A0A087XCY6_POEFO Loading...

Protein KTI12 homolog

AlphaFold DB , UniProt , Accession A0A087XCY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 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
1M69.8Low92.9Very high55 Ų5511.1 Ų11.127%0.2715%0.051SC..  0159.20-82.4-162.3162.800110.2R31 N71 R72 N74 T100M1-R31 VanDerWaalsContact CE-NH1 3.25Å; M1-R31 PolarHBondContact SD-NE 2.82Å; M1-R31 PolarHBondContact SD-NH1 2.88Å; M1-R31 PolarHBondContact SD-NH2 3.49Å; M1-N71 WeakPolarHBondContact CA-O 3.38Å; M1-N71 WeakPolarHBondContact CB-O 3.5Å; M1-N71 PolarHBondContact N-O 3.31Å; M1-R72 WeakPolarHBondContact CB-O 3.24Å; M1-R72 WeakPolarHBondContact CG-O 3.4Å; M1-N74 CarbonylContact C-O 3.6Å; M1-N74 WeakPolarHBondContact CB-O 3.39Å; M1-T100 WeakPolarHBondContact O-CB 3.36Å; M1-T100 VanDerWaalsContact O-CG2 3.24Å; M1-T100 WeakPolarHBondContact O-CG2 3.42Å
2P87.2Confident93.2Very high0 Ų010.6 Ų10.60%05%0.05CC..PPolyproline II helixtrans-83149.5-131.631-39.2000115I75 V76 P101 L170 F171P2-I75 HydrophobicContact CG-CB 4.4Å; P2-I75 HydrophobicContact CG-CG1 3.92Å; P2-I75 HydrophobicContact CG-CG2 4.19Å; P2-V76 PolarHBondContact O-N 3.06Å; P2-P101 WeakPolarHBondContact CA-O 3.34Å; P2-L170 HydrophobicContact CB-CB 3.56Å; P2-L170 HydrophobicContact CB-CD1 3.64Å; P2-L170 HydrophobicContact CB-CD2 3.31Å; P2-L170 HydrophobicContact CB-CG 3.61Å; P2-L170 HydrophobicContact CG-CB 3.68Å; P2-L170 HydrophobicContact CG-CD1 3.55Å; P2-L170 HydrophobicContact CG-CD2 4.21Å; P2-L170 HydrophobicContact CG-CG 3.95Å; P2-F171 HydrophobicContact CG-CE1 3.89Å; P2-F171 HydrophobicContact CG-CZ 4.5Å
3L94.3Very high93.2Very high0 Ų011.5 Ų11.50%06%0.064CC..EExtended strand (participates in β ladder)trans-101.8123.6165.8177.462.4000109.7V5 V66 V70 V76 L78 L91 T95 P101 H102 C103L3-V5 HydrophobicContact CD1-CG2 4.5Å; L3-V5 HydrophobicContact CD2-CG2 3.88Å; L3-V5 HydrophobicContact CG-CG2 3.86Å; L3-V66 HydrophobicContact CD1-CG1 3.67Å; L3-V66 HydrophobicContact CD1-CG2 4.5Å; L3-V66 HydrophobicContact CD2-CG1 4.03Å; L3-V66 HydrophobicContact CG-CG1 4.48Å; L3-V70 HydrophobicContact CB-CG2 4.45Å; L3-V70 HydrophobicContact CD1-CG2 4.47Å; L3-V76 CarbonylContact C-O 3.49Å; L3-V76 WeakPolarHBondContact CA-O 3.38Å; L3-V76 HydrophobicContact CD1-CB 4.09Å; L3-V76 HydrophobicContact CD1-CG1 3.99Å; L3-L78 HydrophobicContact CD1-CB 4.32Å; L3-L91 HydrophobicContact CD2-CB 4.43Å; L3-T95 HydrophobicContact CB-CG2 3.7Å; L3-T95 HydrophobicContact CD2-CG2 3.5Å; L3-T95 HydrophobicContact CG-CG2 4.21Å; L3-P101 PolarHBondContact N-O 3.18Å; L3-H102 CarbonylContact O-C 3.15Å; L3-H102 WeakPolarHBondContact O-CA 3.48Å; L3-C103 PolarHBondContact O-N 2.92Å
4V95.9Very high93.4Very high0 Ų011.6 Ų11.60%06%0.063CC..EExtended strand (participates in β ladder)trans-99.3127.1165.6-1760000108.4M6 L21 V76 I77 L78 C103 V105 V166 L170V4-M6 HydrophobicContact CG1-SD 4.02Å; V4-L21 HydrophobicContact CG1-CD1 4.22Å; V4-V76 PolarHBondContact N-O 3.41Å; V4-I77 HydrophobicContact CB-CB 4.48Å; V4-I77 HydrophobicContact CB-CG1 4.19Å; V4-I77 HydrophobicContact CB-CG2 4.36Å; V4-I77 HydrophobicContact CG1-CG2 4.46Å; V4-I77 HydrophobicContact CG2-CG1 4.42Å; V4-I77 CarbonylContact O-C 3.57Å; V4-I77 WeakPolarHBondContact O-CA 3.29Å; V4-L78 PolarHBondContact O-N 2.76Å; V4-C103 CarbonylContact C-O 3.49Å; V4-C103 WeakPolarHBondContact CA-O 3.49Å; V4-V105 HydrophobicContact CG1-CG2 3.88Å; V4-V166 HydrophobicContact CG2-CG1 4.32Å; V4-L170 HydrophobicContact CG2-CD1 3.47Å; V4-L170 VanDerWaalsContact CG2-CD1 3.47Å; V4-L170 HydrophobicContact CG2-CD2 4.25Å; V4-L170 HydrophobicContact CG2-CG 4.36Å
5V96.9Very high93.4Very high0 Ų012.7 Ų12.70%07%0.071CC..EExtended strand (participates in β ladder)trans-110.5116177.3-178.70000108.1L3 N82 L91 H102 C103 L104 V105L3-V5 HydrophobicContact CD1-CG2 4.5Å; L3-V5 HydrophobicContact CD2-CG2 3.88Å; L3-V5 HydrophobicContact CG-CG2 3.86Å; V5-N82 HydrophobicContact CG1-CB 3.88Å; V5-N82 WeakPolarHBondContact CG1-ND2 3.33Å; V5-L91 HydrophobicContact CG1-CD1 4.01Å; V5-L91 HydrophobicContact CG2-CD1 4.2Å; V5-H102 WeakPolarHBondContact CG2-NE2 3.34Å; V5-C103 PolarHBondContact N-O 2.92Å; V5-L104 HydrophobicContact CB-CD1 3.92Å; V5-L104 HydrophobicContact CG1-CD1 3.76Å; V5-V105 PolarHBondContact O-N 3.05Å
6M97.3Very high93.5Very high0 Ų021.4 Ų21.40%010%0.102CC..EExtended strand (participates in β ladder)trans-82.2136.4173.4-55-55-66.700109.4V4 K14 R17 A18 L21 I77 L78 N82 V105V4-M6 HydrophobicContact CG1-SD 4.02Å; M6-K14 HydrophobicContact CB-CB 4.12Å; M6-K14 HydrophobicContact CB-CD 3.99Å; M6-K14 HydrophobicContact CB-CG 4.1Å; M6-R17 HydrophobicContact CE-CB 3.6Å; M6-A18 HydrophobicContact CG-CB 4.17Å; M6-L21 HydrophobicContact SD-CD1 4.15Å; M6-I77 HydrophobicContact CG-CG2 4.08Å; M6-I77 HydrophobicContact SD-CG2 4.32Å; M6-L78 WeakPolarHBondContact CB-O 3.49Å; M6-L78 PolarHBondContact N-O 3.31Å; M6-N82 WeakPolarHBondContact O-CB 3.21Å; M6-N82 PolarHBondContact O-ND2 2.91Å; M6-V105 CarbonylContact C-O 3.57Å; M6-V105 HydrophobicContact CE-CB 4.19Å; M6-V105 HydrophobicContact CE-CG1 3.95Å; M6-V105 HydrophobicContact SD-CB 3.96Å; M6-V105 HydrophobicContact SD-CG1 4.34Å; M6-V105 HydrophobicContact SD-CG2 4.45Å
7C96.9Very high93.6Very high0 Ų021.2 Ų21.20%010%0.1CC..EExtended strand (participates in β ladder)trans-139.2147-179.1-176.20000110.4N82 L104 V105 H106 C107 P142C7-N82 PolarHBondContact SG-O 2.77Å; C7-L104 HydrophobicContact CB-CD1 3.74Å; C7-V105 PolarHBondContact N-O 2.87Å; C7-H106 CarbonylContact O-C 3.53Å; C7-H106 WeakPolarHBondContact O-CA 3.41Å; C7-C107 PolarHBondContact O-N 3.31Å; C7-P142 HydrophobicContact CB-CG 4.49Å
8G96.7Very high93.7Very high0 Ų020 Ų200%010%0.095CC..  trans151.3174.417600000111.8K14G8-K14 PolarHBondContact O-NZ 3.13Å
9Y97.4Very high93.8Very high56 Ų5624.5 Ų24.522%0.2212%0.116CC..SBendtrans-54.3157.2178.7-68.6-25.3000113.7C11 S12 K14 T109 V136 F139Y9-C11 PolarHBondContact O-N 2.88Å; Y9-S12 VanDerWaalsContact O-CB 3.25Å; Y9-S12 WeakPolarHBondContact O-CB 3.24Å; Y9-S12 PolarHBondContact O-N 3.2Å; Y9-S12 VanDerWaalsContact O-N 3.13Å; Y9-S12 PolarHBondContact O-OG 3.38Å; Y9-K14 PolarHBondContact O-NZ 2.67Å; Y9-T109 WeakPolarHBondContact CD2-O 3.47Å; Y9-T109 WeakPolarHBondContact CE2-O 3.43Å; Y9-V136 HydrophobicContact CD1-CG2 4.24Å; Y9-V136 HydrophobicContact CE1-CG1 4.06Å; Y9-V136 HydrophobicContact CE2-CG1 4.44Å; Y9-V136 HydrophobicContact CG-CG2 4.26Å; Y9-F139 HydrophobicContact CD1-CB 3.89Å; Y9-F139 AromaticContact CD1-CD1 3.95Å; Y9-F139 HydrophobicContact CD1-CD1 3.95Å; Y9-F139 AromaticContact CD1-CD2 3.82Å; Y9-F139 HydrophobicContact CD1-CD2 3.82Å; Y9-F139 HydrophobicContact CD1-CE1 4.44Å; Y9-F139 HydrophobicContact CD1-CE2 4.41Å; Y9-F139 AromaticContact CD1-CG 3.62Å; Y9-F139 HydrophobicContact CD1-CG 3.62Å; Y9-F139 HydrophobicContact CE1-CB 3.58Å; Y9-F139 AromaticContact CE1-CD1 3.42Å; Y9-F139 HydrophobicContact CE1-CD1 3.42Å; Y9-F139 VanDerWaalsContact CE1-CD1 3.42Å; Y9-F139 HydrophobicContact CE1-CD2 4.12Å; Y9-F139 HydrophobicContact CE1-CE1 4.1Å; Y9-F139 AromaticContact CE1-CG 3.44Å; Y9-F139 HydrophobicContact CE1-CG 3.44Å; Y9-F139 VanDerWaalsContact CE1-CG 3.44Å
10P95.3Very high93.9Very high3 Ų325.7 Ų25.72%0.01912%0.121CC..THydrogen-bonded Turntrans-48.9138.9166.5-22.132.9000109.7S12 L81 S114 Y127 F132 L135P10-S12 PolarHBondContact O-N 2.95Å; P10-S12 VanDerWaalsContact O-N 3.15Å; P10-L81 HydrophobicContact CB-CD2 4.21Å; P10-L81 HydrophobicContact CG-CD2 4.09Å; P10-S114 WeakPolarHBondContact O-CB 3.5Å; P10-S114 PolarHBondContact O-OG 3.45Å; P10-Y127 HydrophobicContact CB-CD2 4.05Å; P10-Y127 HydrophobicContact CB-CE1 4.43Å; P10-Y127 HydrophobicContact CB-CE2 3.83Å; P10-Y127 HydrophobicContact CB-CG 4.46Å; P10-F132 HydrophobicContact CB-CD2 3.81Å; P10-F132 HydrophobicContact CB-CE2 3.92Å; P10-F132 HydrophobicContact CG-CD2 4.22Å; P10-F132 HydrophobicContact CG-CE2 4.4Å; P10-L135 HydrophobicContact CG-CB 3.62Å; P10-L135 HydrophobicContact CG-CD1 3.73Å; P10-L135 HydrophobicContact CG-CG 4.3Å
11C94.7Very high94Very high8 Ų824.8 Ų24.85%0.05412%0.117CC..THydrogen-bonded Turntrans67.44.7179.4-47.80000117.1Y9 G13 S114 W117 N118 R121Y9-C11 PolarHBondContact O-N 2.88Å; C11-G13 PolarHBondContact O-N 3.06Å; C11-S114 WeakPolarHBondContact CB-O 3.39Å; C11-W117 HydrophobicContact CB-CB 4.31Å; C11-N118 HydrophobicContact CB-CB 4.39Å; C11-N118 PolarHBondContact SG-OD1 3.07Å; C11-N118 VanDerWaalsContact SG-OD1 3.4Å; C11-R121 PolarHBondContact SG-NH1 2.82Å
12S95.5Very high95.3Very high5 Ų525.3 Ų25.34%0.03512%0.118CC..SBendtrans-6815.1-175.971.20000117.8Y9 P10 K14 C107 T109Y9-S12 VanDerWaalsContact O-CB 3.25Å; Y9-S12 WeakPolarHBondContact O-CB 3.24Å; Y9-S12 PolarHBondContact O-N 3.2Å; Y9-S12 VanDerWaalsContact O-N 3.13Å; Y9-S12 PolarHBondContact O-OG 3.38Å; P10-S12 PolarHBondContact O-N 2.95Å; P10-S12 VanDerWaalsContact O-N 3.15Å; S12-K14 PolarHBondContact OG-NZ 3.12Å; S12-C107 WeakPolarHBondContact O-CB 3.35Å; S12-C107 PolarHBondContact OG-O 3.39Å; S12-T109 VanDerWaalsContact CB-OG1 3.26Å; S12-T109 WeakPolarHBondContact CB-OG1 3.36Å
13G94.2Very high95.7Very high23 Ų2328 Ų2824%0.23714%0.14CC..SBendtrans83.37179.600000115.9C11 T15 R16 R17C11-G13 PolarHBondContact O-N 3.06Å; G13-T15 PolarHBondContact O-N 3.28Å; G13-R16 WeakPolarHBondContact O-CB 2.93Å; G13-R16 PolarHBondContact O-N 3.48Å; G13-R17 PolarHBondContact O-N 3.45Å; G13-R17 VanDerWaalsContact O-N 3.11Å
14K95.3Very high95.8Very high12 Ų1228.8 Ų28.85%0.05214%0.143CC..Hα-helixtrans-48.4-51.7178.1-71.2-177-68.9-72.90113.8M6 G8 Y9 S12 R16 R17 A18 D79 S80 C107M6-K14 HydrophobicContact CB-CB 4.12Å; M6-K14 HydrophobicContact CB-CD 3.99Å; M6-K14 HydrophobicContact CB-CG 4.1Å; G8-K14 PolarHBondContact O-NZ 3.13Å; Y9-K14 PolarHBondContact O-NZ 2.67Å; S12-K14 PolarHBondContact OG-NZ 3.12Å; K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 3.19Å; K14-R17 CarbonylContact O-C 3.58Å; K14-R17 PolarHBondContact O-N 2.95Å; K14-R17 VanDerWaalsContact O-N 3.08Å; K14-A18 WeakPolarHBondContact O-CB 3.08Å; K14-A18 PolarHBondContact O-N 3.13Å; K14-D79 WeakPolarHBondContact CB-OD1 3.31Å; K14-S80 VanDerWaalsContact CD-O 3.26Å; K14-S80 WeakPolarHBondContact CD-O 3.35Å; K14-S80 VanDerWaalsContact CE-O 3.25Å; K14-S80 WeakPolarHBondContact CE-O 3.36Å; K14-C107 HydrophobicContact CG-CB 4.01Å
15T94.3Very high95.8Very high29 Ų2928.8 Ų28.818%0.17814%0.143CC..Hα-helixtrans-58.7-44.1-178.4-52.70000112.4G13 R17 A18 E19 D79G13-T15 PolarHBondContact O-N 3.28Å; T15-R17 VanDerWaalsContact C-N 3.35Å; T15-R17 PolarHBondContact O-N 3.4Å; T15-A18 WeakPolarHBondContact O-CB 3.43Å; T15-A18 PolarHBondContact O-N 3.14Å; T15-E19 WeakPolarHBondContact O-CG 3.48Å; T15-E19 PolarHBondContact O-N 3.2Å; T15-D79 VanDerWaalsContact CA-OD2 3.22Å; T15-D79 WeakPolarHBondContact CA-OD2 3.36Å; T15-D79 WeakPolarHBondContact CB-OD2 3.29Å; T15-D79 WeakPolarHBondContact CG2-OD2 3.39Å; T15-D79 PolarHBondContact N-OD1 2.84Å; T15-D79 PolarHBondContact OG1-OD1 3.03Å; T15-D79 PolarHBondContact OG1-OD2 3.19Å
16R94.2Very high95.7Very high152 Ų15233.7 Ų33.757%0.57417%0.166SC*.Hα-helixtrans-58.4-47.3174.7175.9-177167.6-1791.1111.2G13 K14 A18 E19 E20G13-R16 WeakPolarHBondContact O-CB 2.93Å; G13-R16 PolarHBondContact O-N 3.48Å; K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 3.19Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.24Å; R16-E19 PolarHBondContact O-N 2.74Å; R16-E20 IonicContact CZ-OE1 3.8Å; R16-E20 IonicContact NE-OE1 3.95Å; R16-E20 PolarHBondContact NE-OE1 3.3Å; R16-E20 IonicContact NH2-OE1 2.98Å; R16-E20 PolarHBondContact NH2-OE1 2.96Å; R16-E20 WeakPolarHBondContact O-CG 3.2Å; R16-E20 PolarHBondContact O-N 3.24Å
17R95.2Very high95.6Very high17 Ų1741.7 Ų41.76%0.06420%0.204CC..Hα-helixtrans-66.3-34.9178.8-60.3-48.2-170.9173.16.7112.4M6 G13 K14 T15 E20 L21 V155 L156 K157 D159M6-R17 HydrophobicContact CE-CB 3.6Å; G13-R17 PolarHBondContact O-N 3.45Å; G13-R17 VanDerWaalsContact O-N 3.11Å; K14-R17 CarbonylContact O-C 3.58Å; K14-R17 PolarHBondContact O-N 2.95Å; K14-R17 VanDerWaalsContact O-N 3.08Å; T15-R17 VanDerWaalsContact C-N 3.35Å; T15-R17 PolarHBondContact O-N 3.4Å; R17-E20 WeakPolarHBondContact CD-OE2 3.4Å; R17-E20 IonicContact CZ-OE2 2.87Å; R17-E20 IonicContact NE-OE2 3.8Å; R17-E20 IonicContact NH1-OE1 3.32Å; R17-E20 IonicContact NH1-OE2 2.92Å; R17-E20 PolarHBondContact NH1-OE2 3.21Å; R17-L21 WeakPolarHBondContact O-CB 3.43Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.15Å; R17-L21 PolarHBondContact O-N 3.32Å; R17-V155 HydrophobicContact CG-CG1 4.48Å; R17-L156 PolarHBondContact NH2-O 3.34Å; R17-K157 PolarHBondContact NH2-O 3.35Å; R17-D159 PolarHBondContact NH1-O 3.42Å; R17-D159 PolarHBondContact NH2-O 3.44Å
18A96.1Very high95.5Very high0 Ų045 Ų450%022%0.224CC..Hα-helixtrans-65.6-40.3175.100000111.8M6 K14 T15 R16 L21 K22 I35 I77 D79M6-A18 HydrophobicContact CG-CB 4.17Å; K14-A18 WeakPolarHBondContact O-CB 3.08Å; K14-A18 PolarHBondContact O-N 3.13Å; T15-A18 WeakPolarHBondContact O-CB 3.43Å; T15-A18 PolarHBondContact O-N 3.14Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.24Å; A18-L21 PolarHBondContact O-N 3.13Å; A18-K22 WeakPolarHBondContact O-CB 3.31Å; A18-K22 PolarHBondContact O-N 3.15Å; A18-I35 HydrophobicContact CB-CD1 4.43Å; A18-I77 HydrophobicContact CB-CG2 3.78Å; A18-D79 HydrophobicContact CB-CB 4.03Å
19E95.9Very high95.2Very high106 Ų10646.1 Ų46.150%0.49523%0.231SC..Hα-helixtrans-67.5-43.7175-72169.2179.500111.9T15 R16 L21 K22 A23 I35T15-E19 WeakPolarHBondContact O-CG 3.48Å; T15-E19 PolarHBondContact O-N 3.2Å; R16-E19 PolarHBondContact O-N 2.74Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.25Å; E19-K22 PolarHBondContact O-N 3.42Å; E19-A23 PolarHBondContact O-N 3.27Å; E19-I35 HydrophobicContact CG-CD1 4.3Å
20E95.8Very high94.8Very high48 Ų4852.2 Ų52.222%0.22427%0.267CS..Hα-helixtrans-57.9-44.9173.6-72.5168177.300111.2R16 R17 H24 P161 L163R16-E20 IonicContact CZ-OE1 3.8Å; R16-E20 IonicContact NE-OE1 3.95Å; R16-E20 PolarHBondContact NE-OE1 3.3Å; R16-E20 IonicContact NH2-OE1 2.98Å; R16-E20 PolarHBondContact NH2-OE1 2.96Å; R16-E20 WeakPolarHBondContact O-CG 3.2Å; R16-E20 PolarHBondContact O-N 3.24Å; R17-E20 WeakPolarHBondContact CD-OE2 3.4Å; R17-E20 IonicContact CZ-OE2 2.87Å; R17-E20 IonicContact NE-OE2 3.8Å; R17-E20 IonicContact NH1-OE1 3.32Å; R17-E20 IonicContact NH1-OE2 2.92Å; R17-E20 PolarHBondContact NH1-OE2 3.21Å; E20-H24 WeakPolarHBondContact O-CB 3.24Å; E20-H24 PolarHBondContact O-N 3.27Å; E20-H24 VanDerWaalsContact O-N 3.11Å; E20-P161 HydrophobicContact CB-CG 4.47Å; E20-P161 WeakPolarHBondContact OE2-CG 3.47Å; E20-L163 HydrophobicContact CB-CD2 4.41Å
21L95.7Very high94.5Very high6 Ų656 Ų563%0.03128%0.281CS..Hα-helixtrans-64.2-42.2174.7-77.2167.9000112.4V4 M6 R17 A18 E19 H24 F25 I77 L163 V166V4-L21 HydrophobicContact CG1-CD1 4.22Å; M6-L21 HydrophobicContact SD-CD1 4.15Å; R17-L21 WeakPolarHBondContact O-CB 3.43Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.15Å; R17-L21 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.13Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.25Å; L21-H24 PolarHBondContact O-N 3.46Å; L21-F25 HydrophobicContact CB-CD2 4.5Å; L21-F25 HydrophobicContact CB-CE2 4.24Å; L21-F25 HydrophobicContact CD2-CE2 4.21Å; L21-F25 HydrophobicContact CD2-CZ 4.41Å; L21-F25 WeakPolarHBondContact O-CD2 3.38Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.95Å; L21-I77 HydrophobicContact CB-CD1 3.92Å; L21-L163 HydrophobicContact CD2-CD2 3.73Å; L21-L163 HydrophobicContact CG-CD2 4.12Å; L21-V166 HydrophobicContact CD2-CB 3.94Å; L21-V166 HydrophobicContact CD2-CG1 3.89Å; L21-V166 HydrophobicContact CD2-CG2 4.12Å
22K96.1Very high94.4Very high67 Ų6761.6 Ų61.629%0.29131%0.307SS..Hα-helixtrans-60.4-51.5178.3178.1-179174.3-173.40110.8A18 E19 H24 F25 E26 V33 I35 I77A18-K22 WeakPolarHBondContact O-CB 3.31Å; A18-K22 PolarHBondContact O-N 3.15Å; E19-K22 PolarHBondContact O-N 3.42Å; K22-H24 VanDerWaalsContact C-N 3.29Å; K22-H24 PolarHBondContact O-N 3.32Å; K22-F25 PolarHBondContact O-N 2.97Å; K22-F25 VanDerWaalsContact O-N 3.16Å; K22-E26 WeakPolarHBondContact CE-OE1 3.39Å; K22-E26 WeakPolarHBondContact CE-OE2 3.3Å; K22-E26 HydrophobicContact CG-CG 4.32Å; K22-E26 IonicContact NZ-OE1 2.83Å; K22-E26 WeakPolarHBondContact O-CG 3.31Å; K22-E26 PolarHBondContact O-N 3.42Å; K22-V33 HydrophobicContact CB-CG1 4.22Å; K22-V33 HydrophobicContact CG-CB 4.16Å; K22-V33 HydrophobicContact CG-CG1 3.85Å; K22-I35 HydrophobicContact CB-CD1 3.88Å; K22-I35 HydrophobicContact CB-CG1 4.29Å; K22-I35 HydrophobicContact CD-CD1 3.57Å; K22-I35 HydrophobicContact CD-CG1 3.93Å; K22-I35 HydrophobicContact CG-CD1 4.29Å; K22-I77 HydrophobicContact CB-CD1 4.1Å
23A96.8Very high94.4Very high55 Ų5561.8 Ų61.846%0.45531%0.308SS..Hα-helixtrans-57-45.3179.100000111.3E19 F25 E26 E27E19-A23 PolarHBondContact O-N 3.27Å; A23-F25 PolarHBondContact O-N 3.24Å; A23-E26 PolarHBondContact O-N 3.1Å; A23-E27 WeakPolarHBondContact O-CB 3.26Å; A23-E27 PolarHBondContact O-N 3.04Å
24H95.8Very high94.5Very high17 Ų1762.7 Ų62.78%0.07931%0.305CS..Hα-helixtrans-59.9-44.7176.6177.669.7000113E20 L21 K22 E27 T28 L163 E164E20-H24 WeakPolarHBondContact O-CB 3.24Å; E20-H24 PolarHBondContact O-N 3.27Å; E20-H24 VanDerWaalsContact O-N 3.11Å; L21-H24 PolarHBondContact O-N 3.46Å; K22-H24 VanDerWaalsContact C-N 3.29Å; K22-H24 PolarHBondContact O-N 3.32Å; H24-E27 PolarHBondContact O-N 3.01Å; H24-T28 WeakPolarHBondContact O-CB 3.49Å; H24-T28 WeakPolarHBondContact O-CG2 3.47Å; H24-T28 PolarHBondContact O-N 3.38Å; H24-T28 PolarHBondContact O-OG1 3.15Å; H24-L163 HydrophobicContact CB-CB 4.33Å; H24-L163 HydrophobicContact CB-CD1 4.06Å; H24-L163 HydrophobicContact CB-CD2 4.11Å; H24-L163 HydrophobicContact CB-CG 4.38Å; H24-E164 IonicContact CE1-OE1 2.88Å; H24-E164 PolarHBondContact CE1-OE1 3.21Å; H24-E164 VanDerWaalsContact CE1-OE1 3.24Å; H24-E164 IonicContact NE2-OE1 3.62Å
25F95.1Very high94.5Very high0 Ų064.9 Ų64.90%032%0.317CS..Hα-helixtrans-70.1-35.2179.3-70.8-46.1000113.1L21 K22 A23 E27 T29 V33 I75 I77 V166 L170 F171L21-F25 HydrophobicContact CB-CD2 4.5Å; L21-F25 HydrophobicContact CB-CE2 4.24Å; L21-F25 HydrophobicContact CD2-CE2 4.21Å; L21-F25 HydrophobicContact CD2-CZ 4.41Å; L21-F25 WeakPolarHBondContact O-CD2 3.38Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.95Å; K22-F25 PolarHBondContact O-N 2.97Å; K22-F25 VanDerWaalsContact O-N 3.16Å; A23-F25 PolarHBondContact O-N 3.24Å; F25-E27 VanDerWaalsContact C-N 3.29Å; F25-T29 WeakPolarHBondContact O-CB 3.38Å; F25-T29 PolarHBondContact O-N 2.95Å; F25-T29 PolarHBondContact O-OG1 3.02Å; F25-V33 HydrophobicContact CB-CG1 4.32Å; F25-V33 HydrophobicContact CB-CG2 3.6Å; F25-V33 HydrophobicContact CD2-CG1 4.46Å; F25-I75 HydrophobicContact CB-CD1 3.92Å; F25-I75 HydrophobicContact CD1-CD1 4.09Å; F25-I75 HydrophobicContact CD2-CD1 4.42Å; F25-I75 HydrophobicContact CD2-CG2 3.91Å; F25-I75 HydrophobicContact CE2-CG2 4.14Å; F25-I75 HydrophobicContact CG-CD1 3.9Å; F25-I75 HydrophobicContact CG-CG2 4.47Å; F25-I77 HydrophobicContact CD2-CD1 4.37Å; F25-V166 HydrophobicContact CZ-CG1 4.04Å; F25-L170 HydrophobicContact CE1-CD1 4.34Å; F25-L170 HydrophobicContact CE2-CD1 4.11Å; F25-L170 HydrophobicContact CZ-CD1 3.61Å; F25-F171 HydrophobicContact CD1-CE2 4.28Å; F25-F171 HydrophobicContact CD1-CZ 4.37Å; F25-F171 HydrophobicContact CE1-CE2 4.04Å; F25-F171 HydrophobicContact CE1-CZ 4.29Å
26E95.3Very high94.6Very high103 Ų10363.8 Ų63.848%0.48131%0.31SS..Hα-helixtrans-67.9-29.8174.9-71.4178.6152.200112K22 A23 V33K22-E26 WeakPolarHBondContact CE-OE1 3.39Å; K22-E26 WeakPolarHBondContact CE-OE2 3.3Å; K22-E26 HydrophobicContact CG-CG 4.32Å; K22-E26 IonicContact NZ-OE1 2.83Å; K22-E26 WeakPolarHBondContact O-CG 3.31Å; K22-E26 PolarHBondContact O-N 3.42Å; A23-E26 PolarHBondContact O-N 3.1Å; E26-V33 HydrophobicContact CG-CB 3.99Å; E26-V33 HydrophobicContact CG-CG2 3.72Å
