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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession G4VHK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 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
1M65.3Low93.3Very high119 Ų11932.5 Ų32.559%0.58615%0.146SC*.  0-1740-111.7175.1-76.800106.3E3 R46 N48 C129M1-E3 PolarHBondContact N-OE1 3.5Å; M1-E3 VanDerWaalsContact O-CD 3.29Å; M1-E3 VanDerWaalsContact O-OE1 3.08Å; M1-E3 VanDerWaalsContact O-OE2 3.08Å; M1-R46 HydrophobicContact SD-CB 4.19Å; M1-R46 HydrophobicContact SD-CG 4.08Å; M1-N48 WeakPolarHBondContact CB-ND2 3.38Å; M1-N48 WeakPolarHBondContact CE-OD1 3.38Å; M1-N48 PolarHBondContact SD-OD1 3.33Å; M1-C129 VanDerWaalsContact O-CB 3.27Å; M1-C129 WeakPolarHBondContact O-CB 3.15Å
2R86.4Confident93.3Very high121 Ų12132.6 Ų32.646%0.45715%0.152SC..  trans-101102.3-175.6-71.5-171.1-168.5-165.714.6110.7C129 Q131 D249R2-C129 WeakPolarHBondContact CA-O 3.43Å; R2-Q131 HydrophobicContact CB-CB 4.14Å; R2-D249 IonicContact CZ-OD2 2.97Å; R2-D249 IonicContact NH1-OD1 3.33Å; R2-D249 PolarHBondContact NH1-OD1 3.23Å; R2-D249 IonicContact NH1-OD2 3.75Å; R2-D249 PolarHBondContact NH1-OD2 3.44Å; R2-D249 IonicContact NH2-OD2 3.84Å
3E95.3Very high93.6Very high0 Ų030.1 Ų30.10%014%0.141CC..EExtended strand (participates in β ladder)trans-91154.1-174.3-58.281.9-162.500113.6M1 N48 C127 D128 C129 Q131M1-E3 PolarHBondContact N-OE1 3.5Å; M1-E3 VanDerWaalsContact O-CD 3.29Å; M1-E3 VanDerWaalsContact O-OE1 3.08Å; M1-E3 VanDerWaalsContact O-OE2 3.08Å; E3-N48 WeakPolarHBondContact CG-O 3.09Å; E3-N48 PolarHBondContact OE1-ND2 2.77Å; E3-C127 HydrophobicContact CB-CB 3.94Å; E3-C127 HydrophobicContact CG-CB 4.33Å; E3-D128 PolarHBondContact OE2-N 3.1Å; E3-C129 PolarHBondContact N-O 3.31Å; E3-C129 VanDerWaalsContact N-O 3.11Å; E3-C129 WeakPolarHBondContact OE2-CA 3.48Å; E3-C129 PolarHBondContact OE2-N 2.83Å; E3-C129 VanDerWaalsContact OE2-O 3.04Å; E3-Q131 WeakPolarHBondContact O-CB 3.47Å; E3-Q131 PolarHBondContact O-N 2.92Å
4I96.7Very high93.9Very high1 Ų127.9 Ų27.91%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-124131.3179.7-61168.5000108.9V49 Y50 Q134 L240 L250I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.25Å; I4-V49 PolarHBondContact N-O 3.11Å; I4-Y50 HydrophobicContact CB-CD1 4.44Å; I4-Y50 HydrophobicContact CB-CE1 3.95Å; I4-Y50 HydrophobicContact CD1-CE2 4.35Å; I4-Y50 HydrophobicContact CG2-CE1 3.79Å; I4-Q134 HydrophobicContact CG2-CB 3.8Å; I4-L240 HydrophobicContact CD1-CD1 3.6Å; I4-L250 HydrophobicContact CD1-CD1 3.82Å; I4-L250 HydrophobicContact CD1-CG 4.24Å; I4-L250 HydrophobicContact CG1-CD1 4.02Å
5V98.3Very high94Very high0 Ų031.1 Ų31.10%015%0.145CC..EExtended strand (participates in β ladder)trans-93.8120.6168.7175.80000108.3I7 I64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.35Å; V5-I64 HydrophobicContact CG1-CD1 3.77Å; V5-I64 HydrophobicContact CG1-CG1 4.33Å; V5-E123 HydrophobicContact CG1-CB 4.16Å; V5-E123 HydrophobicContact CG2-CB 4.06Å; V5-L130 HydrophobicContact CG2-CD1 3.87Å; V5-G132 PolarHBondContact N-O 2.95Å; V5-F133 HydrophobicContact CB-CD1 3.76Å; V5-F133 HydrophobicContact CB-CE1 4.01Å; V5-F133 HydrophobicContact CG1-CD1 4.09Å; V5-F133 HydrophobicContact CG1-CE1 4.31Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.38Å; V5-Q134 PolarHBondContact O-N 3.03Å
6H98.3Very high94.2Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-98.8127.1-179.1-178.4-136.2000110.6Q8 F20 W21 Y50 R62 A63 I64 Q134 T136H6-Q8 PolarHBondContact CE1-NE2 2.99Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.3Å; H6-Q8 PolarHBondContact ND1-NE2 3.43Å; H6-F20 AromaticContact CE1-CD1 3.64Å; H6-F20 AromaticContact ND1-CD1 3.96Å; H6-W21 HydrophobicContact CB-CZ2 3.91Å; H6-W21 AromaticContact CE1-NE1 3.95Å; H6-W21 AromaticContact ND1-CE2 3.64Å; H6-W21 AromaticContact ND1-CZ2 3.66Å; H6-W21 AromaticContact ND1-NE1 3.28Å; H6-W21 PolarHBondContact ND1-NE1 3.16Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.28Å; H6-R62 PolarHBondContact N-O 2.6Å; H6-A63 CarbonylContact O-C 3.55Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 2.85Å; H6-I64 PolarHBondContact O-N 3.5Å; H6-Q134 CarbonylContact C-O 3.55Å; H6-Q134 WeakPolarHBondContact CA-O 3.48Å; H6-Q134 PolarHBondContact CD2-O 3.35Å; H6-T136 PolarHBondContact NE2-OG1 2.96Å
7I98.7Very high94.3Very high0 Ų027.5 Ų27.50%013%0.129CC..EExtended strand (participates in β ladder)trans-117.5133.5-177.3-55.5169.5000108.6V5 I64 V66 V120 F133 Q134 L135 T136 I155V5-I7 HydrophobicContact CG1-CG1 4.35Å; I7-I64 WeakPolarHBondContact CA-O 3.46Å; I7-I64 HydrophobicContact CG1-CB 4.39Å; I7-I64 HydrophobicContact CG1-CD1 4.4Å; I7-V66 HydrophobicContact CG2-CG2 4.4Å; I7-V120 HydrophobicContact CD1-CG2 4.03Å; I7-F133 HydrophobicContact CD1-CD1 4.17Å; I7-Q134 PolarHBondContact N-O 2.82Å; I7-L135 HydrophobicContact CB-CB 4.45Å; I7-L135 HydrophobicContact CB-CD1 4.33Å; I7-L135 HydrophobicContact CB-CG 4.38Å; I7-L135 HydrophobicContact CG2-CD1 4.09Å; I7-L135 HydrophobicContact CG2-CG 4.45Å; I7-L135 CarbonylContact O-C 3.11Å; I7-L135 WeakPolarHBondContact O-CA 3.21Å; I7-T136 PolarHBondContact O-N 2.86Å; I7-I155 HydrophobicContact CD1-CD1 3.35Å
8Q98.3Very high94.4Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-119.8116.7179.9-62.7169.710.300108.5H6 N14 G17 I64 V66H6-Q8 PolarHBondContact CE1-NE2 2.99Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.3Å; H6-Q8 PolarHBondContact ND1-NE2 3.43Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.43Å; Q8-G17 VanDerWaalsContact CD-CA 3.46Å; Q8-I64 PolarHBondContact N-O 2.76Å; Q8-V66 PolarHBondContact O-N 3.05Å
9A97.8Very high94.5Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans-114.9124.1-175.400000112.1G13 T136 H137A9-G13 PolarHBondContact O-N 3.07Å; A9-T136 PolarHBondContact N-O 2.82Å; A9-H137 HydrophobicContact CB-CB 4.19Å
10G96.4Very high94.6Very high2 Ų227.7 Ų27.72%0.02113%0.133CC..Hα-helixtrans72.1176.8177.400000114.3C12 G13 N14 V66G10-C12 PolarHBondContact O-N 3.26Å; G10-G13 PolarHBondContact O-N 3.01Å; G10-N14 PolarHBondContact O-N 3.26Å; G10-N14 PolarHBondContact O-ND2 3.5Å; G10-V66 PolarHBondContact N-O 2.79Å
11Q94.5Very high94.7Very high115 Ų11526.4 Ų26.454%0.53713%0.126SC..Hα-helixtrans-52-49.8-176.2-174.4-176.5-32.900113.4Q15 D67Q11-Q15 WeakPolarHBondContact O-CB 3.37Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 3.44Å; Q11-D67 PolarHBondContact N-OD2 3.17Å
12C94.2Very high96.2Very high33 Ų3323.3 Ų23.322%0.22311%0.11CC..Hα-helixtrans-62.8-48.2-179.7178.70000111.9G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.26Å; C12-N14 PolarHBondContact O-N 2.89Å; C12-Q15 PolarHBondContact O-N 3.39Å; C12-I16 WeakPolarHBondContact O-CG1 3.28Å; C12-I16 PolarHBondContact O-N 3.13Å
13G96.9Very high96.6Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-59.8-43.6-179.800000112.9A9 G10 G17 T136A9-G13 PolarHBondContact O-N 3.07Å; G10-G13 PolarHBondContact O-N 3.01Å; G13-G17 WeakPolarHBondContact O-CA 3.46Å; G13-G17 PolarHBondContact O-N 3.35Å; G13-T136 VanDerWaalsContact CA-O 3.24Å; G13-T136 WeakPolarHBondContact CA-O 3.33Å
14N97.2Very high96.5Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-70.9-35.6178.5-73.4-71000113.1Q8 G10 C12 G17 A18 L65 V66 T72 M73 V76Q8-N14 WeakPolarHBondContact CB-OD1 3.43Å; G10-N14 PolarHBondContact O-N 3.26Å; G10-N14 PolarHBondContact O-ND2 3.5Å; C12-N14 PolarHBondContact O-N 2.89Å; N14-G17 PolarHBondContact O-N 3.12Å; N14-A18 VanDerWaalsContact O-CB 3.27Å; N14-A18 WeakPolarHBondContact O-CB 3.41Å; N14-A18 PolarHBondContact O-N 2.96Å; N14-L65 WeakPolarHBondContact OD1-CB 3.26Å; N14-V66 PolarHBondContact ND2-O 3Å; N14-T72 HydrophobicContact CB-CG2 3.51Å; N14-M73 HydrophobicContact CB-CE 4.19Å; N14-M73 VanDerWaalsContact CG-CE 3.4Å; N14-M73 WeakPolarHBondContact ND2-CE 3.29Å; N14-M73 WeakPolarHBondContact OD1-CE 3.4Å; N14-V76 HydrophobicContact CB-CG2 4.27Å
15Q95.7Very high96.5Very high75 Ų7518.7 Ų18.735%0.3510%0.096SC..Hα-helixtrans-69.7-43.1176.8-73.1-177.515.800112.3Q11 C12 G17 K19Q11-Q15 WeakPolarHBondContact O-CB 3.37Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 3.44Å; C12-Q15 PolarHBondContact O-N 3.39Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-K19 PolarHBondContact O-N 2.86Å
16I96.9Very high96.2Very high2 Ų221.3 Ų21.31%0.0111%0.11CC..Hα-helixtrans-64.1-46173-68.5168.3000109.5C12 A18 K19 F20 T136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 3.28Å; C12-I16 PolarHBondContact O-N 3.13Å; I16-A18 PolarHBondContact O-N 3.06Å; I16-K19 CarbonylContact O-C 3.49Å; I16-K19 PolarHBondContact O-N 3.13Å; I16-K19 VanDerWaalsContact O-N 3.14Å; I16-F20 WeakPolarHBondContact O-CB 3.39Å; I16-F20 PolarHBondContact O-N 3.44Å; I16-T136 HydrophobicContact CB-CG2 3.92Å; I16-T136 HydrophobicContact CD1-CG2 4.34Å; I16-T136 HydrophobicContact CG2-CG2 3.66Å; I16-V169 HydrophobicContact CD1-CG2 3.52Å; I16-N226 HydrophobicContact CG1-CB 4.21Å; I16-N226 VanDerWaalsContact CG1-OD1 3.28Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.43Å; I16-V229 HydrophobicContact CD1-CG1 4.21Å; I16-V229 HydrophobicContact CG1-CG1 4.49Å; I16-V229 HydrophobicContact CG2-CB 4.19Å; I16-V229 HydrophobicContact CG2-CG1 3.55Å; I16-M233 HydrophobicContact CG2-SD 3.56Å; I16-M233 VanDerWaalsContact CG2-SD 3.56Å
17G96.8Very high95.9Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-60.6-44.8-179.300000113.5Q8 G13 N14 Q15 K19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.46Å; G13-G17 WeakPolarHBondContact O-CA 3.46Å; G13-G17 PolarHBondContact O-N 3.35Å; N14-G17 PolarHBondContact O-N 3.12Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 3.34Å; G17-F20 WeakPolarHBondContact O-CB 3.5Å; G17-F20 PolarHBondContact O-N 2.95Å; G17-W21 PolarHBondContact O-N 3.2Å
18A96.1Very high95.7Very high23 Ų2321.8 Ų21.819%0.1911%0.112CC..Hα-helixtrans-56.5-47.6172.800000110.6N14 I16 F20 W21 E22 V76N14-A18 VanDerWaalsContact O-CB 3.27Å; N14-A18 WeakPolarHBondContact O-CB 3.41Å; N14-A18 PolarHBondContact O-N 2.96Å; I16-A18 PolarHBondContact O-N 3.06Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 2.99Å; A18-W21 PolarHBondContact O-N 3.27Å; A18-E22 WeakPolarHBondContact O-CG 3.49Å; A18-E22 PolarHBondContact O-N 3.03Å; A18-E22 VanDerWaalsContact O-N 3.09Å; A18-V76 HydrophobicContact CB-CG1 4.49Å; A18-V76 HydrophobicContact CB-CG2 4.44Å
19K95.9Very high95.5Very high63 Ų6322.2 Ų22.227%0.27412%0.117SC..Hα-helixtrans-66.1-34.3178.2-171.457.1-177.5176.50113Q15 I16 G17 E22 V23Q15-K19 PolarHBondContact O-N 2.86Å; I16-K19 CarbonylContact O-C 3.49Å; I16-K19 PolarHBondContact O-N 3.13Å; I16-K19 VanDerWaalsContact O-N 3.14Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 3.34Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.07Å; K19-E22 PolarHBondContact NZ-OE2 3.35Å; K19-E22 WeakPolarHBondContact O-CB 3.44Å; K19-E22 PolarHBondContact O-N 3.06Å; K19-V23 WeakPolarHBondContact O-CG2 3.14Å; K19-V23 PolarHBondContact O-N 3.17Å
20F96.9Very high95.4Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-62-49.3173.4171.9-108.7000111.3H6 I16 G17 A18 E22 V23 I24 Y50 M233H6-F20 AromaticContact CE1-CD1 3.64Å; H6-F20 AromaticContact ND1-CD1 3.96Å; I16-F20 WeakPolarHBondContact O-CB 3.39Å; I16-F20 PolarHBondContact O-N 3.44Å; G17-F20 WeakPolarHBondContact O-CB 3.5Å; G17-F20 PolarHBondContact O-N 2.95Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 2.99Å; F20-E22 VanDerWaalsContact C-N 3.29Å; F20-E22 PolarHBondContact O-N 3.23Å; F20-V23 WeakPolarHBondContact O-CB 3.26Å; F20-V23 PolarHBondContact O-N 3.19Å; F20-I24 HydrophobicContact CD1-CD1 4.02Å; F20-I24 HydrophobicContact CD1-CG1 4.45Å; F20-I24 HydrophobicContact CD2-CG2 4.05Å; F20-I24 HydrophobicContact CE1-CD1 3.45Å; F20-I24 VanDerWaalsContact CE1-CD1 3.45Å; F20-I24 HydrophobicContact CE1-CG1 4.24Å; F20-I24 HydrophobicContact CE1-CG2 4.4Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG2 3.51Å; F20-I24 HydrophobicContact CZ-CD1 3.73Å; F20-I24 HydrophobicContact CZ-CG1 4.37Å; F20-I24 HydrophobicContact CZ-CG2 3.73Å; F20-I24 WeakPolarHBondContact O-CG1 3.27Å; F20-I24 PolarHBondContact O-N 2.91Å; F20-Y50 HydrophobicContact CE1-CE1 4.44Å; F20-Y50 HydrophobicContact CZ-CE1 4.5Å; F20-M233 HydrophobicContact CB-CE 4.14Å; F20-M233 HydrophobicContact CB-SD 4.32Å; F20-M233 HydrophobicContact CD1-CE 4.12Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 3.99Å; F20-M233 HydrophobicContact CD2-SD 4.32Å; F20-M233 HydrophobicContact CE2-CB 3.72Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CE 3.82Å; F20-M233 HydrophobicContact CG-SD 4.4Å
21W97.1Very high95.3Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-64-30.3177.9-72.6111.4000113.7H6 G17 A18 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.91Å; H6-W21 AromaticContact CE1-NE1 3.95Å; H6-W21 AromaticContact ND1-CE2 3.64Å; H6-W21 AromaticContact ND1-CZ2 3.66Å; H6-W21 AromaticContact ND1-NE1 3.28Å; H6-W21 PolarHBondContact ND1-NE1 3.16Å; G17-W21 PolarHBondContact O-N 3.2Å; A18-W21 PolarHBondContact O-N 3.27Å; W21-I24 HydrophobicContact CD2-CD1 3.82Å; W21-I24 HydrophobicContact CD2-CG1 4.34Å; W21-I24 HydrophobicContact CE3-CD1 3.17Å; W21-I24 HydrophobicContact CE3-CG1 3.74Å; W21-I24 HydrophobicContact CH2-CD1 3.91Å; W21-I24 HydrophobicContact CZ2-CD1 4.48Å; W21-I24 HydrophobicContact CZ3-CD1 3.23Å; W21-I24 HydrophobicContact CZ3-CG1 4.21Å; W21-S25 WeakPolarHBondContact O-CB 3.44Å; W21-S25 PolarHBondContact O-N 3.43Å; W21-S25 PolarHBondContact O-OG 3.45Å; W21-Y50 AromaticContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CG 4.16Å; W21-Y50 HydrophobicContact CZ2-CD1 4.43Å; W21-Y51 HydrophobicContact CE3-CE1 4.4Å; W21-Y51 HydrophobicContact CE3-CE2 4.49Å; W21-Y51 AromaticContact CE3-CZ 3.95Å; W21-Y51 HydrophobicContact CZ3-CE1 4.18Å; W21-Y51 AromaticContact CZ3-CE2 3.95Å; W21-Y51 HydrophobicContact CZ3-CE2 3.95Å; W21-Y51 AromaticContact CZ3-CZ 3.76Å; W21-P61 HydrophobicContact CD2-CB 4.03Å; W21-P61 HydrophobicContact CD2-CG 4.16Å; W21-P61 HydrophobicContact CE3-CB 3.72Å; W21-P61 HydrophobicContact CE3-CG 3.67Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.36Å; W21-P61 HydrophobicContact CZ2-CB 3.8Å; W21-P61 HydrophobicContact CZ3-CB 3.47Å; W21-P61 VanDerWaalsContact CZ3-CB 3.47Å; W21-P61 HydrophobicContact CZ3-CG 3.79Å; W21-A63 HydrophobicContact CH2-CB 4.48Å; W21-A63 HydrophobicContact CZ2-CB 3.54Å; W21-F85 HydrophobicContact CB-CE1 4.17Å; W21-F85 HydrophobicContact CB-CZ 3.76Å; W21-F85 AromaticContact CD1-CE1 3.32Å; W21-F85 AromaticContact CD1-CZ 3.39Å; W21-F85 AromaticContact CD2-CE1 3.98Å; W21-F85 HydrophobicContact CD2-CE1 3.98Å; W21-F85 HydrophobicContact CD2-CZ 4.46Å; W21-F85 AromaticContact CG-CE1 3.58Å; W21-F85 HydrophobicContact CG-CE1 3.58Å; W21-F85 AromaticContact CG-CZ 3.62Å; W21-F85 HydrophobicContact CG-CZ 3.62Å; W21-F85 AromaticContact NE1-CE1 3.58Å
