154.626.5-20.5000106.1Y472 Q476Y472-P474 WeakPolarHBondContact O-CD 3.28Å; P474-Q476 PolarHBondContact O-N 3.21Å
475I34.7Very low52.1Low168 Ų168122.1 Ų122.186%0.86264%0.64SS**  trans-42128.9175.4-64.1157.5000109.4H473H473-I475 PolarHBondContact O-N 3.44Å
476Q31.8Very low50.2Low260 Ų260130.5 Ų130.5100%1.21568%0.682SS**  trans-57.80170-79.8-177.2-14.800111.9P474P474-Q476 PolarHBondContact O-N 3.21Å

Retrieved 476 of 476 residues in 411.5 ms (Link to these results)

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