27E95.8Very high94.5Very high168 Ų16856.8 Ų56.879%0.78529%0.286SS*.Hα-helixtrans-80.8-39176.1-175.5176.1-165.400112.9A23 H24 F25A23-E27 WeakPolarHBondContact O-CB 3.26Å; A23-E27 PolarHBondContact O-N 3.04Å; H24-E27 PolarHBondContact O-N 3.01Å; F25-E27 VanDerWaalsContact C-N 3.29Å
28T93.4Very high93.9Very high69 Ų6956.7 Ų56.742%0.42329%0.286SS..Hα-helixtrans-94.9-10.9-17257.70000114.3H24H24-T28 WeakPolarHBondContact O-CB 3.49Å; H24-T28 WeakPolarHBondContact O-CG2 3.47Å; H24-T28 PolarHBondContact O-N 3.38Å; H24-T28 PolarHBondContact O-OG1 3.15Å
29T90.5Very high93Very high25 Ų2562.3 Ų62.315%0.15331%0.308CS..  trans-138.7145.7-176.4790000112.1F25 R31 F171F25-T29 WeakPolarHBondContact O-CB 3.38Å; F25-T29 PolarHBondContact O-N 2.95Å; F25-T29 PolarHBondContact O-OG1 3.02Å; T29-R31 PolarHBondContact O-N 3Å; T29-F171 HydrophobicContact CG2-CE2 4.1Å; T29-F171 HydrophobicContact CG2-CZ 4.23Å
30D90.1Very high91.8Very high183 Ų18361.4 Ų61.498%0.97932%0.318SS*.SBendtrans-78.420.4174.1-59-51.3000113.4
31R88.9Confident90.6Very high84 Ų8462.7 Ų62.732%0.31733%0.326SS..SBendtrans-99.5151.9-171.3-68.1-172.7-177.8137.612.7112.2M1 T29 V33 D73 I75M1-R31 VanDerWaalsContact CE-NH1 3.25Å; M1-R31 PolarHBondContact SD-NE 2.82Å; M1-R31 PolarHBondContact SD-NH1 2.88Å; M1-R31 PolarHBondContact SD-NH2 3.49Å; T29-R31 PolarHBondContact O-N 3Å; R31-V33 PolarHBondContact O-N 3.49Å; R31-D73 WeakPolarHBondContact CB-O 3.3Å; R31-D73 VanDerWaalsContact CD-O 3.31Å; R31-D73 WeakPolarHBondContact CD-O 3.44Å; R31-D73 VanDerWaalsContact CG-O 3.29Å; R31-D73 WeakPolarHBondContact CG-O 3.34Å; R31-I75 HydrophobicContact CB-CD1 4.19Å; R31-I75 HydrophobicContact CB-CG1 4.48Å
32Q92.9Very high89.5Confident125 Ų12565.7 Ų65.758%0.58436%0.359SS*.  trans-73127.3170.6-63.9-166.87.800110.5N74 I75Q32-N74 WeakPolarHBondContact O-CA 3.46Å; Q32-I75 PolarHBondContact O-N 3.04Å
33V95.6Very high88.5Confident9 Ų964 Ų646%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-111121.1178.8-166.80000109.4K22 F25 E26 R31 I75 I77K22-V33 HydrophobicContact CB-CG1 4.22Å; K22-V33 HydrophobicContact CG-CB 4.16Å; K22-V33 HydrophobicContact CG-CG1 3.85Å; F25-V33 HydrophobicContact CB-CG1 4.32Å; F25-V33 HydrophobicContact CB-CG2 3.6Å; F25-V33 HydrophobicContact CD2-CG1 4.46Å; E26-V33 HydrophobicContact CG-CB 3.99Å; E26-V33 HydrophobicContact CG-CG2 3.72Å; R31-V33 PolarHBondContact O-N 3.49Å; V33-I75 WeakPolarHBondContact CA-O 3.34Å; V33-I75 HydrophobicContact CG1-CB 4.25Å; V33-I75 HydrophobicContact CG1-CG2 4.16Å; V33-I75 HydrophobicContact CG2-CB 4.37Å; V33-I75 HydrophobicContact CG2-CD1 4.23Å; V33-I77 HydrophobicContact CG1-CD1 4.02Å; V33-I77 HydrophobicContact CG1-CG1 4.49Å
34H95.5Very high88.1Confident42 Ų4265.6 Ų65.619%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-114.9126-178.7-55.5-68.6000110.7K69 N74 I75 V76 I77H34-K69 HydrophobicContact CB-CD 3.62Å; H34-N74 PolarHBondContact NE2-ND2 3.39Å; H34-I75 PolarHBondContact N-O 2.85Å; H34-V76 CarbonylContact O-C 3.4Å; H34-V76 WeakPolarHBondContact O-CA 3.2Å; H34-I77 PolarHBondContact O-N 2.87Å
35I96.1Very high87.8Confident57 Ų5766.1 Ų66.129%0.29236%0.356SS..EExtended strand (participates in β ladder)trans-91.4124.6163.6-65.2170.9000107.9A18 E19 K22 I77 D79A18-I35 HydrophobicContact CB-CD1 4.43Å; E19-I35 HydrophobicContact CG-CD1 4.3Å; K22-I35 HydrophobicContact CB-CD1 3.88Å; K22-I35 HydrophobicContact CB-CG1 4.29Å; K22-I35 HydrophobicContact CD-CD1 3.57Å; K22-I35 HydrophobicContact CD-CG1 3.93Å; K22-I35 HydrophobicContact CG-CD1 4.29Å; I35-I77 CarbonylContact C-O 3.53Å; I35-I77 WeakPolarHBondContact CA-O 3.14Å; I35-I77 HydrophobicContact CG1-CB 4.21Å; I35-I77 HydrophobicContact CG1-CD1 4.41Å; I35-D79 HydrophobicContact CG2-CB 3.89Å
36V95.3Very high87.8Confident6 Ų668.2 Ų68.24%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-110.7125.7170.5178.10000106.9L62 E65 V66 K69 V76 I77 L78 D79V36-L62 HydrophobicContact CG1-CD2 3.91Å; V36-E65 HydrophobicContact CG1-CB 3.9Å; V36-E65 HydrophobicContact CG1-CG 3.81Å; V36-E65 HydrophobicContact CG2-CG 4.2Å; V36-V66 HydrophobicContact CB-CG2 4.12Å; V36-V66 HydrophobicContact CG1-CG2 4.03Å; V36-V66 HydrophobicContact CG2-CG2 4.33Å; V36-K69 HydrophobicContact CG2-CD 4.07Å; V36-V76 HydrophobicContact CG2-CG1 4.04Å; V36-I77 PolarHBondContact N-O 3.03Å; V36-L78 HydrophobicContact CB-CD1 4.3Å; V36-L78 HydrophobicContact CG1-CD1 4.09Å; V36-L78 CarbonylContact O-C 3.6Å; V36-L78 WeakPolarHBondContact O-CA 3.5Å; V36-D79 PolarHBondContact O-N 3.42Å
37G92.3Very high87.7Confident6 Ų665.4 Ų65.46%0.06236%0.359CS..EExtended strand (participates in β ladder)trans-166.7170.4-176.600000113.8R39 A40 D79G37-R39 PolarHBondContact O-N 3.45Å; G37-A40 PolarHBondContact O-N 3.02Å; G37-A40 VanDerWaalsContact O-N 3.16Å; G37-D79 WeakPolarHBondContact CA-O 3.4Å
38D82.5Confident87.6Confident14 Ų1458 Ų588%0.07533%0.326CS..G310 helixtrans-59.4-33.4-172.6-59.1-65.7000112.8A40 L41 L62 S80D38-A40 PolarHBondContact O-N 3.19Å; D38-L41 PolarHBondContact O-N 2.99Å; D38-L62 WeakPolarHBondContact OD1-CD1 3.45Å; D38-S80 PolarHBondContact OD1-OG 3.38Å; D38-S80 WeakPolarHBondContact OD2-CA 3.4Å; D38-S80 VanDerWaalsContact OD2-CB 3.31Å; D38-S80 WeakPolarHBondContact OD2-CB 3.41Å; D38-S80 PolarHBondContact OD2-OG 3.15Å
39R77.4Confident87.6Confident119 Ų11955.5 Ų55.545%0.44931%0.308SS..G310 helixtrans-62.6-40.7178.7-79.3-176.7164.3165.6-1.3112.8G37 L41 G42 E125G37-R39 PolarHBondContact O-N 3.45Å; R39-L41 PolarHBondContact O-N 3.37Å; R39-G42 PolarHBondContact O-N 3.06Å; R39-E125 IonicContact CZ-OE1 2.89Å; R39-E125 IonicContact CZ-OE2 2.59Å; R39-E125 IonicContact NE-OE1 3.62Å; R39-E125 PolarHBondContact NE-OE1 3.03Å; R39-E125 VanDerWaalsContact NH2-CD 3.33Å; R39-E125 IonicContact NH2-OE1 3.59Å; R39-E125 PolarHBondContact NH2-OE1 3.17Å; R39-E125 IonicContact NH2-OE2 2.75Å; R39-E125 PolarHBondContact NH2-OE2 3.32Å
40A70Confident87.8Confident87 Ų8757.8 Ų57.872%0.71933%0.33SS*.G310 helixtrans-68.9-22.8-178.500000112.5G37 D38G37-A40 PolarHBondContact O-N 3.02Å; G37-A40 VanDerWaalsContact O-N 3.16Å; D38-A40 PolarHBondContact O-N 3.19Å
41L72.1Confident88.1Confident74 Ų7452.1 Ų52.139%0.38730%0.299SS..G310 helixtrans-88.80.3178-66177.8000113.1D38 R39 V43 L62D38-L41 PolarHBondContact O-N 2.99Å; R39-L41 PolarHBondContact O-N 3.37Å; L41-V43 HydrophobicContact CB-CG2 3.69Å; L41-V43 PolarHBondContact O-N 3.11Å; L41-L62 HydrophobicContact CD1-CD2 3.56Å; L41-L62 HydrophobicContact CD1-CG 3.8Å; L41-L62 HydrophobicContact CG-CD2 4.47Å
42G72.7Confident88.4Confident69 Ų6953 Ų5371%0.71132%0.318SS*.THydrogen-bonded Turntrans63.82917900000113.5R39 D44R39-G42 PolarHBondContact O-N 3.06Å; G42-D44 PolarHBondContact O-N 3.08Å
43V75.3Confident88.5Confident32 Ų3251.5 Ų51.519%0.19431%0.312CS..  trans-74.9124-171.2174.10000111.1L41 R45 V48 T58L41-V43 HydrophobicContact CB-CG2 3.69Å; L41-V43 PolarHBondContact O-N 3.11Å; V43-R45 PolarHBondContact O-N 2.86Å; V43-R45 VanDerWaalsContact O-N 3.14Å; V43-V48 HydrophobicContact CG1-CB 3.77Å; V43-V48 HydrophobicContact CG1-CG1 4.2Å; V43-V48 HydrophobicContact CG1-CG2 3.33Å; V43-T58 HydrophobicContact CG2-CG2 4.15Å
44D88.3Confident88.4Confident89 Ų8955.2 Ų55.248%0.47633%0.327SS..  trans-72.1103.6162175.223.6000109.6G42 N46 S47 V48G42-D44 PolarHBondContact O-N 3.08Å; D44-N46 VanDerWaalsContact C-N 3.28Å; D44-N46 PolarHBondContact O-N 3.12Å; D44-N46 PolarHBondContact OD1-N 3.13Å; D44-S47 PolarHBondContact O-N 2.94Å; D44-S47 WeakPolarHBondContact OD2-CB 3.36Å; D44-S47 PolarHBondContact OD2-N 3.17Å; D44-V48 WeakPolarHBondContact O-CB 3.4Å; D44-V48 PolarHBondContact O-N 2.76Å
45R89.7Confident88.4Confident27 Ų2753.5 Ų53.510%0.10232%0.319CS..Hα-helixtrans-56.7-41.4-175.2-66168.6176.5155.86.2111.5V43 V48 Y49 E125 Y127V43-R45 PolarHBondContact O-N 2.86Å; V43-R45 VanDerWaalsContact O-N 3.14Å; R45-V48 PolarHBondContact O-N 2.91Å; R45-Y49 HydrophobicContact CB-CD2 4.21Å; R45-Y49 HydrophobicContact CB-CE2 4.21Å; R45-Y49 HydrophobicContact CG-CE2 4.43Å; R45-Y49 WeakPolarHBondContact O-CD2 3.4Å; R45-Y49 PolarHBondContact O-N 3.36Å; R45-E125 PolarHBondContact NH1-O 3.49Å; R45-Y127 HydrophobicContact CB-CD1 4.14Å; R45-Y127 HydrophobicContact CB-CE1 3.79Å; R45-Y127 HydrophobicContact CG-CE1 4.21Å
46N93.5Very high88.3Confident44 Ų4456.6 Ų56.624%0.23533%0.33CS..Hα-helixtrans-69.6-44.1-176.9-70.1-59.3000111.4D44 V48 A50 Q126 Y127 S128D44-N46 VanDerWaalsContact C-N 3.28Å; D44-N46 PolarHBondContact O-N 3.12Å; D44-N46 PolarHBondContact OD1-N 3.13Å; N46-V48 PolarHBondContact O-N 3.47Å; N46-A50 WeakPolarHBondContact O-CB 3.44Å; N46-A50 PolarHBondContact O-N 3.17Å; N46-Q126 PolarHBondContact ND2-O 3.32Å; N46-Y127 WeakPolarHBondContact OD1-CA 3.45Å; N46-S128 PolarHBondContact OD1-N 2.79Å
47S93.4Very high88.2Confident44 Ų4459.9 Ų59.931%0.30835%0.348SS..Hα-helixtrans-64.6-38.7175.6-168.60000112.8D44 K54D44-S47 PolarHBondContact O-N 2.94Å; D44-S47 WeakPolarHBondContact OD2-CB 3.36Å; D44-S47 PolarHBondContact OD2-N 3.17Å; S47-K54 PolarHBondContact OG-NZ 2.83Å
48V93.4Very high88.3Confident14 Ų1460.3 Ų60.39%0.08535%0.349CS..Hα-helixtrans-71.6-47.2-178.4165.20000112.3V43 D44 R45 N46 A50 D51 K54 E55 T58V43-V48 HydrophobicContact CG1-CB 3.77Å; V43-V48 HydrophobicContact CG1-CG1 4.2Å; V43-V48 HydrophobicContact CG1-CG2 3.33Å; D44-V48 WeakPolarHBondContact O-CB 3.4Å; D44-V48 PolarHBondContact O-N 2.76Å; R45-V48 PolarHBondContact O-N 2.91Å; N46-V48 PolarHBondContact O-N 3.47Å; V48-A50 VanDerWaalsContact C-N 3.26Å; V48-A50 PolarHBondContact O-N 2.67Å; V48-D51 PolarHBondContact O-N 3.18Å; V48-K54 HydrophobicContact CB-CB 4.49Å; V48-K54 HydrophobicContact CG1-CB 4.49Å; V48-K54 HydrophobicContact CG2-CB 4.24Å; V48-E55 HydrophobicContact CG1-CB 4.4Å; V48-T58 HydrophobicContact CG1-CG2 4.46Å; V48-T58 WeakPolarHBondContact CG1-OG1 3.29Å
49Y94.2Very high88.9Confident15 Ų1562.4 Ų62.46%0.05936%0.356CS..Hα-helixtrans-81.6-6-176.7-62.7-63.2000113.8R45 D51 E55 L81 Y127 L135R45-Y49 HydrophobicContact CB-CD2 4.21Å; R45-Y49 HydrophobicContact CB-CE2 4.21Å; R45-Y49 HydrophobicContact CG-CE2 4.43Å; R45-Y49 WeakPolarHBondContact O-CD2 3.4Å; R45-Y49 PolarHBondContact O-N 3.36Å; Y49-D51 VanDerWaalsContact C-N 3.35Å; Y49-E55 HydrophobicContact CD1-CG 3.75Å; Y49-E55 HydrophobicContact CE1-CG 3.91Å; Y49-L81 HydrophobicContact CD1-CD1 4.46Å; Y49-L81 HydrophobicContact CE1-CD1 3.72Å; Y49-L81 HydrophobicContact CE2-CD1 4.06Å; Y49-L81 VanDerWaalsContact CZ-CD1 3.48Å; Y49-L81 WeakPolarHBondContact OH-CD1 3.3Å; Y49-Y127 HydrophobicContact CD2-CD1 4.29Å; Y49-Y127 AromaticContact CD2-CE1 3.63Å; Y49-Y127 HydrophobicContact CD2-CE1 3.63Å; Y49-Y127 AromaticContact CE2-CE1 3.65Å; Y49-Y127 HydrophobicContact CE2-CE1 3.65Å; Y49-L135 HydrophobicContact CD1-CD1 4.42Å; Y49-L135 HydrophobicContact CD1-CD2 3.79Å; Y49-L135 HydrophobicContact CD2-CD1 3.98Å; Y49-L135 HydrophobicContact CE1-CD2 4.31Å; Y49-L135 HydrophobicContact CG-CD1 3.94Å; Y49-L135 HydrophobicContact CG-CD2 4.06Å; Y49-L135 HydrophobicContact CG-CG 4.47Å
50A95.4Very high89.7Confident74 Ų7459.4 Ų59.461%0.61236%0.357SS*.THydrogen-bonded Turntrans-79.6-16.4167.700000113.1N46 V48 I131N46-A50 WeakPolarHBondContact O-CB 3.44Å; N46-A50 PolarHBondContact O-N 3.17Å; V48-A50 VanDerWaalsContact C-N 3.26Å; V48-A50 PolarHBondContact O-N 2.67Å; A50-I131 HydrophobicContact CB-CD1 3.86Å
51D96.3Very high90.8Very high63 Ų6358.1 Ų58.134%0.33734%0.342SS..  trans-129.6117.4-173.1-176.1-49.9000110.6V48 Y49 Q53 K54 E55V48-D51 PolarHBondContact O-N 3.18Å; Y49-D51 VanDerWaalsContact C-N 3.35Å; D51-Q53 VanDerWaalsContact C-N 3.25Å; D51-Q53 PolarHBondContact O-N 2.89Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.47Å; D51-Q53 VanDerWaalsContact OD1-CB 3.31Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.39Å; D51-Q53 PolarHBondContact OD1-N 3.42Å; D51-K54 HydrophobicContact CB-CB 4.06Å; D51-K54 HydrophobicContact CB-CD 3.92Å; D51-K54 HydrophobicContact CB-CG 3.96Å; D51-K54 PolarHBondContact O-N 3.27Å; D51-K54 PolarHBondContact OD1-N 3.04Å; D51-K54 VanDerWaalsContact OD1-N 3.07Å; D51-E55 WeakPolarHBondContact O-CB 3.37Å; D51-E55 PolarHBondContact O-N 2.85Å
52S93.7Very high92Very high102 Ų10254.6 Ų54.671%0.71332%0.324SS*.Hα-helixtrans-64-28.8-175.461.20000113.7K56S52-K56 WeakPolarHBondContact O-CB 3.17Å; S52-K56 PolarHBondContact O-N 2.74Å
53Q95.1Very high93Very high95 Ų9554 Ų5444%0.44430%0.302SS..Hα-helixtrans-74.3-47.1177.6-176.656.148.500109.8D51 E55 K56 D57D51-Q53 VanDerWaalsContact C-N 3.25Å; D51-Q53 PolarHBondContact O-N 2.89Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.47Å; D51-Q53 VanDerWaalsContact OD1-CB 3.31Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.39Å; D51-Q53 PolarHBondContact OD1-N 3.42Å; Q53-E55 VanDerWaalsContact C-N 3.29Å; Q53-E55 PolarHBondContact O-N 2.83Å; Q53-K56 WeakPolarHBondContact O-CB 3.33Å; Q53-K56 PolarHBondContact O-N 2.97Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.47Å; Q53-D57 PolarHBondContact NE2-OD2 3.24Å; Q53-D57 VanDerWaalsContact O-CG 3.22Å; Q53-D57 PolarHBondContact O-N 3.06Å
54K95Very high94Very high86 Ų8653.9 Ų53.937%0.37430%0.304SS..Hα-helixtrans-60-39.9174.5-66.9-177.1-175.4165.30112.5S47 V48 D51 D57 T58S47-K54 PolarHBondContact OG-NZ 2.83Å; V48-K54 HydrophobicContact CB-CB 4.49Å; V48-K54 HydrophobicContact CG1-CB 4.49Å; V48-K54 HydrophobicContact CG2-CB 4.24Å; D51-K54 HydrophobicContact CB-CB 4.06Å; D51-K54 HydrophobicContact CB-CD 3.92Å; D51-K54 HydrophobicContact CB-CG 3.96Å; D51-K54 PolarHBondContact O-N 3.27Å; D51-K54 PolarHBondContact OD1-N 3.04Å; D51-K54 VanDerWaalsContact OD1-N 3.07Å; K54-D57 PolarHBondContact O-N 3.31Å; K54-T58 WeakPolarHBondContact O-CB 3.43Å; K54-T58 PolarHBondContact O-N 3.45Å; K54-T58 PolarHBondContact O-OG1 3.2Å
55E94.3Very high94.2Very high7 Ų752.3 Ų52.33%0.03329%0.294CS..Hα-helixtrans-63.8-42.9176.2-167.5-168.6133.100111.8V48 Y49 D51 Q53 T58 R59 Y83 R138V48-E55 HydrophobicContact CG1-CB 4.4Å; Y49-E55 HydrophobicContact CD1-CG 3.75Å; Y49-E55 HydrophobicContact CE1-CG 3.91Å; D51-E55 WeakPolarHBondContact O-CB 3.37Å; D51-E55 PolarHBondContact O-N 2.85Å; Q53-E55 VanDerWaalsContact C-N 3.29Å; Q53-E55 PolarHBondContact O-N 2.83Å; E55-T58 PolarHBondContact O-N 3.34Å; E55-R59 WeakPolarHBondContact O-CG 3.03Å; E55-R59 PolarHBondContact O-N 2.82Å; E55-Y83 WeakPolarHBondContact OE1-CE1 3.37Å; E55-Y83 VanDerWaalsContact OE1-CZ 3.28Å; E55-Y83 PolarHBondContact OE1-OH 2.66Å; E55-Y83 PolarHBondContact OE2-OH 2.99Å; E55-Y83 VanDerWaalsContact OE2-OH 3.12Å; E55-R138 IonicContact OE2-CZ 3.88Å; E55-R138 IonicContact OE2-NH1 3.07Å; E55-R138 PolarHBondContact OE2-NH1 3.06Å; E55-R138 IonicContact OE2-NH2 2.81Å
56K93.8Very high94.5Very high121 Ų12151 Ų5153%0.52629%0.289SS..Hα-helixtrans-61.6-44.2174.5-178.7-177.3174.2-172.60111.6S52 Q53 T58 R59 A60S52-K56 WeakPolarHBondContact O-CB 3.17Å; S52-K56 PolarHBondContact O-N 2.74Å; Q53-K56 WeakPolarHBondContact O-CB 3.33Å; Q53-K56 PolarHBondContact O-N 2.97Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; K56-T58 VanDerWaalsContact C-N 3.35Å; K56-R59 PolarHBondContact O-N 2.96Å; K56-A60 WeakPolarHBondContact O-CB 3.31Å; K56-A60 PolarHBondContact O-N 3.23Å
57D94.2Very high94.5Very high75 Ų7554 Ų5440%0.40130%0.302SS..Hα-helixtrans-68.1-36.1-179.3-65.6-24.9000111.9Q53 K54 A60 S61Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.47Å; Q53-D57 PolarHBondContact NE2-OD2 3.24Å; Q53-D57 VanDerWaalsContact O-CG 3.22Å; Q53-D57 PolarHBondContact O-N 3.06Å; K54-D57 PolarHBondContact O-N 3.31Å; D57-A60 PolarHBondContact O-N 3.1Å; D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.72Å; D57-S61 PolarHBondContact O-OG 3.06Å
58T93.6Very high94.4Very high16 Ų1660.6 Ų60.610%0.09832%0.32CS..Hα-helixtrans-63.5-46.4173.3-57.80000110.8V43 V48 K54 E55 K56 A60 S61 L62V43-T58 HydrophobicContact CG2-CG2 4.15Å; V48-T58 HydrophobicContact CG1-CG2 4.46Å; V48-T58 WeakPolarHBondContact CG1-OG1 3.29Å; K54-T58 WeakPolarHBondContact O-CB 3.43Å; K54-T58 PolarHBondContact O-N 3.45Å; K54-T58 PolarHBondContact O-OG1 3.2Å; E55-T58 PolarHBondContact O-N 3.34Å; K56-T58 VanDerWaalsContact C-N 3.35Å; T58-A60 PolarHBondContact O-N 2.97Å; T58-S61 PolarHBondContact O-N 3.12Å; T58-L62 HydrophobicContact CG2-CD1 4.26Å; T58-L62 WeakPolarHBondContact O-CG 3.5Å; T58-L62 PolarHBondContact O-N 3.06Å
59R94.4Very high94.4Very high58 Ų5862.1 Ų62.122%0.21933%0.325CS..Hα-helixtrans-61.1-42.6174.7-73.4-171.7-67.4148.6-4.9112.2E55 K56 S61 L62 K63 Y87E55-R59 WeakPolarHBondContact O-CG 3.03Å; E55-R59 PolarHBondContact O-N 2.82Å; K56-R59 PolarHBondContact O-N 2.96Å; R59-S61 VanDerWaalsContact C-N 3.32Å; R59-S61 PolarHBondContact O-N 3.38Å; R59-L62 PolarHBondContact O-N 3.41Å; R59-K63 WeakPolarHBondContact O-CB 3.46Å; R59-K63 PolarHBondContact O-N 3.27Å; R59-Y87 HydrophobicContact CB-CD2 4.1Å; R59-Y87 HydrophobicContact CB-CE1 4.33Å; R59-Y87 HydrophobicContact CB-CE2 3.76Å; R59-Y87 HydrophobicContact CG-CD1 4.18Å; R59-Y87 HydrophobicContact CG-CD2 4.41Å; R59-Y87 HydrophobicContact CG-CE1 4.04Å; R59-Y87 HydrophobicContact CG-CE2 4.31Å; R59-Y87 HydrophobicContact CG-CG 4.37Å; R59-Y87 PolarHBondContact O-OH 2.94Å; R59-Y87 VanDerWaalsContact O-OH 3.05Å
60A94.4Very high94.1Very high55 Ų5562.1 Ų62.146%0.45533%0.327SS..Hα-helixtrans-62-41.6176.200000111.8K56 D57 T58 K63 A64K56-A60 WeakPolarHBondContact O-CB 3.31Å; K56-A60 PolarHBondContact O-N 3.23Å; D57-A60 PolarHBondContact O-N 3.1Å; T58-A60 PolarHBondContact O-N 2.97Å; A60-K63 PolarHBondContact O-N 2.99Å; A60-A64 WeakPolarHBondContact O-CB 3.48Å; A60-A64 PolarHBondContact O-N 3.11Å
61S94.8Very high93.5Very high60 Ų6061.4 Ų61.442%0.4231%0.313SS..Hα-helixtrans-65.1-47.5178.5-59.60000112D57 T58 R59 K63 A64 E65D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.72Å; D57-S61 PolarHBondContact O-OG 3.06Å; T58-S61 PolarHBondContact O-N 3.12Å; R59-S61 VanDerWaalsContact C-N 3.32Å; R59-S61 PolarHBondContact O-N 3.38Å; S61-K63 VanDerWaalsContact C-N 3.35Å; S61-K63 PolarHBondContact O-N 3.28Å; S61-A64 PolarHBondContact O-N 3.4Å; S61-E65 WeakPolarHBondContact O-CB 3.29Å; S61-E65 PolarHBondContact O-N 3.46Å
62L95.6Very high92.6Very high0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-59-45.4175.1-73.5169000111.8V36 D38 L41 T58 R59 E65 V66 L78V36-L62 HydrophobicContact CG1-CD2 3.91Å; D38-L62 WeakPolarHBondContact OD1-CD1 3.45Å; L41-L62 HydrophobicContact CD1-CD2 3.56Å; L41-L62 HydrophobicContact CD1-CG 3.8Å; L41-L62 HydrophobicContact CG-CD2 4.47Å; T58-L62 HydrophobicContact CG2-CD1 4.26Å; T58-L62 WeakPolarHBondContact O-CG 3.5Å; T58-L62 PolarHBondContact O-N 3.06Å; R59-L62 PolarHBondContact O-N 3.41Å; L62-E65 WeakPolarHBondContact O-CB 3.5Å; L62-E65 PolarHBondContact O-N 3.49Å; L62-V66 WeakPolarHBondContact O-CG2 3.43Å; L62-V66 PolarHBondContact O-N 2.98Å; L62-L78 HydrophobicContact CB-CD1 4.24Å; L62-L78 HydrophobicContact CD2-CD1 4.26Å
63K95.4Very high92.1Very high56 Ų5667.4 Ų67.424%0.24332%0.323CS..Hα-helixtrans-60.8-45.3177.5-179.2-175.2174.6-173.20111.9R59 A60 S61 E65 V66 E67 Y87 E90 L94R59-K63 WeakPolarHBondContact O-CB 3.46Å; R59-K63 PolarHBondContact O-N 3.27Å; A60-K63 PolarHBondContact O-N 2.99Å; S61-K63 VanDerWaalsContact C-N 3.35Å; S61-K63 PolarHBondContact O-N 3.28Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 2.89Å; K63-V66 PolarHBondContact O-N 3.39Å; K63-E67 WeakPolarHBondContact O-CB 3.31Å; K63-E67 PolarHBondContact O-N 2.87Å; K63-Y87 HydrophobicContact CB-CE2 4.17Å; K63-E90 HydrophobicContact CD-CB 4.49Å; K63-E90 IonicContact NZ-OE2 2.83Å; K63-E90 PolarHBondContact NZ-OE2 3.37Å; K63-L94 HydrophobicContact CG-CD1 4.06Å