22E95.4Very high95.4Very high54 Ų5421.2 Ų21.225%0.25212%0.117SC..Hα-helixtrans-59.3-50.1167.7-65.6-177.6-179.700110.8A18 K19 F20 D26 F81A18-E22 WeakPolarHBondContact O-CG 3.49Å; A18-E22 PolarHBondContact O-N 3.03Å; A18-E22 VanDerWaalsContact O-N 3.09Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.07Å; K19-E22 PolarHBondContact NZ-OE2 3.35Å; K19-E22 WeakPolarHBondContact O-CB 3.44Å; K19-E22 PolarHBondContact O-N 3.06Å; F20-E22 VanDerWaalsContact C-N 3.29Å; F20-E22 PolarHBondContact O-N 3.23Å; E22-D26 WeakPolarHBondContact O-CB 3.24Å; E22-D26 PolarHBondContact O-N 3.29Å; E22-F81 HydrophobicContact CB-CD2 4.32Å; E22-F81 HydrophobicContact CB-CE2 4.12Å; E22-F81 HydrophobicContact CG-CD2 3.53Å; E22-F81 HydrophobicContact CG-CE2 3.75Å; E22-F81 HydrophobicContact CG-CG 4.26Å
23V94.5Very high95.3Very high25 Ų2522.8 Ų22.815%0.15213%0.126CC..Hα-helixtrans-65.6-47.4-176.6172.50000111.4K19 F20 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.14Å; K19-V23 PolarHBondContact O-N 3.17Å; F20-V23 WeakPolarHBondContact O-CB 3.26Å; F20-V23 PolarHBondContact O-N 3.19Å; V23-D26 PolarHBondContact O-N 3.48Å; V23-E27 WeakPolarHBondContact O-CG 3.4Å; V23-E27 PolarHBondContact O-N 3.46Å
24I94.7Very high95.3Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-73.4-34.6-17859.1166.9000112.5F20 W21 D26 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.02Å; F20-I24 HydrophobicContact CD1-CG1 4.45Å; F20-I24 HydrophobicContact CD2-CG2 4.05Å; F20-I24 HydrophobicContact CE1-CD1 3.45Å; F20-I24 VanDerWaalsContact CE1-CD1 3.45Å; F20-I24 HydrophobicContact CE1-CG1 4.24Å; F20-I24 HydrophobicContact CE1-CG2 4.4Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG2 3.51Å; F20-I24 HydrophobicContact CZ-CD1 3.73Å; F20-I24 HydrophobicContact CZ-CG1 4.37Å; F20-I24 HydrophobicContact CZ-CG2 3.73Å; F20-I24 WeakPolarHBondContact O-CG1 3.27Å; F20-I24 PolarHBondContact O-N 2.91Å; W21-I24 HydrophobicContact CD2-CD1 3.82Å; W21-I24 HydrophobicContact CD2-CG1 4.34Å; W21-I24 HydrophobicContact CE3-CD1 3.17Å; W21-I24 HydrophobicContact CE3-CG1 3.74Å; W21-I24 HydrophobicContact CH2-CD1 3.91Å; W21-I24 HydrophobicContact CZ2-CD1 4.48Å; W21-I24 HydrophobicContact CZ3-CD1 3.23Å; W21-I24 HydrophobicContact CZ3-CG1 4.21Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 3.16Å; I24-E27 PolarHBondContact O-N 3.33Å; I24-H28 PolarHBondContact O-CD2 3.07Å; I24-H28 PolarHBondContact O-N 3.42Å; I24-Y50 HydrophobicContact CD1-CG 4.31Å; I24-Y51 HydrophobicContact CD1-CE2 4.46Å
25S95.5Very high95.2Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-59.7-46172-60.60000110.4W21 E27 H28 G29 I30 Y51 L84W21-S25 WeakPolarHBondContact O-CB 3.44Å; W21-S25 PolarHBondContact O-N 3.43Å; W21-S25 PolarHBondContact O-OG 3.45Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 3Å; S25-H28 CarbonylContact O-C 3.55Å; S25-H28 PolarHBondContact O-N 3.2Å; S25-G29 PolarHBondContact O-N 3.49Å; S25-I30 CarbonylContact C-O 3.55Å; S25-I30 WeakPolarHBondContact CB-O 3.33Å; S25-I30 PolarHBondContact O-N 3.29Å; S25-Y51 VanDerWaalsContact CA-OH 3.25Å; S25-Y51 WeakPolarHBondContact CA-OH 3.25Å; S25-Y51 PolarHBondContact N-OH 3.48Å; S25-Y51 PolarHBondContact OG-OH 2.9Å; S25-L84 WeakPolarHBondContact OG-CD2 3.3Å
26D92.8Very high95.2Very high56 Ų5624.2 Ų24.230%0.29913%0.134SC..Hα-helixtrans-63.7-34.8179.5-17349.8000113.2E22 V23 I24 R359E22-D26 WeakPolarHBondContact O-CB 3.24Å; E22-D26 PolarHBondContact O-N 3.29Å; V23-D26 PolarHBondContact O-N 3.48Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 3.16Å; D26-R359 PolarHBondContact O-NH1 3.29Å; D26-R359 WeakPolarHBondContact OD1-CD 3.26Å; D26-R359 IonicContact OD1-CZ 2.76Å; D26-R359 IonicContact OD1-NE 2.6Å; D26-R359 IonicContact OD1-NH1 3.64Å; D26-R359 PolarHBondContact OD1-NH1 3.2Å; D26-R359 WeakPolarHBondContact OD2-CB 3.44Å; D26-R359 WeakPolarHBondContact OD2-CD 3.24Å; D26-R359 IonicContact OD2-NE 3.17Å
27E92.5Very high95Very high8 Ų830.8 Ų30.84%0.03716%0.164CC..Hα-helixtrans-71.5-35.7173.3-71.6-179.5-179.200113.2V23 I24 S25 G29 Q43 S234 R241 F242 R318V23-E27 WeakPolarHBondContact O-CG 3.4Å; V23-E27 PolarHBondContact O-N 3.46Å; I24-E27 PolarHBondContact O-N 3.33Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 3Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-Q43 PolarHBondContact O-NE2 3.19Å; E27-S234 PolarHBondContact OE1-OG 3Å; E27-S234 PolarHBondContact OE2-OG 2.97Å; E27-R241 IonicContact OE2-CZ 3.8Å; E27-R241 IonicContact OE2-NH1 3.96Å; E27-R241 PolarHBondContact OE2-NH1 3.36Å; E27-R241 IonicContact OE2-NH2 3.46Å; E27-R241 PolarHBondContact OE2-NH2 2.87Å; E27-F242 HydrophobicContact CB-CE2 4.3Å; E27-F242 HydrophobicContact CB-CZ 3.95Å; E27-R318 IonicContact OE1-CZ 2.61Å; E27-R318 IonicContact OE1-NH1 3.33Å; E27-R318 PolarHBondContact OE1-NH1 3.03Å; E27-R318 IonicContact OE1-NH2 3.97Å; E27-R318 PolarHBondContact OE1-NH2 3.43Å; E27-R318 IonicContact OE2-CZ 3.75Å; E27-R318 IonicContact OE2-NH1 3.74Å; E27-R318 IonicContact OE2-NH2 3.98Å; E27-R318 PolarHBondContact OE2-NH2 3.39Å
28H93.4Very high94.6Very high1 Ų131.8 Ų31.81%0.00518%0.175CC..THydrogen-bonded Turntrans-852.4176.1-74.8-73.1000113.4I24 S25 I30 Y36 Q43 I47 R241 F242I24-H28 PolarHBondContact O-CD2 3.07Å; I24-H28 PolarHBondContact O-N 3.42Å; S25-H28 CarbonylContact O-C 3.55Å; S25-H28 PolarHBondContact O-N 3.2Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.91Å; H28-Y36 WeakPolarHBondContact O-CD2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.32Å; H28-Q43 PolarHBondContact ND1-O 3.04Å; H28-I47 HydrophobicContact CB-CD1 4.13Å; H28-I47 HydrophobicContact CB-CG1 4.46Å; H28-R241 PolarHBondContact NE2-NH1 3.34Å; H28-F242 AromaticContact CE1-CE1 3.56Å; H28-F242 AromaticContact CE1-CZ 3.77Å; H28-F242 AromaticContact ND1-CE1 3.77Å; H28-F242 AromaticContact NE2-CZ 3.95Å
29G93.8Very high94.2Very high10 Ų1038.2 Ų38.210%0.10321%0.206CC..THydrogen-bonded Turntrans66.724.9-178.600000113.3S25 E27 Y36 H37S25-G29 PolarHBondContact O-N 3.49Å; E27-G29 VanDerWaalsContact C-N 3.29Å; G29-Y36 CarbonylContact O-C 3.48Å; G29-Y36 WeakPolarHBondContact O-CA 3.3Å; G29-H37 PolarHBondContact O-N 2.88Å
30I95.6Very high93.8Very high7 Ų737 Ų374%0.03621%0.206CC..BIsolated β-bridgetrans-93.1126179.1-56.8-53.9000109.5S25 H28 Y36 I47 Y51 Y59 L84S25-I30 CarbonylContact C-O 3.55Å; S25-I30 WeakPolarHBondContact CB-O 3.33Å; S25-I30 PolarHBondContact O-N 3.29Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.91Å; I30-Y36 HydrophobicContact CD1-CD2 4.03Å; I30-Y36 HydrophobicContact CD1-CG 4.47Å; I30-I47 HydrophobicContact CD1-CD1 3.76Å; I30-I47 HydrophobicContact CG1-CD1 3.89Å; I30-Y51 HydrophobicContact CG2-CE1 4.42Å; I30-Y59 HydrophobicContact CD1-CD2 3.41Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.41Å; I30-Y59 HydrophobicContact CD1-CE2 4.1Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; I30-L84 HydrophobicContact CG2-CD1 4.22Å
31D95.2Very high93.4Very high39 Ų3943.8 Ų43.821%0.20924%0.242CC..  trans-81.4173.3175.183.5-6.2000112T33 G34 T35 H37D31-T33 VanDerWaalsContact CG-OG1 3.29Å; D31-T33 PolarHBondContact O-N 3.46Å; D31-T33 WeakPolarHBondContact OD1-CA 3.18Å; D31-T33 WeakPolarHBondContact OD1-CB 3.37Å; D31-T33 PolarHBondContact OD1-N 3.47Å; D31-T33 PolarHBondContact OD1-OG1 3.41Å; D31-T33 PolarHBondContact OD2-OG1 2.92Å; D31-T33 VanDerWaalsContact OD2-OG1 3.14Å; D31-G34 PolarHBondContact O-N 3.34Å; D31-G34 PolarHBondContact OD1-N 2.98Å; D31-G34 VanDerWaalsContact OD1-N 3.14Å; D31-T35 PolarHBondContact N-O 3.38Å; D31-T35 PolarHBondContact OD1-N 2.93Å; D31-H37 IonicContact OD2-CD2 3.88Å; D31-H37 IonicContact OD2-NE2 2.88Å
32P95.7Very high93Very high49 Ų4947.2 Ų47.232%0.31826%0.26SS..THydrogen-bonded Turntrans-61.8-12.8178.7-24.835.1000115.9P80 F81P32-P80 VanDerWaalsContact CB-O 3.26Å; P32-P80 WeakPolarHBondContact CB-O 2.8Å; P32-F81 HydrophobicContact CB-CD1 4.13Å; P32-F81 HydrophobicContact CB-CE1 4.32Å; P32-F81 HydrophobicContact CB-CG 4.35Å; P32-F81 HydrophobicContact CG-CD1 4.19Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.15Å; P32-F81 HydrophobicContact CG-CG 4.43Å; P32-F81 HydrophobicContact CG-CZ 3.92Å
33T93.8Very high92.7Very high66 Ų6645.7 Ų45.741%0.40525%0.253SS..THydrogen-bonded Turntrans-91.5-4.1177.277.50000113.1D31 T35D31-T33 VanDerWaalsContact CG-OG1 3.29Å; D31-T33 PolarHBondContact O-N 3.46Å; D31-T33 WeakPolarHBondContact OD1-CA 3.18Å; D31-T33 WeakPolarHBondContact OD1-CB 3.37Å; D31-T33 PolarHBondContact OD1-N 3.47Å; D31-T33 PolarHBondContact OD1-OG1 3.41Å; D31-T33 PolarHBondContact OD2-OG1 2.92Å; D31-T33 VanDerWaalsContact OD2-OG1 3.14Å; T33-T35 PolarHBondContact OG1-OG1 2.95Å
34G95.6Very high92.6Very high1 Ų146.8 Ų46.81%0.0126%0.258CS..SBendtrans85.39.1-17400000113.7D31 K58 Y59 L84D31-G34 PolarHBondContact O-N 3.34Å; D31-G34 PolarHBondContact OD1-N 2.98Å; D31-G34 VanDerWaalsContact OD1-N 3.14Å; G34-K58 CarbonylContact O-C 3.57Å; G34-K58 WeakPolarHBondContact O-CA 3.36Å; G34-Y59 WeakPolarHBondContact CA-O 3.22Å; G34-Y59 PolarHBondContact O-N 2.84Å; G34-L84 VanDerWaalsContact CA-CD1 3.47Å
35T96.2Very high92.4Very high48 Ų4851.5 Ų51.529%0.29428%0.28SS..BIsolated β-bridgetrans-90.6136.4-176.9-52.10000110.5D31 T33D31-T35 PolarHBondContact N-O 3.38Å; D31-T35 PolarHBondContact OD1-N 2.93Å; T33-T35 PolarHBondContact OG1-OG1 2.95Å
36Y95.2Very high92.2Very high57 Ų5753.7 Ų53.722%0.22429%0.288CS..BIsolated β-bridgetrans-77.6126.6175.9176.4-104.9000112H28 G29 I30 G38 S40 Q43 L44H28-Y36 WeakPolarHBondContact O-CD2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.32Å; G29-Y36 CarbonylContact O-C 3.48Å; G29-Y36 WeakPolarHBondContact O-CA 3.3Å; I30-Y36 HydrophobicContact CD1-CD2 4.03Å; I30-Y36 HydrophobicContact CD1-CG 4.47Å; Y36-G38 VanDerWaalsContact CE2-CA 3.4Å; Y36-G38 VanDerWaalsContact OH-C 3.23Å; Y36-G38 WeakPolarHBondContact OH-CA 3.37Å; Y36-G38 PolarHBondContact OH-O 3.45Å; Y36-S40 PolarHBondContact OH-O 2.9Å; Y36-S40 VanDerWaalsContact OH-O 3.11Å; Y36-Q43 HydrophobicContact CE2-CB 3.97Å; Y36-Q43 PolarHBondContact OH-OE1 3.46Å; Y36-L44 HydrophobicContact CD1-CD1 4Å; Y36-L44 HydrophobicContact CD2-CD1 4.38Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4.04Å; Y36-L44 HydrophobicContact CE1-CD1 3.87Å; Y36-L44 HydrophobicContact CE1-CG 4.3Å; Y36-L44 HydrophobicContact CE2-CD1 4.26Å; Y36-L44 HydrophobicContact CE2-CD2 3.78Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.24Å; Y36-L44 HydrophobicContact CG-CD2 3.93Å; Y36-L44 HydrophobicContact CG-CG 4.38Å
37H93.1Very high92.2Very high139 Ų13951.6 Ų51.664%0.64428%0.276SS*.  trans-129.622.6175.4-71.1-70.4000112.1G29 D31G29-H37 PolarHBondContact O-N 2.88Å; D31-H37 IonicContact OD2-CD2 3.88Å; D31-H37 IonicContact OD2-NE2 2.88Å
38G88Confident92.3Very high22 Ų2252.6 Ų52.623%0.22728%0.282CS..  trans-74.4167.917900000113.8Y36Y36-G38 VanDerWaalsContact CE2-CA 3.4Å; Y36-G38 VanDerWaalsContact OH-C 3.23Å; Y36-G38 WeakPolarHBondContact OH-CA 3.37Å; Y36-G38 PolarHBondContact OH-O 3.45Å
39D88.1Confident92.4Very high157 Ų15752.8 Ų52.884%0.8428%0.283SS*.SBendtrans-116.53.7-176.163-9.2000113.2Q43D39-Q43 VanDerWaalsContact N-OE1 3.15Å
40S87.4Confident92.5Very high39 Ų3952.3 Ų52.327%0.27328%0.279SS..  trans-142.1127.4-174.6166.40000111.9Y36 L42 Q43Y36-S40 PolarHBondContact OH-O 2.9Å; Y36-S40 VanDerWaalsContact OH-O 3.11Å; S40-L42 PolarHBondContact O-N 3.03Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.05Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.49Å; S40-Q43 WeakPolarHBondContact O-CG 3.45Å; S40-Q43 PolarHBondContact O-N 3.49Å
41D87.7Confident92.6Very high142 Ų14252 Ų5276%0.75928%0.277SS*.G310 helixtrans-57-28.3177.9-62.8-29.1000113.2Q43 L44 E45D41-Q43 PolarHBondContact O-N 3.38Å; D41-Q43 VanDerWaalsContact O-N 3.08Å; D41-L44 PolarHBondContact O-N 3.36Å; D41-E45 PolarHBondContact O-N 3.45Å
42L87.7Confident92.5Very high71 Ų7152 Ų5237%0.37228%0.277SS..G310 helixtrans-57.5-24.2175.1-56.9173.2000112.9S40 L44 F242 P243 I356S40-L42 PolarHBondContact O-N 3.03Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.05Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-F242 WeakPolarHBondContact O-CD1 3.4Å; L42-P243 HydrophobicContact CD2-CG 3.69Å; L42-I356 HydrophobicContact CB-CD1 3.88Å; L42-I356 HydrophobicContact CD1-CD1 4.37Å
43Q90Very high92.4Very high22 Ų2255.6 Ų55.610%0.10329%0.289CS..G310 helixtrans-71.5-24.9178.3-64-178.7-65.800112.5E27 H28 Y36 D39 S40 D41E27-Q43 PolarHBondContact O-NE2 3.19Å; H28-Q43 PolarHBondContact ND1-O 3.04Å; Y36-Q43 HydrophobicContact CE2-CB 3.97Å; Y36-Q43 PolarHBondContact OH-OE1 3.46Å; D39-Q43 VanDerWaalsContact N-OE1 3.15Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.49Å; S40-Q43 WeakPolarHBondContact O-CG 3.45Å; S40-Q43 PolarHBondContact O-N 3.49Å; D41-Q43 PolarHBondContact O-N 3.38Å; D41-Q43 VanDerWaalsContact O-N 3.08Å
44L92.1Very high92.3Very high49 Ų4954.1 Ų54.126%0.25728%0.284SS..THydrogen-bonded Turntrans-98.5-21.2179.6-65.3-178.9000113.1Y36 D41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 4Å; Y36-L44 HydrophobicContact CD2-CD1 4.38Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4.04Å; Y36-L44 HydrophobicContact CE1-CD1 3.87Å; Y36-L44 HydrophobicContact CE1-CG 4.3Å; Y36-L44 HydrophobicContact CE2-CD1 4.26Å; Y36-L44 HydrophobicContact CE2-CD2 3.78Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.24Å; Y36-L44 HydrophobicContact CG-CD2 3.93Å; Y36-L44 HydrophobicContact CG-CG 4.38Å; D41-L44 PolarHBondContact O-N 3.36Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact O-N 3.14Å; L44-I47 HydrophobicContact CD2-CD1 3.7Å; L44-I47 WeakPolarHBondContact O-CG2 3.44Å; L44-I47 PolarHBondContact O-N 2.8Å; L44-I47 VanDerWaalsContact O-N 3.17Å; L44-Y59 HydrophobicContact CD2-CE1 4.42Å; L44-Y59 HydrophobicContact CD2-CE2 4.03Å
45E89.9Confident91.9Very high98 Ų9860.5 Ų60.546%0.45832%0.323SS..THydrogen-bonded Turntrans-53.9-40.7-168.2-169.9177.514700114.8D41 P243D41-E45 PolarHBondContact O-N 3.45Å; E45-P243 WeakPolarHBondContact OE2-CG 3.46Å
46R91.9Very high91.6Very high47 Ų4762.1 Ų62.118%0.17735%0.349CS..THydrogen-bonded Turntrans-126.131.7175.6-43.6179.3176179.7-4.2112.7M1 L44 N48 V49 C239 L240 R241 F242M1-R46 HydrophobicContact SD-CB 4.19Å; M1-R46 HydrophobicContact SD-CG 4.08Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact O-N 3.14Å; R46-N48 PolarHBondContact O-N 2.85Å; R46-V49 HydrophobicContact CB-CG2 4.05Å; R46-V49 WeakPolarHBondContact O-CB 3.38Å; R46-V49 VanDerWaalsContact O-CG2 3.23Å; R46-V49 WeakPolarHBondContact O-CG2 3.32Å; R46-V49 PolarHBondContact O-N 3.18Å; R46-C239 PolarHBondContact NH1-O 3.16Å; R46-L240 WeakPolarHBondContact CD-O 3.45Å; R46-R241 WeakPolarHBondContact CB-O 3.17Å; R46-F242 PolarHBondContact NH1-O 2.8Å