64A94.5Very high91.9Very high30 Ų3063.9 Ų63.925%0.24831%0.308CS..Hα-helixtrans-62.8-38.7176.700000111.7A60 S61 E67 R68A60-A64 WeakPolarHBondContact O-CB 3.48Å; A60-A64 PolarHBondContact O-N 3.11Å; S61-A64 PolarHBondContact O-N 3.4Å; A64-E67 PolarHBondContact O-N 3.46Å; A64-R68 WeakPolarHBondContact O-CG 3.46Å; A64-R68 PolarHBondContact O-N 3.07Å
65E94.4Very high91.9Very high57 Ų5759.8 Ų59.827%0.26629%0.29SS..Hα-helixtrans-67.3-37.2177.6-165.868.3-172.300112.3V36 S61 L62 K63 R68 K69V36-E65 HydrophobicContact CG1-CB 3.9Å; V36-E65 HydrophobicContact CG1-CG 3.81Å; V36-E65 HydrophobicContact CG2-CG 4.2Å; S61-E65 WeakPolarHBondContact O-CB 3.29Å; S61-E65 PolarHBondContact O-N 3.46Å; L62-E65 WeakPolarHBondContact O-CB 3.5Å; L62-E65 PolarHBondContact O-N 3.49Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 2.89Å; E65-R68 IonicContact OE2-NH1 2.67Å; E65-R68 PolarHBondContact OE2-NH1 3.42Å; E65-K69 VanDerWaalsContact CG-NZ 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.44Å; E65-K69 IonicContact OE1-NZ 3.85Å; E65-K69 PolarHBondContact OE1-NZ 3.3Å
66V95Very high92Very high0 Ų059.5 Ų59.50%029%0.288CS..Hα-helixtrans-64.3-49.3169.6168.50000110.4L3 V36 L62 K63 R68 K69 V70 V76 L78 L94L3-V66 HydrophobicContact CD1-CG1 3.67Å; L3-V66 HydrophobicContact CD1-CG2 4.5Å; L3-V66 HydrophobicContact CD2-CG1 4.03Å; L3-V66 HydrophobicContact CG-CG1 4.48Å; V36-V66 HydrophobicContact CB-CG2 4.12Å; V36-V66 HydrophobicContact CG1-CG2 4.03Å; V36-V66 HydrophobicContact CG2-CG2 4.33Å; L62-V66 WeakPolarHBondContact O-CG2 3.43Å; L62-V66 PolarHBondContact O-N 2.98Å; K63-V66 PolarHBondContact O-N 3.39Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 2.88Å; V66-K69 PolarHBondContact O-N 3.11Å; V66-V70 HydrophobicContact CG1-CG2 3.59Å; V66-V70 VanDerWaalsContact O-CG2 3.3Å; V66-V70 WeakPolarHBondContact O-CG2 3.34Å; V66-V70 PolarHBondContact O-N 3.17Å; V66-V76 HydrophobicContact CG1-CG1 4.32Å; V66-V76 HydrophobicContact CG2-CG1 4.2Å; V66-L78 HydrophobicContact CG2-CB 4.22Å; V66-L78 HydrophobicContact CG2-CD1 3.89Å; V66-L78 HydrophobicContact CG2-CD2 4.33Å; V66-L78 HydrophobicContact CG2-CG 4.36Å; V66-L94 HydrophobicContact CG1-CD1 4.31Å; V66-L94 HydrophobicContact CG1-CD2 4.21Å
67E93.6Very high92.2Very high107 Ų10753.7 Ų53.750%0.526%0.263SS..Hα-helixtrans-55.2-42.4-178.2-170170.6-168.600112.5K63 A64 K69 L94K63-E67 WeakPolarHBondContact O-CB 3.31Å; K63-E67 PolarHBondContact O-N 2.87Å; A64-E67 PolarHBondContact O-N 3.46Å; E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 3.1Å; E67-L94 HydrophobicContact CB-CD1 3.68Å; E67-L94 HydrophobicContact CB-CG 4.47Å; E67-L94 HydrophobicContact CG-CD1 4.14Å; E67-L94 HydrophobicContact CG-CG 4.49Å
68R91.8Very high92.3Very high182 Ų18250.1 Ų50.169%0.68724%0.244SC*.Hα-helixtrans-63.8-29.8177-70.2172.3-168.7142.60.3113.6A64 E65 V66A64-R68 WeakPolarHBondContact O-CG 3.46Å; A64-R68 PolarHBondContact O-N 3.07Å; E65-R68 IonicContact OE2-NH1 2.67Å; E65-R68 PolarHBondContact OE2-NH1 3.42Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 2.88Å
69K92.7Very high92.4Very high46 Ų4650 Ų5020%0.224%0.243CC..Hα-helixtrans-98.7-23.7-173.8-66.7-169.1-178.473.50113.6H34 V36 E65 V66 E67 N71 N74 V76H34-K69 HydrophobicContact CB-CD 3.62Å; V36-K69 HydrophobicContact CG2-CD 4.07Å; E65-K69 VanDerWaalsContact CG-NZ 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.44Å; E65-K69 IonicContact OE1-NZ 3.85Å; E65-K69 PolarHBondContact OE1-NZ 3.3Å; V66-K69 PolarHBondContact O-N 3.11Å; E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 3.1Å; K69-N71 PolarHBondContact O-N 3.37Å; K69-N71 VanDerWaalsContact O-N 3.13Å; K69-N74 PolarHBondContact O-ND2 3.38Å; K69-V76 HydrophobicContact CB-CG2 3.68Å
70V88.4Confident92.5Very high14 Ų1447.6 Ų47.69%0.08524%0.235CC..  trans-71.9106.7178.6172.70000109L3 V66 V76 L94 A98 T100L3-V70 HydrophobicContact CB-CG2 4.45Å; L3-V70 HydrophobicContact CD1-CG2 4.47Å; V66-V70 HydrophobicContact CG1-CG2 3.59Å; V66-V70 VanDerWaalsContact O-CG2 3.3Å; V66-V70 WeakPolarHBondContact O-CG2 3.34Å; V66-V70 PolarHBondContact O-N 3.17Å; V70-V76 HydrophobicContact CG2-CB 4.06Å; V70-V76 HydrophobicContact CG2-CG1 4.5Å; V70-V76 HydrophobicContact CG2-CG2 3.83Å; V70-L94 HydrophobicContact CB-CD2 4.28Å; V70-L94 HydrophobicContact CG1-CD2 4.33Å; V70-L94 HydrophobicContact CG2-CD2 4.16Å; V70-A98 HydrophobicContact CG1-CB 3.7Å; V70-T100 HydrophobicContact CG1-CG2 3.75Å
71N82.5Confident92.5Very high60 Ų6045.2 Ų45.232%0.32122%0.215SC..SBendtrans-141.7-166.2175.464.934.3000110.1M1 K69 D73 N74M1-N71 WeakPolarHBondContact CA-O 3.38Å; M1-N71 WeakPolarHBondContact CB-O 3.5Å; M1-N71 PolarHBondContact N-O 3.31Å; K69-N71 PolarHBondContact O-N 3.37Å; K69-N71 VanDerWaalsContact O-N 3.13Å; N71-D73 VanDerWaalsContact C-N 3.35Å; N71-D73 PolarHBondContact OD1-N 3.28Å; N71-N74 PolarHBondContact ND2-ND2 2.93Å; N71-N74 WeakPolarHBondContact OD1-CB 3.46Å; N71-N74 PolarHBondContact OD1-N 2.91Å
72R76.7Confident92.6Very high179 Ų17942.5 Ų42.568%0.67520%0.195SC*.SBendtrans-82.7-5-178.6-72.2-173.4-179.1175.91.9114.8M1M1-R72 WeakPolarHBondContact CB-O 3.24Å; M1-R72 WeakPolarHBondContact CG-O 3.4Å
73D84.4Confident92.5Very high111 Ų11143 Ų4359%0.59420%0.197SC*.SBendtrans-121.1-18.8-172.2-53.9-55.7000112.6R31 N71R31-D73 WeakPolarHBondContact CB-O 3.3Å; R31-D73 VanDerWaalsContact CD-O 3.31Å; R31-D73 WeakPolarHBondContact CD-O 3.44Å; R31-D73 VanDerWaalsContact CG-O 3.29Å; R31-D73 WeakPolarHBondContact CG-O 3.34Å; N71-D73 VanDerWaalsContact C-N 3.35Å; N71-D73 PolarHBondContact OD1-N 3.28Å
74N91.1Very high92.5Very high22 Ų2242.1 Ų42.112%0.11820%0.195CC..  trans-103.7154.3-175.6-62.3-8.9000112.5M1 Q32 H34 K69 N71M1-N74 CarbonylContact C-O 3.6Å; M1-N74 WeakPolarHBondContact CB-O 3.39Å; Q32-N74 WeakPolarHBondContact O-CA 3.46Å; H34-N74 PolarHBondContact NE2-ND2 3.39Å; K69-N74 PolarHBondContact O-ND2 3.38Å; N71-N74 PolarHBondContact ND2-ND2 2.93Å; N71-N74 WeakPolarHBondContact OD1-CB 3.46Å; N71-N74 PolarHBondContact OD1-N 2.91Å
75I94.3Very high92.5Very high0 Ų044.5 Ų44.50%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4127.3168.1-60.7163.8000107.3P2 F25 R31 Q32 V33 H34 F171P2-I75 HydrophobicContact CG-CB 4.4Å; P2-I75 HydrophobicContact CG-CG1 3.92Å; P2-I75 HydrophobicContact CG-CG2 4.19Å; F25-I75 HydrophobicContact CB-CD1 3.92Å; F25-I75 HydrophobicContact CD1-CD1 4.09Å; F25-I75 HydrophobicContact CD2-CD1 4.42Å; F25-I75 HydrophobicContact CD2-CG2 3.91Å; F25-I75 HydrophobicContact CE2-CG2 4.14Å; F25-I75 HydrophobicContact CG-CD1 3.9Å; F25-I75 HydrophobicContact CG-CG2 4.47Å; R31-I75 HydrophobicContact CB-CD1 4.19Å; R31-I75 HydrophobicContact CB-CG1 4.48Å; Q32-I75 PolarHBondContact O-N 3.04Å; V33-I75 WeakPolarHBondContact CA-O 3.34Å; V33-I75 HydrophobicContact CG1-CB 4.25Å; V33-I75 HydrophobicContact CG1-CG2 4.16Å; V33-I75 HydrophobicContact CG2-CB 4.37Å; V33-I75 HydrophobicContact CG2-CD1 4.23Å; H34-I75 PolarHBondContact N-O 2.85Å; I75-F171 HydrophobicContact CD1-CE1 4.25Å; I75-F171 HydrophobicContact CD1-CZ 3.65Å; I75-F171 HydrophobicContact CG1-CE1 4.39Å; I75-F171 HydrophobicContact CG1-CZ 4.23Å
76V96.4Very high92.6Very high0 Ų043.8 Ų43.80%021%0.207CC..EExtended strand (participates in β ladder)trans-116.3126.4179.9-174.80000109.3P2 L3 V4 H34 V36 V66 K69 V70P2-V76 PolarHBondContact O-N 3.06Å; L3-V76 CarbonylContact C-O 3.49Å; L3-V76 WeakPolarHBondContact CA-O 3.38Å; L3-V76 HydrophobicContact CD1-CB 4.09Å; L3-V76 HydrophobicContact CD1-CG1 3.99Å; V4-V76 PolarHBondContact N-O 3.41Å; H34-V76 CarbonylContact O-C 3.4Å; H34-V76 WeakPolarHBondContact O-CA 3.2Å; V36-V76 HydrophobicContact CG2-CG1 4.04Å; V66-V76 HydrophobicContact CG1-CG1 4.32Å; V66-V76 HydrophobicContact CG2-CG1 4.2Å; K69-V76 HydrophobicContact CB-CG2 3.68Å; V70-V76 HydrophobicContact CG2-CB 4.06Å; V70-V76 HydrophobicContact CG2-CG1 4.5Å; V70-V76 HydrophobicContact CG2-CG2 3.83Å
77I97.1Very high92.7Very high0 Ų044 Ų440%021%0.208CC..EExtended strand (participates in β ladder)trans-111.3114.4174.6-54.8172.5000107.7V4 M6 A18 L21 K22 F25 V33 H34 I35 V36 D79V4-I77 HydrophobicContact CB-CB 4.48Å; V4-I77 HydrophobicContact CB-CG1 4.19Å; V4-I77 HydrophobicContact CB-CG2 4.36Å; V4-I77 HydrophobicContact CG1-CG2 4.46Å; V4-I77 HydrophobicContact CG2-CG1 4.42Å; V4-I77 CarbonylContact O-C 3.57Å; V4-I77 WeakPolarHBondContact O-CA 3.29Å; M6-I77 HydrophobicContact CG-CG2 4.08Å; M6-I77 HydrophobicContact SD-CG2 4.32Å; A18-I77 HydrophobicContact CB-CG2 3.78Å; L21-I77 HydrophobicContact CB-CD1 3.92Å; K22-I77 HydrophobicContact CB-CD1 4.1Å; F25-I77 HydrophobicContact CD2-CD1 4.37Å; V33-I77 HydrophobicContact CG1-CD1 4.02Å; V33-I77 HydrophobicContact CG1-CG1 4.49Å; H34-I77 PolarHBondContact O-N 2.87Å; I35-I77 CarbonylContact C-O 3.53Å; I35-I77 WeakPolarHBondContact CA-O 3.14Å; I35-I77 HydrophobicContact CG1-CB 4.21Å; I35-I77 HydrophobicContact CG1-CD1 4.41Å; V36-I77 PolarHBondContact N-O 3.03Å; I77-D79 PolarHBondContact O-N 3.05Å
78L97.3Very high92.8Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-89.298.4174.517961.9000109.7L3 V4 M6 V36 L62 V66 S80 N82 L91L3-L78 HydrophobicContact CD1-CB 4.32Å; V4-L78 PolarHBondContact O-N 2.76Å; M6-L78 WeakPolarHBondContact CB-O 3.49Å; M6-L78 PolarHBondContact N-O 3.31Å; V36-L78 HydrophobicContact CB-CD1 4.3Å; V36-L78 HydrophobicContact CG1-CD1 4.09Å; V36-L78 CarbonylContact O-C 3.6Å; V36-L78 WeakPolarHBondContact O-CA 3.5Å; L62-L78 HydrophobicContact CB-CD1 4.24Å; L62-L78 HydrophobicContact CD2-CD1 4.26Å; V66-L78 HydrophobicContact CG2-CB 4.22Å; V66-L78 HydrophobicContact CG2-CD1 3.89Å; V66-L78 HydrophobicContact CG2-CD2 4.33Å; V66-L78 HydrophobicContact CG2-CG 4.36Å; L78-S80 PolarHBondContact O-N 3.17Å; L78-N82 WeakPolarHBondContact CD2-OD1 3.34Å; L78-N82 PolarHBondContact O-ND2 3.37Å; L78-L91 HydrophobicContact CD2-CD1 3.44Å; L78-L91 VanDerWaalsContact CD2-CD1 3.44Å; L78-L91 HydrophobicContact CD2-CD2 3.72Å; L78-L91 HydrophobicContact CD2-CG 4.24Å
79D96.3Very high93Very high13 Ų1335.3 Ų35.37%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-91.283.2174-177.832.7000110.9K14 T15 A18 I35 V36 G37 I77K14-D79 WeakPolarHBondContact CB-OD1 3.31Å; T15-D79 VanDerWaalsContact CA-OD2 3.22Å; T15-D79 WeakPolarHBondContact CA-OD2 3.36Å; T15-D79 WeakPolarHBondContact CB-OD2 3.29Å; T15-D79 WeakPolarHBondContact CG2-OD2 3.39Å; T15-D79 PolarHBondContact N-OD1 2.84Å; T15-D79 PolarHBondContact OG1-OD1 3.03Å; T15-D79 PolarHBondContact OG1-OD2 3.19Å; A18-D79 HydrophobicContact CB-CB 4.03Å; I35-D79 HydrophobicContact CG2-CB 3.89Å; V36-D79 PolarHBondContact O-N 3.42Å; G37-D79 WeakPolarHBondContact CA-O 3.4Å; I77-D79 PolarHBondContact O-N 3.05Å
80S95.1Very high93.1Very high7 Ų737 Ų375%0.04918%0.18CC..SBendtrans-143.4179171.5-173.60000109.4K14 D38 L78 N82K14-S80 VanDerWaalsContact CD-O 3.26Å; K14-S80 WeakPolarHBondContact CD-O 3.35Å; K14-S80 VanDerWaalsContact CE-O 3.25Å; K14-S80 WeakPolarHBondContact CE-O 3.36Å; D38-S80 PolarHBondContact OD1-OG 3.38Å; D38-S80 WeakPolarHBondContact OD2-CA 3.4Å; D38-S80 VanDerWaalsContact OD2-CB 3.31Å; D38-S80 WeakPolarHBondContact OD2-CB 3.41Å; D38-S80 PolarHBondContact OD2-OG 3.15Å; L78-S80 PolarHBondContact O-N 3.17Å; S80-N82 VanDerWaalsContact C-N 3.32Å; S80-N82 PolarHBondContact O-N 2.94Å; S80-N82 PolarHBondContact O-ND2 3.01Å
81L94.6Very high93.4Very high6 Ų636.4 Ų36.43%0.03118%0.176CC..  trans-58.3-43.4179.8-65.3-177.9000112.5P10 Y49 Y83 L135P10-L81 HydrophobicContact CB-CD2 4.21Å; P10-L81 HydrophobicContact CG-CD2 4.09Å; Y49-L81 HydrophobicContact CD1-CD1 4.46Å; Y49-L81 HydrophobicContact CE1-CD1 3.72Å; Y49-L81 HydrophobicContact CE2-CD1 4.06Å; Y49-L81 VanDerWaalsContact CZ-CD1 3.48Å; Y49-L81 WeakPolarHBondContact OH-CD1 3.3Å; L81-Y83 HydrophobicContact CB-CD1 3.67Å; L81-Y83 HydrophobicContact CB-CG 4.32Å; L81-Y83 HydrophobicContact CD1-CD1 4.03Å; L81-Y83 HydrophobicContact CD1-CE1 4.32Å; L81-Y83 PolarHBondContact O-N 3.19Å; L81-L135 HydrophobicContact CD1-CD1 4.02Å; L81-L135 HydrophobicContact CD1-CD2 3.84Å; L81-L135 HydrophobicContact CD1-CG 4.5Å
82N96.4Very high93.9Very high2 Ų234.8 Ų34.81%0.01117%0.167CC..  trans44.438.2-176.8-59.9-47.6000112.8V5 M6 C7 L78 S80 Y87 R88V5-N82 HydrophobicContact CG1-CB 3.88Å; V5-N82 WeakPolarHBondContact CG1-ND2 3.33Å; M6-N82 WeakPolarHBondContact O-CB 3.21Å; M6-N82 PolarHBondContact O-ND2 2.91Å; C7-N82 PolarHBondContact SG-O 2.77Å; L78-N82 WeakPolarHBondContact CD2-OD1 3.34Å; L78-N82 PolarHBondContact O-ND2 3.37Å; S80-N82 VanDerWaalsContact C-N 3.32Å; S80-N82 PolarHBondContact O-N 2.94Å; S80-N82 PolarHBondContact O-ND2 3.01Å; N82-Y87 WeakPolarHBondContact OD1-CE1 3.22Å; N82-R88 HydrophobicContact CB-CG 4.41Å; N82-R88 WeakPolarHBondContact O-CD 3.37Å; N82-R88 WeakPolarHBondContact O-CG 3.44Å; N82-R88 PolarHBondContact O-NH1 3.35Å; N82-R88 VanDerWaalsContact O-NH1 3.12Å
83Y94.8Very high94.6Very high10 Ų1027.9 Ų27.94%0.03915%0.145CC..  trans-85.8-14.7-163.473.3-79.9000114.3E55 L81 R88 L135 R138 E140E55-Y83 WeakPolarHBondContact OE1-CE1 3.37Å; E55-Y83 VanDerWaalsContact OE1-CZ 3.28Å; E55-Y83 PolarHBondContact OE1-OH 2.66Å; E55-Y83 PolarHBondContact OE2-OH 2.99Å; E55-Y83 VanDerWaalsContact OE2-OH 3.12Å; L81-Y83 HydrophobicContact CB-CD1 3.67Å; L81-Y83 HydrophobicContact CB-CG 4.32Å; L81-Y83 HydrophobicContact CD1-CD1 4.03Å; L81-Y83 HydrophobicContact CD1-CE1 4.32Å; L81-Y83 PolarHBondContact O-N 3.19Å; Y83-R88 PolarHBondContact O-NH1 2.96Å; Y83-L135 HydrophobicContact CE1-CD2 4.05Å; Y83-L135 HydrophobicContact CE2-CD2 4.26Å; Y83-R138 HydrophobicContact CD2-CB 4.28Å; Y83-R138 HydrophobicContact CE2-CB 3.64Å; Y83-R138 PolarHBondContact OH-NH1 3.42Å; Y83-E140 PolarHBondContact O-N 2.95Å
84I95.3Very high94.9Very high39 Ų3923.3 Ų23.320%0.212%0.12CC..SBendtrans-102.3129.8179-54.6175.5000109.3G86 Y87 R88I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.14Å; I84-Y87 PolarHBondContact O-N 2.9Å; I84-Y87 VanDerWaalsContact O-N 3.12Å; I84-R88 PolarHBondContact O-N 2.84Å
85K95.3Very high94.8Very high80 Ų8022.2 Ų22.235%0.34812%0.115SC..Hα-helixtrans-55.1-43.2177.9178.2179.3177.2178.20112.6Y87 R88 Y89 E140 W148K85-Y87 VanDerWaalsContact C-N 3.27Å; K85-Y87 PolarHBondContact O-N 2.71Å; K85-R88 PolarHBondContact O-N 3.25Å; K85-Y89 PolarHBondContact O-N 3.24Å; K85-E140 WeakPolarHBondContact CA-OE2 3.2Å; K85-E140 HydrophobicContact CB-CB 4.3Å; K85-E140 WeakPolarHBondContact CB-OE2 3.36Å; K85-E140 PolarHBondContact N-OE2 2.93Å; K85-W148 HydrophobicContact CD-CH2 4.08Å; K85-W148 HydrophobicContact CG-CH2 3.52Å; K85-W148 HydrophobicContact CG-CZ3 4.05Å
86G95.6Very high94.5Very high41 Ų4124.1 Ų24.142%0.42312%0.123SC..Hα-helixtrans-57.4-40.4178.100000112.5I84 Y89 E90I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.14Å; G86-Y89 WeakPolarHBondContact O-CB 2.94Å; G86-Y89 PolarHBondContact O-N 2.67Å; G86-E90 PolarHBondContact O-N 2.83Å; G86-E90 VanDerWaalsContact O-N 3.12Å
87Y96.2Very high93.9Very high4 Ų429.8 Ų29.82%0.01615%0.149CC..Hα-helixtrans-71-40.1178.3-174.1-131000112.3R59 K63 N82 I84 K85 Y89 E90 L91R59-Y87 HydrophobicContact CB-CD2 4.1Å; R59-Y87 HydrophobicContact CB-CE1 4.33Å; R59-Y87 HydrophobicContact CB-CE2 3.76Å; R59-Y87 HydrophobicContact CG-CD1 4.18Å; R59-Y87 HydrophobicContact CG-CD2 4.41Å; R59-Y87 HydrophobicContact CG-CE1 4.04Å; R59-Y87 HydrophobicContact CG-CE2 4.31Å; R59-Y87 HydrophobicContact CG-CG 4.37Å; R59-Y87 PolarHBondContact O-OH 2.94Å; R59-Y87 VanDerWaalsContact O-OH 3.05Å; K63-Y87 HydrophobicContact CB-CE2 4.17Å; N82-Y87 WeakPolarHBondContact OD1-CE1 3.22Å; I84-Y87 PolarHBondContact O-N 2.9Å; I84-Y87 VanDerWaalsContact O-N 3.12Å; K85-Y87 VanDerWaalsContact C-N 3.27Å; K85-Y87 PolarHBondContact O-N 2.71Å; Y87-Y89 VanDerWaalsContact C-N 3.27Å; Y87-Y89 PolarHBondContact O-N 3.32Å; Y87-E90 WeakPolarHBondContact O-CB 3.47Å; Y87-E90 PolarHBondContact O-N 3.49Å; Y87-E90 VanDerWaalsContact O-N 3.14Å; Y87-L91 HydrophobicContact CD1-CD1 4.28Å; Y87-L91 HydrophobicContact CE1-CD1 4.06Å; Y87-L91 HydrophobicContact CE2-CG 4.45Å; Y87-L91 WeakPolarHBondContact O-CG 3.25Å; Y87-L91 PolarHBondContact O-N 3.13Å
88R96.6Very high93.4Very high4 Ų431.3 Ų31.32%0.01516%0.162CC..Hα-helixtrans-61-37.2173.2-63.1-166.9-59.4-95.84.5112N82 Y83 I84 K85 L91 F92 E140 D149N82-R88 HydrophobicContact CB-CG 4.41Å; N82-R88 WeakPolarHBondContact O-CD 3.37Å; N82-R88 WeakPolarHBondContact O-CG 3.44Å; N82-R88 PolarHBondContact O-NH1 3.35Å; N82-R88 VanDerWaalsContact O-NH1 3.12Å; Y83-R88 PolarHBondContact O-NH1 2.96Å; I84-R88 PolarHBondContact O-N 2.84Å; K85-R88 PolarHBondContact O-N 3.25Å; R88-L91 PolarHBondContact O-N 3.26Å; R88-F92 PolarHBondContact O-N 2.98Å; R88-E140 VanDerWaalsContact CZ-O 3.28Å; R88-E140 PolarHBondContact NH1-O 3.34Å; R88-E140 PolarHBondContact NH2-O 3.3Å; R88-D149 IonicContact CZ-OD1 3.27Å; R88-D149 IonicContact CZ-OD2 2.89Å; R88-D149 IonicContact NE-OD1 2.76Å; R88-D149 PolarHBondContact NE-OD1 3.4Å; R88-D149 IonicContact NE-OD2 3.41Å; R88-D149 IonicContact NH2-OD1 2.7Å; R88-D149 PolarHBondContact NH2-OD1 3.28Å; R88-D149 IonicContact NH2-OD2 3.84Å; R88-D149 PolarHBondContact NH2-OD2 2.88Å
89Y95Very high92.9Very high103 Ų10335.9 Ų35.940%0.40418%0.183SC..Hα-helixtrans-64-39.6173.7-176.8-106.2000112.8K85 G86 Y87 F92 C93 W148K85-Y89 PolarHBondContact O-N 3.24Å; G86-Y89 WeakPolarHBondContact O-CB 2.94Å; G86-Y89 PolarHBondContact O-N 2.67Å; Y87-Y89 VanDerWaalsContact C-N 3.27Å; Y87-Y89 PolarHBondContact O-N 3.32Å; Y89-F92 HydrophobicContact CD2-CD1 4.49Å; Y89-F92 HydrophobicContact CE2-CD1 4.45Å; Y89-F92 PolarHBondContact O-N 2.68Å; Y89-C93 VanDerWaalsContact CE1-SG 3.53Å; Y89-C93 PolarHBondContact O-N 3.37Å; Y89-C93 PolarHBondContact O-SG 3.36Å; Y89-W148 AromaticContact CD2-CD2 3.85Å; Y89-W148 HydrophobicContact CD2-CD2 3.85Å; Y89-W148 AromaticContact CD2-CE2 3.98Å; Y89-W148 AromaticContact CD2-CE3 3.89Å; Y89-W148 HydrophobicContact CD2-CE3 3.89Å; Y89-W148 HydrophobicContact CD2-CG 4.42Å; Y89-W148 HydrophobicContact CD2-CH2 4.15Å; Y89-W148 HydrophobicContact CD2-CZ2 4.14Å; Y89-W148 HydrophobicContact CD2-CZ3 4.06Å; Y89-W148 HydrophobicContact CG-CH2 4.45Å; Y89-W148 HydrophobicContact CG-CZ3 4.35Å
90E95Very high92.4Very high83 Ų8335.3 Ų35.339%0.38818%0.18SC..Hα-helixtrans-62.7-42.5174.3-72.4-173.6-148.900112.3K63 G86 Y87 F92 C93 L94K63-E90 HydrophobicContact CD-CB 4.49Å; K63-E90 IonicContact NZ-OE2 2.83Å; K63-E90 PolarHBondContact NZ-OE2 3.37Å; G86-E90 PolarHBondContact O-N 2.83Å; G86-E90 VanDerWaalsContact O-N 3.12Å; Y87-E90 WeakPolarHBondContact O-CB 3.47Å; Y87-E90 PolarHBondContact O-N 3.49Å; Y87-E90 VanDerWaalsContact O-N 3.14Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-C93 WeakPolarHBondContact O-CB 3.37Å; E90-C93 PolarHBondContact O-N 3.41Å; E90-L94 PolarHBondContact O-N 3.33Å
91L95Very high92.1Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-63-41.9174.8-66.6167.9000111.1L3 V5 L78 Y87 R88 C93 L94 T95L3-L91 HydrophobicContact CD2-CB 4.43Å; V5-L91 HydrophobicContact CG1-CD1 4.01Å; V5-L91 HydrophobicContact CG2-CD1 4.2Å; L78-L91 HydrophobicContact CD2-CD1 3.44Å; L78-L91 VanDerWaalsContact CD2-CD1 3.44Å; L78-L91 HydrophobicContact CD2-CD2 3.72Å; L78-L91 HydrophobicContact CD2-CG 4.24Å; Y87-L91 HydrophobicContact CD1-CD1 4.28Å; Y87-L91 HydrophobicContact CE1-CD1 4.06Å; Y87-L91 HydrophobicContact CE2-CG 4.45Å; Y87-L91 WeakPolarHBondContact O-CG 3.25Å; Y87-L91 PolarHBondContact O-N 3.13Å; R88-L91 PolarHBondContact O-N 3.26Å; L91-C93 VanDerWaalsContact C-N 3.35Å; L91-C93 PolarHBondContact O-N 3.45Å; L91-L94 WeakPolarHBondContact O-CB 3.46Å; L91-L94 PolarHBondContact O-N 3.16Å; L91-T95 WeakPolarHBondContact O-CG2 3.31Å; L91-T95 PolarHBondContact O-N 2.87Å
92F92.8Very high91.9Very high27 Ų2736.9 Ų36.912%0.11819%0.188CC..Hα-helixtrans-61.1-42.7173.9175.7-110.6000112.2R88 Y89 E90 L94 T95 K96 W148 P176R88-F92 PolarHBondContact O-N 2.98Å; Y89-F92 HydrophobicContact CD2-CD1 4.49Å; Y89-F92 HydrophobicContact CE2-CD1 4.45Å; Y89-F92 PolarHBondContact O-N 2.68Å; E90-F92 VanDerWaalsContact C-N 3.35Å; F92-L94 VanDerWaalsContact C-N 3.29Å; F92-L94 PolarHBondContact O-N 3.11Å; F92-T95 PolarHBondContact O-N 3.43Å; F92-T95 VanDerWaalsContact O-N 3.16Å; F92-T95 PolarHBondContact O-OG1 2.9Å; F92-K96 HydrophobicContact CD1-CD 4.23Å; F92-K96 HydrophobicContact CE1-CD 3.69Å; F92-K96 HydrophobicContact CE1-CG 4.22Å; F92-K96 HydrophobicContact CE2-CG 4.47Å; F92-K96 HydrophobicContact CZ-CD 4Å; F92-K96 VanDerWaalsContact CZ-CE 3.45Å; F92-K96 HydrophobicContact CZ-CG 4.12Å; F92-K96 PolarHBondContact O-N 3.09Å; F92-W148 HydrophobicContact CB-CB 4.4Å; F92-W148 HydrophobicContact CD1-CB 3.42Å; F92-W148 VanDerWaalsContact CD1-CB 3.42Å; F92-W148 HydrophobicContact CD1-CG 4.19Å; F92-W148 HydrophobicContact CD2-CB 3.87Å; F92-W148 HydrophobicContact CE1-CB 3.41Å; F92-W148 VanDerWaalsContact CE1-CB 3.41Å; F92-W148 HydrophobicContact CE1-CG 4.26Å; F92-W148 HydrophobicContact CE2-CB 3.89Å; F92-W148 HydrophobicContact CG-CB 3.63Å; F92-W148 HydrophobicContact CZ-CB 3.65Å; F92-P176 HydrophobicContact CE2-CB 4.37Å; F92-P176 HydrophobicContact CE2-CG 4.41Å; F92-P176 HydrophobicContact CZ-CB 4.45Å
93C91.4Very high91.7Very high33 Ų3336.8 Ų36.822%0.22319%0.187CC..Hα-helixtrans-59.3-39.6174.5-70.40000112.3Y89 E90 L91 K96 H97Y89-C93 VanDerWaalsContact CE1-SG 3.53Å; Y89-C93 PolarHBondContact O-N 3.37Å; Y89-C93 PolarHBondContact O-SG 3.36Å; E90-C93 WeakPolarHBondContact O-CB 3.37Å; E90-C93 PolarHBondContact O-N 3.41Å; L91-C93 VanDerWaalsContact C-N 3.35Å; L91-C93 PolarHBondContact O-N 3.45Å; C93-K96 WeakPolarHBondContact O-CB 3.29Å; C93-K96 PolarHBondContact O-N 2.91Å; C93-H97 PolarHBondContact O-N 2.91Å
94L90.6Very high91.7Very high15 Ų1536.3 Ų36.38%0.07919%0.186CC..Hα-helixtrans-60.4-45.4174.1179.8160.9000111.2K63 V66 E67 V70 E90 L91 F92 K96 H97 A98K63-L94 HydrophobicContact CG-CD1 4.06Å; V66-L94 HydrophobicContact CG1-CD1 4.31Å; V66-L94 HydrophobicContact CG1-CD2 4.21Å; E67-L94 HydrophobicContact CB-CD1 3.68Å; E67-L94 HydrophobicContact CB-CG 4.47Å; E67-L94 HydrophobicContact CG-CD1 4.14Å; E67-L94 HydrophobicContact CG-CG 4.49Å; V70-L94 HydrophobicContact CB-CD2 4.28Å; V70-L94 HydrophobicContact CG1-CD2 4.33Å; V70-L94 HydrophobicContact CG2-CD2 4.16Å; E90-L94 PolarHBondContact O-N 3.33Å; L91-L94 WeakPolarHBondContact O-CB 3.46Å; L91-L94 PolarHBondContact O-N 3.16Å; F92-L94 VanDerWaalsContact C-N 3.29Å; F92-L94 PolarHBondContact O-N 3.11Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.26Å; L94-H97 WeakPolarHBondContact O-CB 3.48Å; L94-H97 PolarHBondContact O-N 3.47Å; L94-H97 VanDerWaalsContact O-N 3.16Å; L94-A98 WeakPolarHBondContact O-CB 3.5Å; L94-A98 PolarHBondContact O-N 3.48Å
95T89.2Confident91.8Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-66.2-32.8178.365.20000113.1L3 L91 F92 Q99 T100 H102L3-T95 HydrophobicContact CB-CG2 3.7Å; L3-T95 HydrophobicContact CD2-CG2 3.5Å; L3-T95 HydrophobicContact CG-CG2 4.21Å; L91-T95 WeakPolarHBondContact O-CG2 3.31Å; L91-T95 PolarHBondContact O-N 2.87Å; F92-T95 PolarHBondContact O-N 3.43Å; F92-T95 VanDerWaalsContact O-N 3.16Å; F92-T95 PolarHBondContact O-OG1 2.9Å; T95-Q99 WeakPolarHBondContact O-CA 3.44Å; T95-Q99 PolarHBondContact O-N 2.86Å; T95-T100 PolarHBondContact O-N 2.88Å; T95-H102 HydrophobicContact CG2-CB 4Å
96K87.6Confident91.8Very high39 Ų3931.6 Ų31.617%0.1716%0.164CC..Hα-helixtrans-63.6-44.5170.6-82.3179.8155.7-172.70112.2F92 C93 L94 Q99 P176 N179F92-K96 HydrophobicContact CD1-CD 4.23Å; F92-K96 HydrophobicContact CE1-CD 3.69Å; F92-K96 HydrophobicContact CE1-CG 4.22Å; F92-K96 HydrophobicContact CE2-CG 4.47Å; F92-K96 HydrophobicContact CZ-CD 4Å; F92-K96 VanDerWaalsContact CZ-CE 3.45Å; F92-K96 HydrophobicContact CZ-CG 4.12Å; F92-K96 PolarHBondContact O-N 3.09Å; C93-K96 WeakPolarHBondContact O-CB 3.29Å; C93-K96 PolarHBondContact O-N 2.91Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.26Å; K96-Q99 PolarHBondContact O-N 3.03Å; K96-P176 HydrophobicContact CG-CB 3.88Å; K96-P176 HydrophobicContact CG-CG 3.89Å; K96-N179 PolarHBondContact NZ-OD1 2.92Å
97H85.4Confident91.9Very high120 Ų12029.8 Ų29.856%0.55615%0.145SC*.Hα-helixtrans-62.2-46.7177.2176.3-97000111C93 L94 Q99C93-H97 PolarHBondContact O-N 2.91Å; L94-H97 WeakPolarHBondContact O-CB 3.48Å; L94-H97 PolarHBondContact O-N 3.47Å; L94-H97 VanDerWaalsContact O-N 3.16Å; H97-Q99 PolarHBondContact O-N 3.04Å
98A85.2Confident91.8Very high31 Ų3133.2 Ų33.226%0.25616%0.163SC..THydrogen-bonded Turntrans-74.8-5.317800000113.9V70 L94 T100V70-A98 HydrophobicContact CG1-CB 3.7Å; L94-A98 WeakPolarHBondContact O-CB 3.5Å; L94-A98 PolarHBondContact O-N 3.48Å; A98-T100 VanDerWaalsContact C-N 3.27Å; A98-T100 HydrophobicContact CB-CG2 3.77Å; A98-T100 WeakPolarHBondContact O-CG2 3.42Å; A98-T100 PolarHBondContact O-N 2.8Å
99Q86.6Confident91.8Very high96 Ų9633.7 Ų33.745%0.44917%0.166SC..THydrogen-bonded Turntrans53.543.2-176.1-56.6179.5-34.300112.5T95 K96 H97 A175 P178T95-Q99 WeakPolarHBondContact O-CA 3.44Å; T95-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 PolarHBondContact O-N 3.03Å; H97-Q99 PolarHBondContact O-N 3.04Å; Q99-A175 VanDerWaalsContact O-CB 3.22Å; Q99-A175 WeakPolarHBondContact O-CB 2.82Å; Q99-P178 HydrophobicContact CG-CB 4.32Å
100T87.4Confident91.9Very high1 Ų130.7 Ų30.71%0.00616%0.161CC..  trans-115.4147.2-176.967.50000111.7M1 V70 T95 A98 P176M1-T100 WeakPolarHBondContact O-CB 3.36Å; M1-T100 VanDerWaalsContact O-CG2 3.24Å; M1-T100 WeakPolarHBondContact O-CG2 3.42Å; V70-T100 HydrophobicContact CG1-CG2 3.75Å; T95-T100 PolarHBondContact O-N 2.88Å; A98-T100 VanDerWaalsContact C-N 3.27Å; A98-T100 HydrophobicContact CB-CG2 3.77Å; A98-T100 WeakPolarHBondContact O-CG2 3.42Å; A98-T100 PolarHBondContact O-N 2.8Å; T100-P176 VanDerWaalsContact O-CD 3.27Å; T100-P176 WeakPolarHBondContact O-CD 3.07Å
101P89.1Confident91.9Very high18 Ų1828.6 Ų28.612%0.11716%0.155CC..  trans-60.3149.2168.6-25.738.1000111.7P2 L3 L170 A175P2-P101 WeakPolarHBondContact CA-O 3.34Å; L3-P101 PolarHBondContact N-O 3.18Å; P101-L170 WeakPolarHBondContact CG-O 3.46Å; P101-A175 HydrophobicContact CG-CB 4.37Å
102H89.8Confident92Very high28 Ų2834.7 Ų34.713%0.1318%0.183CC..EExtended strand (participates in β ladder)trans-125.8138.2179164-99.4000108.6L3 V5 T95L3-H102 CarbonylContact O-C 3.15Å; L3-H102 WeakPolarHBondContact O-CA 3.48Å; V5-H102 WeakPolarHBondContact CG2-NE2 3.34Å; T95-H102 HydrophobicContact CG2-CB 4Å
103C91.9Very high92.2Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-132.9122.8172.9176.10000111.5L3 V4 V5 L152 F153 L170L3-C103 PolarHBondContact O-N 2.92Å; V4-C103 CarbonylContact C-O 3.49Å; V4-C103 WeakPolarHBondContact CA-O 3.49Å; V5-C103 PolarHBondContact N-O 2.92Å; C103-L152 HydrophobicContact CB-CD1 4.06Å; C103-F153 WeakPolarHBondContact SG-CD2 3.44Å; C103-F153 VanDerWaalsContact SG-CE2 3.52Å; C103-L170 HydrophobicContact CB-CD2 3.46Å; C103-L170 VanDerWaalsContact CB-CD2 3.46Å; C103-L170 HydrophobicContact CB-CG 4.45Å
104L95.1Very high92.5Very high1 Ų134.8 Ų34.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-95.3120.5172.8-17663.9000109.6V5 C7 P142 D149 L152 F153V5-L104 HydrophobicContact CB-CD1 3.92Å; V5-L104 HydrophobicContact CG1-CD1 3.76Å; C7-L104 HydrophobicContact CB-CD1 3.74Å; L104-P142 HydrophobicContact CD2-CB 3.7Å; L104-P142 HydrophobicContact CD2-CG 3.85Å; L104-D149 WeakPolarHBondContact CD2-O 3.36Å; L104-L152 PolarHBondContact O-N 3.16Å; L104-F153 PolarHBondContact O-N 2.66Å
105V96.1Very high92.8Very high3 Ų334.7 Ų34.72%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-109.6113.9175.5-178.70000108.3V4 V5 M6 C7 F153 V155 V166V4-V105 HydrophobicContact CG1-CG2 3.88Å; V5-V105 PolarHBondContact O-N 3.05Å; M6-V105 CarbonylContact C-O 3.57Å; M6-V105 HydrophobicContact CE-CB 4.19Å; M6-V105 HydrophobicContact CE-CG1 3.95Å; M6-V105 HydrophobicContact SD-CB 3.96Å; M6-V105 HydrophobicContact SD-CG1 4.34Å; M6-V105 HydrophobicContact SD-CG2 4.45Å; C7-V105 PolarHBondContact N-O 2.87Å; V105-F153 WeakPolarHBondContact CA-O 3.4Å; V105-F153 HydrophobicContact CG1-CB 4.48Å; V105-F153 HydrophobicContact CG2-CB 4.46Å; V105-F153 HydrophobicContact CG2-CD2 4.33Å; V105-V155 HydrophobicContact CG1-CG2 3.93Å; V105-V166 HydrophobicContact CG2-CG2 4.33Å
106H96.7Very high93.2Very high17 Ų1739.2 Ų39.28%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-96.2109179.4-179.1-154000110.3C7 L108 F139 P142 P151 F153 T154 V155C7-H106 CarbonylContact O-C 3.53Å; C7-H106 WeakPolarHBondContact O-CA 3.41Å; H106-L108 PolarHBondContact O-N 3.01Å; H106-F139 AromaticContact NE2-CE1 3.99Å; H106-F139 AromaticContact NE2-CZ 3.59Å; H106-P142 HydrophobicContact CB-CG 4.27Å; H106-P151 HydrophobicContact CB-CB 3.88Å; H106-F153 PolarHBondContact N-O 3.33Å; H106-T154 CarbonylContact O-C 3.54Å; H106-T154 WeakPolarHBondContact O-CA 3.32Å; H106-V155 PolarHBondContact O-N 3.02Å
107C96.4Very high93.6Very high3 Ų340.8 Ų40.82%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-79.796.9169.9-62.60000108.9C7 S12 K14 V155C7-C107 PolarHBondContact O-N 3.31Å; S12-C107 WeakPolarHBondContact O-CB 3.35Å; S12-C107 PolarHBondContact OG-O 3.39Å; K14-C107 HydrophobicContact CG-CB 4.01Å; C107-V155 WeakPolarHBondContact CA-O 3.36Å
108L95.4Very high94.2Very high76 Ų7635.1 Ų35.140%0.39818%0.184SC..  trans-87.9124.9-176.2178.866.3000110.2H106 T154 V155 L156H106-L108 PolarHBondContact O-N 3.01Å; L108-T154 HydrophobicContact CB-CG2 3.63Å; L108-T154 HydrophobicContact CD2-CG2 3.82Å; L108-T154 HydrophobicContact CG-CG2 4.36Å; L108-V155 PolarHBondContact N-O 2.79Å; L108-L156 HydrophobicContact CD2-CD2 4.21Å
109T95.9Very high94.7Very high13 Ų1339.5 Ų39.58%0.0820%0.197CC..  trans-148.8156.6-179.9530000109.1Y9 S12 S114 W117Y9-T109 WeakPolarHBondContact CD2-O 3.47Å; Y9-T109 WeakPolarHBondContact CE2-O 3.43Å; S12-T109 VanDerWaalsContact CB-OG1 3.26Å; S12-T109 WeakPolarHBondContact CB-OG1 3.36Å; T109-S114 PolarHBondContact OG1-OG 2.59Å; T109-W117 HydrophobicContact CG2-CH2 4.15Å; T109-W117 HydrophobicContact CG2-CZ3 3.74Å
110S96.7Very high95.1Very high41 Ų4140.7 Ų40.729%0.28721%0.207SC..  trans-72.3160.1170.698.60000111.6E112 E113 S114S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 WeakPolarHBondContact CB-OE2 3.24Å; S110-E112 PolarHBondContact O-N 3.26Å; S110-E112 PolarHBondContact OG-N 2.85Å; S110-E112 PolarHBondContact OG-OE2 2.9Å; S110-E113 PolarHBondContact OG-N 2.9Å; S110-E113 VanDerWaalsContact OG-N 3.1Å; S110-S114 WeakPolarHBondContact O-CB 3.16Å; S110-S114 PolarHBondContact O-N 3.3Å; S110-S114 VanDerWaalsContact O-N 3.08Å; S110-S114 PolarHBondContact O-OG 3.07Å
111S96.5Very high95.3Very high38 Ų3843.7 Ų43.727%0.26622%0.218SC..Hα-helixtrans-60.6-38.8172.731.20000111.8S114 S115S111-S114 PolarHBondContact O-N 3.22Å; S111-S115 VanDerWaalsContact O-CB 3.32Å; S111-S115 WeakPolarHBondContact O-CB 3.27Å; S111-S115 PolarHBondContact O-N 3.24Å
112E97.1Very high95.4Very high128 Ų12850 Ų5060%0.59825%0.246SC*.Hα-helixtrans-67.1-46.4-178.5-56.367.3-137.800110.5S110 S115 L116S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 WeakPolarHBondContact CB-OE2 3.24Å; S110-E112 PolarHBondContact O-N 3.26Å; S110-E112 PolarHBondContact OG-N 2.85Å; S110-E112 PolarHBondContact OG-OE2 2.9Å; E112-S115 PolarHBondContact O-N 3.31Å; E112-L116 WeakPolarHBondContact O-CB 3.49Å; E112-L116 PolarHBondContact O-N 3.31Å
113E96.7Very high95.4Very high62 Ų6252.6 Ų52.629%0.2927%0.273SS..Hα-helixtrans-62.6-45.6176.6-70.8-171.3114.800111.6S110 S115 L116 W117 K157S110-E113 PolarHBondContact OG-N 2.9Å; S110-E113 VanDerWaalsContact OG-N 3.1Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3Å; E113-W117 WeakPolarHBondContact O-CB 3.42Å; E113-W117 VanDerWaalsContact O-CG 3.3Å; E113-W117 PolarHBondContact O-N 2.94Å; E113-K157 VanDerWaalsContact OE1-CD 3.31Å; E113-K157 WeakPolarHBondContact OE1-CD 3.05Å; E113-K157 IonicContact OE1-NZ 3.43Å; E113-K157 PolarHBondContact OE1-NZ 2.87Å
114S96.9Very high95.2Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-63.4-38.1177.8-75.90000112.4P10 C11 T109 S110 S111 N118P10-S114 WeakPolarHBondContact O-CB 3.5Å; P10-S114 PolarHBondContact O-OG 3.45Å; C11-S114 WeakPolarHBondContact CB-O 3.39Å; T109-S114 PolarHBondContact OG1-OG 2.59Å; S110-S114 WeakPolarHBondContact O-CB 3.16Å; S110-S114 PolarHBondContact O-N 3.3Å; S110-S114 VanDerWaalsContact O-N 3.08Å; S110-S114 PolarHBondContact O-OG 3.07Å; S111-S114 PolarHBondContact O-N 3.22Å; S114-N118 WeakPolarHBondContact O-CB 3.47Å; S114-N118 PolarHBondContact O-N 3.21Å
115S97.6Very high94.9Very high13 Ų1360.3 Ų60.39%0.09133%0.325CS..Hα-helixtrans-67.7-41.3174.7177.90000111.4S111 E112 E113 N118 K119 Q129 F132S111-S115 VanDerWaalsContact O-CB 3.32Å; S111-S115 WeakPolarHBondContact O-CB 3.27Å; S111-S115 PolarHBondContact O-N 3.24Å; E112-S115 PolarHBondContact O-N 3.31Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.16Å; S115-N118 VanDerWaalsContact O-CB 3.31Å; S115-N118 WeakPolarHBondContact O-CB 3.44Å; S115-N118 PolarHBondContact O-N 3.41Å; S115-K119 WeakPolarHBondContact O-CG 3.3Å; S115-K119 PolarHBondContact O-N 2.93Å; S115-Q129 PolarHBondContact OG-OE1 3.13Å; S115-F132 VanDerWaalsContact N-CZ 3.29Å
116L97.4Very high94.8Very high96 Ų9662.8 Ų62.850%0.50334%0.337SS..Hα-helixtrans-61.5-45.9175.2179.462.8000111.2E112 E113 N118 K119 N120E112-L116 WeakPolarHBondContact O-CB 3.49Å; E112-L116 PolarHBondContact O-N 3.31Å; E113-L116 PolarHBondContact O-N 3Å; L116-N118 VanDerWaalsContact C-N 3.27Å; L116-N118 PolarHBondContact O-N 2.89Å; L116-K119 PolarHBondContact O-N 3.24Å; L116-N120 PolarHBondContact O-N 3.03Å; L116-N120 VanDerWaalsContact O-N 3.15Å; L116-N120 PolarHBondContact O-ND2 3.45Å
117W96.4Very high94.7Very high71 Ų7162.5 Ų62.527%0.26934%0.335SS..Hα-helixtrans-63.8-33.4175.1-69.5-11.3000112.8C11 T109 E113 N120 R121 K157C11-W117 HydrophobicContact CB-CB 4.31Å; T109-W117 HydrophobicContact CG2-CH2 4.15Å; T109-W117 HydrophobicContact CG2-CZ3 3.74Å; E113-W117 WeakPolarHBondContact O-CB 3.42Å; E113-W117 VanDerWaalsContact O-CG 3.3Å; E113-W117 PolarHBondContact O-N 2.94Å; W117-N120 PolarHBondContact O-N 3.45Å; W117-R121 WeakPolarHBondContact O-CG 3.29Å; W117-K157 HydrophobicContact CH2-CB 4.04Å; W117-K157 HydrophobicContact CH2-CD 3.97Å; W117-K157 HydrophobicContact CH2-CG 3.72Å; W117-K157 HydrophobicContact CZ2-CB 4.42Å; W117-K157 HydrophobicContact CZ2-CD 3.53Å; W117-K157 HydrophobicContact CZ2-CG 3.65Å
118N96.7Very high94.7Very high2 Ų264.7 Ų64.71%0.01135%0.35CS..Hα-helixtrans-61.7-47.7171.9-171.348.9000111.5C11 S114 S115 L116 N120 R121 Q126 Y127 F132C11-N118 HydrophobicContact CB-CB 4.39Å; C11-N118 PolarHBondContact SG-OD1 3.07Å; C11-N118 VanDerWaalsContact SG-OD1 3.4Å; S114-N118 WeakPolarHBondContact O-CB 3.47Å; S114-N118 PolarHBondContact O-N 3.21Å; S115-N118 VanDerWaalsContact O-CB 3.31Å; S115-N118 WeakPolarHBondContact O-CB 3.44Å; S115-N118 PolarHBondContact O-N 3.41Å; L116-N118 VanDerWaalsContact C-N 3.27Å; L116-N118 PolarHBondContact O-N 2.89Å; N118-N120 PolarHBondContact O-N 3.09Å; N118-R121 WeakPolarHBondContact O-CB 3.33Å; N118-R121 PolarHBondContact O-N 2.91Å; N118-Q126 WeakPolarHBondContact O-CG 3.45Å; N118-Y127 PolarHBondContact ND2-O 2.8Å; N118-Y127 PolarHBondContact OD1-N 2.92Å; N118-F132 HydrophobicContact CB-CD2 4.38Å
119K96.2Very high94.7Very high122 Ų12264.4 Ų64.453%0.5335%0.347SS..Hα-helixtrans-63.6-27.2-179.5-70170.3-176.1173.60113.7S115 L116 R121 Q126S115-K119 WeakPolarHBondContact O-CG 3.3Å; S115-K119 PolarHBondContact O-N 2.93Å; L116-K119 PolarHBondContact O-N 3.24Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-Q126 PolarHBondContact O-NE2 3.22Å; K119-Q126 VanDerWaalsContact O-NE2 3.11Å
120N95.7Very high94.8Very high121 Ų12170 Ų7065%0.64738%0.377SS*.THydrogen-bonded Turntrans-86.2-0179.8-66.7-18.5000113.9L116 W117 N118L116-N120 PolarHBondContact O-N 3.03Å; L116-N120 VanDerWaalsContact O-N 3.15Å; L116-N120 PolarHBondContact O-ND2 3.45Å; W117-N120 PolarHBondContact O-N 3.45Å; N118-N120 PolarHBondContact O-N 3.09Å
121R91.4Very high94.8Very high64 Ų6469.2 Ų69.224%0.24237%0.369CS..SBendtrans-82.3163.8175.9-74169.5174.4-161.4-9.7111.7C11 W117 N118 K119 A123 Q126C11-R121 PolarHBondContact SG-NH1 2.82Å; W117-R121 WeakPolarHBondContact O-CG 3.29Å; N118-R121 WeakPolarHBondContact O-CB 3.33Å; N118-R121 PolarHBondContact O-N 2.91Å; K119-R121 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-Q126 HydrophobicContact CB-CG 4.04Å; R121-Q126 PolarHBondContact O-NE2 3.19Å
122E91.7Very high94.9Very high151 Ų15167.4 Ų67.471%0.70636%0.356SS*.  trans-53.1135.9164.8-68.5-61.2151.200110.7A124 E125 Q126E122-A124 PolarHBondContact O-N 3.44Å; E122-E125 PolarHBondContact O-N 2.88Å; E122-Q126 WeakPolarHBondContact O-CG 3.29Å; E122-Q126 PolarHBondContact O-N 3.5Å
123A89.4Confident94.9Very high83 Ų8364.4 Ų64.469%0.68634%0.344SS*.G310 helixtrans-52.9-36.2-173.300000113.2R121 E125 Q126R121-A123 PolarHBondContact O-N 2.95Å; A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 2.98Å; A123-Q126 PolarHBondContact O-N 2.96Å
124A87.5Confident95Very high98 Ų9863 Ų6381%0.8134%0.343SS*.G310 helixtrans-69.5-20.717800000114.2E122E122-A124 PolarHBondContact O-N 3.44Å
125E87.9Confident95Very high64 Ų6463.1 Ų63.130%0.29934%0.344SS..G310 helixtrans-100.4-4.8179.1-68.6-151.7115.200113.5R39 R45 E122 A123R39-E125 IonicContact CZ-OE1 2.89Å; R39-E125 IonicContact CZ-OE2 2.59Å; R39-E125 IonicContact NE-OE1 3.62Å; R39-E125 PolarHBondContact NE-OE1 3.03Å; R39-E125 VanDerWaalsContact NH2-CD 3.33Å; R39-E125 IonicContact NH2-OE1 3.59Å; R39-E125 PolarHBondContact NH2-OE1 3.17Å; R39-E125 IonicContact NH2-OE2 2.75Å; R39-E125 PolarHBondContact NH2-OE2 3.32Å; R45-E125 PolarHBondContact NH1-O 3.49Å; E122-E125 PolarHBondContact O-N 2.88Å; A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 2.98Å
126Q93.7Very high95Very high55 Ų5563.6 Ų63.626%0.25735%0.346SS..PPolyproline II helixtrans-73.9141.7-179.7-60-168.95.800111.4N46 N118 K119 R121 E122 A123N46-Q126 PolarHBondContact ND2-O 3.32Å; N118-Q126 WeakPolarHBondContact O-CG 3.45Å; K119-Q126 PolarHBondContact O-NE2 3.22Å; K119-Q126 VanDerWaalsContact O-NE2 3.11Å; R121-Q126 HydrophobicContact CB-CG 4.04Å; R121-Q126 PolarHBondContact O-NE2 3.19Å; E122-Q126 WeakPolarHBondContact O-CG 3.29Å; E122-Q126 PolarHBondContact O-N 3.5Å; A123-Q126 PolarHBondContact O-N 2.96Å
127Y95.1Very high95Very high11 Ų1167 Ų674%0.04336%0.36CS..PPolyproline II helixtrans-75140.4158.4-63.6-95.6000108.4P10 R45 N46 Y49 N118 I131 L135P10-Y127 HydrophobicContact CB-CD2 4.05Å; P10-Y127 HydrophobicContact CB-CE1 4.43Å; P10-Y127 HydrophobicContact CB-CE2 3.83Å; P10-Y127 HydrophobicContact CB-CG 4.46Å; R45-Y127 HydrophobicContact CB-CD1 4.14Å; R45-Y127 HydrophobicContact CB-CE1 3.79Å; R45-Y127 HydrophobicContact CG-CE1 4.21Å; N46-Y127 WeakPolarHBondContact OD1-CA 3.45Å; Y49-Y127 HydrophobicContact CD2-CD1 4.29Å; Y49-Y127 AromaticContact CD2-CE1 3.63Å; Y49-Y127 HydrophobicContact CD2-CE1 3.63Å; Y49-Y127 AromaticContact CE2-CE1 3.65Å; Y49-Y127 HydrophobicContact CE2-CE1 3.65Å; N118-Y127 PolarHBondContact ND2-O 2.8Å; N118-Y127 PolarHBondContact OD1-N 2.92Å; Y127-I131 HydrophobicContact CD1-CG2 3.97Å; Y127-L135 HydrophobicContact CD1-CD1 3.85Å; Y127-L135 HydrophobicContact CE1-CD1 3.73Å