47I93.6Very high91.3Very high11 Ų1161 Ų616%0.05635%0.354CS..G310 helixtrans-60.5-28.9179.3-165.5164000112.3H28 I30 L44 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 4.13Å; H28-I47 HydrophobicContact CB-CG1 4.46Å; I30-I47 HydrophobicContact CD1-CD1 3.76Å; I30-I47 HydrophobicContact CG1-CD1 3.89Å; L44-I47 HydrophobicContact CD2-CD1 3.7Å; L44-I47 WeakPolarHBondContact O-CG2 3.44Å; L44-I47 PolarHBondContact O-N 2.8Å; L44-I47 VanDerWaalsContact O-N 3.17Å; I47-V49 PolarHBondContact O-N 2.93Å; I47-V49 VanDerWaalsContact O-N 3.09Å; I47-Y50 PolarHBondContact O-N 2.9Å; I47-Y51 HydrophobicContact CD1-CD2 4.49Å; I47-Y51 HydrophobicContact CG1-CD2 3.75Å; I47-Y51 HydrophobicContact CG1-CG 4.09Å; I47-Y51 WeakPolarHBondContact O-CB 3.33Å; I47-Y51 PolarHBondContact O-N 3.39Å; I47-Y59 HydrophobicContact CD1-CD1 3.52Å; I47-Y59 HydrophobicContact CD1-CD2 4.18Å; I47-Y59 HydrophobicContact CD1-CE1 3.77Å; I47-Y59 HydrophobicContact CD1-CE2 4.39Å; I47-Y59 HydrophobicContact CD1-CG 3.72Å; I47-Y59 HydrophobicContact CG1-CD1 4.01Å; I47-Y59 HydrophobicContact CG1-CE1 4.32Å; I47-Y59 HydrophobicContact CG2-CD1 4.04Å; I47-Y59 HydrophobicContact CG2-CE1 3.61Å
48N94.1Very high91.4Very high29 Ų2958.9 Ų58.916%0.15534%0.343CS..G310 helixtrans-62.2-18.6-178.972.8-62000113.5M1 E3 R46 Y50 Y51 R62M1-N48 WeakPolarHBondContact CB-ND2 3.38Å; M1-N48 WeakPolarHBondContact CE-OD1 3.38Å; M1-N48 PolarHBondContact SD-OD1 3.33Å; E3-N48 WeakPolarHBondContact CG-O 3.09Å; E3-N48 PolarHBondContact OE1-ND2 2.77Å; R46-N48 PolarHBondContact O-N 2.85Å; N48-Y50 PolarHBondContact O-N 2.83Å; N48-Y51 CarbonylContact C-O 3.51Å; N48-Y51 WeakPolarHBondContact CA-O 3.45Å; N48-Y51 VanDerWaalsContact O-O 3.1Å; N48-R62 PolarHBondContact O-NE 2.87Å
49V94.7Very high91.8Very high5 Ų559 Ų593%0.0334%0.337CS..G310 helixtrans-53.8-42.9176.4173.20000111I4 R46 I47 L240 R241I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.25Å; I4-V49 PolarHBondContact N-O 3.11Å; R46-V49 HydrophobicContact CB-CG2 4.05Å; R46-V49 WeakPolarHBondContact O-CB 3.38Å; R46-V49 VanDerWaalsContact O-CG2 3.23Å; R46-V49 WeakPolarHBondContact O-CG2 3.32Å; R46-V49 PolarHBondContact O-N 3.18Å; I47-V49 PolarHBondContact O-N 2.93Å; I47-V49 VanDerWaalsContact O-N 3.09Å; V49-L240 HydrophobicContact CG1-CB 4.21Å; V49-L240 WeakPolarHBondContact CG2-O 3.27Å; V49-R241 HydrophobicContact CB-CG 4.47Å; V49-R241 HydrophobicContact CG1-CG 4.25Å
50Y96.5Very high92.2Very high1 Ų152.7 Ų52.70%0.00430%0.304CS..THydrogen-bonded Turntrans-119.2-15.7179.9-80.9-69.8000114.4I4 H6 F20 W21 I24 I47 N48 P61 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CD1 4.44Å; I4-Y50 HydrophobicContact CB-CE1 3.95Å; I4-Y50 HydrophobicContact CD1-CE2 4.35Å; I4-Y50 HydrophobicContact CG2-CE1 3.79Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.28Å; F20-Y50 HydrophobicContact CE1-CE1 4.44Å; F20-Y50 HydrophobicContact CZ-CE1 4.5Å; W21-Y50 AromaticContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CG 4.16Å; W21-Y50 HydrophobicContact CZ2-CD1 4.43Å; I24-Y50 HydrophobicContact CD1-CG 4.31Å; I47-Y50 PolarHBondContact O-N 2.9Å; N48-Y50 PolarHBondContact O-N 2.83Å; Y50-P61 CarbonylContact O-C 3.57Å; Y50-R62 PolarHBondContact O-N 3.5Å; Y50-Q134 PolarHBondContact OH-OE1 3.21Å; Y50-T237 HydrophobicContact CE2-CG2 4.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.47Å; Y50-R241 HydrophobicContact CD2-CG 3.62Å; Y50-R241 HydrophobicContact CE2-CG 3.74Å
51Y97Very high92.7Very high1 Ų150.9 Ų50.90%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-114.3152.5-178.8-64.8-98.4000111.2W21 I24 S25 I30 I47 N48 V60 P61 R62 L84W21-Y51 HydrophobicContact CE3-CE1 4.4Å; W21-Y51 HydrophobicContact CE3-CE2 4.49Å; W21-Y51 AromaticContact CE3-CZ 3.95Å; W21-Y51 HydrophobicContact CZ3-CE1 4.18Å; W21-Y51 AromaticContact CZ3-CE2 3.95Å; W21-Y51 HydrophobicContact CZ3-CE2 3.95Å; W21-Y51 AromaticContact CZ3-CZ 3.76Å; I24-Y51 HydrophobicContact CD1-CE2 4.46Å; S25-Y51 VanDerWaalsContact CA-OH 3.25Å; S25-Y51 WeakPolarHBondContact CA-OH 3.25Å; S25-Y51 PolarHBondContact N-OH 3.48Å; S25-Y51 PolarHBondContact OG-OH 2.9Å; I30-Y51 HydrophobicContact CG2-CE1 4.42Å; I47-Y51 HydrophobicContact CD1-CD2 4.49Å; I47-Y51 HydrophobicContact CG1-CD2 3.75Å; I47-Y51 HydrophobicContact CG1-CG 4.09Å; I47-Y51 WeakPolarHBondContact O-CB 3.33Å; I47-Y51 PolarHBondContact O-N 3.39Å; N48-Y51 CarbonylContact C-O 3.51Å; N48-Y51 WeakPolarHBondContact CA-O 3.45Å; N48-Y51 VanDerWaalsContact O-O 3.1Å; Y51-V60 CarbonylContact C-O 3.48Å; Y51-V60 WeakPolarHBondContact CA-O 3.24Å; Y51-P61 HydrophobicContact CD1-CG 4.18Å; Y51-P61 HydrophobicContact CE1-CG 3.79Å; Y51-R62 PolarHBondContact O-NE 3.08Å; Y51-R62 PolarHBondContact O-NH2 3Å; Y51-L84 HydrophobicContact CE1-CD2 4.34Å
52N95Very high93.2Very high37 Ų3744.5 Ų44.520%0.19826%0.257CS..EExtended strand (participates in β ladder)trans-106.8133.9164.3-169.3-0.2000108.3A54 V60 R86N52-A54 PolarHBondContact O-N 3.11Å; N52-V60 PolarHBondContact N-O 3.47Å; N52-V60 PolarHBondContact O-N 2.95Å; N52-R86 PolarHBondContact ND2-NH2 2.88Å
53E93.6Very high93.7Very high126 Ų12641.2 Ų41.259%0.58924%0.239SC*.EExtended strand (participates in β ladder)trans-80.6110174.1-168.9-178.917600109Y59E53-Y59 HydrophobicContact CB-CD1 4.46Å; E53-Y59 HydrophobicContact CB-CE1 4.25Å; E53-Y59 HydrophobicContact CG-CE1 4.18Å
54A91.2Very high94.1Very high34 Ų3440.1 Ų40.128%0.28123%0.234SC..EExtended strand (participates in β ladder)trans-88.8172.317500000111.4N52 G57 K58 V60N52-A54 PolarHBondContact O-N 3.11Å; A54-G57 PolarHBondContact O-N 3.48Å; A54-K58 HydrophobicContact CB-CB 4.44Å; A54-K58 PolarHBondContact N-O 3.25Å; A54-V60 HydrophobicContact CB-CG2 3.86Å
55T87.6Confident94.4Very high136 Ų13637.8 Ų37.883%0.83422%0.222SC*.THydrogen-bonded Turntrans-56.8141.7177.449.90000112
56G88.4Confident94.7Very high81 Ų8133.1 Ų33.184%0.83520%0.2SC*.THydrogen-bonded Turntrans80.316-178.400000114.7K58G56-K58 VanDerWaalsContact C-N 3.32Å
57G89.3Confident95Very high33 Ų3331 Ų3134%0.3419%0.193SC..THydrogen-bonded Turntrans7226.6177.600000113.2A54A54-G57 PolarHBondContact O-N 3.48Å
58K94.9Very high95.1Very high95 Ų9530.6 Ų30.641%0.41319%0.19SC..EExtended strand (participates in β ladder)trans-90.9134.1177.4-70.7-168172.6-160.60110.4G34 A54 G56G34-K58 CarbonylContact O-C 3.57Å; G34-K58 WeakPolarHBondContact O-CA 3.36Å; A54-K58 HydrophobicContact CB-CB 4.44Å; A54-K58 PolarHBondContact N-O 3.25Å; G56-K58 VanDerWaalsContact C-N 3.32Å
59Y96.8Very high95.1Very high26 Ų2633.8 Ų33.810%0.10220%0.204CC..EExtended strand (participates in β ladder)trans-97.7125176-64-84.2000110.1I30 G34 L44 I47 E53 L84I30-Y59 HydrophobicContact CD1-CD2 3.41Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.41Å; I30-Y59 HydrophobicContact CD1-CE2 4.1Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; G34-Y59 WeakPolarHBondContact CA-O 3.22Å; G34-Y59 PolarHBondContact O-N 2.84Å; L44-Y59 HydrophobicContact CD2-CE1 4.42Å; L44-Y59 HydrophobicContact CD2-CE2 4.03Å; I47-Y59 HydrophobicContact CD1-CD1 3.52Å; I47-Y59 HydrophobicContact CD1-CD2 4.18Å; I47-Y59 HydrophobicContact CD1-CE1 3.77Å; I47-Y59 HydrophobicContact CD1-CE2 4.39Å; I47-Y59 HydrophobicContact CD1-CG 3.72Å; I47-Y59 HydrophobicContact CG1-CD1 4.01Å; I47-Y59 HydrophobicContact CG1-CE1 4.32Å; I47-Y59 HydrophobicContact CG2-CD1 4.04Å; I47-Y59 HydrophobicContact CG2-CE1 3.61Å; E53-Y59 HydrophobicContact CB-CD1 4.46Å; E53-Y59 HydrophobicContact CB-CE1 4.25Å; E53-Y59 HydrophobicContact CG-CE1 4.18Å; Y59-L84 WeakPolarHBondContact O-CD1 3.15Å
60V97.1Very high95Very high23 Ų2335.5 Ų35.514%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-119.1124.5-175.8-176.80000109.7Y51 N52 A54 R86Y51-V60 CarbonylContact C-O 3.48Å; Y51-V60 WeakPolarHBondContact CA-O 3.24Å; N52-V60 PolarHBondContact N-O 3.47Å; N52-V60 PolarHBondContact O-N 2.95Å; A54-V60 HydrophobicContact CB-CG2 3.86Å; V60-R86 HydrophobicContact CG1-CG 3.46Å; V60-R86 VanDerWaalsContact CG1-CG 3.46Å
61P97.6Very high94.8Very high1 Ų137.5 Ų37.51%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-52.7136.6176.1-3339.8000114.1W21 Y50 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 4.03Å; W21-P61 HydrophobicContact CD2-CG 4.16Å; W21-P61 HydrophobicContact CE3-CB 3.72Å; W21-P61 HydrophobicContact CE3-CG 3.67Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.36Å; W21-P61 HydrophobicContact CZ2-CB 3.8Å; W21-P61 HydrophobicContact CZ3-CB 3.47Å; W21-P61 VanDerWaalsContact CZ3-CB 3.47Å; W21-P61 HydrophobicContact CZ3-CG 3.79Å; Y50-P61 CarbonylContact O-C 3.57Å; Y51-P61 HydrophobicContact CD1-CG 4.18Å; Y51-P61 HydrophobicContact CE1-CG 3.79Å; P61-A63 HydrophobicContact CB-CB 3.81Å; P61-A63 PolarHBondContact O-N 3.09Å; P61-L84 VanDerWaalsContact CD-O 3.31Å; P61-L84 WeakPolarHBondContact CD-O 3.25Å; P61-L84 HydrophobicContact CG-CD1 4.47Å; P61-L84 HydrophobicContact CG-CD2 3.64Å; P61-L84 HydrophobicContact CG-CG 3.62Å; P61-F85 HydrophobicContact CB-CD1 3.99Å; P61-F85 HydrophobicContact CB-CE1 4.08Å; P61-F85 HydrophobicContact CG-CD1 4.07Å; P61-F85 HydrophobicContact CG-CE1 4.07Å
62R97.5Very high94.5Very high9 Ų938.1 Ų38.13%0.03424%0.24CC..  trans-7858.4162.3-60.7179.6-168.4-80.50.6109.3H6 N48 Y50 Y51 S126H6-R62 PolarHBondContact N-O 2.6Å; N48-R62 PolarHBondContact O-NE 2.87Å; Y50-R62 PolarHBondContact O-N 3.5Å; Y51-R62 PolarHBondContact O-NE 3.08Å; Y51-R62 PolarHBondContact O-NH2 3Å; R62-S126 PolarHBondContact NH1-O 3.36Å; R62-S126 PolarHBondContact NH1-OG 3.11Å; R62-S126 VanDerWaalsContact NH1-OG 3.13Å
63A97.9Very high94.4Very high1 Ų136.4 Ų36.41%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-113.2138.9-175.100000110.5H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.55Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 2.85Å; W21-A63 HydrophobicContact CH2-CB 4.48Å; W21-A63 HydrophobicContact CZ2-CB 3.54Å; P61-A63 HydrophobicContact CB-CB 3.81Å; P61-A63 PolarHBondContact O-N 3.09Å; A63-L65 HydrophobicContact CB-CD1 4.2Å; A63-F85 HydrophobicContact CB-CD1 3.77Å; A63-F85 HydrophobicContact CB-CE1 3.83Å; A63-N89 WeakPolarHBondContact O-CB 3.22Å; A63-N89 PolarHBondContact O-ND2 3.16Å
64I98.5Very high94.4Very high0 Ų034.6 Ų34.60%023%0.225CC..EExtended strand (participates in β ladder)trans-122.6122.6173.2-53.6174.3000107.2V5 H6 I7 Q8 V66 V116 V119 V120 E123V5-I64 HydrophobicContact CG1-CD1 3.77Å; V5-I64 HydrophobicContact CG1-CG1 4.33Å; H6-I64 PolarHBondContact O-N 3.5Å; I7-I64 WeakPolarHBondContact CA-O 3.46Å; I7-I64 HydrophobicContact CG1-CB 4.39Å; I7-I64 HydrophobicContact CG1-CD1 4.4Å; Q8-I64 PolarHBondContact N-O 2.76Å; I64-V66 HydrophobicContact CG2-CG2 3.9Å; I64-V116 HydrophobicContact CG2-CG1 4.3Å; I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.89Å; I64-V119 HydrophobicContact CG2-CB 4.46Å; I64-V119 HydrophobicContact CG2-CG1 4Å; I64-V120 VanDerWaalsContact CD1-CA 3.46Å; I64-V120 HydrophobicContact CD1-CB 4.07Å; I64-V120 HydrophobicContact CD1-CG2 3.54Å; I64-E123 HydrophobicContact CD1-CB 4.37Å; I64-E123 HydrophobicContact CD1-CG 4.24Å; I64-E123 HydrophobicContact CG1-CG 4.25Å
65L98.4Very high94.5Very high0 Ų037 Ų370%024%0.24CC..EExtended strand (participates in β ladder)trans-110.6117.3-174.5-6492.6000108.1N14 A63 M73 V76 F85 N89 F90 V91N14-L65 WeakPolarHBondContact OD1-CB 3.26Å; A63-L65 HydrophobicContact CB-CD1 4.2Å; L65-M73 HydrophobicContact CB-CE 4.38Å; L65-M73 HydrophobicContact CB-SD 4.05Å; L65-V76 HydrophobicContact CD2-CB 4.47Å; L65-V76 HydrophobicContact CD2-CG1 3.74Å; L65-F85 HydrophobicContact CD1-CB 4.22Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.42Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; L65-N89 PolarHBondContact N-O 3.01Å; L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.41Å; L65-F90 HydrophobicContact CD1-CZ 4.39Å; L65-F90 HydrophobicContact CD2-CD1 4.35Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.28Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; L65-V91 PolarHBondContact O-N 3.07Å
66V98Very high94.8Very high0 Ų031.1 Ų31.10%020%0.204CC..EExtended strand (participates in β ladder)trans-124.5127.4-170.9-172.20000109.6I7 Q8 G10 N14 I64 V91 V116 M147 L151I7-V66 HydrophobicContact CG2-CG2 4.4Å; Q8-V66 PolarHBondContact O-N 3.05Å; G10-V66 PolarHBondContact N-O 2.79Å; N14-V66 PolarHBondContact ND2-O 3Å; I64-V66 HydrophobicContact CG2-CG2 3.9Å; V66-V91 WeakPolarHBondContact CA-O 3.42Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.97Å; V66-M147 HydrophobicContact CG1-CE 3.33Å; V66-M147 HydrophobicContact CG1-SD 3.6Å; V66-L151 HydrophobicContact CG1-CD1 4.35Å
67D97.3Very high95.1Very high3 Ų331.7 Ų31.72%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-149.7153.8167-151.5-21.2000111.3Q11 E69 T72 M73 V91 F92 G93 T143Q11-D67 PolarHBondContact N-OD2 3.17Å; D67-E69 PolarHBondContact O-N 2.88Å; D67-T72 WeakPolarHBondContact OD2-CB 3.25Å; D67-T72 PolarHBondContact OD2-OG1 3.34Å; D67-M73 HydrophobicContact CB-CE 3.75Å; D67-V91 PolarHBondContact N-O 3.04Å; D67-F92 CarbonylContact O-C 3.56Å; D67-F92 WeakPolarHBondContact O-CA 3.45Å; D67-F92 VanDerWaalsContact O-CB 3.25Å; D67-F92 WeakPolarHBondContact O-CB 3.47Å; D67-G93 PolarHBondContact O-N 2.88Å; D67-T143 PolarHBondContact OD1-OG1 3.09Å
68L96.4Very high95.3Very high1 Ų134.4 Ų34.41%0.00520%0.2CC..SBendtrans-81.3-9.7176.3-67.7171.9000112.2G93 Q94 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.45Å; L68-G93 VanDerWaalsContact O-CA 3.32Å; L68-G93 WeakPolarHBondContact O-CA 3.4Å; L68-Q94 PolarHBondContact O-N 2.88Å; L68-S95 WeakPolarHBondContact CB-O 3.35Å; L68-S95 CarbonylContact O-C 3.56Å; L68-S95 PolarHBondContact O-N 2.81Å; L68-S95 VanDerWaalsContact O-O 3.09Å; L68-A97 HydrophobicContact CD1-CB 3.67Å; L68-E108 HydrophobicContact CD1-CB 3.95Å; L68-E108 HydrophobicContact CD2-CB 3.96Å; L68-E108 HydrophobicContact CG-CB 4.47Å; L68-L112 HydrophobicContact CD2-CB 4.32Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; L68-T143 HydrophobicContact CB-CG2 4.36Å; L68-T143 HydrophobicContact CD1-CG2 4.08Å; L68-T143 HydrophobicContact CG-CG2 3.8Å; L68-M147 HydrophobicContact CD2-SD 3.74Å; L68-M147 HydrophobicContact CG-SD 3.97Å
69E92.8Very high95.3Very high97 Ų9731.1 Ų31.145%0.45319%0.193SC..SBendtrans-125.3146.4178-62.2-175.9136.800112.1D67 G71 G96D67-E69 PolarHBondContact O-N 2.88Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.86Å; E69-G96 WeakPolarHBondContact OE1-CA 3.42Å; E69-G96 PolarHBondContact OE1-N 2.89Å
70P93.3Very high95.1Very high41 Ų4134.6 Ų34.627%0.26622%0.219SC..Hα-helixtrans-71.2-24.2-179.627.5-34.8000113.8T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 2.88Å; P70-M73 WeakPolarHBondContact O-CB 3.26Å; P70-M73 PolarHBondContact O-N 3.29Å; P70-D74 PolarHBondContact O-N 2.9Å; P70-F92 HydrophobicContact CB-CD2 3.93Å; P70-F92 HydrophobicContact CB-CE2 4.03Å
71G92Very high95Very high43 Ų4335.1 Ų35.144%0.44322%0.22SC..Hα-helixtrans-60-39.2-169.200000114.4E69 S75E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.86Å; G71-S75 PolarHBondContact O-N 3.02Å; G71-S75 PolarHBondContact O-OG 2.85Å
72T90.9Very high94.7Very high14 Ų1435.4 Ų35.49%0.08622%0.223CC..Hα-helixtrans-66.2-42.4174.4-55.10000111.1N14 D67 P70 S75 V76N14-T72 HydrophobicContact CB-CG2 3.51Å; D67-T72 WeakPolarHBondContact OD2-CB 3.25Å; D67-T72 PolarHBondContact OD2-OG1 3.34Å; P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 2.88Å; T72-S75 WeakPolarHBondContact O-CB 3.48Å; T72-S75 PolarHBondContact O-N 2.77Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.84Å