128S96.5Very high95Very high50 Ų5068 Ų6835%0.3536%0.363SS..PPolyproline II helixtrans-61.2151.8164.373.80000109.1N46 D130 I131 F132N46-S128 PolarHBondContact OD1-N 2.79Å; S128-D130 VanDerWaalsContact C-N 3.28Å; S128-D130 PolarHBondContact O-N 2.88Å; S128-I131 PolarHBondContact O-N 2.74Å; S128-I131 WeakPolarHBondContact OG-CB 3.36Å; S128-I131 WeakPolarHBondContact OG-CG1 3.22Å; S128-I131 PolarHBondContact OG-N 3.39Å; S128-F132 WeakPolarHBondContact O-CB 3.37Å; S128-F132 PolarHBondContact O-N 2.84Å
129Q95.9Very high95Very high69 Ų6969.4 Ų69.432%0.32237%0.369SS..Hα-helixtrans-59.7-41.6-176.2-171.457.951.900111.2S115 I131 F132 D133S115-Q129 PolarHBondContact OG-OE1 3.13Å; Q129-I131 PolarHBondContact O-N 2.92Å; Q129-F132 WeakPolarHBondContact O-CB 3.3Å; Q129-F132 PolarHBondContact O-N 3.45Å; Q129-D133 PolarHBondContact NE2-OD1 3.44Å; Q129-D133 PolarHBondContact NE2-OD2 2.79Å; Q129-D133 WeakPolarHBondContact O-CB 3.46Å; Q129-D133 VanDerWaalsContact O-CG 3.28Å; Q129-D133 PolarHBondContact O-N 3.45Å
130D97.4Very high95.1Very high132 Ų13267.9 Ų67.971%0.70636%0.364SS*.Hα-helixtrans-60.4-43.7177-60.4-23.7000112.6S128 A134S128-D130 VanDerWaalsContact C-N 3.28Å; S128-D130 PolarHBondContact O-N 2.88Å; D130-A134 VanDerWaalsContact O-CB 3.29Å; D130-A134 WeakPolarHBondContact O-CB 3.46Å; D130-A134 PolarHBondContact O-N 2.98Å
131I97.3Very high95Very high23 Ų2365.1 Ų65.112%0.11836%0.358CS..Hα-helixtrans-68.3-41.8178.4-67.1-66.8000110.7A50 Y127 S128 Q129 A134 L135A50-I131 HydrophobicContact CB-CD1 3.86Å; Y127-I131 HydrophobicContact CD1-CG2 3.97Å; S128-I131 PolarHBondContact O-N 2.74Å; S128-I131 WeakPolarHBondContact OG-CB 3.36Å; S128-I131 WeakPolarHBondContact OG-CG1 3.22Å; S128-I131 PolarHBondContact OG-N 3.39Å; Q129-I131 PolarHBondContact O-N 2.92Å; I131-A134 PolarHBondContact O-N 3.33Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.35Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 3.19Å
132F97.8Very high95.2Very high1 Ų162.8 Ų62.80%0.00435%0.351CS..Hα-helixtrans-58.7-51.4176.3177.7-85.3000111P10 S115 N118 S128 Q129 A134 L135 V136P10-F132 HydrophobicContact CB-CD2 3.81Å; P10-F132 HydrophobicContact CB-CE2 3.92Å; P10-F132 HydrophobicContact CG-CD2 4.22Å; P10-F132 HydrophobicContact CG-CE2 4.4Å; S115-F132 VanDerWaalsContact N-CZ 3.29Å; N118-F132 HydrophobicContact CB-CD2 4.38Å; S128-F132 WeakPolarHBondContact O-CB 3.37Å; S128-F132 PolarHBondContact O-N 2.84Å; Q129-F132 WeakPolarHBondContact O-CB 3.3Å; Q129-F132 PolarHBondContact O-N 3.45Å; F132-A134 VanDerWaalsContact C-N 3.35Å; F132-A134 PolarHBondContact O-N 3.22Å; F132-L135 PolarHBondContact O-N 3.32Å; F132-L135 VanDerWaalsContact O-N 3.12Å; F132-V136 HydrophobicContact CD1-CG2 4.12Å; F132-V136 HydrophobicContact CE1-CG2 3.62Å; F132-V136 HydrophobicContact CZ-CG2 3.82Å; F132-V136 WeakPolarHBondContact O-CG2 3.43Å; F132-V136 PolarHBondContact O-N 3.29Å
133D98Very high95.2Very high64 Ų6457.2 Ų57.234%0.34233%0.326SS..Hα-helixtrans-63.5-41.7-178.3-68.6-27.9000111.2Q129 L135 V136 Q137Q129-D133 PolarHBondContact NE2-OD1 3.44Å; Q129-D133 PolarHBondContact NE2-OD2 2.79Å; Q129-D133 WeakPolarHBondContact O-CB 3.46Å; Q129-D133 VanDerWaalsContact O-CG 3.28Å; Q129-D133 PolarHBondContact O-N 3.45Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.44Å; D133-V136 PolarHBondContact O-N 3.26Å; D133-Q137 WeakPolarHBondContact O-CG 3.35Å; D133-Q137 PolarHBondContact O-N 2.8Å
134A97.5Very high95.2Very high33 Ų3357.4 Ų57.427%0.27332%0.322SS..Hα-helixtrans-62.8-35.7174.300000112.8D130 I131 F132 R138D130-A134 VanDerWaalsContact O-CB 3.29Å; D130-A134 WeakPolarHBondContact O-CB 3.46Å; D130-A134 PolarHBondContact O-N 2.98Å; I131-A134 PolarHBondContact O-N 3.33Å; F132-A134 VanDerWaalsContact C-N 3.35Å; F132-A134 PolarHBondContact O-N 3.22Å; A134-R138 WeakPolarHBondContact O-CB 3.41Å; A134-R138 WeakPolarHBondContact O-CG 3.47Å; A134-R138 PolarHBondContact O-N 3.45Å; A134-R138 PolarHBondContact O-NE 3.31Å
135L97.4Very high95.3Very high2 Ų262.5 Ų62.51%0.0132%0.321CS..Hα-helixtrans-71.2-39.3175.8-75.5167.3000112.1P10 Y49 L81 Y83 Y127 I131 F132 D133 R138 F139P10-L135 HydrophobicContact CG-CB 3.62Å; P10-L135 HydrophobicContact CG-CD1 3.73Å; P10-L135 HydrophobicContact CG-CG 4.3Å; Y49-L135 HydrophobicContact CD1-CD1 4.42Å; Y49-L135 HydrophobicContact CD1-CD2 3.79Å; Y49-L135 HydrophobicContact CD2-CD1 3.98Å; Y49-L135 HydrophobicContact CE1-CD2 4.31Å; Y49-L135 HydrophobicContact CG-CD1 3.94Å; Y49-L135 HydrophobicContact CG-CD2 4.06Å; Y49-L135 HydrophobicContact CG-CG 4.47Å; L81-L135 HydrophobicContact CD1-CD1 4.02Å; L81-L135 HydrophobicContact CD1-CD2 3.84Å; L81-L135 HydrophobicContact CD1-CG 4.5Å; Y83-L135 HydrophobicContact CE1-CD2 4.05Å; Y83-L135 HydrophobicContact CE2-CD2 4.26Å; Y127-L135 HydrophobicContact CD1-CD1 3.85Å; Y127-L135 HydrophobicContact CE1-CD1 3.73Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.35Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 3.19Å; F132-L135 PolarHBondContact O-N 3.32Å; F132-L135 VanDerWaalsContact O-N 3.12Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.44Å; L135-R138 VanDerWaalsContact CD2-NH2 3.28Å; L135-R138 PolarHBondContact O-N 3.24Å; L135-F139 PolarHBondContact O-N 3.02Å
136V97.8Very high95.2Very high24 Ų2461.5 Ų61.515%0.14532%0.317CS..Hα-helixtrans-63-44.8174.8170.10000110.7Y9 F132 D133 R138 F139Y9-V136 HydrophobicContact CD1-CG2 4.24Å; Y9-V136 HydrophobicContact CE1-CG1 4.06Å; Y9-V136 HydrophobicContact CE2-CG1 4.44Å; Y9-V136 HydrophobicContact CG-CG2 4.26Å; F132-V136 HydrophobicContact CD1-CG2 4.12Å; F132-V136 HydrophobicContact CE1-CG2 3.62Å; F132-V136 HydrophobicContact CZ-CG2 3.82Å; F132-V136 WeakPolarHBondContact O-CG2 3.43Å; F132-V136 PolarHBondContact O-N 3.29Å; D133-V136 PolarHBondContact O-N 3.26Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 2.91Å; V136-F139 VanDerWaalsContact O-CB 3.29Å; V136-F139 WeakPolarHBondContact O-CB 3.35Å; V136-F139 PolarHBondContact O-N 3.25Å; V136-F139 VanDerWaalsContact O-N 3.17Å
137Q97.2Very high94.7Very high167 Ų16769.6 Ų69.678%0.7835%0.346SS*.Hα-helixtrans-62.8-34.8178.2-73.9177.84.100113.3D133 F139D133-Q137 WeakPolarHBondContact O-CG 3.35Å; D133-Q137 PolarHBondContact O-N 2.8Å; Q137-F139 VanDerWaalsContact C-N 3.32Å
138R96.6Very high94.3Very high93 Ų9371.6 Ų71.635%0.35135%0.353SS..THydrogen-bonded Turntrans-84.2-3.1178.4-65.4179.3-71.8169-8.7113.6E55 Y83 A134 L135 V136 E140E55-R138 IonicContact OE2-CZ 3.88Å; E55-R138 IonicContact OE2-NH1 3.07Å; E55-R138 PolarHBondContact OE2-NH1 3.06Å; E55-R138 IonicContact OE2-NH2 2.81Å; Y83-R138 HydrophobicContact CD2-CB 4.28Å; Y83-R138 HydrophobicContact CE2-CB 3.64Å; Y83-R138 PolarHBondContact OH-NH1 3.42Å; A134-R138 WeakPolarHBondContact O-CB 3.41Å; A134-R138 WeakPolarHBondContact O-CG 3.47Å; A134-R138 PolarHBondContact O-N 3.45Å; A134-R138 PolarHBondContact O-NE 3.31Å; L135-R138 VanDerWaalsContact CD2-NH2 3.28Å; L135-R138 PolarHBondContact O-N 3.24Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 2.91Å; R138-E140 PolarHBondContact O-N 3.5Å
139F97.7Very high94.1Very high30 Ų3069.2 Ų69.213%0.13234%0.336CS..  trans-68.6119.2-177-178.2-96.6000111.7Y9 H106 L135 V136 Q137 A141Y9-F139 HydrophobicContact CD1-CB 3.89Å; Y9-F139 AromaticContact CD1-CD1 3.95Å; Y9-F139 HydrophobicContact CD1-CD1 3.95Å; Y9-F139 AromaticContact CD1-CD2 3.82Å; Y9-F139 HydrophobicContact CD1-CD2 3.82Å; Y9-F139 HydrophobicContact CD1-CE1 4.44Å; Y9-F139 HydrophobicContact CD1-CE2 4.41Å; Y9-F139 AromaticContact CD1-CG 3.62Å; Y9-F139 HydrophobicContact CD1-CG 3.62Å; Y9-F139 HydrophobicContact CE1-CB 3.58Å; Y9-F139 AromaticContact CE1-CD1 3.42Å; Y9-F139 HydrophobicContact CE1-CD1 3.42Å; Y9-F139 VanDerWaalsContact CE1-CD1 3.42Å; Y9-F139 HydrophobicContact CE1-CD2 4.12Å; Y9-F139 HydrophobicContact CE1-CE1 4.1Å; Y9-F139 AromaticContact CE1-CG 3.44Å; Y9-F139 HydrophobicContact CE1-CG 3.44Å; Y9-F139 VanDerWaalsContact CE1-CG 3.44Å; H106-F139 AromaticContact NE2-CE1 3.99Å; H106-F139 AromaticContact NE2-CZ 3.59Å; L135-F139 PolarHBondContact O-N 3.02Å; V136-F139 VanDerWaalsContact O-CB 3.29Å; V136-F139 WeakPolarHBondContact O-CB 3.35Å; V136-F139 PolarHBondContact O-N 3.25Å; V136-F139 VanDerWaalsContact O-N 3.17Å; Q137-F139 VanDerWaalsContact C-N 3.32Å; F139-A141 HydrophobicContact CD1-CB 4.35Å; F139-A141 VanDerWaalsContact CE1-CA 3.47Å; F139-A141 HydrophobicContact CE1-CB 3.79Å
140E97.3Very high93.7Very high91 Ų9167.3 Ų67.343%0.42533%0.331SS..  trans-100.4100.1174.9-63.8177.6158.200108.9Y83 K85 R88 R138Y83-E140 PolarHBondContact O-N 2.95Å; K85-E140 WeakPolarHBondContact CA-OE2 3.2Å; K85-E140 HydrophobicContact CB-CB 4.3Å; K85-E140 WeakPolarHBondContact CB-OE2 3.36Å; K85-E140 PolarHBondContact N-OE2 2.93Å; R88-E140 VanDerWaalsContact CZ-O 3.28Å; R88-E140 PolarHBondContact NH1-O 3.34Å; R88-E140 PolarHBondContact NH2-O 3.3Å; R138-E140 PolarHBondContact O-N 3.5Å
141A94.8Very high93.1Very high62 Ų6262.2 Ų62.251%0.51231%0.305SS..  trans-55.9140.5-178.200000112.1F139 D143F139-A141 HydrophobicContact CD1-CB 4.35Å; F139-A141 VanDerWaalsContact CE1-CA 3.47Å; F139-A141 HydrophobicContact CE1-CB 3.79Å; A141-D143 PolarHBondContact O-N 2.75Å
142P95Very high92.6Very high16 Ų1663.5 Ų63.510%0.10431%0.312CS..  trans-52129.7172.9-30.838.9000112.8C7 L104 H106 D149 P151C7-P142 HydrophobicContact CB-CG 4.49Å; L104-P142 HydrophobicContact CD2-CB 3.7Å; L104-P142 HydrophobicContact CD2-CG 3.85Å; H106-P142 HydrophobicContact CB-CG 4.27Å; P142-D149 WeakPolarHBondContact CB-O 3.45Å; P142-P151 HydrophobicContact CB-CB 3.81Å; P142-P151 HydrophobicContact CB-CG 3.8Å; P142-P151 HydrophobicContact CG-CB 4.42Å
143D91.8Very high92.4Very high34 Ų3464.9 Ų64.918%0.18232%0.318CS..  trans-101.4110.3-177-174-10.6000111.5A141 R145 N146 D149A141-D143 PolarHBondContact O-N 2.75Å; D143-R145 PolarHBondContact O-N 3.22Å; D143-R145 VanDerWaalsContact O-N 3.11Å; D143-R145 VanDerWaalsContact OD1-CB 3.28Å; D143-R145 WeakPolarHBondContact OD1-CB 3.37Å; D143-R145 WeakPolarHBondContact OD1-CG 3.49Å; D143-R145 IonicContact OD1-CZ 2.92Å; D143-R145 PolarHBondContact OD1-N 3.42Å; D143-R145 IonicContact OD1-NE 3.74Å; D143-R145 PolarHBondContact OD1-NE 3.43Å; D143-R145 IonicContact OD1-NH2 3.73Å; D143-R145 IonicContact OD2-CZ 3.25Å; D143-R145 IonicContact OD2-NE 3.66Å; D143-R145 PolarHBondContact OD2-NE 2.88Å; D143-R145 IonicContact OD2-NH2 3.42Å; D143-R145 PolarHBondContact OD2-NH2 2.83Å; D143-N146 PolarHBondContact O-N 3.47Å; D143-N146 PolarHBondContact OD2-ND2 3.19Å; D143-D149 PolarHBondContact N-O 3.08Å; D143-D149 PolarHBondContact N-OD2 2.82Å
144S89.8Confident92.2Very high86 Ų8664.9 Ų64.960%0.60132%0.32SS*.THydrogen-bonded Turntrans-61-20.6-178.861.60000114.4N146S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 PolarHBondContact O-N 3.37Å
145R88.3Confident91.9Very high206 Ų20663.5 Ų63.578%0.77731%0.308SS*.THydrogen-bonded Turntrans-71-25.3175.7-59.6172.1-65.8-176.62.5112.1D143D143-R145 PolarHBondContact O-N 3.22Å; D143-R145 VanDerWaalsContact O-N 3.11Å; D143-R145 VanDerWaalsContact OD1-CB 3.28Å; D143-R145 WeakPolarHBondContact OD1-CB 3.37Å; D143-R145 WeakPolarHBondContact OD1-CG 3.49Å; D143-R145 IonicContact OD1-CZ 2.92Å; D143-R145 PolarHBondContact OD1-N 3.42Å; D143-R145 IonicContact OD1-NE 3.74Å; D143-R145 PolarHBondContact OD1-NE 3.43Å; D143-R145 IonicContact OD1-NH2 3.73Å; D143-R145 IonicContact OD2-CZ 3.25Å; D143-R145 IonicContact OD2-NE 3.66Å; D143-R145 PolarHBondContact OD2-NE 2.88Å; D143-R145 IonicContact OD2-NH2 3.42Å; D143-R145 PolarHBondContact OD2-NH2 2.83Å
146N87.1Confident91.7Very high42 Ų4267.6 Ų67.623%0.22533%0.33CS..SBendtrans-93.9109.8177.6-64.6-48.1000108.9D143 S144 W148 D149 S150D143-N146 PolarHBondContact O-N 3.47Å; D143-N146 PolarHBondContact OD2-ND2 3.19Å; S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 PolarHBondContact O-N 3.37Å; N146-W148 HydrophobicContact CB-CD2 4.36Å; N146-W148 HydrophobicContact CB-CZ2 4.28Å; N146-W148 PolarHBondContact O-N 2.8Å; N146-D149 HydrophobicContact CB-CB 3.75Å; N146-D149 CarbonylContact O-C 3.47Å; N146-D149 PolarHBondContact O-N 3.11Å; N146-S150 WeakPolarHBondContact O-CB 3.37Å; N146-S150 PolarHBondContact O-N 3.02Å
147R83.4Confident91Very high226 Ų22670.5 Ų70.585%0.85334%0.34SS*.THydrogen-bonded Turntrans-51.5-33.1-179.3-177.2178.2175.1-1750.2113.9
148W86Confident90.5Very high53 Ų5369.2 Ų69.220%0.20134%0.339CS..THydrogen-bonded Turntrans-81.7-22.4179.658.6-97.5000113.9K85 Y89 F92 N146K85-W148 HydrophobicContact CD-CH2 4.08Å; K85-W148 HydrophobicContact CG-CH2 3.52Å; K85-W148 HydrophobicContact CG-CZ3 4.05Å; Y89-W148 AromaticContact CD2-CD2 3.85Å; Y89-W148 HydrophobicContact CD2-CD2 3.85Å; Y89-W148 AromaticContact CD2-CE2 3.98Å; Y89-W148 AromaticContact CD2-CE3 3.89Å; Y89-W148 HydrophobicContact CD2-CE3 3.89Å; Y89-W148 HydrophobicContact CD2-CG 4.42Å; Y89-W148 HydrophobicContact CD2-CH2 4.15Å; Y89-W148 HydrophobicContact CD2-CZ2 4.14Å; Y89-W148 HydrophobicContact CD2-CZ3 4.06Å; Y89-W148 HydrophobicContact CG-CH2 4.45Å; Y89-W148 HydrophobicContact CG-CZ3 4.35Å; F92-W148 HydrophobicContact CB-CB 4.4Å; F92-W148 HydrophobicContact CD1-CB 3.42Å; F92-W148 VanDerWaalsContact CD1-CB 3.42Å; F92-W148 HydrophobicContact CD1-CG 4.19Å; F92-W148 HydrophobicContact CD2-CB 3.87Å; F92-W148 HydrophobicContact CE1-CB 3.41Å; F92-W148 VanDerWaalsContact CE1-CB 3.41Å; F92-W148 HydrophobicContact CE1-CG 4.26Å; F92-W148 HydrophobicContact CE2-CB 3.89Å; F92-W148 HydrophobicContact CG-CB 3.63Å; F92-W148 HydrophobicContact CZ-CB 3.65Å; N146-W148 HydrophobicContact CB-CD2 4.36Å; N146-W148 HydrophobicContact CB-CZ2 4.28Å; N146-W148 PolarHBondContact O-N 2.8Å
149D91.2Very high90.1Very high0 Ų067.8 Ų67.80%034%0.338CS..THydrogen-bonded Turntrans-108.2-0.8-179.7-150.838.9000112.9R88 L104 P142 D143 N146R88-D149 IonicContact CZ-OD1 3.27Å; R88-D149 IonicContact CZ-OD2 2.89Å; R88-D149 IonicContact NE-OD1 2.76Å; R88-D149 PolarHBondContact NE-OD1 3.4Å; R88-D149 IonicContact NE-OD2 3.41Å; R88-D149 IonicContact NH2-OD1 2.7Å; R88-D149 PolarHBondContact NH2-OD1 3.28Å; R88-D149 IonicContact NH2-OD2 3.84Å; R88-D149 PolarHBondContact NH2-OD2 2.88Å; L104-D149 WeakPolarHBondContact CD2-O 3.36Å; P142-D149 WeakPolarHBondContact CB-O 3.45Å; D143-D149 PolarHBondContact N-O 3.08Å; D143-D149 PolarHBondContact N-OD2 2.82Å; N146-D149 HydrophobicContact CB-CB 3.75Å; N146-D149 CarbonylContact O-C 3.47Å; N146-D149 PolarHBondContact O-N 3.11Å
150S88.3Confident89.6Confident29 Ų2972.5 Ų72.520%0.20337%0.369CS..  trans-65.9123.2-175.7-175.30000109.3N146 L152N146-S150 WeakPolarHBondContact O-CB 3.37Å; N146-S150 PolarHBondContact O-N 3.02Å; S150-L152 PolarHBondContact O-N 2.96Å
151P85Confident89Confident25 Ų2569.4 Ų69.416%0.16236%0.357CS..  trans-67.5103.6173.628.7-30.8000107H106 P142 F153H106-P151 HydrophobicContact CB-CB 3.88Å; P142-P151 HydrophobicContact CB-CB 3.81Å; P142-P151 HydrophobicContact CB-CG 3.8Å; P142-P151 HydrophobicContact CG-CB 4.42Å; P151-F153 PolarHBondContact O-N 3.46Å
152L87.8Confident88.7Confident50 Ų5068.4 Ų68.426%0.26235%0.345SS..SBendtrans-63.1-29.6179.3-68.7-170.8000110.9C103 L104 S150 A169C103-L152 HydrophobicContact CB-CD1 4.06Å; L104-L152 PolarHBondContact O-N 3.16Å; S150-L152 PolarHBondContact O-N 2.96Å; L152-A169 HydrophobicContact CD1-CB 4.3Å
153F92.7Very high88.6Confident29 Ų2969.7 Ų69.713%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-137.1130.7174.4-55.6-78.2000109.2C103 L104 V105 H106 P151 P162 A165 V166 A169C103-F153 WeakPolarHBondContact SG-CD2 3.44Å; C103-F153 VanDerWaalsContact SG-CE2 3.52Å; L104-F153 PolarHBondContact O-N 2.66Å; V105-F153 WeakPolarHBondContact CA-O 3.4Å; V105-F153 HydrophobicContact CG1-CB 4.48Å; V105-F153 HydrophobicContact CG2-CB 4.46Å; V105-F153 HydrophobicContact CG2-CD2 4.33Å; H106-F153 PolarHBondContact N-O 3.33Å; P151-F153 PolarHBondContact O-N 3.46Å; F153-P162 HydrophobicContact CB-CG 4.03Å; F153-P162 HydrophobicContact CD1-CB 4Å; F153-P162 HydrophobicContact CD1-CG 3.79Å; F153-P162 HydrophobicContact CE1-CB 4.45Å; F153-P162 HydrophobicContact CG-CG 4.02Å; F153-A165 HydrophobicContact CD1-CB 4.44Å; F153-A165 HydrophobicContact CE1-CB 3.48Å; F153-A165 VanDerWaalsContact CE1-CB 3.48Å; F153-A165 HydrophobicContact CZ-CB 3.9Å; F153-A165 VanDerWaalsContact CZ-O 3.22Å; F153-A165 WeakPolarHBondContact CZ-O 3.48Å; F153-V166 HydrophobicContact CD1-CG2 4.47Å; F153-V166 HydrophobicContact CD2-CG2 3.55Å; F153-V166 HydrophobicContact CE2-CB 4.22Å; F153-V166 HydrophobicContact CE2-CG2 3.64Å; F153-V166 HydrophobicContact CG-CG2 3.99Å; F153-V166 HydrophobicContact CZ-CG2 4.18Å; F153-A169 HydrophobicContact CE2-CB 3.84Å; F153-A169 HydrophobicContact CZ-CB 3.99Å
154T93.1Very high88.6Confident64 Ų6473.7 Ų73.739%0.39337%0.369SS..EExtended strand (participates in β ladder)trans-110.4121.5167-59.70000106.7H106 L108H106-T154 CarbonylContact O-C 3.54Å; H106-T154 WeakPolarHBondContact O-CA 3.32Å; L108-T154 HydrophobicContact CB-CG2 3.63Å; L108-T154 HydrophobicContact CD2-CG2 3.82Å; L108-T154 HydrophobicContact CG-CG2 4.36Å
155V92.8Very high88.7Confident5 Ų571.7 Ų71.73%0.0336%0.357CS..EExtended strand (participates in β ladder)trans-114.9120-174.9-177.80000108.2R17 V105 H106 C107 L108 D159 P162R17-V155 HydrophobicContact CG-CG1 4.48Å; V105-V155 HydrophobicContact CG1-CG2 3.93Å; H106-V155 PolarHBondContact O-N 3.02Å; C107-V155 WeakPolarHBondContact CA-O 3.36Å; L108-V155 PolarHBondContact N-O 2.79Å; V155-D159 HydrophobicContact CG1-CB 4.1Å; V155-P162 HydrophobicContact CG2-CG 4.05Å
156L92.3Very high88.8Confident88 Ų8862 Ų6246%0.46132%0.321SS..  trans-83.3168.1172.3-63.5136.3000110.2R17 L108 D158 D159R17-L156 PolarHBondContact NH2-O 3.34Å; L108-L156 HydrophobicContact CD2-CD2 4.21Å; L156-D158 PolarHBondContact O-N 2.98Å; L156-D159 WeakPolarHBondContact CB-OD2 3.33Å; L156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; L156-D159 PolarHBondContact N-OD2 3.4Å; L156-D159 PolarHBondContact O-N 2.98Å
157K83.9Confident89Confident84 Ų8460.5 Ų60.537%0.36531%0.314SS..THydrogen-bonded Turntrans-53.6-48.1179.7170-176.4170.3-168.50113.4R17 E113 W117R17-K157 PolarHBondContact NH2-O 3.35Å; E113-K157 VanDerWaalsContact OE1-CD 3.31Å; E113-K157 WeakPolarHBondContact OE1-CD 3.05Å; E113-K157 IonicContact OE1-NZ 3.43Å; E113-K157 PolarHBondContact OE1-NZ 2.87Å; W117-K157 HydrophobicContact CH2-CB 4.04Å; W117-K157 HydrophobicContact CH2-CD 3.97Å; W117-K157 HydrophobicContact CH2-CG 3.72Å; W117-K157 HydrophobicContact CZ2-CB 4.42Å; W117-K157 HydrophobicContact CZ2-CD 3.53Å; W117-K157 HydrophobicContact CZ2-CG 3.65Å
158D86.4Confident89.3Confident141 Ų14152.6 Ų52.675%0.75429%0.289SS*.THydrogen-bonded Turntrans-932-173.5-57.8-47.5000112.9L156L156-D158 PolarHBondContact O-N 2.98Å
159D87.6Confident89.5Confident62 Ų6250.2 Ų50.233%0.33228%0.28SS..SBendtrans-70.2145.9179.5-74.6-11.9000111.6R17 V155 L156R17-D159 PolarHBondContact NH1-O 3.42Å; R17-D159 PolarHBondContact NH2-O 3.44Å; V155-D159 HydrophobicContact CG1-CB 4.1Å; L156-D159 WeakPolarHBondContact CB-OD2 3.33Å; L156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; L156-D159 PolarHBondContact N-OD2 3.4Å; L156-D159 PolarHBondContact O-N 2.98Å
160V87.3Confident89.3Confident129 Ų12950.4 Ų50.478%0.78228%0.281SS*.PPolyproline II helixtrans-69.5129.3160.4-1790000107.5
161P85Confident89.3Confident26 Ų2652.2 Ų52.217%0.16929%0.285CS..PPolyproline II helixtrans-62.2135.1-178.527.3-33.5000109.6E20 L163E20-P161 HydrophobicContact CB-CG 4.47Å; E20-P161 WeakPolarHBondContact OE2-CG 3.47Å; P161-L163 HydrophobicContact CB-CD2 3.92Å; P161-L163 HydrophobicContact CB-CG 4.13Å; P161-L163 HydrophobicContact CG-CD1 4.22Å; P161-L163 HydrophobicContact CG-CD2 4.03Å; P161-L163 HydrophobicContact CG-CG 3.95Å; P161-L163 PolarHBondContact O-N 3.34Å
162P88.9Confident89.3Confident41 Ų4158.2 Ų58.227%0.26631%0.309SS..  trans-79.257.1-176.132.8-36.4000111.9F153 V155 E164 A165 V166F153-P162 HydrophobicContact CB-CG 4.03Å; F153-P162 HydrophobicContact CD1-CB 4Å; F153-P162 HydrophobicContact CD1-CG 3.79Å; F153-P162 HydrophobicContact CE1-CB 4.45Å; F153-P162 HydrophobicContact CG-CG 4.02Å; V155-P162 HydrophobicContact CG2-CG 4.05Å; P162-E164 PolarHBondContact O-N 3.16Å; P162-A165 HydrophobicContact CB-CB 4.24Å; P162-A165 PolarHBondContact O-N 3.3Å; P162-V166 HydrophobicContact CG-CG2 4.26Å; P162-V166 VanDerWaalsContact O-CG2 3.29Å; P162-V166 WeakPolarHBondContact O-CG2 3.37Å; P162-V166 PolarHBondContact O-N 3.14Å
163L92.4Very high89Confident43 Ų4362 Ų6223%0.22532%0.32CS..Hα-helixtrans-54.9-55.3-169.6-59.8174.1000112.8E20 L21 H24 P161 A165 V166 S167E20-L163 HydrophobicContact CB-CD2 4.41Å; L21-L163 HydrophobicContact CD2-CD2 3.73Å; L21-L163 HydrophobicContact CG-CD2 4.12Å; H24-L163 HydrophobicContact CB-CB 4.33Å; H24-L163 HydrophobicContact CB-CD1 4.06Å; H24-L163 HydrophobicContact CB-CD2 4.11Å; H24-L163 HydrophobicContact CB-CG 4.38Å; P161-L163 HydrophobicContact CB-CD2 3.92Å; P161-L163 HydrophobicContact CB-CG 4.13Å; P161-L163 HydrophobicContact CG-CD1 4.22Å; P161-L163 HydrophobicContact CG-CD2 4.03Å; P161-L163 HydrophobicContact CG-CG 3.95Å; P161-L163 PolarHBondContact O-N 3.34Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.05Å; L163-V166 PolarHBondContact O-N 3.2Å; L163-S167 PolarHBondContact O-N 3.48Å
164E91.4Very high88.2Confident119 Ų11970.1 Ų70.156%0.55636%0.355SS*.Hα-helixtrans-61.5-40.8178.5-70.9-63.2159.600112.4H24 P162 V166 S167 D168H24-E164 IonicContact CE1-OE1 2.88Å; H24-E164 PolarHBondContact CE1-OE1 3.21Å; H24-E164 VanDerWaalsContact CE1-OE1 3.24Å; H24-E164 IonicContact NE2-OE1 3.62Å; P162-E164 PolarHBondContact O-N 3.16Å; E164-V166 VanDerWaalsContact C-N 3.33Å; E164-V166 PolarHBondContact O-N 3.38Å; E164-S167 VanDerWaalsContact O-CB 3.31Å; E164-S167 WeakPolarHBondContact O-CB 3.44Å; E164-S167 PolarHBondContact O-N 2.94Å; E164-D168 WeakPolarHBondContact O-CB 3.43Å; E164-D168 PolarHBondContact O-N 3.46Å
165A90.9Very high87.4Confident44 Ų4468.6 Ų68.636%0.36435%0.349SS..Hα-helixtrans-68.6-35.6-179.600000111.4F153 P162 L163 D168 A169F153-A165 HydrophobicContact CD1-CB 4.44Å; F153-A165 HydrophobicContact CE1-CB 3.48Å; F153-A165 VanDerWaalsContact CE1-CB 3.48Å; F153-A165 HydrophobicContact CZ-CB 3.9Å; F153-A165 VanDerWaalsContact CZ-O 3.22Å; F153-A165 WeakPolarHBondContact CZ-O 3.48Å; P162-A165 HydrophobicContact CB-CB 4.24Å; P162-A165 PolarHBondContact O-N 3.3Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.05Å; A165-D168 PolarHBondContact O-N 3.47Å; A165-A169 WeakPolarHBondContact O-CB 3.32Å; A165-A169 PolarHBondContact O-N 3.05Å
166V91.8Very high86.4Confident1 Ų169.4 Ų69.41%0.00635%0.354CS..Hα-helixtrans-64.5-46.8171.3178.30000109.6V4 L21 F25 V105 F153 P162 L163 E164 D168 A169 L170V4-V166 HydrophobicContact CG2-CG1 4.32Å; L21-V166 HydrophobicContact CD2-CB 3.94Å; L21-V166 HydrophobicContact CD2-CG1 3.89Å; L21-V166 HydrophobicContact CD2-CG2 4.12Å; F25-V166 HydrophobicContact CZ-CG1 4.04Å; V105-V166 HydrophobicContact CG2-CG2 4.33Å; F153-V166 HydrophobicContact CD1-CG2 4.47Å; F153-V166 HydrophobicContact CD2-CG2 3.55Å; F153-V166 HydrophobicContact CE2-CB 4.22Å; F153-V166 HydrophobicContact CE2-CG2 3.64Å; F153-V166 HydrophobicContact CG-CG2 3.99Å; F153-V166 HydrophobicContact CZ-CG2 4.18Å; P162-V166 HydrophobicContact CG-CG2 4.26Å; P162-V166 VanDerWaalsContact O-CG2 3.29Å; P162-V166 WeakPolarHBondContact O-CG2 3.37Å; P162-V166 PolarHBondContact O-N 3.14Å; L163-V166 PolarHBondContact O-N 3.2Å; E164-V166 VanDerWaalsContact C-N 3.33Å; E164-V166 PolarHBondContact O-N 3.38Å; V166-D168 VanDerWaalsContact C-N 3.3Å; V166-D168 PolarHBondContact O-N 3.24Å; V166-A169 WeakPolarHBondContact O-CB 3.19Å; V166-A169 PolarHBondContact O-N 3.12Å; V166-A169 VanDerWaalsContact O-N 3.09Å; V166-L170 HydrophobicContact CG1-CD1 4.17Å; V166-L170 HydrophobicContact CG1-CG 4.38Å; V166-L170 VanDerWaalsContact O-CG 3.29Å; V166-L170 WeakPolarHBondContact O-CG 3.22Å; V166-L170 PolarHBondContact O-N 3.36Å
167S90.8Very high85.2Confident12 Ų1269.9 Ų69.98%0.08436%0.363CS..Hα-helixtrans-52.1-48.4174.5-169.90000112L163 E164 A169 L170 F171L163-S167 PolarHBondContact O-N 3.48Å; E164-S167 VanDerWaalsContact O-CB 3.31Å; E164-S167 WeakPolarHBondContact O-CB 3.44Å; E164-S167 PolarHBondContact O-N 2.94Å; S167-A169 PolarHBondContact O-N 3.45Å; S167-L170 PolarHBondContact O-N 3.32Å; S167-L170 VanDerWaalsContact O-N 3.09Å; S167-F171 WeakPolarHBondContact O-CD2 3.31Å; S167-F171 PolarHBondContact O-N 2.89Å; S167-F171 VanDerWaalsContact OG-CD2 3.29Å; S167-F171 WeakPolarHBondContact OG-CD2 3.49Å; S167-F171 VanDerWaalsContact OG-CE2 3.25Å; S167-F171 WeakPolarHBondContact OG-CE2 3.41Å
168D90.4Very high84.3Confident60 Ų6067.5 Ų67.532%0.32136%0.355SS..Hα-helixtrans-61.3-43176-82.21.9000113E164 A165 V166 L170 K172E164-D168 WeakPolarHBondContact O-CB 3.43Å; E164-D168 PolarHBondContact O-N 3.46Å; A165-D168 PolarHBondContact O-N 3.47Å; V166-D168 VanDerWaalsContact C-N 3.3Å; V166-D168 PolarHBondContact O-N 3.24Å; D168-L170 PolarHBondContact O-N 2.88Å; D168-K172 HydrophobicContact CB-CD 4.07Å; D168-K172 WeakPolarHBondContact O-CA 3.47Å; D168-K172 VanDerWaalsContact O-CB 3.29Å; D168-K172 WeakPolarHBondContact O-CB 3.44Å; D168-K172 PolarHBondContact O-N 3.36Å; D168-K172 WeakPolarHBondContact OD1-CD 3.42Å; D168-K172 WeakPolarHBondContact OD1-CE 3.42Å; D168-K172 IonicContact OD1-NZ 3.72Å; D168-K172 PolarHBondContact OD1-NZ 3.46Å; D168-K172 IonicContact OD2-NZ 3.24Å; D168-K172 PolarHBondContact OD2-NZ 2.9Å
169A88.9Confident83.3Confident2 Ų263 Ų632%0.01733%0.332CS..Hα-helixtrans-61.6-29.6176.800000112.3L152 F153 A165 V166 S167 R173L152-A169 HydrophobicContact CD1-CB 4.3Å; F153-A169 HydrophobicContact CE2-CB 3.84Å; F153-A169 HydrophobicContact CZ-CB 3.99Å; A165-A169 WeakPolarHBondContact O-CB 3.32Å; A165-A169 PolarHBondContact O-N 3.05Å; V166-A169 WeakPolarHBondContact O-CB 3.19Å; V166-A169 PolarHBondContact O-N 3.12Å; V166-A169 VanDerWaalsContact O-N 3.09Å; S167-A169 PolarHBondContact O-N 3.45Å; A169-R173 WeakPolarHBondContact O-CB 3.03Å; A169-R173 WeakPolarHBondContact O-CD 3.14Å; A169-R173 WeakPolarHBondContact O-CG 3.41Å
170L88.1Confident81.8Confident4 Ų468.4 Ų68.42%0.02136%0.355CS..Hα-helixtrans-88.2-35.7-178.4-66.5-174000114.1P2 V4 F25 P101 C103 V166 S167 D168P2-L170 HydrophobicContact CB-CB 3.56Å; P2-L170 HydrophobicContact CB-CD1 3.64Å; P2-L170 HydrophobicContact CB-CD2 3.31Å; P2-L170 HydrophobicContact CB-CG 3.61Å; P2-L170 HydrophobicContact CG-CB 3.68Å; P2-L170 HydrophobicContact CG-CD1 3.55Å; P2-L170 HydrophobicContact CG-CD2 4.21Å; P2-L170 HydrophobicContact CG-CG 3.95Å; V4-L170 HydrophobicContact CG2-CD1 3.47Å; V4-L170 VanDerWaalsContact CG2-CD1 3.47Å; V4-L170 HydrophobicContact CG2-CD2 4.25Å; V4-L170 HydrophobicContact CG2-CG 4.36Å; F25-L170 HydrophobicContact CE1-CD1 4.34Å; F25-L170 HydrophobicContact CE2-CD1 4.11Å; F25-L170 HydrophobicContact CZ-CD1 3.61Å; P101-L170 WeakPolarHBondContact CG-O 3.46Å; C103-L170 HydrophobicContact CB-CD2 3.46Å; C103-L170 VanDerWaalsContact CB-CD2 3.46Å; C103-L170 HydrophobicContact CB-CG 4.45Å; V166-L170 HydrophobicContact CG1-CD1 4.17Å; V166-L170 HydrophobicContact CG1-CG 4.38Å; V166-L170 VanDerWaalsContact O-CG 3.29Å; V166-L170 WeakPolarHBondContact O-CG 3.22Å; V166-L170 PolarHBondContact O-N 3.36Å; S167-L170 PolarHBondContact O-N 3.32Å; S167-L170 VanDerWaalsContact O-N 3.09Å; D168-L170 PolarHBondContact O-N 2.88Å
171F87.2Confident80.1Confident67 Ų6767.6 Ų67.629%0.29436%0.355SS..Hα-helixtrans-104.5-28.7-173.4-55-47.7000114.1P2 F25 T29 I75 S167P2-F171 HydrophobicContact CG-CE1 3.89Å; P2-F171 HydrophobicContact CG-CZ 4.5Å; F25-F171 HydrophobicContact CD1-CE2 4.28Å; F25-F171 HydrophobicContact CD1-CZ 4.37Å; F25-F171 HydrophobicContact CE1-CE2 4.04Å; F25-F171 HydrophobicContact CE1-CZ 4.29Å; T29-F171 HydrophobicContact CG2-CE2 4.1Å; T29-F171 HydrophobicContact CG2-CZ 4.23Å; I75-F171 HydrophobicContact CD1-CE1 4.25Å; I75-F171 HydrophobicContact CD1-CZ 3.65Å; I75-F171 HydrophobicContact CG1-CE1 4.39Å; I75-F171 HydrophobicContact CG1-CZ 4.23Å; S167-F171 WeakPolarHBondContact O-CD2 3.31Å; S167-F171 PolarHBondContact O-N 2.89Å; S167-F171 VanDerWaalsContact OG-CD2 3.29Å; S167-F171 WeakPolarHBondContact OG-CD2 3.49Å; S167-F171 VanDerWaalsContact OG-CE2 3.25Å; S167-F171 WeakPolarHBondContact OG-CE2 3.41Å
172K85.2Confident78.3Confident152 Ų15270.1 Ų70.166%0.66137%0.37SS*.THydrogen-bonded Turntrans-95.2-17.8-177.2-58.1-179.8-179.5162.10113.1D168D168-K172 HydrophobicContact CB-CD 4.07Å; D168-K172 WeakPolarHBondContact O-CA 3.47Å; D168-K172 VanDerWaalsContact O-CB 3.29Å; D168-K172 WeakPolarHBondContact O-CB 3.44Å; D168-K172 PolarHBondContact O-N 3.36Å; D168-K172 WeakPolarHBondContact OD1-CD 3.42Å; D168-K172 WeakPolarHBondContact OD1-CE 3.42Å; D168-K172 IonicContact OD1-NZ 3.72Å; D168-K172 PolarHBondContact OD1-NZ 3.46Å; D168-K172 IonicContact OD2-NZ 3.24Å; D168-K172 PolarHBondContact OD2-NZ 2.9Å
173R81.9Confident76.7Confident129 Ų12973.3 Ų73.349%0.48738%0.381SS..SBendtrans-86.1139.5179.4-63.3-174.2-178.7-170.33.4112.1A169 A175A169-R173 WeakPolarHBondContact O-CB 3.03Å; A169-R173 WeakPolarHBondContact O-CD 3.14Å; A169-R173 WeakPolarHBondContact O-CG 3.41Å; R173-A175 PolarHBondContact O-N 3.31Å
174K75.4Confident74.7Confident200 Ų20076.6 Ų76.687%0.8741%0.408SS*.PPolyproline II helixtrans-66.8131.6173.1-167.8175.5-178.2176.30110.4
175A76.4Confident72.9Confident32 Ų3278.6 Ų78.626%0.26442%0.417SS..PPolyproline II helixtrans-57.3147.8175.100000111.8Q99 P101 R173Q99-A175 VanDerWaalsContact O-CB 3.22Å; Q99-A175 WeakPolarHBondContact O-CB 2.82Å; P101-A175 HydrophobicContact CG-CB 4.37Å; R173-A175 PolarHBondContact O-N 3.31Å
176P71.3Confident71.2Confident22 Ų2280.5 Ų80.514%0.14343%0.426CS..PPolyproline II helixtrans-63.9143.7176.328.9-34000110.2F92 K96 T100F92-P176 HydrophobicContact CE2-CB 4.37Å; F92-P176 HydrophobicContact CE2-CG 4.41Å; F92-P176 HydrophobicContact CZ-CB 4.45Å; K96-P176 HydrophobicContact CG-CB 3.88Å; K96-P176 HydrophobicContact CG-CG 3.89Å; T100-P176 VanDerWaalsContact O-CD 3.27Å; T100-P176 WeakPolarHBondContact O-CD 3.07Å
177P67.9Low69.3Low98 Ų9889 Ų8964%0.63647%0.471SS*.PPolyproline II helixtrans-64.5141.1178.527-33.2000110
178P65.6Low67.7Low33 Ų3390.8 Ų90.821%0.21448%0.483CS..PPolyproline II helixtrans-59.7148.9175.727.9-38.1000110.7Q99 Q180 Q183Q99-P178 HydrophobicContact CG-CB 4.32Å; P178-Q180 PolarHBondContact O-N 3.33Å; P178-Q183 VanDerWaalsContact CG-NE2 3.33Å
179N65.6Low66.4Low48 Ų4890.9 Ų90.926%0.25749%0.488SS..PPolyproline II helixtrans-63.2127172.6-73.7-23.9000109.1K96 S181 T182K96-N179 PolarHBondContact NZ-OD1 2.92Å; N179-S181 PolarHBondContact O-N 3.04Å; N179-T182 PolarHBondContact O-N 2.9Å; N179-T182 PolarHBondContact O-OG1 2.74Å; N179-T182 VanDerWaalsContact O-OG1 3.13Å
180Q54.7Low65.3Low174 Ų17497.7 Ų97.781%0.81353%0.53SS*.G310 helixtrans-64.2-25.4-177.7-69.5-177.6-6.200112.7P178P178-Q180 PolarHBondContact O-N 3.33Å
181S51.9Low64.6Low112 Ų112101.8 Ų101.878%0.78355%0.552SS**G310 helixtrans-74.8-19.5178.6520000114.6N179N179-S181 PolarHBondContact O-N 3.04Å
182T48.2Very low64.2Low79 Ų7998.8 Ų98.849%0.48554%0.539SS..G310 helixtrans-106.13.1179.558.50000112.4N179 S184N179-T182 PolarHBondContact O-N 2.9Å; N179-T182 PolarHBondContact O-OG1 2.74Å; N179-T182 VanDerWaalsContact O-OG1 3.13Å; T182-S184 PolarHBondContact O-N 3.33Å
183Q54.8Low63.9Low108 Ų10895.9 Ų95.951%0.50553%0.53SS..SBendtrans-73.9115.4170-68.4-171.728.400107.8P178 Q185P178-Q183 VanDerWaalsContact CG-NE2 3.33Å; Q183-Q185 PolarHBondContact O-N 3.2Å; Q183-Q185 VanDerWaalsContact O-N 3.11Å
184S50.8Low64Low112 Ų11297.4 Ų97.478%0.78354%0.536SS*.PPolyproline II helixtrans-54.511916125.70000107T182T182-S184 PolarHBondContact O-N 3.33Å
185Q53.6Low64.3Low161 Ų16190.7 Ų90.775%0.75251%0.508SS*.PPolyproline II helixtrans-52.4138.6170.8-74.7-174.3-2.900107.4Q183 L187Q183-Q185 PolarHBondContact O-N 3.2Å; Q183-Q185 VanDerWaalsContact O-N 3.11Å; Q185-L187 PolarHBondContact O-N 2.81Å
186P55.6Low64.7Low84 Ų8489.2 Ų89.255%0.54550%0.496SS..PPolyproline II helixtrans-48.2131.6169.7-20.630.2000107.3S188 P255P186-S188 PolarHBondContact O-N 3.21Å; P186-P255 HydrophobicContact CB-CG 4.19Å; P186-P255 HydrophobicContact CG-CG 4.1Å
187L50.8Low65.3Low181 Ų18192.1 Ų92.195%0.94851%0.51SS*.  trans-60.987.2177.4-70.8166.2000107.5Q185 S189Q185-L187 PolarHBondContact O-N 2.81Å; L187-S189 PolarHBondContact O-N 3.32Å
188S58.4Low66.2Low49 Ų4992.9 Ų92.934%0.34350%0.503SS..  trans-63.3139172.364.20000106.7P186 T190P186-S188 PolarHBondContact O-N 3.21Å; S188-T190 PolarHBondContact O-N 2.81Å
189S62.6Low67.1Low61 Ų6193.1 Ų93.143%0.42750%0.503SS..  trans-48142.6172.558.50000109.4L187 N191 F192L187-S189 PolarHBondContact O-N 3.32Å; S189-N191 PolarHBondContact O-N 2.78Å; S189-F192 WeakPolarHBondContact O-CB 3.48Å; S189-F192 PolarHBondContact O-N 2.82Å
190T64.5Low68Low146 Ų14690.8 Ų90.890%0.89649%0.49SS*.THydrogen-bonded Turntrans-50.3-21.3-173.928.50000114.1S188S188-T190 PolarHBondContact O-N 2.81Å
191N75.1Confident69.5Low90 Ų9085.6 Ų85.648%0.48147%0.466SS..THydrogen-bonded Turntrans-1090.8-179.6-67.2-18.1000115.4S189 L193 Y194 E195S189-N191 PolarHBondContact O-N 2.78Å; N191-L193 PolarHBondContact O-N 3.26Å; N191-Y194 PolarHBondContact O-N 3.22Å; N191-Y194 VanDerWaalsContact O-N 3.12Å; N191-E195 HydrophobicContact CB-CG 4.46Å; N191-E195 PolarHBondContact O-N 3.48Å
192F78.6Confident71.1Confident4 Ų484 Ų842%0.01845%0.449CS..Hα-helixtrans-55.2-46.8-172.1176.4-107000113.4S189 Y194 E195 L196 P255 T256 I262S189-F192 WeakPolarHBondContact O-CB 3.48Å; S189-F192 PolarHBondContact O-N 2.82Å; F192-Y194 VanDerWaalsContact C-N 3.32Å; F192-Y194 PolarHBondContact O-N 2.87Å; F192-E195 PolarHBondContact O-N 2.92Å; F192-L196 HydrophobicContact CE1-CD2 4.19Å; F192-L196 HydrophobicContact CZ-CD2 4.42Å; F192-L196 WeakPolarHBondContact O-CB 3.5Å; F192-L196 PolarHBondContact O-N 2.83Å; F192-P255 HydrophobicContact CE1-CB 4.23Å; F192-P255 HydrophobicContact CZ-CB 4.5Å; F192-T256 WeakPolarHBondContact CD2-O 3.42Å; F192-T256 VanDerWaalsContact CE2-O 3.26Å; F192-T256 WeakPolarHBondContact CE2-O 3.35Å; F192-I262 HydrophobicContact CD2-CD1 4.32Å; F192-I262 HydrophobicContact CE2-CD1 3.85Å; F192-I262 HydrophobicContact CE2-CG1 4.45Å
193L79.3Confident72.8Confident91 Ų9180.4 Ų80.448%0.47643%0.426SS..Hα-helixtrans-66.3-35.4-178.6-67.7179.7000112.7N191 D197 K252N191-L193 PolarHBondContact O-N 3.26Å; L193-D197 WeakPolarHBondContact O-CB 3.48Å; L193-D197 PolarHBondContact O-N 2.72Å; L193-K252 HydrophobicContact CD2-CD 4.47Å; L193-K252 HydrophobicContact CD2-CG 3.84Å
194Y83Confident74.3Confident160 Ų16075.6 Ų75.663%0.62740%0.404SS*.Hα-helixtrans-69.1-46.5176.6174-97.1000110.9N191 F192 D197 K198N191-Y194 PolarHBondContact O-N 3.22Å; N191-Y194 VanDerWaalsContact O-N 3.12Å; F192-Y194 VanDerWaalsContact C-N 3.32Å; F192-Y194 PolarHBondContact O-N 2.87Å; Y194-D197 PolarHBondContact O-N 3.3Å; Y194-K198 HydrophobicContact CE1-CD 4.49Å; Y194-K198 WeakPolarHBondContact O-CB 3.36Å; Y194-K198 PolarHBondContact O-N 3.42Å
195E82.7Confident75.9Confident59 Ų5974.2 Ų74.228%0.27639%0.387SS..Hα-helixtrans-64-41.4177.4-71-173.4-15600111.9N191 F192 K198 I199 T259N191-E195 HydrophobicContact CB-CG 4.46Å; N191-E195 PolarHBondContact O-N 3.48Å; F192-E195 PolarHBondContact O-N 2.92Å; E195-K198 PolarHBondContact O-N 2.65Å; E195-I199 HydrophobicContact CB-CD1 4.5Å; E195-I199 WeakPolarHBondContact O-CB 3.33Å; E195-I199 WeakPolarHBondContact O-CD1 3.41Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 2.87Å; E195-T259 HydrophobicContact CB-CG2 4.45Å; E195-T259 WeakPolarHBondContact OE2-CB 3.31Å; E195-T259 WeakPolarHBondContact OE2-CG2 3.46Å; E195-T259 PolarHBondContact OE2-OG1 3.12Å
196L83.2Confident77.3Confident2 Ų267.7 Ų67.71%0.0136%0.36CS..Hα-helixtrans-59.2-46.6173.9178.666.9000111.7F192 T200 F247 I248 I262F192-L196 HydrophobicContact CE1-CD2 4.19Å; F192-L196 HydrophobicContact CZ-CD2 4.42Å; F192-L196 WeakPolarHBondContact O-CB 3.5Å; F192-L196 PolarHBondContact O-N 2.83Å; L196-T200 HydrophobicContact CD1-CG2 3.99Å; L196-T200 WeakPolarHBondContact O-CB 3.42Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 2.84Å; L196-T200 PolarHBondContact O-OG1 3.01Å; L196-F247 HydrophobicContact CD1-CD1 4.32Å; L196-F247 HydrophobicContact CD1-CE1 3.73Å; L196-I248 HydrophobicContact CD2-CG1 4.39Å; L196-I248 HydrophobicContact CD2-CG2 4.31Å; L196-I248 HydrophobicContact CG-CG1 4.38Å; L196-I262 HydrophobicContact CD1-CD1 4.46Å; L196-I262 HydrophobicContact CD1-CG2 3.51Å
197D84.2Confident78.6Confident82 Ų8264.9 Ų64.944%0.43934%0.34SS..Hα-helixtrans-63.2-45.2179.6-162.479.2000111.1L193 Y194 T200 Q201 R244L193-D197 WeakPolarHBondContact O-CB 3.48Å; L193-D197 PolarHBondContact O-N 2.72Å; Y194-D197 PolarHBondContact O-N 3.3Å; D197-T200 PolarHBondContact O-OG1 3.12Å; D197-T200 VanDerWaalsContact O-OG1 3.06Å; D197-Q201 WeakPolarHBondContact O-CB 3.26Å; D197-Q201 PolarHBondContact O-N 3.44Å; D197-Q201 VanDerWaalsContact O-N 3.08Å; D197-R244 PolarHBondContact O-NH2 2.7Å; D197-R244 IonicContact OD1-CZ 3.77Å; D197-R244 IonicContact OD1-NH2 2.83Å; D197-R244 PolarHBondContact OD1-NH2 3.29Å; D197-R244 IonicContact OD2-NH2 2.85Å; D197-R244 PolarHBondContact OD2-NH2 3.29Å
198K86.8Confident80.2Confident114 Ų11459.4 Ų59.450%0.49631%0.309SS..Hα-helixtrans-62.6-53.4178.5-174.3-178.8177-175.20112.1Y194 E195 T200 Q201 D202Y194-K198 HydrophobicContact CE1-CD 4.49Å; Y194-K198 WeakPolarHBondContact O-CB 3.36Å; Y194-K198 PolarHBondContact O-N 3.42Å; E195-K198 PolarHBondContact O-N 2.65Å; K198-T200 PolarHBondContact O-N 3.4Å; K198-Q201 WeakPolarHBondContact O-CB 3.49Å; K198-Q201 PolarHBondContact O-N 2.81Å; K198-D202 PolarHBondContact O-N 2.99Å
199I85.1Confident81.5Confident38 Ų3861 Ų6120%0.19531%0.313CS..Hα-helixtrans-60.6-47.6-178.1-68.3166000110.4E195 Q201 D202 V203 I262 A263E195-I199 HydrophobicContact CB-CD1 4.5Å; E195-I199 WeakPolarHBondContact O-CB 3.33Å; E195-I199 WeakPolarHBondContact O-CD1 3.41Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 2.87Å; I199-Q201 VanDerWaalsContact C-N 3.26Å; I199-Q201 PolarHBondContact O-N 3.11Å; I199-D202 PolarHBondContact O-N 3.01Å; I199-V203 HydrophobicContact CG2-CG2 4.35Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.36Å; I199-V203 PolarHBondContact O-N 2.7Å; I199-I262 HydrophobicContact CB-CG2 4.28Å; I199-I262 HydrophobicContact CD1-CB 4.24Å; I199-I262 HydrophobicContact CD1-CD1 4.15Å; I199-I262 HydrophobicContact CD1-CG2 4.46Å; I199-I262 HydrophobicContact CG2-CB 4.35Å; I199-I262 HydrophobicContact CG2-CG2 3.93Å; I199-A263 HydrophobicContact CG2-CB 4Å
200T85.3Confident82.5Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-64.9-30.9-179.956.60000112.5L196 D197 K198 L204 R244 F247L196-T200 HydrophobicContact CD1-CG2 3.99Å; L196-T200 WeakPolarHBondContact O-CB 3.42Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 2.84Å; L196-T200 PolarHBondContact O-OG1 3.01Å; D197-T200 PolarHBondContact O-OG1 3.12Å; D197-T200 VanDerWaalsContact O-OG1 3.06Å; K198-T200 PolarHBondContact O-N 3.4Å; T200-L204 VanDerWaalsContact O-CB 3.31Å; T200-L204 WeakPolarHBondContact O-CB 3.33Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.15Å; T200-R244 PolarHBondContact OG1-NE 2.82Å; T200-F247 HydrophobicContact CG2-CD1 3.58Å; T200-F247 HydrophobicContact CG2-CE1 3.68Å