73M93.1Very high94.5Very high0 Ų043.1 Ų43.10%026%0.259CS..Hα-helixtrans-63.8-43.6-178.9-59-63.39400111.6N14 L65 D67 P70 S75 V76 R77 F90 F92N14-M73 HydrophobicContact CB-CE 4.19Å; N14-M73 VanDerWaalsContact CG-CE 3.4Å; N14-M73 WeakPolarHBondContact ND2-CE 3.29Å; N14-M73 WeakPolarHBondContact OD1-CE 3.4Å; L65-M73 HydrophobicContact CB-CE 4.38Å; L65-M73 HydrophobicContact CB-SD 4.05Å; D67-M73 HydrophobicContact CB-CE 3.75Å; P70-M73 WeakPolarHBondContact O-CB 3.26Å; P70-M73 PolarHBondContact O-N 3.29Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 2.61Å; M73-V76 PolarHBondContact O-N 2.91Å; M73-R77 WeakPolarHBondContact O-CB 3.4Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 3.26Å; M73-F90 HydrophobicContact CB-CD1 4.29Å; M73-F90 HydrophobicContact SD-CD1 3.76Å; M73-F92 HydrophobicContact CB-CD1 4.27Å; M73-F92 HydrophobicContact CG-CB 3.76Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.83Å
74D93.5Very high94.4Very high88 Ų8843.4 Ų43.447%0.47126%0.26SS..Hα-helixtrans-62.5-38.8176.3-70.3-24.1000111.4P70 R77 A78P70-D74 PolarHBondContact O-N 2.9Å; D74-R77 PolarHBondContact O-N 3.35Å; D74-A78 VanDerWaalsContact O-CB 3.27Å; D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.49Å
75S93.6Very high94.3Very high84 Ų8443.9 Ų43.959%0.58726%0.262SS*.Hα-helixtrans-63.9-42.8175.8-58.30000112.2G71 T72 M73 G79G71-S75 PolarHBondContact O-N 3.02Å; G71-S75 PolarHBondContact O-OG 2.85Å; T72-S75 WeakPolarHBondContact O-CB 3.48Å; T72-S75 PolarHBondContact O-N 2.77Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 2.61Å; S75-G79 PolarHBondContact O-N 2.91Å; S75-G79 VanDerWaalsContact O-N 3.12Å
76V94.3Very high94.1Very high14 Ų1446.7 Ų46.79%0.08527%0.273CS..Hα-helixtrans-66.8-44176.4176.30000111N14 A18 L65 T72 M73 A78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4.27Å; A18-V76 HydrophobicContact CB-CG1 4.49Å; A18-V76 HydrophobicContact CB-CG2 4.44Å; L65-V76 HydrophobicContact CD2-CB 4.47Å; L65-V76 HydrophobicContact CD2-CG1 3.74Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.84Å; M73-V76 PolarHBondContact O-N 2.91Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.23Å; V76-G79 PolarHBondContact O-N 2.99Å; V76-G82 WeakPolarHBondContact O-CA 3.36Å; V76-F85 HydrophobicContact CG1-CD2 4.29Å; V76-F85 HydrophobicContact CG1-CE2 4.02Å; V76-F90 HydrophobicContact CB-CE1 4.48Å; V76-F90 HydrophobicContact CG1-CE1 4.25Å
77R94.2Very high94Very high92 Ų9251.3 Ų51.335%0.34730%0.303SS..Hα-helixtrans-63-37.3178.2-75.5175.3177.9165-4.3113M73 D74 F90M73-R77 WeakPolarHBondContact O-CB 3.4Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 3.26Å; D74-R77 PolarHBondContact O-N 3.35Å; R77-F90 HydrophobicContact CG-CD1 4.29Å; R77-F90 HydrophobicContact CG-CE1 3.68Å; R77-F90 HydrophobicContact CG-CE2 4.42Å; R77-F90 HydrophobicContact CG-CZ 3.76Å; R77-F90 VanDerWaalsContact NH2-CB 3.31Å
78A94.1Very high93.9Very high90 Ų9056.2 Ų56.274%0.74433%0.33SS*.Hα-helixtrans-75.5-15174.900000112.9D74 V76D74-A78 VanDerWaalsContact O-CB 3.27Å; D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.49Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.23Å
79G93.3Very high94Very high26 Ų2656.2 Ų56.227%0.26833%0.329SS..SBendtrans-67.8162.917700000112.8S75 V76 F81 G82S75-G79 PolarHBondContact O-N 2.91Å; S75-G79 VanDerWaalsContact O-N 3.12Å; V76-G79 PolarHBondContact O-N 2.99Å; G79-F81 PolarHBondContact O-N 2.86Å; G79-F81 VanDerWaalsContact O-N 3.14Å; G79-G82 PolarHBondContact O-N 3Å
80P93Very high94.2Very high100 Ų10052.3 Ų52.365%0.64931%0.311SS*.THydrogen-bonded Turntrans-56.6-36.1-174.1-24.933.9000113.7P32P32-P80 VanDerWaalsContact CB-O 3.26Å; P32-P80 WeakPolarHBondContact CB-O 2.8Å
81F94.7Very high94.4Very high34 Ų3451 Ų5115%0.14930%0.303CS..THydrogen-bonded Turntrans-99.210.8179.8-72.7-99.6000113.5E22 P32 G79 Q83 L84E22-F81 HydrophobicContact CB-CD2 4.32Å; E22-F81 HydrophobicContact CB-CE2 4.12Å; E22-F81 HydrophobicContact CG-CD2 3.53Å; E22-F81 HydrophobicContact CG-CE2 3.75Å; E22-F81 HydrophobicContact CG-CG 4.26Å; P32-F81 HydrophobicContact CB-CD1 4.13Å; P32-F81 HydrophobicContact CB-CE1 4.32Å; P32-F81 HydrophobicContact CB-CG 4.35Å; P32-F81 HydrophobicContact CG-CD1 4.19Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.15Å; P32-F81 HydrophobicContact CG-CG 4.43Å; P32-F81 HydrophobicContact CG-CZ 3.92Å; G79-F81 PolarHBondContact O-N 2.86Å; G79-F81 VanDerWaalsContact O-N 3.14Å; F81-Q83 PolarHBondContact O-N 3.16Å; F81-L84 HydrophobicContact CD1-CD2 3.94Å; F81-L84 WeakPolarHBondContact O-CB 3.19Å; F81-L84 PolarHBondContact O-N 3.47Å
82G92.8Very high94.6Very high6 Ų651.9 Ų51.96%0.06229%0.294CS..G310 helixtrans-59.6-30.9-176.100000114.2V76 G79 L84V76-G82 WeakPolarHBondContact O-CA 3.36Å; G79-G82 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 3.01Å
83Q92.8Very high94.7Very high172 Ų17251.9 Ų51.980%0.80430%0.297SS*.G310 helixtrans-80-9178.4-62.8-174.61.700114.1F81 F85F81-Q83 PolarHBondContact O-N 3.16Å; Q83-F85 VanDerWaalsContact C-N 3.33Å
84L95.6Very high94.6Very high6 Ų659.2 Ų59.23%0.03133%0.331CS..G310 helixtrans-71.6-32.5179-17664.9000111.1S25 I30 G34 Y51 Y59 P61 F81 G82S25-L84 WeakPolarHBondContact OG-CD2 3.3Å; I30-L84 HydrophobicContact CG2-CD1 4.22Å; G34-L84 VanDerWaalsContact CA-CD1 3.47Å; Y51-L84 HydrophobicContact CE1-CD2 4.34Å; Y59-L84 WeakPolarHBondContact O-CD1 3.15Å; P61-L84 VanDerWaalsContact CD-O 3.31Å; P61-L84 WeakPolarHBondContact CD-O 3.25Å; P61-L84 HydrophobicContact CG-CD1 4.47Å; P61-L84 HydrophobicContact CG-CD2 3.64Å; P61-L84 HydrophobicContact CG-CG 3.62Å; F81-L84 HydrophobicContact CD1-CD2 3.94Å; F81-L84 WeakPolarHBondContact O-CB 3.19Å; F81-L84 PolarHBondContact O-N 3.47Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 3.01Å
85F96.3Very high94.3Very high10 Ų1057.7 Ų57.74%0.04433%0.327CS..SBendtrans-79.3147.2-177.1-57.4-68.8000112.6W21 P61 A63 L65 V76 Q83 F90W21-F85 HydrophobicContact CB-CE1 4.17Å; W21-F85 HydrophobicContact CB-CZ 3.76Å; W21-F85 AromaticContact CD1-CE1 3.32Å; W21-F85 AromaticContact CD1-CZ 3.39Å; W21-F85 AromaticContact CD2-CE1 3.98Å; W21-F85 HydrophobicContact CD2-CE1 3.98Å; W21-F85 HydrophobicContact CD2-CZ 4.46Å; W21-F85 AromaticContact CG-CE1 3.58Å; W21-F85 HydrophobicContact CG-CE1 3.58Å; W21-F85 AromaticContact CG-CZ 3.62Å; W21-F85 HydrophobicContact CG-CZ 3.62Å; W21-F85 AromaticContact NE1-CE1 3.58Å; P61-F85 HydrophobicContact CB-CD1 3.99Å; P61-F85 HydrophobicContact CB-CE1 4.08Å; P61-F85 HydrophobicContact CG-CD1 4.07Å; P61-F85 HydrophobicContact CG-CE1 4.07Å; A63-F85 HydrophobicContact CB-CD1 3.77Å; A63-F85 HydrophobicContact CB-CE1 3.83Å; L65-F85 HydrophobicContact CD1-CB 4.22Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.42Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; V76-F85 HydrophobicContact CG1-CD2 4.29Å; V76-F85 HydrophobicContact CG1-CE2 4.02Å; Q83-F85 VanDerWaalsContact C-N 3.33Å; F85-F90 HydrophobicContact CB-CE2 3.53Å; F85-F90 HydrophobicContact CB-CZ 3.73Å; F85-F90 HydrophobicContact CD2-CZ 4.08Å; F85-F90 HydrophobicContact CG-CE2 4.46Å; F85-F90 HydrophobicContact CG-CZ 4.21Å
86R95.2Very high94.1Very high59 Ų5954.2 Ų54.222%0.22331%0.305CS..  trans-64.2130.1171.5-69.2-174.5176169.1-4.3109.9N52 V60 D88 N89 F90 E123N52-R86 PolarHBondContact ND2-NH2 2.88Å; V60-R86 HydrophobicContact CG1-CG 3.46Å; V60-R86 VanDerWaalsContact CG1-CG 3.46Å; R86-D88 PolarHBondContact O-N 3.03Å; R86-N89 HydrophobicContact CB-CB 4.14Å; R86-N89 WeakPolarHBondContact CB-OD1 3.29Å; R86-N89 PolarHBondContact O-N 2.92Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.41Å; R86-E123 IonicContact CZ-OE1 3.95Å; R86-E123 IonicContact NH1-OE1 3.13Å; R86-E123 PolarHBondContact NH1-OE1 2.85Å; R86-E123 IonicContact NH1-OE2 2.84Å
87P94.7Very high93.8Very high98 Ų9853.7 Ų53.764%0.63630%0.302SS*.G310 helixtrans-55.3-38176.1-28.536.2000113.5N89 F90P87-N89 PolarHBondContact O-N 3.27Å; P87-F90 PolarHBondContact O-N 3Å
88D95.6Very high93.6Very high106 Ų10652.5 Ų52.557%0.56732%0.318SS*.G310 helixtrans-66.6-18.4178.7-63.5-5.9000113.4R86 F90 K122R86-D88 PolarHBondContact O-N 3.03Å; D88-F90 VanDerWaalsContact C-N 3.31Å; D88-K122 IonicContact OD2-NZ 2.71Å; D88-K122 PolarHBondContact OD2-NZ 3.08Å
89N97.4Very high93.6Very high0 Ų051.7 Ų51.70%030%0.301CS..G310 helixtrans-90.71.3-177.8-65.427.5000112.7A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.22Å; A63-N89 PolarHBondContact O-ND2 3.16Å; L65-N89 PolarHBondContact N-O 3.01Å; R86-N89 HydrophobicContact CB-CB 4.14Å; R86-N89 WeakPolarHBondContact CB-OD1 3.29Å; R86-N89 PolarHBondContact O-N 2.92Å; P87-N89 PolarHBondContact O-N 3.27Å; N89-V119 HydrophobicContact CB-CG1 4.21Å; N89-E123 VanDerWaalsContact ND2-CD 3.33Å; N89-E123 PolarHBondContact ND2-OE1 3.28Å
90F97.5Very high93.7Very high15 Ų1551 Ų517%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-89.8108.5167-67.6-99.5000108.5L65 M73 V76 R77 F85 R86 P87 D88 F92L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.41Å; L65-F90 HydrophobicContact CD1-CZ 4.39Å; L65-F90 HydrophobicContact CD2-CD1 4.35Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.28Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; M73-F90 HydrophobicContact CB-CD1 4.29Å; M73-F90 HydrophobicContact SD-CD1 3.76Å; V76-F90 HydrophobicContact CB-CE1 4.48Å; V76-F90 HydrophobicContact CG1-CE1 4.25Å; R77-F90 HydrophobicContact CG-CD1 4.29Å; R77-F90 HydrophobicContact CG-CE1 3.68Å; R77-F90 HydrophobicContact CG-CE2 4.42Å; R77-F90 HydrophobicContact CG-CZ 3.76Å; R77-F90 VanDerWaalsContact NH2-CB 3.31Å; F85-F90 HydrophobicContact CB-CE2 3.53Å; F85-F90 HydrophobicContact CB-CZ 3.73Å; F85-F90 HydrophobicContact CD2-CZ 4.08Å; F85-F90 HydrophobicContact CG-CE2 4.46Å; F85-F90 HydrophobicContact CG-CZ 4.21Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.41Å; P87-F90 PolarHBondContact O-N 3Å; D88-F90 VanDerWaalsContact C-N 3.31Å; F90-F92 HydrophobicContact CB-CD1 4.38Å; F90-F92 HydrophobicContact CB-CE1 4.46Å
91V97.7Very high93.9Very high15 Ų1546.4 Ų46.49%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-114.5118177.7-175.50000107.9L65 V66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 3.07Å; V66-V91 WeakPolarHBondContact CA-O 3.42Å; D67-V91 PolarHBondContact N-O 3.04Å; V91-L112 HydrophobicContact CG1-CD1 3.76Å; V91-L112 HydrophobicContact CG1-CD2 4.39Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; V91-V116 HydrophobicContact CB-CG2 3.99Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; V91-V119 HydrophobicContact CG2-CB 4.42Å; V91-V119 HydrophobicContact CG2-CG2 3.7Å
92F96.4Very high94.1Very high61 Ų6144.8 Ų44.827%0.26825%0.254SS..EExtended strand (participates in β ladder)trans-144.9148.4-177.458.8-85000115D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.56Å; D67-F92 WeakPolarHBondContact O-CA 3.45Å; D67-F92 VanDerWaalsContact O-CB 3.25Å; D67-F92 WeakPolarHBondContact O-CB 3.47Å; P70-F92 HydrophobicContact CB-CD2 3.93Å; P70-F92 HydrophobicContact CB-CE2 4.03Å; M73-F92 HydrophobicContact CB-CD1 4.27Å; M73-F92 HydrophobicContact CG-CB 3.76Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.83Å; F90-F92 HydrophobicContact CB-CD1 4.38Å; F90-F92 HydrophobicContact CB-CE1 4.46Å
93G93.7Very high94.3Very high14 Ų1446.7 Ų46.714%0.14426%0.261CS..  trans-83.5-176175.900000113.3D67 L68D67-G93 PolarHBondContact O-N 2.88Å; L68-G93 CarbonylContact O-C 3.45Å; L68-G93 VanDerWaalsContact O-CA 3.32Å; L68-G93 WeakPolarHBondContact O-CA 3.4Å
94Q90.9Very high94.5Very high154 Ų15438.5 Ų38.572%0.7222%0.222SC*.SBendtrans-107.1-14.5174.1-62.7-60.8-46.500112.9L68L68-Q94 PolarHBondContact O-N 2.88Å
95S87.3Confident94.6Very high55 Ų5539.3 Ų39.339%0.38523%0.226SC..SBendtrans-133.8124.7-170.5-65.50000109.8L68 E108L68-S95 WeakPolarHBondContact CB-O 3.35Å; L68-S95 CarbonylContact O-C 3.56Å; L68-S95 PolarHBondContact O-N 2.81Å; L68-S95 VanDerWaalsContact O-O 3.09Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 VanDerWaalsContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE1 3.4Å; S95-E108 WeakPolarHBondContact CB-OE2 3.29Å
96G88Confident94.7Very high11 Ų1142.9 Ų42.911%0.11324%0.24CC..  trans-72.1161.8179.400000114.5E69 G98 K103E69-G96 WeakPolarHBondContact OE1-CA 3.42Å; E69-G96 PolarHBondContact OE1-N 2.89Å; G96-G98 PolarHBondContact O-N 3.43Å; G96-K103 PolarHBondContact O-NZ 3.49Å
97A89.5Confident94.7Very high3 Ų341.9 Ų41.93%0.02524%0.24CC..  trans-74.6-8172.200000113.7L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.67Å; A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.82Å; A97-N100 WeakPolarHBondContact O-CB 3.03Å; A97-N100 PolarHBondContact O-N 3.45Å; A97-K103 HydrophobicContact CB-CB 4.4Å
98G90.1Very high94.7Very high67 Ų6739.1 Ų39.169%0.69122%0.219SC*.THydrogen-bonded Turntrans56.237.4177.600000114.2G96 N100G96-G98 PolarHBondContact O-N 3.43Å; G98-N100 PolarHBondContact O-N 3.28Å
99N92.5Very high94.7Very high74 Ų7434 Ų3440%0.39619%0.192SC..THydrogen-bonded Turntrans59.421.4-173.5-61.7-33.3000115.6A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.82Å; N99-T178 HydrophobicContact CB-CG2 3.64Å; N99-T178 PolarHBondContact ND2-OG1 3.03Å; N99-V180 WeakPolarHBondContact O-CG2 3.39Å; N99-N184 PolarHBondContact O-ND2 2.79Å
100N96.2Very high94.6Very high11 Ų1136 Ų366%0.05921%0.207CC..  trans-107118.6178.6-176.4-18.9000110.6A97 G98 A102 K103 G104 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.03Å; A97-N100 PolarHBondContact O-N 3.45Å; G98-N100 PolarHBondContact O-N 3.28Å; N100-A102 PolarHBondContact O-N 3.14Å; N100-A102 WeakPolarHBondContact OD1-CB 3.21Å; N100-A102 PolarHBondContact OD1-N 3.3Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 3.46Å; N100-K103 PolarHBondContact OD1-N 3.31Å; N100-G104 PolarHBondContact O-N 3.07Å; N100-G104 VanDerWaalsContact O-N 3.09Å; N100-W397 PolarHBondContact ND2-O 3.27Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.17Å
101W97.8Very high94.6Very high4 Ų442.8 Ų42.82%0.01524%0.24CC..Hα-helixtrans-58.9-43.8176.9-179.6105.4000111.9K103 G104 H105 Y106 S145 G146 T149 N184 L187 S188 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.29Å; W101-K103 PolarHBondContact O-N 3.22Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.27Å; W101-G104 PolarHBondContact O-N 3.42Å; W101-H105 HydrophobicContact CD2-CB 4.23Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.74Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.59Å; W101-H105 HydrophobicContact CZ2-CB 4.13Å; W101-H105 AromaticContact CZ2-CE1 3.96Å; W101-H105 AromaticContact CZ2-CG 3.75Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.4Å; W101-H105 HydrophobicContact CZ3-CB 3.8Å; W101-H105 AromaticContact CZ3-CG 3.87Å; W101-H105 WeakPolarHBondContact O-CB 3.24Å; W101-H105 PolarHBondContact O-N 3.08Å; W101-Y106 HydrophobicContact CH2-CE2 4.41Å; W101-Y106 HydrophobicContact CZ3-CD2 4.38Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; W101-S145 VanDerWaalsContact CD1-C 3.43Å; W101-S145 VanDerWaalsContact CD1-OG 3.27Å; W101-G146 VanDerWaalsContact CD1-CA 3.42Å; W101-G146 VanDerWaalsContact CD1-N 3.3Å; W101-G146 WeakPolarHBondContact O-CA 3.15Å; W101-T149 PolarHBondContact NE1-OG1 2.67Å; W101-N184 HydrophobicContact CB-CB 4.15Å; W101-N184 WeakPolarHBondContact CB-OD1 3.23Å; W101-N184 PolarHBondContact N-OD1 2.92Å; W101-L187 HydrophobicContact CB-CD1 4.33Å; W101-L187 HydrophobicContact CD2-CB 3.76Å; W101-L187 HydrophobicContact CD2-CD1 3.87Å; W101-L187 HydrophobicContact CD2-CG 4.43Å; W101-L187 HydrophobicContact CE3-CB 4.18Å; W101-L187 HydrophobicContact CE3-CD1 3.65Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.05Å; W101-L187 HydrophobicContact CG-CD1 4.15Å; W101-L187 HydrophobicContact CZ2-CB 4.15Å; W101-L187 HydrophobicContact CZ3-CD1 4.27Å; W101-S188 PolarHBondContact NE1-OG 3.17Å; W101-Q191 HydrophobicContact CZ2-CG 4.2Å; W101-Y398 HydrophobicContact CB-CE1 3.99Å; W101-M403 HydrophobicContact CE3-SD 4.14Å; W101-M403 HydrophobicContact CZ3-CE 4.31Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å
102A98Very high94.5Very high0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-63.8-36.9-179.200000111.7N100 G104 H105 Y106 Y398 E401 M403N100-A102 PolarHBondContact O-N 3.14Å; N100-A102 WeakPolarHBondContact OD1-CB 3.21Å; N100-A102 PolarHBondContact OD1-N 3.3Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-H105 PolarHBondContact O-N 3.03Å; A102-Y106 HydrophobicContact CB-CD2 4.19Å; A102-Y106 WeakPolarHBondContact O-CB 3.27Å; A102-Y106 PolarHBondContact O-N 3.39Å; A102-Y398 HydrophobicContact CB-CD1 3.76Å; A102-Y398 HydrophobicContact CB-CG 4.2Å; A102-E401 HydrophobicContact CB-CB 3.95Å; A102-E401 HydrophobicContact CB-CG 4.38Å; A102-M403 HydrophobicContact CB-CB 4.04Å; A102-M403 HydrophobicContact CB-SD 3.97Å
103K97Very high94.6Very high45 Ų4540.7 Ų40.720%0.19623%0.231CC..Iπ-helixtrans-64.8-40.7173.6-164.3170.8-164.9-126.50111.9G96 A97 N100 W101 H105 T107 E108 E401G96-K103 PolarHBondContact O-NZ 3.49Å; A97-K103 HydrophobicContact CB-CB 4.4Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 3.46Å; N100-K103 PolarHBondContact OD1-N 3.31Å; W101-K103 VanDerWaalsContact C-N 3.29Å; W101-K103 PolarHBondContact O-N 3.22Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.98Å; K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.29Å; K103-T107 VanDerWaalsContact CG-OG1 3.25Å; K103-T107 WeakPolarHBondContact CG-OG1 3.47Å; K103-T107 PolarHBondContact O-N 3.46Å; K103-T107 PolarHBondContact O-OG1 3.18Å; K103-E108 HydrophobicContact CD-CG 4.17Å; K103-E108 WeakPolarHBondContact CE-OE1 3.44Å; K103-E108 HydrophobicContact CG-CG 3.82Å; K103-E108 IonicContact NZ-OE1 2.92Å; K103-E108 PolarHBondContact NZ-OE1 3.21Å; K103-E108 PolarHBondContact O-N 3.14Å; K103-E401 HydrophobicContact CB-CG 4.07Å
104G97.2Very high94.7Very high0 Ų045.1 Ų45.10%025%0.251CS..Iπ-helixtrans-68.6-21.8174.100000114N100 W101 A102 G109 G146 M147N100-G104 PolarHBondContact O-N 3.07Å; N100-G104 VanDerWaalsContact O-N 3.09Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.27Å; W101-G104 PolarHBondContact O-N 3.42Å; A102-G104 VanDerWaalsContact C-N 3.34Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 2.99Å; G104-G146 CarbonylContact O-C 3.11Å; G104-M147 WeakPolarHBondContact O-CA 3.47Å; G104-M147 VanDerWaalsContact O-CB 3.31Å; G104-M147 WeakPolarHBondContact O-CB 3.4Å; G104-M147 PolarHBondContact O-N 2.83Å
105H98Very high95.1Very high23 Ų2340.7 Ų40.711%0.10624%0.237CC..Iπ-helixtrans-103.6-47.5-174.3-165.790.8000113W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.23Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.74Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.59Å; W101-H105 HydrophobicContact CZ2-CB 4.13Å; W101-H105 AromaticContact CZ2-CE1 3.96Å; W101-H105 AromaticContact CZ2-CG 3.75Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.4Å; W101-H105 HydrophobicContact CZ3-CB 3.8Å; W101-H105 AromaticContact CZ3-CG 3.87Å; W101-H105 WeakPolarHBondContact O-CB 3.24Å; W101-H105 PolarHBondContact O-N 3.08Å; A102-H105 PolarHBondContact O-N 3.03Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.98Å; H105-G146 PolarHBondContact ND1-O 2.75Å; H105-L150 WeakPolarHBondContact O-CD2 3.47Å
106Y97.2Very high95.6Very high86 Ų8638 Ų3834%0.33722%0.219SC..Iπ-helixtrans-99.4-20.6-170.9-69.3-62.4000114.7W101 A102 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.41Å; W101-Y106 HydrophobicContact CZ3-CD2 4.38Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; A102-Y106 HydrophobicContact CB-CD2 4.19Å; A102-Y106 WeakPolarHBondContact O-CB 3.27Å; A102-Y106 PolarHBondContact O-N 3.39Å; Y106-M403 HydrophobicContact CD2-CB 3.89Å; Y106-M403 HydrophobicContact CD2-CG 4.39Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.74Å; Y106-M403 HydrophobicContact CE2-SD 4.39Å; Y106-E407 PolarHBondContact OH-OE1 3.42Å; Y106-E407 PolarHBondContact OH-OE2 3.47Å
107T95.9Very high96.1Very high38 Ų3837.8 Ų37.823%0.23322%0.215CC..Iπ-helixtrans-119.9-93.4-175.860.20000111.7K103 G109 A110 E111 E401K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.29Å; K103-T107 VanDerWaalsContact CG-OG1 3.25Å; K103-T107 WeakPolarHBondContact CG-OG1 3.47Å; K103-T107 PolarHBondContact O-N 3.46Å; K103-T107 PolarHBondContact O-OG1 3.18Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.38Å; T107-A110 WeakPolarHBondContact O-CB 3.33Å; T107-A110 PolarHBondContact O-N 3.03Å; T107-A110 VanDerWaalsContact O-N 3.09Å; T107-E111 PolarHBondContact O-N 3.37Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.02Å; T107-E401 PolarHBondContact OG1-OE2 3.29Å
108E95.6Very high96.5Very high39 Ų3942.2 Ų42.218%0.18224%0.238CC..Hα-helixtrans-59.8-40.4-172.6-57-73.9-178.300112.3L68 S95 K103 L112L68-E108 HydrophobicContact CD1-CB 3.95Å; L68-E108 HydrophobicContact CD2-CB 3.96Å; L68-E108 HydrophobicContact CG-CB 4.47Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 VanDerWaalsContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE1 3.4Å; S95-E108 WeakPolarHBondContact CB-OE2 3.29Å; K103-E108 HydrophobicContact CD-CG 4.17Å; K103-E108 WeakPolarHBondContact CE-OE1 3.44Å; K103-E108 HydrophobicContact CG-CG 3.82Å; K103-E108 IonicContact NZ-OE1 2.92Å; K103-E108 PolarHBondContact NZ-OE1 3.21Å; K103-E108 PolarHBondContact O-N 3.14Å; E108-L112 PolarHBondContact O-N 3.36Å
109G95.4Very high96.9Very high0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-74-32.9177.100000113.7G104 T107 E111 L112 V113G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 2.99Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.38Å; G109-E111 VanDerWaalsContact C-N 3.29Å; G109-E111 PolarHBondContact O-N 3.43Å; G109-L112 PolarHBondContact O-N 3.02Å; G109-V113 WeakPolarHBondContact O-CB 3.46Å; G109-V113 PolarHBondContact O-N 3.33Å
110A95.7Very high97.2Very high40 Ų4036.3 Ų36.333%0.33119%0.191SC..Hα-helixtrans-65.6-33.4174.100000111.9T107 L112 V113T107-A110 WeakPolarHBondContact O-CB 3.33Å; T107-A110 PolarHBondContact O-N 3.03Å; T107-A110 VanDerWaalsContact O-N 3.09Å; A110-L112 VanDerWaalsContact C-N 3.34Å; A110-V113 WeakPolarHBondContact O-CG1 3.44Å
111E95.7Very high97.3Very high159 Ų15939.2 Ų39.274%0.74320%0.201SC*.Hα-helixtrans-70-30.9174.1-68.7-173.6179.800112.7T107 G109T107-E111 PolarHBondContact O-N 3.37Å; G109-E111 VanDerWaalsContact C-N 3.29Å; G109-E111 PolarHBondContact O-N 3.43Å
112L96.4Very high97.3Very high21 Ų2143.4 Ų43.411%0.1122%0.22CC..Hα-helixtrans-94.4-21-175.3-166.462.6000113.8L68 V91 E108 G109 A110 D114 S115 V116 M147L68-L112 HydrophobicContact CD2-CB 4.32Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; V91-L112 HydrophobicContact CG1-CD1 3.76Å; V91-L112 HydrophobicContact CG1-CD2 4.39Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; E108-L112 PolarHBondContact O-N 3.36Å; G109-L112 PolarHBondContact O-N 3.02Å; A110-L112 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 3.09Å; L112-S115 WeakPolarHBondContact O-CB 3.49Å; L112-S115 PolarHBondContact O-N 3Å; L112-S115 VanDerWaalsContact O-N 3.14Å; L112-V116 HydrophobicContact CG-CG2 4.36Å; L112-V116 PolarHBondContact O-N 3.41Å; L112-M147 HydrophobicContact CB-CE 3.83Å; L112-M147 HydrophobicContact CD2-CE 3.73Å; L112-M147 HydrophobicContact CD2-SD 4.27Å; L112-M147 HydrophobicContact CG-CE 3.84Å
113V97.5Very high97.3Very high10 Ų1043.5 Ų43.56%0.06122%0.22CC..Hα-helixtrans-56.3-44.3-169.671.70000113.2G109 A110 S115 V116 L117 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.46Å; G109-V113 PolarHBondContact O-N 3.33Å; A110-V113 WeakPolarHBondContact O-CG1 3.44Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 3.23Å; V113-V116 WeakPolarHBondContact O-CB 3.32Å; V113-V116 PolarHBondContact O-N 3.05Å; V113-L117 HydrophobicContact CG2-CD1 4.12Å; V113-L117 HydrophobicContact CG2-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CG 3.41Å; V113-L117 PolarHBondContact O-N 2.97Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.32Å; V113-L150 HydrophobicContact CG2-CD2 3.97Å; V113-L150 HydrophobicContact CG2-CG 4.02Å; V113-L151 HydrophobicContact CG2-CD2 3.76Å; V113-K154 HydrophobicContact CG2-CG 4.24Å
114D97.8Very high97.3Very high108 Ų10841.7 Ų41.758%0.57821%0.214SC*.Hα-helixtrans-62.4-39.2-178.2-71-21.9000111.6L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3.09Å; D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 2.81Å; D114-L117 PolarHBondContact O-N 2.71Å; D114-D118 PolarHBondContact O-N 3.42Å
115S97.8Very high97.3Very high60 Ų6048.7 Ų48.742%0.4225%0.247SC..Hα-helixtrans-65.3-35.5176.5-62.70000111.8L112 V113L112-S115 WeakPolarHBondContact O-CB 3.49Å; L112-S115 PolarHBondContact O-N 3Å; L112-S115 VanDerWaalsContact O-N 3.14Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 3.23Å
116V98.2Very high97.1Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-70.1-44.7174.6-178.60000110.4I64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151I64-V116 HydrophobicContact CG2-CG1 4.3Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.97Å; V91-V116 HydrophobicContact CB-CG2 3.99Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; L112-V116 HydrophobicContact CG-CG2 4.36Å; L112-V116 PolarHBondContact O-N 3.41Å; V113-V116 WeakPolarHBondContact O-CB 3.32Å; V113-V116 PolarHBondContact O-N 3.05Å; D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 2.81Å; V116-D118 VanDerWaalsContact C-N 3.27Å; V116-D118 PolarHBondContact O-N 2.77Å; V116-V119 WeakPolarHBondContact O-CB 3.32Å; V116-V119 PolarHBondContact O-N 3.38Å; V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.47Å; V116-M147 HydrophobicContact CG2-CE 3.63Å; V116-L151 HydrophobicContact CB-CD2 3.75Å; V116-L151 HydrophobicContact CG1-CD1 4.07Å; V116-L151 HydrophobicContact CG1-CD2 3.52Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.4Å
117L98.5Very high97.1Very high6 Ų646.2 Ų46.23%0.03124%0.244CC..Hα-helixtrans-61-35.6179.7-70172.4000112.1V113 D114 V119 V120 R121 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.12Å; V113-L117 HydrophobicContact CG2-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CG 3.41Å; V113-L117 PolarHBondContact O-N 2.97Å; D114-L117 PolarHBondContact O-N 2.71Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 2.86Å; L117-V120 PolarHBondContact O-N 3.43Å; L117-R121 WeakPolarHBondContact O-CB 3.42Å; L117-R121 PolarHBondContact O-N 2.86Å; L117-K154 HydrophobicContact CD1-CB 3.83Å; L117-K154 HydrophobicContact CD1-CG 4.26Å; L117-K154 HydrophobicContact CD2-CB 3.94Å; L117-K154 HydrophobicContact CG-CB 4.44Å; L117-I155 HydrophobicContact CD2-CG1 3.91Å
118D98.4Very high97Very high96 Ų9651.2 Ų51.251%0.51327%0.269SS..Hα-helixtrans-61.3-40.2173.1-77.4-14.2000112.6D114 V116 R121 K122D114-D118 PolarHBondContact O-N 3.42Å; V116-D118 VanDerWaalsContact C-N 3.27Å; V116-D118 PolarHBondContact O-N 2.77Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NH1 2.89Å; D118-R121 PolarHBondContact OD1-NH1 3.14Å; D118-K122 WeakPolarHBondContact O-CB 3.37Å; D118-K122 PolarHBondContact O-N 2.84Å
119V98.3Very high96.9Very high17 Ų1752.5 Ų52.510%0.10328%0.282CS..Hα-helixtrans-70.5-40.9174.6-179.50000111I64 N89 V91 V116 L117 R121 K122 E123I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.89Å; I64-V119 HydrophobicContact CG2-CB 4.46Å; I64-V119 HydrophobicContact CG2-CG1 4Å; N89-V119 HydrophobicContact CB-CG1 4.21Å; V91-V119 HydrophobicContact CG2-CB 4.42Å; V91-V119 HydrophobicContact CG2-CG2 3.7Å; V116-V119 WeakPolarHBondContact O-CB 3.32Å; V116-V119 PolarHBondContact O-N 3.38Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 2.86Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.68Å; V119-K122 PolarHBondContact O-N 2.86Å; V119-E123 PolarHBondContact O-N 2.96Å
120V98.5Very high97Very high0 Ų053.3 Ų53.30%029%0.286CS..Hα-helixtrans-56.6-47174.5173.60000110.2I7 I64 V116 L117 E123 A124 F133 I155 Y159I7-V120 HydrophobicContact CD1-CG2 4.03Å; I64-V120 VanDerWaalsContact CD1-CA 3.46Å; I64-V120 HydrophobicContact CD1-CB 4.07Å; I64-V120 HydrophobicContact CD1-CG2 3.54Å; V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.47Å; L117-V120 PolarHBondContact O-N 3.43Å; V120-E123 PolarHBondContact O-N 3.14Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.03Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.1Å; V120-I155 HydrophobicContact CG1-CD1 4.28Å; V120-I155 HydrophobicContact CG1-CG1 4.23Å; V120-I155 HydrophobicContact CG2-CD1 4.22Å; V120-Y159 HydrophobicContact CG1-CE2 4.37Å
121R98.3Very high96.9Very high71 Ų7152 Ų5227%0.26827%0.273SS..Hα-helixtrans-61.7-46.1178.7-165.5174.5-53.4106.93.9111.8L117 D118 V119 E123 A124 E125 E158 Y159L117-R121 WeakPolarHBondContact O-CB 3.42Å; L117-R121 PolarHBondContact O-N 2.86Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NH1 2.89Å; D118-R121 PolarHBondContact OD1-NH1 3.14Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.68Å; R121-E123 PolarHBondContact O-N 3.12Å; R121-A124 PolarHBondContact O-N 3.19Å; R121-E125 HydrophobicContact CG-CG 4.4Å; R121-E125 WeakPolarHBondContact O-CB 3.33Å; R121-E125 VanDerWaalsContact O-CG 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.47Å; R121-E125 PolarHBondContact O-N 2.71Å; R121-E158 IonicContact CZ-OE2 2.87Å; R121-E158 IonicContact NE-OE2 2.76Å; R121-E158 PolarHBondContact NE-OE2 3.45Å; R121-E158 VanDerWaalsContact NH2-CD 3.33Å; R121-E158 IonicContact NH2-OE1 2.78Å; R121-E158 PolarHBondContact NH2-OE1 3.49Å; R121-E158 IonicContact NH2-OE2 3.91Å; R121-E158 PolarHBondContact NH2-OE2 2.88Å; R121-Y159 WeakPolarHBondContact CA-OH 3.38Å
122K97.9Very high97Very high93 Ų9344.4 Ų44.440%0.40424%0.238SC..Hα-helixtrans-59.3-43.9176.2-178-178.9175.5-174.10112.5D88 D118 V119 S126D88-K122 IonicContact OD2-NZ 2.71Å; D88-K122 PolarHBondContact OD2-NZ 3.08Å; D118-K122 WeakPolarHBondContact O-CB 3.37Å; D118-K122 PolarHBondContact O-N 2.84Å; V119-K122 PolarHBondContact O-N 2.86Å; K122-S126 WeakPolarHBondContact O-CB 3.29Å; K122-S126 PolarHBondContact O-N 2.65Å