201Q86.1Confident83.2Confident64 Ų6453.2 Ų53.230%0.29926%0.264SS..Hα-helixtrans-69.5-42.2173.9-175.262.61500111.7D197 K198 I199 L204 M205 R244D197-Q201 WeakPolarHBondContact O-CB 3.26Å; D197-Q201 PolarHBondContact O-N 3.44Å; D197-Q201 VanDerWaalsContact O-N 3.08Å; K198-Q201 WeakPolarHBondContact O-CB 3.49Å; K198-Q201 PolarHBondContact O-N 2.81Å; I199-Q201 VanDerWaalsContact C-N 3.26Å; I199-Q201 PolarHBondContact O-N 3.11Å; Q201-L204 PolarHBondContact O-N 2.72Å; Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 2.89Å; Q201-R244 VanDerWaalsContact OE1-CZ 3.28Å
202D84.8Confident83.6Confident80 Ų8055.7 Ų55.743%0.42827%0.27SS..Hα-helixtrans-64.3-42.4178-68.3-20.4000111.3K198 I199 L204 M205 A206K198-D202 PolarHBondContact O-N 2.99Å; I199-D202 PolarHBondContact O-N 3.01Å; D202-L204 VanDerWaalsContact C-N 3.35Å; D202-L204 PolarHBondContact O-N 3.22Å; D202-M205 PolarHBondContact O-N 3.27Å; D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.34Å
203V83.8Confident83.9Confident2 Ų261.6 Ų61.61%0.01231%0.307CS..Hα-helixtrans-58.3-47173.7171.10000111.3I199 M205 A206 I207 V222 A263 D266I199-V203 HydrophobicContact CG2-CG2 4.35Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.36Å; I199-V203 PolarHBondContact O-N 2.7Å; V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 2.9Å; V203-A206 PolarHBondContact O-N 3.23Å; V203-I207 HydrophobicContact CG1-CD1 3.76Å; V203-I207 HydrophobicContact CG1-CG1 4.43Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 3.3Å; V203-V222 HydrophobicContact CB-CG1 3.81Å; V203-V222 HydrophobicContact CG1-CG1 3.7Å; V203-V222 HydrophobicContact CG2-CG1 3.37Å; V203-A263 HydrophobicContact CG2-CB 4.48Å; V203-D266 WeakPolarHBondContact CG1-OD2 3.21Å
204L85.6Confident84Confident7 Ų758.5 Ų58.54%0.03729%0.293CS..Hα-helixtrans-61.4-43.2-178.2-149.9171.2000111.2T200 Q201 D202 F208 M237 L240 R241 R244T200-L204 VanDerWaalsContact O-CB 3.31Å; T200-L204 WeakPolarHBondContact O-CB 3.33Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.15Å; Q201-L204 PolarHBondContact O-N 2.72Å; D202-L204 VanDerWaalsContact C-N 3.35Å; D202-L204 PolarHBondContact O-N 3.22Å; L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 3.12Å; L204-M237 HydrophobicContact CD2-CE 4.37Å; L204-M237 HydrophobicContact CD2-SD 3.53Å; L204-M237 VanDerWaalsContact CD2-SD 3.53Å; L204-L240 HydrophobicContact CD1-CB 4.25Å; L204-L240 HydrophobicContact CD2-CB 3.37Å; L204-L240 HydrophobicContact CD2-CD1 3.75Å; L204-L240 HydrophobicContact CD2-CG 4.13Å; L204-L240 HydrophobicContact CG-CB 3.75Å; L204-R241 HydrophobicContact CD1-CG 4.27Å; L204-R244 HydrophobicContact CD1-CB 3.89Å; L204-R244 HydrophobicContact CD1-CG 4.36Å
205M85.2Confident83.9Confident84 Ų8455.2 Ų55.241%0.41429%0.289SS..Hα-helixtrans-68.7-37.8177-67.3-64.6-99.300112.4Q201 D202 V203 F208 N209 M237Q201-M205 WeakPolarHBondContact O-CG 3.33Å; Q201-M205 PolarHBondContact O-N 2.89Å; D202-M205 PolarHBondContact O-N 3.27Å; V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 2.9Å; M205-F208 PolarHBondContact O-N 3.29Å; M205-N209 WeakPolarHBondContact O-CB 3.5Å; M205-N209 PolarHBondContact O-N 2.79Å; M205-N209 PolarHBondContact O-ND2 3.07Å; M205-M237 HydrophobicContact SD-CE 4.24Å
206A83.8Confident83.7Confident24 Ų2456.5 Ų56.520%0.19830%0.302CS..Hα-helixtrans-62.5-47.2175.800000111.6D202 V203 N209 A210 P223D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.34Å; V203-A206 PolarHBondContact O-N 3.23Å; A206-N209 PolarHBondContact O-N 3.34Å; A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.95Å; A206-P223 HydrophobicContact CB-CG 4.32Å
207I82.2Confident83.3Confident25 Ų2558.5 Ų58.513%0.12832%0.324CS..Hα-helixtrans-62.6-47.2177.3-66.7170.1000110.7V203 N209 A210 Q211 V222 L240V203-I207 HydrophobicContact CG1-CD1 3.76Å; V203-I207 HydrophobicContact CG1-CG1 4.43Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 3.3Å; I207-N209 VanDerWaalsContact C-N 3.32Å; I207-N209 PolarHBondContact O-N 2.94Å; I207-A210 PolarHBondContact O-N 2.99Å; I207-Q211 HydrophobicContact CG2-CG 4.48Å; I207-Q211 VanDerWaalsContact O-CG 3.3Å; I207-Q211 WeakPolarHBondContact O-CG 3.39Å; I207-Q211 PolarHBondContact O-N 2.92Å; I207-V222 HydrophobicContact CG1-CG2 4.23Å; I207-L240 HydrophobicContact CG2-CD1 4.44Å; I207-L240 HydrophobicContact CG2-CD2 4.16Å
208F84.2Confident82.9Confident66 Ų6657.7 Ų57.729%0.28932%0.319SS..Hα-helixtrans-63.1-36.8-178.3-176.2-104.4000112.9L204 M205 M237 L240L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 3.12Å; M205-F208 PolarHBondContact O-N 3.29Å; F208-M237 HydrophobicContact CB-CE 4.15Å; F208-M237 HydrophobicContact CD1-CE 3.69Å; F208-M237 HydrophobicContact CD2-CE 3.91Å; F208-M237 HydrophobicContact CE1-CE 4.01Å; F208-M237 HydrophobicContact CE2-CB 4.21Å; F208-M237 HydrophobicContact CE2-CE 4.22Å; F208-M237 HydrophobicContact CG-CE 3.63Å; F208-M237 HydrophobicContact CZ-CE 4.26Å; F208-L240 HydrophobicContact CB-CD1 4.16Å; F208-L240 HydrophobicContact CD2-CD1 4.3Å
209N85.5Confident82.5Confident81 Ų8157.3 Ų57.343%0.43332%0.322SS..Hα-helixtrans-75.2-41.6176.6-75.2-34.9000112.2M205 A206 I207 Q211 K212M205-N209 WeakPolarHBondContact O-CB 3.5Å; M205-N209 PolarHBondContact O-N 2.79Å; M205-N209 PolarHBondContact O-ND2 3.07Å; A206-N209 PolarHBondContact O-N 3.34Å; I207-N209 VanDerWaalsContact C-N 3.32Å; I207-N209 PolarHBondContact O-N 2.94Å; N209-Q211 VanDerWaalsContact C-N 3.26Å; N209-Q211 PolarHBondContact O-N 3.36Å; N209-K212 WeakPolarHBondContact O-CB 3.37Å; N209-K212 PolarHBondContact O-N 3.37Å; N209-K212 VanDerWaalsContact O-N 3.13Å; N209-K212 PolarHBondContact OD1-NZ 3.27Å; N209-K212 VanDerWaalsContact OD1-NZ 3.11Å
210A82.9Confident82.2Confident21 Ų2155.9 Ų55.917%0.17432%0.315CS..Hα-helixtrans-62.7-33.617800000112.3A206 I207 K212 T213 S214 I220A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 2.95Å; I207-A210 PolarHBondContact O-N 2.99Å; A210-K212 PolarHBondContact O-N 2.88Å; A210-K212 VanDerWaalsContact O-N 3.12Å; A210-T213 PolarHBondContact O-N 3.15Å; A210-T213 VanDerWaalsContact O-N 3.14Å; A210-T213 PolarHBondContact O-OG1 3.06Å; A210-S214 VanDerWaalsContact O-CB 3.24Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.39Å; A210-S214 PolarHBondContact O-OG 2.84Å; A210-I220 HydrophobicContact CB-CB 4.36Å; A210-I220 HydrophobicContact CB-CD1 3.81Å; A210-I220 HydrophobicContact CB-CG1 3.92Å; A210-I220 HydrophobicContact CB-CG2 3.52Å
211Q80.3Confident81.9Confident23 Ų2359.8 Ų59.811%0.10734%0.342CS..THydrogen-bonded Turntrans-61.2-16.9175.2-80.4175.7-27.300114.8I207 N209 T213 L231 V235I207-Q211 HydrophobicContact CG2-CG 4.48Å; I207-Q211 VanDerWaalsContact O-CG 3.3Å; I207-Q211 WeakPolarHBondContact O-CG 3.39Å; I207-Q211 PolarHBondContact O-N 2.92Å; N209-Q211 VanDerWaalsContact C-N 3.26Å; N209-Q211 PolarHBondContact O-N 3.36Å; Q211-T213 VanDerWaalsContact C-N 3.33Å; Q211-L231 HydrophobicContact CG-CD1 3.47Å; Q211-L231 VanDerWaalsContact CG-CD1 3.47Å; Q211-L231 HydrophobicContact CG-CD2 4.13Å; Q211-L231 HydrophobicContact CG-CG 4.48Å; Q211-L231 VanDerWaalsContact NE2-CD1 3.34Å; Q211-V235 PolarHBondContact OE1-O 2.87Å
212K83.9Confident81.6Confident143 Ų14357.1 Ų57.162%0.62233%0.33SS*.THydrogen-bonded Turntrans-75.7-24.3176.8-63.7173.6-179.1163.70112.8N209 A210N209-K212 WeakPolarHBondContact O-CB 3.37Å; N209-K212 PolarHBondContact O-N 3.37Å; N209-K212 VanDerWaalsContact O-N 3.13Å; N209-K212 PolarHBondContact OD1-NZ 3.27Å; N209-K212 VanDerWaalsContact OD1-NZ 3.11Å; A210-K212 PolarHBondContact O-N 2.88Å; A210-K212 VanDerWaalsContact O-N 3.12Å
213T84.9Confident80.9Confident127 Ų12757.1 Ų57.178%0.77933%0.334SS*.THydrogen-bonded Turntrans-123.80.3-173.357.60000113.1A210 Q211A210-T213 PolarHBondContact O-N 3.15Å; A210-T213 VanDerWaalsContact O-N 3.14Å; A210-T213 PolarHBondContact O-OG1 3.06Å; Q211-T213 VanDerWaalsContact C-N 3.33Å
214S81.2Confident80.3Confident26 Ų2660.1 Ų60.118%0.18237%0.366CS..  trans-117.3150.9-176.9-44.30000110.7A210 D218A210-S214 VanDerWaalsContact O-CB 3.24Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.39Å; A210-S214 PolarHBondContact O-OG 2.84Å; S214-D218 WeakPolarHBondContact CA-OD2 3.36Å; S214-D218 WeakPolarHBondContact CB-OD2 3.42Å
215V80.6Confident79.8Confident92 Ų9260.9 Ų60.956%0.55837%0.373SS*.  trans-108.8161.2177.1-67.70000111.3G217 D218V215-G217 PolarHBondContact O-N 3.45Å; V215-D218 WeakPolarHBondContact CG2-OD2 3.31Å; V215-D218 PolarHBondContact N-OD2 3.49Å; V215-D218 WeakPolarHBondContact O-CB 3.43Å; V215-D218 PolarHBondContact O-N 3.46Å; V215-D218 VanDerWaalsContact O-N 3.07Å
216P78.7Confident79.2Confident85 Ų8562.7 Ų62.755%0.55239%0.389SS*.THydrogen-bonded Turntrans-53.5126.1172.8-28.237000112.2L231P216-L231 CarbonylContact C-O 3.57Å; P216-L231 WeakPolarHBondContact CA-O 3.44Å
217G73.6Confident78.7Confident44 Ų4466 Ų6645%0.45440%0.401SS..THydrogen-bonded Turntrans109.1-17.7-172.800000113.9V215 L231V215-G217 PolarHBondContact O-N 3.45Å; G217-L231 PolarHBondContact N-O 2.76Å
218D77.3Confident78.4Confident66 Ų6670.5 Ų70.535%0.35342%0.419SS..  trans-74.8145.9-179.5-71.9-20.8000112.8S214 V215 E230 L231S214-D218 WeakPolarHBondContact CA-OD2 3.36Å; S214-D218 WeakPolarHBondContact CB-OD2 3.42Å; V215-D218 WeakPolarHBondContact CG2-OD2 3.31Å; V215-D218 PolarHBondContact N-OD2 3.49Å; V215-D218 WeakPolarHBondContact O-CB 3.43Å; V215-D218 PolarHBondContact O-N 3.46Å; V215-D218 VanDerWaalsContact O-N 3.07Å; D218-E230 WeakPolarHBondContact O-CA 3.26Å; D218-L231 PolarHBondContact O-N 3.17Å
219L78.8Confident78.1Confident106 Ų10668 Ų6856%0.55541%0.409SS*.EExtended strand (participates in β ladder)trans-95.6108.6177.6-67.2175.2000111.1K228 E230L219-K228 HydrophobicContact CB-CB 4Å; L219-K228 HydrophobicContact CB-CD 3.89Å; L219-K228 HydrophobicContact CD1-CD 4.46Å; L219-K228 HydrophobicContact CD2-CB 4.36Å; L219-E230 HydrophobicContact CD2-CB 3.85Å; L219-E230 HydrophobicContact CD2-CG 4.26Å
220I78.8Confident77.7Confident8 Ų869.5 Ų69.54%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-86.8129.4179.9-59.5170.9000110A210 V222 K228 V229 L231A210-I220 HydrophobicContact CB-CB 4.36Å; A210-I220 HydrophobicContact CB-CD1 3.81Å; A210-I220 HydrophobicContact CB-CG1 3.92Å; A210-I220 HydrophobicContact CB-CG2 3.52Å; I220-V222 HydrophobicContact CG2-CG2 4.47Å; I220-K228 CarbonylContact O-C 3.59Å; I220-K228 WeakPolarHBondContact O-CA 3.46Å; I220-V229 PolarHBondContact N-O 3.25Å; I220-V229 PolarHBondContact O-N 3.37Å; I220-L231 HydrophobicContact CD1-CB 3.95Å; I220-L231 HydrophobicContact CD1-CD1 3.82Å; I220-L231 HydrophobicContact CD1-CG 4.3Å
221S77.9Confident77.4Confident81 Ų8168.9 Ų68.957%0.56641%0.407SS*.  trans-88.3129.5172-56.90000109.8
222V79.5Confident77.2Confident9 Ų972.7 Ų72.76%0.05543%0.432CS..  trans-111.2137.9-177.9176.70000109.2V203 I207 I220 G224 A225 V229 T267V203-V222 HydrophobicContact CB-CG1 3.81Å; V203-V222 HydrophobicContact CG1-CG1 3.7Å; V203-V222 HydrophobicContact CG2-CG1 3.37Å; I207-V222 HydrophobicContact CG1-CG2 4.23Å; I220-V222 HydrophobicContact CG2-CG2 4.47Å; V222-G224 PolarHBondContact O-N 3.4Å; V222-A225 HydrophobicContact CB-CB 4.01Å; V222-A225 HydrophobicContact CG1-CB 4.43Å; V222-A225 PolarHBondContact O-N 3.07Å; V222-A225 VanDerWaalsContact O-N 3.13Å; V222-V229 HydrophobicContact CG2-CG2 3.97Å; V222-T267 HydrophobicContact CB-CG2 4.11Å; V222-T267 HydrophobicContact CG1-CG2 4.3Å; V222-T267 HydrophobicContact CG2-CG2 3.98Å
223P70.6Confident76.9Confident79 Ų7972 Ų7251%0.51343%0.426SS..THydrogen-bonded Turntrans-55.3128.7177.1-25.434.6000112.3A206 A225A206-P223 HydrophobicContact CB-CG 4.32Å; P223-A225 PolarHBondContact O-N 3.01Å
224G70.6Confident76.5Confident65 Ų6570.8 Ų70.867%0.6742%0.418SS*.THydrogen-bonded Turntrans77-3.1178.900000115.4V222V222-G224 PolarHBondContact O-N 3.4Å
225A75.1Confident76.5Confident23 Ų2370.7 Ų70.719%0.1942%0.416CS..  trans-93.7135.6173.300000111V222 P223 A263 N264 T267V222-A225 HydrophobicContact CB-CB 4.01Å; V222-A225 HydrophobicContact CG1-CB 4.43Å; V222-A225 PolarHBondContact O-N 3.07Å; V222-A225 VanDerWaalsContact O-N 3.13Å; P223-A225 PolarHBondContact O-N 3.01Å; A225-A263 HydrophobicContact CB-CB 4.18Å; A225-N264 WeakPolarHBondContact CA-OD1 3.18Å; A225-N264 WeakPolarHBondContact CB-OD1 3.47Å; A225-T267 HydrophobicContact CB-CG2 4.06Å
226T72.8Confident76.6Confident123 Ų12371 Ų7176%0.75542%0.415SS*.SBendtrans-83.6-24.9168.449.50000111.6N264T226-N264 PolarHBondContact N-OD1 3.15Å; T226-N264 PolarHBondContact OG1-ND2 3.13Å; T226-N264 PolarHBondContact OG1-OD1 3.34Å
227E74Confident76.8Confident94 Ų9469 Ų6944%0.43940%0.399SS..SBendtrans-91.7136.8174.1-69.1-162.6-164.600112N264 K271E227-N264 PolarHBondContact N-OD1 3.46Å; E227-K271 IonicContact OE2-NZ 2.91Å; E227-K271 PolarHBondContact OE2-NZ 2.88Å
228K76.2Confident77.1Confident118 Ų11870.1 Ų70.151%0.51340%0.404SS..PPolyproline II helixtrans-82.2144.7170.4-62.2-175.2-179.4-179.20110.6L219 I220L219-K228 HydrophobicContact CB-CB 4Å; L219-K228 HydrophobicContact CB-CD 3.89Å; L219-K228 HydrophobicContact CD1-CD 4.46Å; L219-K228 HydrophobicContact CD2-CB 4.36Å; I220-K228 CarbonylContact O-C 3.59Å; I220-K228 WeakPolarHBondContact O-CA 3.46Å
229V76.2Confident77.2Confident14 Ų1469.3 Ų69.39%0.08540%0.398CS..EExtended strand (participates in β ladder)trans-92.8119.8176.6-1800000109.2I220 V222 L231 T267I220-V229 PolarHBondContact N-O 3.25Å; I220-V229 PolarHBondContact O-N 3.37Å; V222-V229 HydrophobicContact CG2-CG2 3.97Å; V229-L231 PolarHBondContact O-N 2.76Å; V229-T267 VanDerWaalsContact CG2-CB 3.44Å; V229-T267 HydrophobicContact CG2-CG2 3.3Å
230E78.4Confident77.3Confident113 Ų11364.9 Ų64.953%0.52838%0.375SS..EExtended strand (participates in β ladder)trans-75121.4169.6-169.2-177.1164.500110.1D218 L219 T232D218-E230 WeakPolarHBondContact O-CA 3.26Å; L219-E230 HydrophobicContact CD2-CB 3.85Å; L219-E230 HydrophobicContact CD2-CG 4.26Å; E230-T232 PolarHBondContact O-N 3.29Å
231L75.8Confident77.5Confident7 Ų771.5 Ų71.54%0.03740%0.399CS..  trans-76.9103175.7-17177000108.9Q211 P216 G217 D218 I220 V229 R233Q211-L231 HydrophobicContact CG-CD1 3.47Å; Q211-L231 VanDerWaalsContact CG-CD1 3.47Å; Q211-L231 HydrophobicContact CG-CD2 4.13Å; Q211-L231 HydrophobicContact CG-CG 4.48Å; Q211-L231 VanDerWaalsContact NE2-CD1 3.34Å; P216-L231 CarbonylContact C-O 3.57Å; P216-L231 WeakPolarHBondContact CA-O 3.44Å; G217-L231 PolarHBondContact N-O 2.76Å; D218-L231 PolarHBondContact O-N 3.17Å; I220-L231 HydrophobicContact CD1-CB 3.95Å; I220-L231 HydrophobicContact CD1-CD1 3.82Å; I220-L231 HydrophobicContact CD1-CG 4.3Å; V229-L231 PolarHBondContact O-N 2.76Å; L231-R233 WeakPolarHBondContact CD1-O 3.45Å
232T76.2Confident77.6Confident103 Ų10373 Ų7363%0.63240%0.396SS*.  trans-85.1-26.1177.453.10000113.2E230E230-T232 PolarHBondContact O-N 3.29Å
233R78.3Confident77.7Confident129 Ų12974.1 Ų74.149%0.48740%0.401SS..SBendtrans-158.7162.1177.765.8-179.1-171.1174.85.3110.3L231 V235 E239L231-R233 WeakPolarHBondContact CD1-O 3.45Å; R233-V235 HydrophobicContact CG-CG2 4.26Å; R233-E239 IonicContact CZ-OE1 3.86Å; R233-E239 IonicContact NH2-OE1 2.72Å; R233-E239 PolarHBondContact NH2-OE1 3.25Å; R233-E239 IonicContact NH2-OE2 3.57Å
234T76.6Confident78.2Confident101 Ų10172.2 Ų72.262%0.6238%0.384SS*.  trans-70.3137.1168.252.50000110
235V80.3Confident78.6Confident24 Ų2477.6 Ų77.615%0.14538%0.384CS..  trans-125.2128.6-176.3-172.70000108.1Q211 R233 E239 L240Q211-V235 PolarHBondContact OE1-O 2.87Å; R233-V235 HydrophobicContact CG-CG2 4.26Å; V235-E239 HydrophobicContact CG1-CB 3.67Å; V235-E239 HydrophobicContact CG1-CG 3.64Å; V235-L240 HydrophobicContact CB-CD2 4.19Å; V235-L240 HydrophobicContact CB-CG 4.23Å; V235-L240 HydrophobicContact CG1-CD2 3.86Å; V235-L240 HydrophobicContact CG1-CG 3.78Å
236N83Confident78.8Confident98 Ų9881.1 Ų81.152%0.52440%0.397SS..  trans-78.6162.8-179.870.336.4000112.1A238 E239 L240N236-A238 PolarHBondContact O-N 2.92Å; N236-A238 WeakPolarHBondContact OD1-CB 3.33Å; N236-A238 PolarHBondContact OD1-N 3.06Å; N236-A238 VanDerWaalsContact OD1-N 3.15Å; N236-E239 PolarHBondContact O-N 3.31Å; N236-E239 VanDerWaalsContact O-N 3.17Å; N236-E239 WeakPolarHBondContact OD1-CB 3.43Å; N236-E239 PolarHBondContact OD1-N 2.83Å; N236-L240 PolarHBondContact O-N 3.42Å
237M82.6Confident79.2Confident43 Ų4375.7 Ų75.721%0.21236%0.363CS..Hα-helixtrans-60-30.1-178.5-176.161.67900113L204 M205 F208 R241L204-M237 HydrophobicContact CD2-CE 4.37Å; L204-M237 HydrophobicContact CD2-SD 3.53Å; L204-M237 VanDerWaalsContact CD2-SD 3.53Å; M205-M237 HydrophobicContact SD-CE 4.24Å; F208-M237 HydrophobicContact CB-CE 4.15Å; F208-M237 HydrophobicContact CD1-CE 3.69Å; F208-M237 HydrophobicContact CD2-CE 3.91Å; F208-M237 HydrophobicContact CE1-CE 4.01Å; F208-M237 HydrophobicContact CE2-CB 4.21Å; F208-M237 HydrophobicContact CE2-CE 4.22Å; F208-M237 HydrophobicContact CG-CE 3.63Å; F208-M237 HydrophobicContact CZ-CE 4.26Å; M237-R241 WeakPolarHBondContact O-CB 3.47Å; M237-R241 VanDerWaalsContact O-CG 3.24Å; M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.39Å; M237-R241 HydrophobicContact SD-CG 4.39Å
238A80.6Confident79.5Confident69 Ų6972.5 Ų72.557%0.5735%0.348SS*.Hα-helixtrans-69.5-41.2178.300000112.1N236 K242N236-A238 PolarHBondContact O-N 2.92Å; N236-A238 WeakPolarHBondContact OD1-CB 3.33Å; N236-A238 PolarHBondContact OD1-N 3.06Å; N236-A238 VanDerWaalsContact OD1-N 3.15Å; A238-K242 PolarHBondContact O-N 2.89Å
239E79.6Confident79.6Confident48 Ų4869.9 Ų69.922%0.22435%0.345CS..Hα-helixtrans-69-43.3176.1-176.5174-17900111.2R233 V235 N236 R241 K242 L243R233-E239 IonicContact CZ-OE1 3.86Å; R233-E239 IonicContact NH2-OE1 2.72Å; R233-E239 PolarHBondContact NH2-OE1 3.25Å; R233-E239 IonicContact NH2-OE2 3.57Å; V235-E239 HydrophobicContact CG1-CB 3.67Å; V235-E239 HydrophobicContact CG1-CG 3.64Å; N236-E239 PolarHBondContact O-N 3.31Å; N236-E239 VanDerWaalsContact O-N 3.17Å; N236-E239 WeakPolarHBondContact OD1-CB 3.43Å; N236-E239 PolarHBondContact OD1-N 2.83Å; E239-R241 VanDerWaalsContact C-N 3.35Å; E239-R241 PolarHBondContact O-N 2.92Å; E239-K242 WeakPolarHBondContact O-CA 3.04Å; E239-K242 WeakPolarHBondContact O-CB 3.28Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-L243 HydrophobicContact CG-CD1 4.42Å; E239-L243 WeakPolarHBondContact O-CG 3.38Å; E239-L243 PolarHBondContact O-N 3.06Å
240L80.8Confident79.5Confident13 Ų1375 Ų757%0.06836%0.364CS..Hα-helixtrans-59.8-43.3175.2-69.6172.7000112L204 I207 F208 V235 N236 K242 L243 R244L204-L240 HydrophobicContact CD1-CB 4.25Å; L204-L240 HydrophobicContact CD2-CB 3.37Å; L204-L240 HydrophobicContact CD2-CD1 3.75Å; L204-L240 HydrophobicContact CD2-CG 4.13Å; L204-L240 HydrophobicContact CG-CB 3.75Å; I207-L240 HydrophobicContact CG2-CD1 4.44Å; I207-L240 HydrophobicContact CG2-CD2 4.16Å; F208-L240 HydrophobicContact CB-CD1 4.16Å; F208-L240 HydrophobicContact CD2-CD1 4.3Å; V235-L240 HydrophobicContact CB-CD2 4.19Å; V235-L240 HydrophobicContact CB-CG 4.23Å; V235-L240 HydrophobicContact CG1-CD2 3.86Å; V235-L240 HydrophobicContact CG1-CG 3.78Å; N236-L240 PolarHBondContact O-N 3.42Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 2.86Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-R244 PolarHBondContact O-N 2.51Å
241R81.6Confident79.4Confident147 Ų14770.1 Ų70.156%0.55534%0.342SS*.Hα-helixtrans-63.7-31.9173.4-74.2173.8-178.5171.30.5112.9L204 M237 E239 R245L204-R241 HydrophobicContact CD1-CG 4.27Å; M237-R241 WeakPolarHBondContact O-CB 3.47Å; M237-R241 VanDerWaalsContact O-CG 3.24Å; M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.39Å; M237-R241 HydrophobicContact SD-CG 4.39Å; E239-R241 VanDerWaalsContact C-N 3.35Å; E239-R241 PolarHBondContact O-N 2.92Å; R241-R245 WeakPolarHBondContact O-CG 3.39Å; R241-R245 PolarHBondContact O-N 3.49Å