123E97.6Very high97.1Very high1 Ų143.5 Ų43.51%0.00523%0.233CC..Hα-helixtrans-71-39.7178.2-71.2-61.9145.500111.9V5 I64 R86 N89 V119 V120 R121 S126 C127V5-E123 HydrophobicContact CG1-CB 4.16Å; V5-E123 HydrophobicContact CG2-CB 4.06Å; I64-E123 HydrophobicContact CD1-CB 4.37Å; I64-E123 HydrophobicContact CD1-CG 4.24Å; I64-E123 HydrophobicContact CG1-CG 4.25Å; R86-E123 IonicContact CZ-OE1 3.95Å; R86-E123 IonicContact NH1-OE1 3.13Å; R86-E123 PolarHBondContact NH1-OE1 2.85Å; R86-E123 IonicContact NH1-OE2 2.84Å; N89-E123 VanDerWaalsContact ND2-CD 3.33Å; N89-E123 PolarHBondContact ND2-OE1 3.28Å; V119-E123 PolarHBondContact O-N 2.96Å; V120-E123 PolarHBondContact O-N 3.14Å; R121-E123 PolarHBondContact O-N 3.12Å; E123-S126 PolarHBondContact O-N 3.22Å; E123-S126 PolarHBondContact O-OG 2.89Å; E123-C127 PolarHBondContact O-SG 2.77Å
124A97.2Very high97.1Very high8 Ų843 Ų437%0.06623%0.23CC..Hα-helixtrans-62.4-46.1175.700000112.5V120 R121 S126 C127 L130 F133 Y159V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.03Å; R121-A124 PolarHBondContact O-N 3.19Å; A124-S126 PolarHBondContact O-N 2.85Å; A124-C127 VanDerWaalsContact O-CB 3.31Å; A124-C127 WeakPolarHBondContact O-CB 3.41Å; A124-C127 PolarHBondContact O-N 3.13Å; A124-C127 VanDerWaalsContact O-N 3.12Å; A124-L130 HydrophobicContact CB-CD2 3.87Å; A124-F133 HydrophobicContact CB-CZ 4.44Å; A124-Y159 HydrophobicContact CB-CE1 4.09Å
125E96.5Very high97.1Very high147 Ų14737.9 Ų37.969%0.68720%0.203SC*.Hα-helixtrans-66.2-24.1176.3-72.6175175.800112.6R121 C127R121-E125 HydrophobicContact CG-CG 4.4Å; R121-E125 WeakPolarHBondContact O-CB 3.33Å; R121-E125 VanDerWaalsContact O-CG 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.47Å; R121-E125 PolarHBondContact O-N 2.71Å; E125-C127 PolarHBondContact O-N 2.79Å
126S95.2Very high97.1Very high39 Ų3935 Ų3527%0.27318%0.183SC..THydrogen-bonded Turntrans-81.11.2174.583.50000114.2R62 K122 E123 A124R62-S126 PolarHBondContact NH1-O 3.36Å; R62-S126 PolarHBondContact NH1-OG 3.11Å; R62-S126 VanDerWaalsContact NH1-OG 3.13Å; K122-S126 WeakPolarHBondContact O-CB 3.29Å; K122-S126 PolarHBondContact O-N 2.65Å; E123-S126 PolarHBondContact O-N 3.22Å; E123-S126 PolarHBondContact O-OG 2.89Å; A124-S126 PolarHBondContact O-N 2.85Å
127C96.2Very high97.1Very high17 Ų1735 Ų3512%0.11518%0.183CC..  trans-93.3137.1174.8-61.70000110.2E3 E123 A124 E125 L130E3-C127 HydrophobicContact CB-CB 3.94Å; E3-C127 HydrophobicContact CG-CB 4.33Å; E123-C127 PolarHBondContact O-SG 2.77Å; A124-C127 VanDerWaalsContact O-CB 3.31Å; A124-C127 WeakPolarHBondContact O-CB 3.41Å; A124-C127 PolarHBondContact O-N 3.13Å; A124-C127 VanDerWaalsContact O-N 3.12Å; E125-C127 PolarHBondContact O-N 2.79Å; C127-L130 HydrophobicContact CB-CB 4.04Å
128D94.4Very high97.1Very high143 Ų14335.5 Ų35.577%0.76519%0.186SC*.SBendtrans-70.1-36.8175.2-66.6-34.3000111.4E3E3-D128 PolarHBondContact OE2-N 3.1Å
129C93.8Very high97Very high66 Ų6631.1 Ų31.145%0.44616%0.163SC..SBendtrans-152.483.4174.8171.50000109.8M1 R2 E3 Q131M1-C129 VanDerWaalsContact O-CB 3.27Å; M1-C129 WeakPolarHBondContact O-CB 3.15Å; R2-C129 WeakPolarHBondContact CA-O 3.43Å; E3-C129 PolarHBondContact N-O 3.31Å; E3-C129 VanDerWaalsContact N-O 3.11Å; E3-C129 WeakPolarHBondContact OE2-CA 3.48Å; E3-C129 PolarHBondContact OE2-N 2.83Å; E3-C129 VanDerWaalsContact OE2-O 3.04Å; C129-Q131 PolarHBondContact O-N 3.43Å
130L96.3Very high96.7Very high17 Ų1730.3 Ų30.39%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-54.1123.6173.3179.668.6000111.2V5 A124 C127 G132 F133 Y159 R162V5-L130 HydrophobicContact CG2-CD1 3.87Å; A124-L130 HydrophobicContact CB-CD2 3.87Å; C127-L130 HydrophobicContact CB-CB 4.04Å; L130-G132 WeakPolarHBondContact CD1-O 3.49Å; L130-F133 HydrophobicContact CD2-CE1 4.33Å; L130-F133 HydrophobicContact CD2-CE2 4.02Å; L130-F133 HydrophobicContact CD2-CZ 3.66Å; L130-Y159 HydrophobicContact CD2-CD1 4.27Å; L130-Y159 HydrophobicContact CD2-CE1 4.39Å; L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.43Å; L130-R162 PolarHBondContact O-NE 3.29Å
131Q94.6Very high96.4Very high13 Ų1331.1 Ų31.16%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-87.8-39.1173.3175.5166.26400112.6R2 E3 C129 I163 D249 L250R2-Q131 HydrophobicContact CB-CB 4.14Å; E3-Q131 WeakPolarHBondContact O-CB 3.47Å; E3-Q131 PolarHBondContact O-N 2.92Å; C129-Q131 PolarHBondContact O-N 3.43Å; Q131-I163 PolarHBondContact O-N 2.83Å; Q131-I163 VanDerWaalsContact O-N 3.15Å; Q131-D249 VanDerWaalsContact NE2-C 3.33Å; Q131-D249 PolarHBondContact NE2-OD1 3.33Å; Q131-L250 VanDerWaalsContact CD-N 3.25Å; Q131-L250 HydrophobicContact CG-CB 3.92Å; Q131-L250 HydrophobicContact CG-CD1 4.12Å; Q131-L250 HydrophobicContact CG-CG 4.24Å
132G97Very high96.2Very high0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans171.7-178.5-168.400000113.9V5 L130 I163V5-G132 PolarHBondContact N-O 2.95Å; L130-G132 WeakPolarHBondContact CD1-O 3.49Å; G132-I163 CarbonylContact C-O 3.47Å; G132-I163 WeakPolarHBondContact CA-O 3.22Å
133F98.4Very high96.1Very high2 Ų224.1 Ų24.11%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-113.8142.2178-57-86000108.7V5 I7 V120 A124 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.76Å; V5-F133 HydrophobicContact CB-CE1 4.01Å; V5-F133 HydrophobicContact CG1-CD1 4.09Å; V5-F133 HydrophobicContact CG1-CE1 4.31Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.38Å; I7-F133 HydrophobicContact CD1-CD1 4.17Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.1Å; A124-F133 HydrophobicContact CB-CZ 4.44Å; L130-F133 HydrophobicContact CD2-CE1 4.33Å; L130-F133 HydrophobicContact CD2-CE2 4.02Å; L130-F133 HydrophobicContact CD2-CZ 3.66Å; F133-I155 HydrophobicContact CD1-CG2 4.15Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.21Å; F133-I155 HydrophobicContact CE2-CG2 3.38Å; F133-I155 HydrophobicContact CG-CG2 3.73Å; F133-I155 HydrophobicContact CZ-CG2 3.83Å; F133-Y159 HydrophobicContact CE2-CD1 4.33Å; F133-Y159 AromaticContact CE2-CD2 3.76Å; F133-Y159 HydrophobicContact CE2-CD2 3.76Å; F133-Y159 HydrophobicContact CE2-CE2 4.47Å; F133-Y159 AromaticContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CZ-CD1 4.19Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.41Å; F133-Y159 AromaticContact CZ-CE2 3.84Å; F133-Y159 HydrophobicContact CZ-CE2 3.84Å; F133-Y159 AromaticContact CZ-CG 3.77Å; F133-Y159 HydrophobicContact CZ-CG 3.77Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; F133-I163 PolarHBondContact N-O 3.33Å; F133-M164 HydrophobicContact CB-CE 3.92Å; F133-M164 HydrophobicContact CB-SD 3.92Å; F133-M164 HydrophobicContact CD2-CE 4.23Å; F133-M164 HydrophobicContact CG-CE 4.31Å; F133-N165 PolarHBondContact O-N 3.48Å
134Q98Very high96.1Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-118.8116.7172.2-176.8-173.312.700107.7I4 V5 H6 I7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.8Å; V5-Q134 PolarHBondContact O-N 3.03Å; H6-Q134 CarbonylContact C-O 3.55Å; H6-Q134 WeakPolarHBondContact CA-O 3.48Å; H6-Q134 PolarHBondContact CD2-O 3.35Å; I7-Q134 PolarHBondContact N-O 2.82Å; Y50-Q134 PolarHBondContact OH-OE1 3.21Å; Q134-N165 CarbonylContact C-O 3.46Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.36Å; Q134-F167 HydrophobicContact CG-CD2 3.88Å; Q134-F167 HydrophobicContact CG-CE2 3.81Å
135L98.4Very high96.1Very high0 Ų023.9 Ų23.90%014%0.138CC..EExtended strand (participates in β ladder)trans-110.9129.1-179.6-175.4146.8000111.1I7 H137 I152 N165 T166 F167I7-L135 HydrophobicContact CB-CB 4.45Å; I7-L135 HydrophobicContact CB-CD1 4.33Å; I7-L135 HydrophobicContact CB-CG 4.38Å; I7-L135 HydrophobicContact CG2-CD1 4.09Å; I7-L135 HydrophobicContact CG2-CG 4.45Å; I7-L135 CarbonylContact O-C 3.11Å; I7-L135 WeakPolarHBondContact O-CA 3.21Å; L135-H137 HydrophobicContact CD2-CB 3.49Å; L135-H137 VanDerWaalsContact CD2-CB 3.49Å; L135-I152 HydrophobicContact CD1-CD1 4.34Å; L135-I152 HydrophobicContact CD1-CG1 3.83Å; L135-I152 HydrophobicContact CD2-CD1 4.14Å; L135-N165 PolarHBondContact N-O 3.09Å; L135-T166 HydrophobicContact CB-CG2 4.38Å; L135-T166 CarbonylContact O-C 3.14Å; L135-T166 VanDerWaalsContact O-CA 3.23Å; L135-T166 WeakPolarHBondContact O-CA 3.21Å; L135-F167 PolarHBondContact O-N 2.94Å
136T98.5Very high96.1Very high0 Ų016.9 Ų16.90%011%0.106CC..EExtended strand (participates in β ladder)trans-110.1121.1173.8-540000109.4H6 I7 A9 G13 I16 F167 M233H6-T136 PolarHBondContact NE2-OG1 2.96Å; I7-T136 PolarHBondContact O-N 2.86Å; A9-T136 PolarHBondContact N-O 2.82Å; G13-T136 VanDerWaalsContact CA-O 3.24Å; G13-T136 WeakPolarHBondContact CA-O 3.33Å; I16-T136 HydrophobicContact CB-CG2 3.92Å; I16-T136 HydrophobicContact CD1-CG2 4.34Å; I16-T136 HydrophobicContact CG2-CG2 3.66Å; T136-F167 HydrophobicContact CG2-CB 4.23Å; T136-M233 HydrophobicContact CG2-CE 4.42Å; T136-M233 WeakPolarHBondContact OG1-CE 3.33Å
137H98.2Very high96.2Very high0 Ų015 Ų150%09%0.093CC..EExtended strand (participates in β ladder)trans-154.5172.5-175.272.2159.8000113A9 L135 L139 G144 F167 S168 V169A9-H137 HydrophobicContact CB-CB 4.19Å; L135-H137 HydrophobicContact CD2-CB 3.49Å; L135-H137 VanDerWaalsContact CD2-CB 3.49Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.39Å; H137-G144 WeakPolarHBondContact CB-O 3.33Å; H137-G144 PolarHBondContact ND1-O 2.7Å; H137-F167 PolarHBondContact N-O 3.3Å; H137-F167 VanDerWaalsContact N-O 3.14Å; H137-S168 PolarHBondContact CD2-OG 2.9Å; H137-S168 PolarHBondContact NE2-OG 3.19Å; H137-V169 PolarHBondContact O-N 2.79Å
138S96.5Very high96.3Very high15 Ų1514.2 Ų14.211%0.1059%0.087CC..EExtended strand (participates in β ladder)trans-113.7133.4173.11660000110.3G140 G141 G144 S145S138-G140 VanDerWaalsContact C-N 3.27Å; S138-G140 PolarHBondContact O-N 3.2Å; S138-G140 PolarHBondContact OG-N 2.99Å; S138-G141 PolarHBondContact OG-N 2.95Å; S138-G144 CarbonylContact O-C 3.55Å; S138-S145 WeakPolarHBondContact O-CA 3.42Å; S138-S145 WeakPolarHBondContact O-CB 3.26Å; S138-S145 PolarHBondContact O-N 2.88Å
139L96.7Very high96.5Very high4 Ų47.4 Ų7.42%0.0215%0.051CC..SBendtrans-77.6-14.3176.6-47.7-172.5000112.4H137 S145 V169 V170 N184 A185 V189 L192H137-L139 WeakPolarHBondContact NE2-CD2 3.39Å; L139-S145 WeakPolarHBondContact O-CB 3.41Å; L139-V169 PolarHBondContact N-O 2.76Å; L139-V170 HydrophobicContact CD1-CG2 3.99Å; L139-N184 CarbonylContact O-C 3.45Å; L139-N184 VanDerWaalsContact O-CB 3.23Å; L139-N184 WeakPolarHBondContact O-CB 3.28Å; L139-A185 HydrophobicContact CB-CB 4.31Å; L139-A185 WeakPolarHBondContact O-CA 3.38Å; L139-A185 PolarHBondContact O-N 3.46Å; L139-A185 VanDerWaalsContact O-N 3.1Å; L139-V189 HydrophobicContact CD1-CG2 4.18Å; L139-L192 HydrophobicContact CD1-CD1 4.13Å; L139-L192 HydrophobicContact CD2-CD1 3.65Å
140G93.1Very high96.7Very high0 Ų05 Ų50%03%0.033CC..SBendtrans-93.9-23.218000000114.6S138 N184S138-G140 VanDerWaalsContact C-N 3.27Å; S138-G140 PolarHBondContact O-N 3.2Å; S138-G140 PolarHBondContact OG-N 2.99Å; G140-N184 PolarHBondContact O-ND2 3.48Å
141G91.9Very high96.8Very high17 Ų174.1 Ų4.118%0.1753%0.029CC..SBendtrans-73.4-179.3-178.400000113.1S138 S145 N184S138-G141 PolarHBondContact OG-N 2.95Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-OG 3.27Å; G141-N184 PolarHBondContact O-ND2 2.88Å
142G94.1Very high97Very high4 Ų43.5 Ų3.54%0.0413%0.026CC..SBendtrans-90.2-51.8171.200000112.3G146G142-G146 PolarHBondContact O-N 3.22Å
143T96.4Very high97Very high13 Ų134.5 Ų4.58%0.083%0.033CC..Iπ-helixtrans-67.6-51.3177.3-47.10000111.8D67 L68 S145 M147 G148D67-T143 PolarHBondContact OD1-OG1 3.09Å; L68-T143 HydrophobicContact CB-CG2 4.36Å; L68-T143 HydrophobicContact CD1-CG2 4.08Å; L68-T143 HydrophobicContact CG-CG2 3.8Å; T143-S145 VanDerWaalsContact C-N 3.28Å; T143-S145 PolarHBondContact O-N 3.37Å; T143-M147 HydrophobicContact CG2-CB 4.23Å; T143-M147 HydrophobicContact CG2-SD 4.09Å; T143-M147 WeakPolarHBondContact O-CA 3.21Å; T143-M147 VanDerWaalsContact O-CB 3.24Å; T143-M147 WeakPolarHBondContact O-CB 3.35Å; T143-M147 PolarHBondContact O-N 2.9Å; T143-M147 VanDerWaalsContact O-N 3.15Å; T143-G148 PolarHBondContact O-N 3.27Å
144G96Very high97Very high4 Ų47.6 Ų7.64%0.0415%0.046CC..Iπ-helixtrans-59.9-40.3-177.400000112H137 S138 G148H137-G144 WeakPolarHBondContact CB-O 3.33Å; H137-G144 PolarHBondContact ND1-O 2.7Å; S138-G144 CarbonylContact O-C 3.55Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.39Å; G144-G148 PolarHBondContact O-N 2.91Å
145S97Very high97Very high0 Ų07.6 Ų7.60%05%0.047CC..Iπ-helixtrans-83-62.4-175.476.70000110.6W101 S138 L139 G141 T143 T149 S188W101-S145 VanDerWaalsContact CD1-C 3.43Å; W101-S145 VanDerWaalsContact CD1-OG 3.27Å; S138-S145 WeakPolarHBondContact O-CA 3.42Å; S138-S145 WeakPolarHBondContact O-CB 3.26Å; S138-S145 PolarHBondContact O-N 2.88Å; L139-S145 WeakPolarHBondContact O-CB 3.41Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-OG 3.27Å; T143-S145 VanDerWaalsContact C-N 3.28Å; T143-S145 PolarHBondContact O-N 3.37Å; S145-T149 WeakPolarHBondContact O-CB 3.37Å; S145-T149 VanDerWaalsContact O-CG2 3.32Å; S145-T149 WeakPolarHBondContact O-CG2 3.34Å; S145-T149 PolarHBondContact O-N 3.32Å; S145-T149 PolarHBondContact O-OG1 3.16Å; S145-S188 VanDerWaalsContact CA-OG 3.3Å; S145-S188 WeakPolarHBondContact CA-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.36Å; S145-S188 PolarHBondContact O-OG 3.05Å
146G97.4Very high97Very high0 Ų09.6 Ų9.60%05%0.054CC..Iπ-helixtrans-68.9-55.7-17400000113.2W101 G104 H105 G142 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.42Å; W101-G146 VanDerWaalsContact CD1-N 3.3Å; W101-G146 WeakPolarHBondContact O-CA 3.15Å; G104-G146 CarbonylContact O-C 3.11Å; H105-G146 PolarHBondContact ND1-O 2.75Å; G142-G146 PolarHBondContact O-N 3.22Å; G146-T149 PolarHBondContact O-OG1 3.32Å; G146-L150 WeakPolarHBondContact O-CB 3.35Å; G146-L150 PolarHBondContact O-N 2.88Å
147M97.3Very high96.9Very high0 Ų014.9 Ų14.90%08%0.079CC..Iπ-helixtrans-71.8-38.7179.6-170.9-171.5-178.300110.8V66 L68 G104 L112 V116 T143 T149 L150 L151V66-M147 HydrophobicContact CG1-CE 3.33Å; V66-M147 HydrophobicContact CG1-SD 3.6Å; L68-M147 HydrophobicContact CD2-SD 3.74Å; L68-M147 HydrophobicContact CG-SD 3.97Å; G104-M147 WeakPolarHBondContact O-CA 3.47Å; G104-M147 VanDerWaalsContact O-CB 3.31Å; G104-M147 WeakPolarHBondContact O-CB 3.4Å; G104-M147 PolarHBondContact O-N 2.83Å; L112-M147 HydrophobicContact CB-CE 3.83Å; L112-M147 HydrophobicContact CD2-CE 3.73Å; L112-M147 HydrophobicContact CD2-SD 4.27Å; L112-M147 HydrophobicContact CG-CE 3.84Å; V116-M147 HydrophobicContact CG2-CE 3.63Å; T143-M147 HydrophobicContact CG2-CB 4.23Å; T143-M147 HydrophobicContact CG2-SD 4.09Å; T143-M147 WeakPolarHBondContact O-CA 3.21Å; T143-M147 VanDerWaalsContact O-CB 3.24Å; T143-M147 WeakPolarHBondContact O-CB 3.35Å; T143-M147 PolarHBondContact O-N 2.9Å; T143-M147 VanDerWaalsContact O-N 3.15Å; M147-T149 PolarHBondContact O-N 2.73Å; M147-L150 PolarHBondContact O-N 3.33Å; M147-L151 HydrophobicContact CE-CD1 4.3Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 HydrophobicContact CG-CG 4.5Å; M147-L151 WeakPolarHBondContact O-CB 3.37Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.13Å; M147-L151 PolarHBondContact O-N 2.83Å
148G97.9Very high96.9Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-59-46.8176.400000112.2T143 G144 L151 I152T143-G148 PolarHBondContact O-N 3.27Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.39Å; G144-G148 PolarHBondContact O-N 2.91Å; G148-L151 PolarHBondContact O-N 3.01Å; G148-I152 VanDerWaalsContact O-CG1 3.32Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 2.74Å
149T98.2Very high97Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-73.6-30.5177.459.90000113.8W101 S145 G146 M147 L151 I152 S153 Q191 L192W101-T149 PolarHBondContact NE1-OG1 2.67Å; S145-T149 WeakPolarHBondContact O-CB 3.37Å; S145-T149 VanDerWaalsContact O-CG2 3.32Å; S145-T149 WeakPolarHBondContact O-CG2 3.34Å; S145-T149 PolarHBondContact O-N 3.32Å; S145-T149 PolarHBondContact O-OG1 3.16Å; G146-T149 PolarHBondContact O-OG1 3.32Å; M147-T149 PolarHBondContact O-N 2.73Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-I152 HydrophobicContact CG2-CD1 4.46Å; T149-I152 PolarHBondContact O-N 2.86Å; T149-S153 PolarHBondContact O-N 3.22Å; T149-Q191 HydrophobicContact CG2-CB 3.95Å; T149-L192 HydrophobicContact CG2-CG 4.49Å
150L98.2Very high97Very high15 Ų1523.5 Ų23.58%0.07912%0.122CC..Hα-helixtrans-58.7-47169.2178.663.4000111.3H105 V113 G146 M147 I152 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.47Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.32Å; V113-L150 HydrophobicContact CG2-CD2 3.97Å; V113-L150 HydrophobicContact CG2-CG 4.02Å; G146-L150 WeakPolarHBondContact O-CB 3.35Å; G146-L150 PolarHBondContact O-N 2.88Å; M147-L150 PolarHBondContact O-N 3.33Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.12Å; L150-S153 PolarHBondContact O-N 3.28Å; L150-K154 HydrophobicContact CD1-CG 4.37Å; L150-K154 WeakPolarHBondContact O-CG 3Å; L150-K154 PolarHBondContact O-N 3.17Å
151L98.3Very high97.1Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-61-42.6176.8-73.7169.6000111.5V66 V113 V116 M147 G148 T149 S153 K154 I155V66-L151 HydrophobicContact CG1-CD1 4.35Å; V113-L151 HydrophobicContact CG2-CD2 3.76Å; V116-L151 HydrophobicContact CB-CD2 3.75Å; V116-L151 HydrophobicContact CG1-CD1 4.07Å; V116-L151 HydrophobicContact CG1-CD2 3.52Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.4Å; M147-L151 HydrophobicContact CE-CD1 4.3Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 HydrophobicContact CG-CG 4.5Å; M147-L151 WeakPolarHBondContact O-CB 3.37Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.13Å; M147-L151 PolarHBondContact O-N 2.83Å; G148-L151 PolarHBondContact O-N 3.01Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.81Å; L151-K154 PolarHBondContact O-N 3.23Å; L151-I155 WeakPolarHBondContact O-CB 3.49Å; L151-I155 WeakPolarHBondContact O-CD1 3.43Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 3.21Å
152I98.5Very high97.3Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-56.9-50.5176.1-71.5169.3000110.7L135 G148 T149 L150 K154 I155 R156 M164 T166 L192 N195 T196L135-I152 HydrophobicContact CD1-CD1 4.34Å; L135-I152 HydrophobicContact CD1-CG1 3.83Å; L135-I152 HydrophobicContact CD2-CD1 4.14Å; G148-I152 VanDerWaalsContact O-CG1 3.32Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 2.74Å; T149-I152 HydrophobicContact CG2-CD1 4.46Å; T149-I152 PolarHBondContact O-N 2.86Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.12Å; I152-K154 PolarHBondContact O-N 3.26Å; I152-I155 PolarHBondContact O-N 2.86Å; I152-R156 WeakPolarHBondContact O-CB 3.09Å; I152-R156 PolarHBondContact O-N 3.21Å; I152-M164 HydrophobicContact CG1-SD 4.26Å; I152-M164 HydrophobicContact CG2-CG 4.07Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; I152-L192 HydrophobicContact CD1-CD2 3.63Å; I152-N195 HydrophobicContact CG2-CB 3.47Å; I152-N195 VanDerWaalsContact CG2-CB 3.47Å; I152-T196 HydrophobicContact CD1-CG2 4.23Å; I152-T196 HydrophobicContact CG2-CG2 3.81Å
153S98Very high97.4Very high21 Ų2132.5 Ų32.515%0.14716%0.159CC..Hα-helixtrans-58.6-47.7178.6-175.60000111.3T149 L150 L151 I155 R156 E157T149-S153 PolarHBondContact O-N 3.22Å; L150-S153 PolarHBondContact O-N 3.28Å; L151-S153 PolarHBondContact O-N 2.81Å; S153-I155 PolarHBondContact O-N 3.14Å; S153-R156 WeakPolarHBondContact O-CB 2.98Å; S153-R156 PolarHBondContact O-N 3.11Å; S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 3.19Å
154K98.3Very high97.5Very high66 Ų6632 Ų3229%0.28716%0.156SC..Hα-helixtrans-67.8-38.2-178.4-68.4-71162.6-1370113.3V113 L117 L150 L151 I152 R156 E157 E158V113-K154 HydrophobicContact CG2-CG 4.24Å; L117-K154 HydrophobicContact CD1-CB 3.83Å; L117-K154 HydrophobicContact CD1-CG 4.26Å; L117-K154 HydrophobicContact CD2-CB 3.94Å; L117-K154 HydrophobicContact CG-CB 4.44Å; L150-K154 HydrophobicContact CD1-CG 4.37Å; L150-K154 WeakPolarHBondContact O-CG 3Å; L150-K154 PolarHBondContact O-N 3.17Å; L151-K154 PolarHBondContact O-N 3.23Å; I152-K154 PolarHBondContact O-N 3.26Å; K154-R156 VanDerWaalsContact C-N 3.33Å; K154-E157 VanDerWaalsContact NZ-CD 3.26Å; K154-E157 IonicContact NZ-OE1 2.84Å; K154-E157 PolarHBondContact NZ-OE1 2.79Å; K154-E157 IonicContact NZ-OE2 2.84Å; K154-E157 PolarHBondContact NZ-OE2 3.22Å; K154-E157 WeakPolarHBondContact O-CB 3.44Å; K154-E157 PolarHBondContact O-N 2.97Å; K154-E158 PolarHBondContact O-N 3.09Å
155I98.4Very high97.6Very high1 Ų131.8 Ų31.81%0.00515%0.154CC..Hα-helixtrans-68-37.5174.9-66.2167.7000110.4I7 L117 V120 F133 L151 I152 S153 E157 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.35Å; L117-I155 HydrophobicContact CD2-CG1 3.91Å; V120-I155 HydrophobicContact CG1-CD1 4.28Å; V120-I155 HydrophobicContact CG1-CG1 4.23Å; V120-I155 HydrophobicContact CG2-CD1 4.22Å; F133-I155 HydrophobicContact CD1-CG2 4.15Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.21Å; F133-I155 HydrophobicContact CE2-CG2 3.38Å; F133-I155 HydrophobicContact CG-CG2 3.73Å; F133-I155 HydrophobicContact CZ-CG2 3.83Å; L151-I155 WeakPolarHBondContact O-CB 3.49Å; L151-I155 WeakPolarHBondContact O-CD1 3.43Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 3.21Å; I152-I155 PolarHBondContact O-N 2.86Å; S153-I155 PolarHBondContact O-N 3.14Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E158 PolarHBondContact O-N 2.66Å; I155-Y159 HydrophobicContact CG2-CD2 4.02Å; I155-Y159 WeakPolarHBondContact O-CA 3.32Å; I155-Y159 WeakPolarHBondContact O-CB 3.46Å; I155-Y159 PolarHBondContact O-N 2.94Å; I155-M164 HydrophobicContact CB-CE 3.64Å; I155-M164 HydrophobicContact CD1-CE 4.31Å; I155-M164 HydrophobicContact CG2-CE 3.34Å
156R97.6Very high97.7Very high41 Ų4131.8 Ų31.816%0.15515%0.154CC..Hα-helixtrans-62.3-40.317417959.965.8173.111.7111.7I152 S153 K154 Y159 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.09Å; I152-R156 PolarHBondContact O-N 3.21Å; S153-R156 WeakPolarHBondContact O-CB 2.98Å; S153-R156 PolarHBondContact O-N 3.11Å; K154-R156 VanDerWaalsContact C-N 3.33Å; R156-Y159 CarbonylContact O-C 3.34Å; R156-P160 PolarHBondContact NH1-O 2.91Å; R156-P160 VanDerWaalsContact O-CA 3.27Å; R156-P160 WeakPolarHBondContact O-CA 3.23Å; R156-P160 VanDerWaalsContact O-N 3.15Å; R156-R162 PolarHBondContact NH1-O 3.16Å; R156-R162 VanDerWaalsContact NH1-O 3.12Å; R156-M164 VanDerWaalsContact NH2-CB 3.27Å; R156-N195 HydrophobicContact CB-CB 4.39Å; R156-N195 PolarHBondContact NE-O 2.79Å; R156-N195 PolarHBondContact NH2-O 3.37Å; R156-D197 IonicContact CZ-OD1 2.71Å; R156-D197 IonicContact CZ-OD2 2.83Å; R156-D197 IonicContact NH1-OD1 3.29Å; R156-D197 IonicContact NH1-OD2 3.21Å; R156-D197 PolarHBondContact NH1-OD2 2.6Å; R156-D197 IonicContact NH2-OD1 3.44Å; R156-D197 PolarHBondContact NH2-OD1 2.93Å; R156-D197 IonicContact NH2-OD2 3.85Å; R156-D197 PolarHBondContact NH2-OD2 2.85Å
157E97.5Very high97.7Very high112 Ų11231.8 Ų31.852%0.52315%0.154SC..Hα-helixtrans-62-44.9174.3-71.6168.4-144.200112.2S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 3.19Å; K154-E157 VanDerWaalsContact NZ-CD 3.26Å; K154-E157 IonicContact NZ-OE1 2.84Å; K154-E157 PolarHBondContact NZ-OE1 2.79Å; K154-E157 IonicContact NZ-OE2 2.84Å; K154-E157 PolarHBondContact NZ-OE2 3.22Å; K154-E157 WeakPolarHBondContact O-CB 3.44Å; K154-E157 PolarHBondContact O-N 2.97Å; I155-E157 VanDerWaalsContact C-N 3.33Å
158E97.8Very high97.7Very high78 Ų7831.8 Ų31.836%0.36415%0.154SC..Hα-helixtrans-77.6-30-179.5-72.2-166.2-150.600113.6R121 K154 I155 P160R121-E158 IonicContact CZ-OE2 2.87Å; R121-E158 IonicContact NE-OE2 2.76Å; R121-E158 PolarHBondContact NE-OE2 3.45Å; R121-E158 VanDerWaalsContact NH2-CD 3.33Å; R121-E158 IonicContact NH2-OE1 2.78Å; R121-E158 PolarHBondContact NH2-OE1 3.49Å; R121-E158 IonicContact NH2-OE2 3.91Å; R121-E158 PolarHBondContact NH2-OE2 2.88Å; K154-E158 PolarHBondContact O-N 3.09Å; I155-E158 PolarHBondContact O-N 2.66Å; E158-P160 VanDerWaalsContact C-CD 3.48Å
159Y97.8Very high97.7Very high44 Ų4431.9 Ų31.917%0.17315%0.154CC..  trans-131.458.3-173.9-57.1-85.9000112.6V120 R121 A124 L130 F133 I155 R156 D161 R162V120-Y159 HydrophobicContact CG1-CE2 4.37Å; R121-Y159 WeakPolarHBondContact CA-OH 3.38Å; A124-Y159 HydrophobicContact CB-CE1 4.09Å; L130-Y159 HydrophobicContact CD2-CD1 4.27Å; L130-Y159 HydrophobicContact CD2-CE1 4.39Å; F133-Y159 HydrophobicContact CE2-CD1 4.33Å; F133-Y159 AromaticContact CE2-CD2 3.76Å; F133-Y159 HydrophobicContact CE2-CD2 3.76Å; F133-Y159 HydrophobicContact CE2-CE2 4.47Å; F133-Y159 AromaticContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CZ-CD1 4.19Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.41Å; F133-Y159 AromaticContact CZ-CE2 3.84Å; F133-Y159 HydrophobicContact CZ-CE2 3.84Å; F133-Y159 AromaticContact CZ-CG 3.77Å; F133-Y159 HydrophobicContact CZ-CG 3.77Å; I155-Y159 HydrophobicContact CG2-CD2 4.02Å; I155-Y159 WeakPolarHBondContact O-CA 3.32Å; I155-Y159 WeakPolarHBondContact O-CB 3.46Å; I155-Y159 PolarHBondContact O-N 2.94Å; R156-Y159 CarbonylContact O-C 3.34Å; Y159-D161 PolarHBondContact O-N 3.23Å; Y159-R162 HydrophobicContact CD1-CG 4.49Å; Y159-R162 PolarHBondContact O-N 2.91Å
160P96.7Very high97.6Very high77 Ų7732 Ų3250%0.516%0.155SC..THydrogen-bonded Turntrans-60.4-33.5-173.923.7-34.5000113R156 E158 R162R156-P160 PolarHBondContact NH1-O 2.91Å; R156-P160 VanDerWaalsContact O-CA 3.27Å; R156-P160 WeakPolarHBondContact O-CA 3.23Å; R156-P160 VanDerWaalsContact O-N 3.15Å; E158-P160 VanDerWaalsContact C-CD 3.48Å; P160-R162 VanDerWaalsContact C-N 3.26Å; P160-R162 PolarHBondContact O-N 2.95Å
161D95.5Very high97.2Very high118 Ų11831.7 Ų31.763%0.63115%0.154SC*.THydrogen-bonded Turntrans-83.914-179.5-60.2-40000113.9Y159 R251Y159-D161 PolarHBondContact O-N 3.23Å; D161-R251 PolarHBondContact O-NH2 2.84Å
162R96.7Very high96.4Very high90 Ų9031.7 Ų31.734%0.3415%0.154SC..SBendtrans-116.9146.8-179.5-64.2-61.2177.9-76-6.4110.7L130 F133 R156 Y159 P160 M164L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.43Å; L130-R162 PolarHBondContact O-NE 3.29Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; R156-R162 PolarHBondContact NH1-O 3.16Å; R156-R162 VanDerWaalsContact NH1-O 3.12Å; Y159-R162 HydrophobicContact CD1-CG 4.49Å; Y159-R162 PolarHBondContact O-N 2.91Å; P160-R162 VanDerWaalsContact C-N 3.26Å; P160-R162 PolarHBondContact O-N 2.95Å; R162-M164 PolarHBondContact O-N 3.35Å
163I96.8Very high95.2Very high3 Ų335.3 Ų35.32%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-71.7128-179.6-62.9-64000109.5Q131 G132 F133 N165 D197 L250 R251 A254Q131-I163 PolarHBondContact O-N 2.83Å; Q131-I163 VanDerWaalsContact O-N 3.15Å; G132-I163 CarbonylContact C-O 3.47Å; G132-I163 WeakPolarHBondContact CA-O 3.22Å; F133-I163 PolarHBondContact N-O 3.33Å; I163-N165 HydrophobicContact CG2-CB 4.45Å; I163-D197 VanDerWaalsContact CA-OD2 3.27Å; I163-D197 WeakPolarHBondContact CA-OD2 3.48Å; I163-D197 HydrophobicContact CD1-CB 4.15Å; I163-D197 HydrophobicContact CG2-CB 4.22Å; I163-L250 HydrophobicContact CB-CB 4.12Å; I163-L250 HydrophobicContact CG1-CB 4.2Å; I163-L250 HydrophobicContact CG2-CB 3.91Å; I163-L250 HydrophobicContact CG2-CD1 4.32Å; I163-R251 HydrophobicContact CD1-CB 4.12Å; I163-R251 HydrophobicContact CD1-CG 4.4Å; I163-R251 HydrophobicContact CG1-CB 3.98Å; I163-A254 HydrophobicContact CD1-CB 4.4Å
164M98.2Very high94.1Very high2 Ų241.8 Ų41.81%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-102.2105.2167.4-178.261.568.300109F133 I152 I155 R156 R162 T166 T196 D197 E198F133-M164 HydrophobicContact CB-CE 3.92Å; F133-M164 HydrophobicContact CB-SD 3.92Å; F133-M164 HydrophobicContact CD2-CE 4.23Å; F133-M164 HydrophobicContact CG-CE 4.31Å; I152-M164 HydrophobicContact CG1-SD 4.26Å; I152-M164 HydrophobicContact CG2-CG 4.07Å; I155-M164 HydrophobicContact CB-CE 3.64Å; I155-M164 HydrophobicContact CD1-CE 4.31Å; I155-M164 HydrophobicContact CG2-CE 3.34Å; R156-M164 VanDerWaalsContact NH2-CB 3.27Å; R162-M164 PolarHBondContact O-N 3.35Å; M164-T166 HydrophobicContact CG-CG2 4.44Å; M164-T196 HydrophobicContact CG-CG2 3.89Å; M164-D197 PolarHBondContact N-OD2 3.09Å; M164-D197 PolarHBondContact O-N 3.47Å; M164-E198 PolarHBondContact O-N 3.2Å
165N97.2Very high92.9Very high0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-102.6136176.4174.413.6000109.7F133 Q134 L135 I163 E198 Y200F133-N165 PolarHBondContact O-N 3.48Å; Q134-N165 CarbonylContact C-O 3.46Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.36Å; L135-N165 PolarHBondContact N-O 3.09Å; I163-N165 HydrophobicContact CG2-CB 4.45Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 WeakPolarHBondContact CA-O 3.41Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 3.31Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.31Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.47Å
166T98.4Very high92Very high0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-127.2141.4176.876.40000113.7L135 I152 M164 S168 L192 T196 E198 T199 Y200L135-T166 HydrophobicContact CB-CG2 4.38Å; L135-T166 CarbonylContact O-C 3.14Å; L135-T166 VanDerWaalsContact O-CA 3.23Å; L135-T166 WeakPolarHBondContact O-CA 3.21Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; M164-T166 HydrophobicContact CG-CG2 4.44Å; T166-S168 PolarHBondContact OG1-OG 3.42Å; T166-L192 HydrophobicContact CG2-CD2 4.03Å; T166-T196 HydrophobicContact CG2-CG2 3.57Å; T166-E198 PolarHBondContact N-O 2.86Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.39Å; T166-T199 PolarHBondContact OG1-OG1 2.92Å; T166-T199 VanDerWaalsContact OG1-OG1 3.05Å; T166-Y200 WeakPolarHBondContact O-CD2 3.33Å; T166-Y200 PolarHBondContact O-N 3.12Å