242K81.4Confident79.2Confident113 Ų11375.3 Ų75.349%0.49136%0.364SS..Hα-helixtrans-68.7-45.8174.4-175.7179.7177.3177.40111A238 E239 L240 R245 Q246A238-K242 PolarHBondContact O-N 2.89Å; E239-K242 WeakPolarHBondContact O-CA 3.04Å; E239-K242 WeakPolarHBondContact O-CB 3.28Å; E239-K242 PolarHBondContact O-N 3.29Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 2.86Å; K242-R245 PolarHBondContact O-N 3.46Å; K242-Q246 WeakPolarHBondContact O-CG 3.48Å; K242-Q246 PolarHBondContact O-N 2.99Å; K242-Q246 VanDerWaalsContact O-N 3.1Å
243L80.6Confident78.8Confident33 Ų3376.4 Ų76.417%0.17336%0.364CS..Hα-helixtrans-61.2-45.2176.6-68.2170.8000111.3E239 L240 R245 Q246 F247 V269E239-L243 HydrophobicContact CG-CD1 4.42Å; E239-L243 WeakPolarHBondContact O-CG 3.38Å; E239-L243 PolarHBondContact O-N 3.06Å; L240-L243 PolarHBondContact O-N 3.12Å; L243-R245 PolarHBondContact O-N 3.19Å; L243-Q246 WeakPolarHBondContact O-CB 3.19Å; L243-Q246 PolarHBondContact O-N 3.4Å; L243-Q246 VanDerWaalsContact O-N 3.11Å; L243-F247 PolarHBondContact O-N 2.86Å; L243-V269 HydrophobicContact CD2-CG1 4.18Å
244R82.5Confident78.3Confident39 Ų3975 Ų7515%0.14736%0.363CS..Hα-helixtrans-55.2-46.5173.9176.9172.7179.8-130-4.4112.5D197 T200 Q201 L204 L240 Q246 F247 I248D197-R244 PolarHBondContact O-NH2 2.7Å; D197-R244 IonicContact OD1-CZ 3.77Å; D197-R244 IonicContact OD1-NH2 2.83Å; D197-R244 PolarHBondContact OD1-NH2 3.29Å; D197-R244 IonicContact OD2-NH2 2.85Å; D197-R244 PolarHBondContact OD2-NH2 3.29Å; T200-R244 PolarHBondContact OG1-NE 2.82Å; Q201-R244 VanDerWaalsContact OE1-CZ 3.28Å; L204-R244 HydrophobicContact CD1-CB 3.89Å; L204-R244 HydrophobicContact CD1-CG 4.36Å; L240-R244 PolarHBondContact O-N 2.51Å; R244-Q246 VanDerWaalsContact C-N 3.33Å; R244-Q246 PolarHBondContact O-N 3.26Å; R244-F247 PolarHBondContact O-N 2.85Å; R244-I248 HydrophobicContact CG-CD1 3.75Å; R244-I248 HydrophobicContact CG-CG1 4.38Å; R244-I248 WeakPolarHBondContact O-CB 3.31Å; R244-I248 VanDerWaalsContact O-CG1 3.31Å; R244-I248 WeakPolarHBondContact O-CG1 2.98Å; R244-I248 PolarHBondContact O-N 3.25Å
245R79Confident77.9Confident177 Ų17772.1 Ų72.167%0.66835%0.345SS*.Hα-helixtrans-61.5-40.3176.8-77.4-173.7-69.9178.5-1.6112.6R241 K242 L243 S249R241-R245 WeakPolarHBondContact O-CG 3.39Å; R241-R245 PolarHBondContact O-N 3.49Å; K242-R245 PolarHBondContact O-N 3.46Å; L243-R245 PolarHBondContact O-N 3.19Å; R245-S249 WeakPolarHBondContact O-CB 3.05Å; R245-S249 PolarHBondContact O-N 3.07Å
246Q79Confident77.2Confident98 Ų9873 Ų7346%0.45835%0.35SS..Hα-helixtrans-64.9-43.6176.6-70.3176.4-25.700111.3K242 L243 R244 S249 Y250K242-Q246 WeakPolarHBondContact O-CG 3.48Å; K242-Q246 PolarHBondContact O-N 2.99Å; K242-Q246 VanDerWaalsContact O-N 3.1Å; L243-Q246 WeakPolarHBondContact O-CB 3.19Å; L243-Q246 PolarHBondContact O-N 3.4Å; L243-Q246 VanDerWaalsContact O-N 3.11Å; R244-Q246 VanDerWaalsContact C-N 3.33Å; R244-Q246 PolarHBondContact O-N 3.26Å; Q246-S249 PolarHBondContact O-N 2.81Å; Q246-Y250 PolarHBondContact O-N 2.89Å
247F79.5Confident76.1Confident9 Ų977.3 Ų77.34%0.03937%0.368CS..Hα-helixtrans-65.1-43.8178-178.9-103.5000112.9L196 T200 L243 R244 S249 Y250 S251 I262 I265 D266 V269L196-F247 HydrophobicContact CD1-CD1 4.32Å; L196-F247 HydrophobicContact CD1-CE1 3.73Å; T200-F247 HydrophobicContact CG2-CD1 3.58Å; T200-F247 HydrophobicContact CG2-CE1 3.68Å; L243-F247 PolarHBondContact O-N 2.86Å; R244-F247 PolarHBondContact O-N 2.85Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.42Å; F247-Y250 PolarHBondContact O-N 3.26Å; F247-S251 WeakPolarHBondContact O-CB 3.43Å; F247-S251 PolarHBondContact O-N 3.48Å; F247-S251 PolarHBondContact O-OG 3.27Å; F247-I262 HydrophobicContact CE1-CG2 4.17Å; F247-I262 HydrophobicContact CZ-CG2 4.49Å; F247-I265 HydrophobicContact CE2-CB 3.97Å; F247-I265 HydrophobicContact CE2-CG2 3.61Å; F247-I265 HydrophobicContact CZ-CB 4.04Å; F247-I265 HydrophobicContact CZ-CG2 4.13Å; F247-D266 HydrophobicContact CD1-CB 4.23Å; F247-D266 HydrophobicContact CE1-CB 3.88Å; F247-D266 HydrophobicContact CE2-CB 4.24Å; F247-D266 HydrophobicContact CZ-CB 3.89Å; F247-V269 HydrophobicContact CB-CG2 4.49Å; F247-V269 HydrophobicContact CD2-CG2 3.7Å; F247-V269 HydrophobicContact CE2-CG2 4.39Å; F247-V269 HydrophobicContact CG-CG2 4.39Å
248I80.6Confident75.3Confident26 Ų2681.9 Ų81.913%0.13339%0.386CS..Hα-helixtrans-61.7-43.1175.5-69.7170.2000110.5L196 R244 Y250 S251 K252L196-I248 HydrophobicContact CD2-CG1 4.39Å; L196-I248 HydrophobicContact CD2-CG2 4.31Å; L196-I248 HydrophobicContact CG-CG1 4.38Å; R244-I248 HydrophobicContact CG-CD1 3.75Å; R244-I248 HydrophobicContact CG-CG1 4.38Å; R244-I248 WeakPolarHBondContact O-CB 3.31Å; R244-I248 VanDerWaalsContact O-CG1 3.31Å; R244-I248 WeakPolarHBondContact O-CG1 2.98Å; R244-I248 PolarHBondContact O-N 3.25Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 3.45Å; I248-S251 PolarHBondContact O-N 3.31Å; I248-K252 HydrophobicContact CG2-CD 4.25Å; I248-K252 VanDerWaalsContact O-CG 3.29Å; I248-K252 WeakPolarHBondContact O-CG 3.48Å; I248-K252 PolarHBondContact O-N 3.15Å
249S78.1Confident74.4Confident64 Ų6480.7 Ų80.745%0.44837%0.372SS..Hα-helixtrans-60.9-44176.5-170.70000111.8R245 Q246 F247 K252 M253R245-S249 WeakPolarHBondContact O-CB 3.05Å; R245-S249 PolarHBondContact O-N 3.07Å; Q246-S249 PolarHBondContact O-N 2.81Å; F247-S249 VanDerWaalsContact C-N 3.33Å; F247-S249 PolarHBondContact O-N 3.42Å; S249-K252 PolarHBondContact O-N 3.11Å; S249-M253 PolarHBondContact O-N 3.2Å
250Y75.8Confident73.5Confident121 Ų12181.1 Ų81.148%0.47539%0.389SS..Hα-helixtrans-62.8-46.3176.4176.1-97.9000112.6Q246 F247 I248 K252 M253 H254Q246-Y250 PolarHBondContact O-N 2.89Å; F247-Y250 PolarHBondContact O-N 3.26Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 3.45Å; Y250-K252 VanDerWaalsContact C-N 3.3Å; Y250-K252 PolarHBondContact O-N 3.08Å; Y250-M253 PolarHBondContact O-N 3.48Å; Y250-H254 AromaticContact CD2-ND1 3.83Å; Y250-H254 AromaticContact CE2-CE1 3.74Å; Y250-H254 AromaticContact CE2-ND1 3.58Å; Y250-H254 AromaticContact CZ-ND1 3.89Å; Y250-H254 PolarHBondContact O-N 2.99Å; Y250-H254 PolarHBondContact O-ND1 2.92Å; Y250-H254 VanDerWaalsContact O-ND1 3.12Å
251S75.5Confident72.7Confident10 Ų1084.9 Ų84.97%0.0741%0.407CS..Hα-helixtrans-68.2-27.7-178.7-58.40000112.7F247 I248 M253 H254 P255F247-S251 WeakPolarHBondContact O-CB 3.43Å; F247-S251 PolarHBondContact O-N 3.48Å; F247-S251 PolarHBondContact O-OG 3.27Å; I248-S251 PolarHBondContact O-N 3.31Å; S251-M253 VanDerWaalsContact C-N 3.33Å; S251-H254 CarbonylContact O-C 3.57Å; S251-H254 PolarHBondContact O-N 3.41Å; S251-P255 WeakPolarHBondContact O-CA 3.42Å
252K71.9Confident72Confident116 Ų11678 Ų7850%0.50438%0.381SS..Hα-helixtrans-66.1-34169.7-77.5175.8177.8-174.30112.8L193 I248 S249 Y250L193-K252 HydrophobicContact CD2-CD 4.47Å; L193-K252 HydrophobicContact CD2-CG 3.84Å; I248-K252 HydrophobicContact CG2-CD 4.25Å; I248-K252 VanDerWaalsContact O-CG 3.29Å; I248-K252 WeakPolarHBondContact O-CG 3.48Å; I248-K252 PolarHBondContact O-N 3.15Å; S249-K252 PolarHBondContact O-N 3.11Å; Y250-K252 VanDerWaalsContact C-N 3.3Å; Y250-K252 PolarHBondContact O-N 3.08Å
253M66.8Low71Confident127 Ų12772.8 Ų72.863%0.62636%0.359SS*.Hα-helixtrans-81.9-18.4176.4-67.1-174.4-74.300112.7S249 Y250 S251S249-M253 PolarHBondContact O-N 3.2Å; Y250-M253 PolarHBondContact O-N 3.48Å; S251-M253 VanDerWaalsContact C-N 3.33Å
254H68.9Low70.1Confident100 Ų10072.9 Ų72.946%0.46336%0.359SS..SBendtrans-136.171.3-179.7-52.583.5000110.3Y250 S251 T256Y250-H254 AromaticContact CD2-ND1 3.83Å; Y250-H254 AromaticContact CE2-CE1 3.74Å; Y250-H254 AromaticContact CE2-ND1 3.58Å; Y250-H254 AromaticContact CZ-ND1 3.89Å; Y250-H254 PolarHBondContact O-N 2.99Å; Y250-H254 PolarHBondContact O-ND1 2.92Å; Y250-H254 VanDerWaalsContact O-ND1 3.12Å; S251-H254 CarbonylContact O-C 3.57Å; S251-H254 PolarHBondContact O-N 3.41Å; H254-T256 PolarHBondContact O-N 3.19Å
255P68.1Low68.9Low40 Ų4073.4 Ų73.426%0.2637%0.365SS..  trans-59.5137.6-179.4-20.732.8000110.9P186 F192 S251P186-P255 HydrophobicContact CB-CG 4.19Å; P186-P255 HydrophobicContact CG-CG 4.1Å; F192-P255 HydrophobicContact CE1-CB 4.23Å; F192-P255 HydrophobicContact CZ-CB 4.5Å; S251-P255 WeakPolarHBondContact O-CA 3.42Å
256T65.1Low67.7Low41 Ų4166 Ų6625%0.25234%0.338SS..  trans-109.5134.417554.60000109.2F192 H254 K258 I265F192-T256 WeakPolarHBondContact CD2-O 3.42Å; F192-T256 VanDerWaalsContact CE2-O 3.26Å; F192-T256 WeakPolarHBondContact CE2-O 3.35Å; H254-T256 PolarHBondContact O-N 3.19Å; T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 2.89Å; T256-I265 HydrophobicContact CG2-CD1 4.11Å
257E60.7Low66.3Low189 Ų18961.7 Ų61.788%0.88332%0.319SS*.SBendtrans-74.8-20.7179.9-66-177.4167.700112.7
258K64.3Low64.8Low140 Ų14062.3 Ų62.361%0.60933%0.326SS*.  trans-101.795.7-175.8-65.4-178.4-178.3178.50110.5T256 G260 Q261T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 2.89Å; K258-G260 PolarHBondContact O-N 2.77Å; K258-Q261 HydrophobicContact CB-CG 4.03Å; K258-Q261 WeakPolarHBondContact O-CB 3.49Å; K258-Q261 PolarHBondContact O-N 2.95Å
259T62.4Low63.2Low44 Ų4462.5 Ų62.527%0.2733%0.328SS..G310 helixtrans-61.2-28.2-177.7510000113.2E195 Q261 I262E195-T259 HydrophobicContact CB-CG2 4.45Å; E195-T259 WeakPolarHBondContact OE2-CB 3.31Å; E195-T259 WeakPolarHBondContact OE2-CG2 3.46Å; E195-T259 PolarHBondContact OE2-OG1 3.12Å; T259-Q261 PolarHBondContact O-N 3.38Å; T259-I262 HydrophobicContact CG2-CD1 4.13Å; T259-I262 WeakPolarHBondContact O-CB 3.43Å; T259-I262 WeakPolarHBondContact O-CG1 3.4Å; T259-I262 PolarHBondContact O-N 3.44Å
260G61.2Low61.7Low57 Ų5762.9 Ų62.959%0.58833%0.329SS*.G310 helixtrans-65.7-12.2171.900000115.7K258K258-G260 PolarHBondContact O-N 2.77Å
261Q64.1Low60.2Low92 Ų9262.3 Ų62.343%0.4333%0.329SS..G310 helixtrans-91.9-14175.4-65-174.9-14.100112.8K258 T259 A263 N264 I265K258-Q261 HydrophobicContact CB-CG 4.03Å; K258-Q261 WeakPolarHBondContact O-CB 3.49Å; K258-Q261 PolarHBondContact O-N 2.95Å; T259-Q261 PolarHBondContact O-N 3.38Å; Q261-A263 VanDerWaalsContact C-N 3.31Å; Q261-A263 PolarHBondContact O-N 3.17Å; Q261-N264 WeakPolarHBondContact O-CB 3.43Å; Q261-N264 PolarHBondContact O-N 3.4Å; Q261-I265 HydrophobicContact CB-CD1 4.41Å; Q261-I265 VanDerWaalsContact O-CG1 3.31Å; Q261-I265 WeakPolarHBondContact O-CG1 3.27Å; Q261-I265 PolarHBondContact O-N 3.3Å; Q261-I265 VanDerWaalsContact O-N 3.13Å
262I67.4Low58.5Low2 Ų265.1 Ų65.11%0.0134%0.342CS..Hα-helixtrans-58.7-44-176-64.7172.7000111F192 L196 I199 F247 T259 N264 I265 D266F192-I262 HydrophobicContact CD2-CD1 4.32Å; F192-I262 HydrophobicContact CE2-CD1 3.85Å; F192-I262 HydrophobicContact CE2-CG1 4.45Å; L196-I262 HydrophobicContact CD1-CD1 4.46Å; L196-I262 HydrophobicContact CD1-CG2 3.51Å; I199-I262 HydrophobicContact CB-CG2 4.28Å; I199-I262 HydrophobicContact CD1-CB 4.24Å; I199-I262 HydrophobicContact CD1-CD1 4.15Å; I199-I262 HydrophobicContact CD1-CG2 4.46Å; I199-I262 HydrophobicContact CG2-CB 4.35Å; I199-I262 HydrophobicContact CG2-CG2 3.93Å; F247-I262 HydrophobicContact CE1-CG2 4.17Å; F247-I262 HydrophobicContact CZ-CG2 4.49Å; T259-I262 HydrophobicContact CG2-CD1 4.13Å; T259-I262 WeakPolarHBondContact O-CB 3.43Å; T259-I262 WeakPolarHBondContact O-CG1 3.4Å; T259-I262 PolarHBondContact O-N 3.44Å; I262-N264 VanDerWaalsContact C-N 3.29Å; I262-N264 PolarHBondContact O-N 3.19Å; I262-I265 PolarHBondContact O-N 3.19Å; I262-D266 PolarHBondContact O-N 3.42Å; I262-D266 VanDerWaalsContact O-N 3.1Å
263A60.3Low57Low4 Ų465.8 Ų65.83%0.03334%0.342CS..Hα-helixtrans-63.4-34178.500000112.5I199 V203 A225 Q261 T267I199-A263 HydrophobicContact CG2-CB 4Å; V203-A263 HydrophobicContact CG2-CB 4.48Å; A225-A263 HydrophobicContact CB-CB 4.18Å; Q261-A263 VanDerWaalsContact C-N 3.31Å; Q261-A263 PolarHBondContact O-N 3.17Å; A263-T267 VanDerWaalsContact O-CG2 3.24Å; A263-T267 WeakPolarHBondContact O-CG2 3.43Å; A263-T267 PolarHBondContact O-N 3.34Å; A263-T267 PolarHBondContact O-OG1 2.9Å
264N61.8Low55.6Low34 Ų3462.8 Ų62.818%0.18233%0.333CS..Hα-helixtrans-75.3-28.4178-76.2-34.1000113.6A225 T226 E227 Q261 I262 T267 A268A225-N264 WeakPolarHBondContact CA-OD1 3.18Å; A225-N264 WeakPolarHBondContact CB-OD1 3.47Å; T226-N264 PolarHBondContact N-OD1 3.15Å; T226-N264 PolarHBondContact OG1-ND2 3.13Å; T226-N264 PolarHBondContact OG1-OD1 3.34Å; E227-N264 PolarHBondContact N-OD1 3.46Å; Q261-N264 WeakPolarHBondContact O-CB 3.43Å; Q261-N264 PolarHBondContact O-N 3.4Å; I262-N264 VanDerWaalsContact C-N 3.29Å; I262-N264 PolarHBondContact O-N 3.19Å; N264-T267 WeakPolarHBondContact CA-OG1 3.29Å; N264-T267 PolarHBondContact O-OG1 3.37Å; N264-A268 PolarHBondContact O-N 2.76Å
265I57.3Low53.7Low51 Ų5164.6 Ų64.626%0.26234%0.342SS..Hα-helixtrans-81.7-33.9179.7-54.8165.2000109.7F247 T256 Q261 I262 A268F247-I265 HydrophobicContact CE2-CB 3.97Å; F247-I265 HydrophobicContact CE2-CG2 3.61Å; F247-I265 HydrophobicContact CZ-CB 4.04Å; F247-I265 HydrophobicContact CZ-CG2 4.13Å; T256-I265 HydrophobicContact CG2-CD1 4.11Å; Q261-I265 HydrophobicContact CB-CD1 4.41Å; Q261-I265 VanDerWaalsContact O-CG1 3.31Å; Q261-I265 WeakPolarHBondContact O-CG1 3.27Å; Q261-I265 PolarHBondContact O-N 3.3Å; Q261-I265 VanDerWaalsContact O-N 3.13Å; I262-I265 PolarHBondContact O-N 3.19Å; I265-A268 WeakPolarHBondContact O-CB 3.41Å; I265-A268 PolarHBondContact O-N 3.27Å
266D53.8Low52.1Low21 Ų2172.3 Ų72.311%0.11237%0.366CS..Hα-helixtrans-66.8-39.4174.6-161.424.6000111.6V203 F247 I262 A268 V269V203-D266 WeakPolarHBondContact CG1-OD2 3.21Å; F247-D266 HydrophobicContact CD1-CB 4.23Å; F247-D266 HydrophobicContact CE1-CB 3.88Å; F247-D266 HydrophobicContact CE2-CB 4.24Å; F247-D266 HydrophobicContact CZ-CB 3.89Å; I262-D266 PolarHBondContact O-N 3.42Å; I262-D266 VanDerWaalsContact O-N 3.1Å; D266-A268 PolarHBondContact O-N 3.48Å; D266-V269 WeakPolarHBondContact O-CB 3.44Å; D266-V269 VanDerWaalsContact O-CG2 3.31Å; D266-V269 WeakPolarHBondContact O-CG2 3.29Å; D266-V269 PolarHBondContact O-N 3.05Å; D266-V269 VanDerWaalsContact O-N 3.17Å
267T49.6Very low50.6Low8 Ų876.7 Ų76.75%0.04939%0.387CS..THydrogen-bonded Turntrans-68.9-18.2174.355.60000113.6V222 A225 V229 A263 N264 P270V222-T267 HydrophobicContact CB-CG2 4.11Å; V222-T267 HydrophobicContact CG1-CG2 4.3Å; V222-T267 HydrophobicContact CG2-CG2 3.98Å; A225-T267 HydrophobicContact CB-CG2 4.06Å; V229-T267 VanDerWaalsContact CG2-CB 3.44Å; V229-T267 HydrophobicContact CG2-CG2 3.3Å; A263-T267 VanDerWaalsContact O-CG2 3.24Å; A263-T267 WeakPolarHBondContact O-CG2 3.43Å; A263-T267 PolarHBondContact O-N 3.34Å; A263-T267 PolarHBondContact O-OG1 2.9Å; N264-T267 WeakPolarHBondContact CA-OG1 3.29Å; N264-T267 PolarHBondContact O-OG1 3.37Å; T267-P270 WeakPolarHBondContact O-CD 3.49Å
268A47.1Very low49.2Very low22 Ų2276.2 Ų76.218%0.18238%0.382CS..THydrogen-bonded Turntrans-81.5-13.6173.700000113.3N264 I265 D266 P270 K271 I272N264-A268 PolarHBondContact O-N 2.76Å; I265-A268 WeakPolarHBondContact O-CB 3.41Å; I265-A268 PolarHBondContact O-N 3.27Å; D266-A268 PolarHBondContact O-N 3.48Å; A268-P270 VanDerWaalsContact C-CD 3.49Å; A268-K271 CarbonylContact O-C 3.53Å; A268-K271 WeakPolarHBondContact O-CA 3.19Å; A268-K271 WeakPolarHBondContact O-CB 3.32Å; A268-K271 PolarHBondContact O-N 2.95Å; A268-I272 HydrophobicContact CB-CD1 3.88Å; A268-I272 HydrophobicContact CB-CG1 4.24Å; A268-I272 VanDerWaalsContact O-CG1 3.3Å; A268-I272 WeakPolarHBondContact O-CG1 3.47Å; A268-I272 PolarHBondContact O-N 3.35Å
269V46.1Very low47.5Very low30 Ų3079 Ų7918%0.18239%0.394CS..Hα-helixtrans-56.6-38.7-176.7177.20000113.6L243 F247 D266 R273L243-V269 HydrophobicContact CD2-CG1 4.18Å; F247-V269 HydrophobicContact CB-CG2 4.49Å; F247-V269 HydrophobicContact CD2-CG2 3.7Å; F247-V269 HydrophobicContact CE2-CG2 4.39Å; F247-V269 HydrophobicContact CG-CG2 4.39Å; D266-V269 WeakPolarHBondContact O-CB 3.44Å; D266-V269 VanDerWaalsContact O-CG2 3.31Å; D266-V269 WeakPolarHBondContact O-CG2 3.29Å; D266-V269 PolarHBondContact O-N 3.05Å; D266-V269 VanDerWaalsContact O-N 3.17Å; V269-R273 PolarHBondContact O-N 2.65Å; V269-R273 VanDerWaalsContact O-N 3.1Å
270P48.3Very low46.1Very low72 Ų7280.2 Ų80.247%0.46842%0.416SS..Hα-helixtrans-63.5-38.2170.7-20.633.1000113.4T267 A268 S274T267-P270 WeakPolarHBondContact O-CD 3.49Å; A268-P270 VanDerWaalsContact C-CD 3.49Å; P270-S274 PolarHBondContact O-N 3.41Å
271K44Very low44.6Very low109 Ų10984.9 Ų84.947%0.47445%0.449SS..Hα-helixtrans-74-33.8177.5-70179.7-177.3170.70112.6E227 A268 S274 Q275E227-K271 IonicContact OE2-NZ 2.91Å; E227-K271 PolarHBondContact OE2-NZ 2.88Å; A268-K271 CarbonylContact O-C 3.53Å; A268-K271 WeakPolarHBondContact O-CA 3.19Å; A268-K271 WeakPolarHBondContact O-CB 3.32Å; A268-K271 PolarHBondContact O-N 2.95Å; K271-S274 PolarHBondContact O-N 3.21Å; K271-S274 PolarHBondContact O-OG 3.23Å; K271-Q275 PolarHBondContact O-N 3.29Å; K271-Q275 VanDerWaalsContact O-N 3.13Å
272I39.1Very low43.6Very low68 Ų6884.5 Ų84.535%0.34945%0.45SS..Hα-helixtrans-68.7-41.2177-67.8167.9000108.7A268 S274 Q275 W276A268-I272 HydrophobicContact CB-CD1 3.88Å; A268-I272 HydrophobicContact CB-CG1 4.24Å; A268-I272 VanDerWaalsContact O-CG1 3.3Å; A268-I272 WeakPolarHBondContact O-CG1 3.47Å; A268-I272 PolarHBondContact O-N 3.35Å; I272-S274 VanDerWaalsContact C-N 3.26Å; I272-S274 PolarHBondContact O-N 3.1Å; I272-Q275 PolarHBondContact O-N 2.93Å; I272-W276 HydrophobicContact CG2-CG 4.49Å; I272-W276 PolarHBondContact O-N 2.86Å
273R40.1Very low42.3Very low130 Ų13088.8 Ų88.849%0.49147%0.473SS..Hα-helixtrans-60.3-33.9175.9-141.8177.5-176.6-168.6-1.9113.1V269 L277V269-R273 PolarHBondContact O-N 2.65Å; V269-R273 VanDerWaalsContact O-N 3.1Å; R273-L277 WeakPolarHBondContact O-CG 3.34Å; R273-L277 PolarHBondContact O-N 2.89Å
274S37.2Very low41.3Very low65 Ų6593.6 Ų93.646%0.45550%0.497SS..Hα-helixtrans-76.4-31.9176.570.60000113.6P270 K271 I272 K278P270-S274 PolarHBondContact O-N 3.41Å; K271-S274 PolarHBondContact O-N 3.21Å; K271-S274 PolarHBondContact O-OG 3.23Å; I272-S274 VanDerWaalsContact C-N 3.26Å; I272-S274 PolarHBondContact O-N 3.1Å; S274-K278 PolarHBondContact O-N 2.95Å
275Q30.4Very low40.1Very low138 Ų13897.1 Ų97.165%0.64552%0.516SS*.Hα-helixtrans-73.3-32.7172.7-79.3-174.7-600113.3K271 I272 K279K271-Q275 PolarHBondContact O-N 3.29Å; K271-Q275 VanDerWaalsContact O-N 3.13Å; I272-Q275 PolarHBondContact O-N 2.93Å; Q275-K279 PolarHBondContact O-N 3Å
276W34.5Very low39Very low202 Ų20299.9 Ų99.977%0.76553%0.532SS*.Hα-helixtrans-75.7-33.6177.4-79.273.6000112.8I272 K278I272-W276 HydrophobicContact CG2-CG 4.49Å; I272-W276 PolarHBondContact O-N 2.86Å; W276-K278 VanDerWaalsContact C-N 3.35Å
277L33.2Very low38.1Very low132 Ų132105.2 Ų105.269%0.69156%0.56SS**Hα-helixtrans-71.7-26173.1-78.8163.7000113.2R273R273-L277 WeakPolarHBondContact O-CG 3.34Å; R273-L277 PolarHBondContact O-N 2.89Å
278K30.3Very low37.2Very low179 Ų179112.1 Ų112.178%0.77860%0.596SS**Hα-helixtrans-82.2-13.6176.5-81.2-173.8175.5-176.60114.9S274 W276S274-K278 PolarHBondContact O-N 2.95Å; W276-K278 VanDerWaalsContact C-N 3.35Å
279K30Very low36.5Very low198 Ų198119.1 Ų119.186%0.86163%0.628SS**THydrogen-bonded Turntrans-104.810177.4-76.1-168.5173.9-175.40113.6Q275Q275-K279 PolarHBondContact O-N 3Å
280G32.5Very low35.7Very low71 Ų71126.5 Ų126.573%0.73267%0.665SS**  trans-123.624.7178.800000113.9
281A28.7Very low34.5Very low154 Ų154131.5 Ų131.5100%1.27368%0.683SS**  trans-126.40167.300000108.6

Retrieved 281 of 281 residues in 723.2 ms (Link to these results)

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