167F98.4Very high91.1Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-105.397.7164.6-70.9-92.7000107.1Q134 L135 T136 H137 Y200 I202 M233 V236Q134-F167 HydrophobicContact CG-CD2 3.88Å; Q134-F167 HydrophobicContact CG-CE2 3.81Å; L135-F167 PolarHBondContact O-N 2.94Å; T136-F167 HydrophobicContact CG2-CB 4.23Å; H137-F167 PolarHBondContact N-O 3.3Å; H137-F167 VanDerWaalsContact N-O 3.14Å; F167-Y200 HydrophobicContact CD1-CD2 4.42Å; F167-Y200 HydrophobicContact CD1-CG 4.12Å; F167-Y200 HydrophobicContact CE1-CD1 4.19Å; F167-Y200 AromaticContact CE1-CD2 4Å; F167-Y200 HydrophobicContact CE1-CD2 4Å; F167-Y200 AromaticContact CE1-CG 3.75Å; F167-Y200 HydrophobicContact CE1-CG 3.75Å; F167-Y200 HydrophobicContact CE2-CD2 4.09Å; F167-Y200 HydrophobicContact CE2-CE2 4.48Å; F167-Y200 AromaticContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CE2 4.17Å; F167-Y200 HydrophobicContact CZ-CG 4.05Å; F167-I202 HydrophobicContact CB-CD1 4.01Å; F167-I202 HydrophobicContact CD1-CD1 3.91Å; F167-I202 HydrophobicContact CG-CD1 4.47Å; F167-M233 HydrophobicContact CD1-CG 3.38Å; F167-M233 HydrophobicContact CD1-SD 4.39Å; F167-M233 HydrophobicContact CD2-CE 4.24Å; F167-M233 HydrophobicContact CD2-CG 4.2Å; F167-M233 HydrophobicContact CE1-CB 4.17Å; F167-M233 HydrophobicContact CE1-CG 3.48Å; F167-M233 VanDerWaalsContact CE1-CG 3.48Å; F167-M233 HydrophobicContact CE2-CG 4.33Å; F167-M233 HydrophobicContact CG-CE 4.3Å; F167-M233 HydrophobicContact CG-CG 3.75Å; F167-M233 HydrophobicContact CG-SD 4.29Å; F167-M233 HydrophobicContact CZ-CB 4.36Å; F167-M233 HydrophobicContact CZ-CG 3.97Å; F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.21Å; F167-V236 HydrophobicContact CZ-CG1 4.14Å; F167-V236 HydrophobicContact CZ-CG2 4.33Å
168S98.3Very high90.6Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-104.7107.3-165.4-730000110.5H137 T166 V170 Y200 I202H137-S168 PolarHBondContact CD2-OG 2.9Å; H137-S168 PolarHBondContact NE2-OG 3.19Å; T166-S168 PolarHBondContact OG1-OG 3.42Å; S168-V170 PolarHBondContact O-N 3.3Å; S168-Y200 PolarHBondContact N-O 2.66Å; S168-I202 PolarHBondContact O-N 2.73Å
169V97.1Very high90.2Very high1 Ų143.8 Ų43.81%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-80110.6178.7-177.40000110.4I16 H137 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.52Å; H137-V169 PolarHBondContact O-N 2.79Å; L139-V169 PolarHBondContact N-O 2.76Å; V169-I202 CarbonylContact C-O 3.47Å; V169-I202 WeakPolarHBondContact CA-O 3.22Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.23Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.24Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å
170V95.1Very high90Very high2 Ų241.9 Ų41.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-81132.3178.1-176.50000109.1L139 S168 C201 I202 N204 L377 V381L139-V170 HydrophobicContact CD1-CG2 3.99Å; S168-V170 PolarHBondContact O-N 3.3Å; V170-C201 HydrophobicContact CG2-CB 4.45Å; V170-I202 PolarHBondContact N-O 3.28Å; V170-N204 PolarHBondContact O-N 3.41Å; V170-L377 HydrophobicContact CB-CD1 4.28Å; V170-L377 HydrophobicContact CG1-CD1 4.09Å; V170-L377 HydrophobicContact CG1-CD2 3.87Å; V170-L377 HydrophobicContact CG1-CG 4.05Å; V170-L377 HydrophobicContact CG2-CD1 3.97Å; V170-L377 HydrophobicContact CG2-CD2 4.05Å; V170-V381 HydrophobicContact CG1-CG2 4.46Å
171P90.8Very high89.9Confident10 Ų1039 Ų397%0.06521%0.206CC..  trans-68.1160.6179.526.4-33.5000112.9E181 A185P171-E181 HydrophobicContact CB-CB 3.81Å; P171-E181 VanDerWaalsContact CB-CD 3.42Å; P171-E181 HydrophobicContact CB-CG 3.98Å; P171-E181 VanDerWaalsContact CB-OE2 3.25Å; P171-E181 WeakPolarHBondContact CB-OE2 3.38Å; P171-E181 HydrophobicContact CG-CB 3.99Å; P171-A185 HydrophobicContact CG-CB 3.87Å
172S82.2Confident89.9Confident0 Ų034 Ų340%018%0.179CC..  trans-141.2128.6169.61760000110.4K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3Å; S172-K174 PolarHBondContact OG-N 3.36Å; S172-V175 PolarHBondContact O-N 3.28Å; S172-S176 PolarHBondContact O-N 2.62Å; S172-E205 WeakPolarHBondContact OG-CB 3.31Å; S172-E205 PolarHBondContact OG-OE2 2.78Å; S172-E205 VanDerWaalsContact OG-OE2 3.12Å
173P72.2Confident89.9Confident75 Ų7529.7 Ų29.749%0.48716%0.163SC..THydrogen-bonded Turntrans-66.5-10.2178.229.8-37.6000113.2
174K74.2Confident90Very high157 Ų15729.5 Ų29.568%0.68316%0.162SC*.THydrogen-bonded Turntrans-81.5-17.4174.2-65.6-177.9-176.3165.60112.9S172 E205S172-K174 PolarHBondContact O-N 3Å; S172-K174 PolarHBondContact OG-N 3.36Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.43Å; K174-E205 IonicContact NZ-OE1 2.7Å; K174-E205 PolarHBondContact NZ-OE1 3.08Å
175V73.9Confident89.9Confident39 Ų3929.5 Ų29.524%0.23616%0.162CC..THydrogen-bonded Turntrans-119.5-26.2-171.3-171.70000112S172 N204 Y208S172-V175 PolarHBondContact O-N 3.28Å; V175-N204 HydrophobicContact CB-CB 4.41Å; V175-N204 HydrophobicContact CG1-CB 4.43Å; V175-N204 HydrophobicContact CG2-CB 4.47Å; V175-Y208 HydrophobicContact CG2-CG 4.43Å
176S79.3Confident89.9Confident23 Ų2329.5 Ų29.516%0.16116%0.162CC..  trans-115.2144.1-178.1-172.60000112.8S172 T178 E181S172-S176 PolarHBondContact O-N 2.62Å; S176-T178 PolarHBondContact OG-N 3.01Å; S176-E181 VanDerWaalsContact CB-CD 3.5Å; S176-E181 WeakPolarHBondContact CB-OE1 3.34Å; S176-E181 VanDerWaalsContact CB-OE2 3.29Å; S176-E181 WeakPolarHBondContact CB-OE2 3.24Å; S176-E181 PolarHBondContact OG-OE1 3.3Å; S176-E181 PolarHBondContact OG-OE2 3.22Å
177D79.1Confident89.9Confident165 Ų16529.7 Ų29.788%0.88216%0.163SC*.  trans-91.7-1.1175.4-65.9-41.6000112.8V179D177-V179 PolarHBondContact O-N 3.27Å
178T86.4Confident89.9Confident33 Ų3329.7 Ų29.720%0.20216%0.163CC..  trans-77.1114.8-176-60.70000110.8N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.64Å; N99-T178 PolarHBondContact ND2-OG1 3.03Å; S176-T178 PolarHBondContact OG-N 3.01Å; T178-V180 VanDerWaalsContact C-N 3.35Å; T178-V180 HydrophobicContact CG2-CG2 4.07Å; T178-V180 PolarHBondContact O-N 2.88Å; T178-E181 HydrophobicContact CG2-CG 3.72Å; T178-E181 WeakPolarHBondContact O-CG 3.48Å
179V89.3Confident89.9Confident80 Ų8029.9 Ų29.949%0.48516%0.164SC..THydrogen-bonded Turntrans-73.7-21.4-173.2-60.10000114.8D177 M388 F394D177-V179 PolarHBondContact O-N 3.27Å; V179-M388 WeakPolarHBondContact O-CE 3.42Å; V179-M388 VanDerWaalsContact O-SD 3.38Å; V179-F394 HydrophobicContact CB-CE2 4.19Å; V179-F394 HydrophobicContact CB-CZ 4.45Å; V179-F394 HydrophobicContact CG2-CD2 4.18Å; V179-F394 HydrophobicContact CG2-CE1 4.17Å; V179-F394 HydrophobicContact CG2-CE2 3.71Å; V179-F394 HydrophobicContact CG2-CZ 3.7Å
180V94.6Very high89.9Confident4 Ų431.3 Ų31.32%0.02417%0.171CC..THydrogen-bonded Turntrans-996.7-175.2-58.20000114.2N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.39Å; T178-V180 VanDerWaalsContact C-N 3.35Å; T178-V180 HydrophobicContact CG2-CG2 4.07Å; T178-V180 PolarHBondContact O-N 2.88Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 3.14Å; V180-Y183 VanDerWaalsContact O-N 3.12Å; V180-N184 PolarHBondContact O-N 2.98Å; V180-F394 HydrophobicContact CG1-CB 3.79Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; V180-W397 HydrophobicContact CG1-CE3 4.2Å; V180-W397 HydrophobicContact CG1-CZ3 4.34Å; V180-Y398 HydrophobicContact CB-CE2 4.26Å; V180-Y398 VanDerWaalsContact CB-OH 3.29Å; V180-Y398 WeakPolarHBondContact CB-OH 3.39Å; V180-Y398 HydrophobicContact CG1-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.47Å; V180-Y398 PolarHBondContact O-OH 3.03Å
181E94.7Very high90.1Very high18 Ų1832.5 Ų32.58%0.08418%0.177CC..Hα-helixtrans-52.8-38.3178.4-72.2-176.815400114.7P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.81Å; P171-E181 VanDerWaalsContact CB-CD 3.42Å; P171-E181 HydrophobicContact CB-CG 3.98Å; P171-E181 VanDerWaalsContact CB-OE2 3.25Å; P171-E181 WeakPolarHBondContact CB-OE2 3.38Å; P171-E181 HydrophobicContact CG-CB 3.99Å; S176-E181 VanDerWaalsContact CB-CD 3.5Å; S176-E181 WeakPolarHBondContact CB-OE1 3.34Å; S176-E181 VanDerWaalsContact CB-OE2 3.29Å; S176-E181 WeakPolarHBondContact CB-OE2 3.24Å; S176-E181 PolarHBondContact OG-OE1 3.3Å; S176-E181 PolarHBondContact OG-OE2 3.22Å; T178-E181 HydrophobicContact CG2-CG 3.72Å; T178-E181 WeakPolarHBondContact O-CG 3.48Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 3.24Å; E181-N184 PolarHBondContact O-N 3.21Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.29Å
182P95.3Very high90.4Very high11 Ų1132.1 Ų32.17%0.07117%0.174CC..Hα-helixtrans-61.6-38.1178.6-26.237000113V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.06Å; P182-T186 PolarHBondContact O-N 3.03Å; P182-T186 PolarHBondContact O-OG1 3.43Å; P182-T186 VanDerWaalsContact O-OG1 3.08Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; P182-F385 HydrophobicContact CB-CB 4.33Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.75Å
183Y97.3Very high91.2Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-65.7-48.6174.3-70-20.2000111.5V180 E181 A185 T186 L187 F385 M388 F389 A393 Y398 F408V180-Y183 PolarHBondContact O-N 3.14Å; V180-Y183 VanDerWaalsContact O-N 3.12Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 3.24Å; Y183-A185 VanDerWaalsContact C-N 3.31Å; Y183-A185 PolarHBondContact O-N 2.8Å; Y183-T186 PolarHBondContact O-N 2.96Å; Y183-L187 VanDerWaalsContact O-CG 3.25Å; Y183-L187 WeakPolarHBondContact O-CG 3.46Å; Y183-L187 PolarHBondContact O-N 3.17Å; Y183-F385 AromaticContact CD1-CD2 3.46Å; Y183-F385 HydrophobicContact CD1-CD2 3.46Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F385 AromaticContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CG 4.28Å; Y183-F385 HydrophobicContact CD1-CZ 4.37Å; Y183-F385 HydrophobicContact CE1-CD2 4.05Å; Y183-F385 HydrophobicContact CE1-CE2 4.03Å; Y183-F385 HydrophobicContact CE1-CZ 4.48Å; Y183-M388 HydrophobicContact CD2-CE 4.28Å; Y183-M388 HydrophobicContact CE1-CB 3.86Å; Y183-M388 HydrophobicContact CE2-CE 4.03Å; Y183-M388 VanDerWaalsContact OH-C 3.22Å; Y183-M388 PolarHBondContact OH-O 3.47Å; Y183-F389 HydrophobicContact CE1-CB 4.05Å; Y183-F389 HydrophobicContact CE1-CD2 4.3Å; Y183-F389 VanDerWaalsContact OH-CA 3.29Å; Y183-F389 WeakPolarHBondContact OH-CA 3.44Å; Y183-F389 PolarHBondContact OH-N 3.42Å; Y183-A393 WeakPolarHBondContact CE2-O 3.42Å; Y183-A393 PolarHBondContact OH-O 3.13Å; Y183-Y398 HydrophobicContact CD2-CD2 4.22Å; Y183-Y398 AromaticContact CD2-CE2 3.66Å; Y183-Y398 HydrophobicContact CD2-CE2 3.66Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.5Å; Y183-F408 HydrophobicContact CD1-CD1 4.25Å; Y183-F408 HydrophobicContact CD1-CE1 4.05Å; Y183-F408 HydrophobicContact CD2-CE1 4.03Å; Y183-F408 HydrophobicContact CE1-CE1 4.48Å; Y183-F408 HydrophobicContact CE2-CE1 4.45Å; Y183-F408 HydrophobicContact CG-CD1 4.45Å; Y183-F408 AromaticContact CG-CE1 3.81Å; Y183-F408 HydrophobicContact CG-CE1 3.81Å
184N97.4Very high92.3Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-58.8-44.9179-63.9-15.4000111.4N99 W101 L139 G140 G141 V180 E181 L187 S188 Y398N99-N184 PolarHBondContact O-ND2 2.79Å; W101-N184 HydrophobicContact CB-CB 4.15Å; W101-N184 WeakPolarHBondContact CB-OD1 3.23Å; W101-N184 PolarHBondContact N-OD1 2.92Å; L139-N184 CarbonylContact O-C 3.45Å; L139-N184 VanDerWaalsContact O-CB 3.23Å; L139-N184 WeakPolarHBondContact O-CB 3.28Å; G140-N184 PolarHBondContact O-ND2 3.48Å; G141-N184 PolarHBondContact O-ND2 2.88Å; V180-N184 PolarHBondContact O-N 2.98Å; E181-N184 PolarHBondContact O-N 3.21Å; N184-L187 PolarHBondContact O-N 2.73Å; N184-S188 WeakPolarHBondContact O-CB 3.48Å; N184-S188 PolarHBondContact O-N 3.1Å; N184-S188 PolarHBondContact O-OG 2.81Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.35Å; N184-Y398 PolarHBondContact OD1-OH 3.42Å
185A96.9Very high93.4Very high1 Ų127.7 Ų27.71%0.00815%0.15CC..Hα-helixtrans-65.7-42.8-179.200000111.7L139 P171 E181 Y183 S188 V189 V381L139-A185 HydrophobicContact CB-CB 4.31Å; L139-A185 WeakPolarHBondContact O-CA 3.38Å; L139-A185 PolarHBondContact O-N 3.46Å; L139-A185 VanDerWaalsContact O-N 3.1Å; P171-A185 HydrophobicContact CG-CB 3.87Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.29Å; Y183-A185 VanDerWaalsContact C-N 3.31Å; Y183-A185 PolarHBondContact O-N 2.8Å; A185-S188 PolarHBondContact O-N 2.69Å; A185-V189 WeakPolarHBondContact O-CB 3.1Å; A185-V189 VanDerWaalsContact O-CG2 3.25Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.82Å; A185-V381 HydrophobicContact CB-CG1 3.75Å; A185-V381 HydrophobicContact CB-CG2 4.47Å
186T97.6Very high94.6Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-61.8-48.2176.9-67.80000112.6P182 Y183 S188 V189 H190 F385 A411 M415P182-T186 WeakPolarHBondContact O-CB 3.06Å; P182-T186 PolarHBondContact O-N 3.03Å; P182-T186 PolarHBondContact O-OG1 3.43Å; P182-T186 VanDerWaalsContact O-OG1 3.08Å; Y183-T186 PolarHBondContact O-N 2.96Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.15Å; T186-V189 PolarHBondContact O-N 2.77Å; T186-H190 PolarHBondContact O-N 3.1Å; T186-F385 VanDerWaalsContact CB-CD2 3.44Å; T186-F385 HydrophobicContact CG2-CD2 3.65Å; T186-F385 HydrophobicContact CG2-CE2 3.6Å; T186-F385 HydrophobicContact CG2-CG 4.26Å; T186-F385 HydrophobicContact CG2-CZ 4.2Å; T186-F385 VanDerWaalsContact OG1-CD2 3.23Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.29Å; T186-A411 HydrophobicContact CG2-CB 3.83Å; T186-M415 VanDerWaalsContact CA-CE 3.42Å; T186-M415 HydrophobicContact CG2-CE 3.76Å; T186-M415 VanDerWaalsContact OG1-CE 3.31Å; T186-M415 WeakPolarHBondContact OG1-CE 3.39Å
187L98.2Very high95.4Very high4 Ų427.3 Ų27.32%0.02115%0.145CC..Hα-helixtrans-65-38.7179.2-64.1167.4000111.7W101 Y183 N184 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.33Å; W101-L187 HydrophobicContact CD2-CB 3.76Å; W101-L187 HydrophobicContact CD2-CD1 3.87Å; W101-L187 HydrophobicContact CD2-CG 4.43Å; W101-L187 HydrophobicContact CE3-CB 4.18Å; W101-L187 HydrophobicContact CE3-CD1 3.65Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.05Å; W101-L187 HydrophobicContact CG-CD1 4.15Å; W101-L187 HydrophobicContact CZ2-CB 4.15Å; W101-L187 HydrophobicContact CZ3-CD1 4.27Å; Y183-L187 VanDerWaalsContact O-CG 3.25Å; Y183-L187 WeakPolarHBondContact O-CG 3.46Å; Y183-L187 PolarHBondContact O-N 3.17Å; N184-L187 PolarHBondContact O-N 2.73Å; L187-Q191 WeakPolarHBondContact O-CG 3.26Å; L187-Q191 PolarHBondContact O-N 2.97Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.07Å; L187-M403 HydrophobicContact CD1-CE 3.6Å; L187-M403 HydrophobicContact CD1-SD 4.02Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.11Å; L187-F408 HydrophobicContact CD1-CE1 4.08Å; L187-F408 HydrophobicContact CD1-CZ 4.32Å; L187-A411 HydrophobicContact CD2-CB 3.78Å
188S98.2Very high96.3Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-68.9-42.3175.4-74.50000113.2W101 S145 N184 A185 T186 H190 Q191 L192W101-S188 PolarHBondContact NE1-OG 3.17Å; S145-S188 VanDerWaalsContact CA-OG 3.3Å; S145-S188 WeakPolarHBondContact CA-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.36Å; S145-S188 PolarHBondContact O-OG 3.05Å; N184-S188 WeakPolarHBondContact O-CB 3.48Å; N184-S188 PolarHBondContact O-N 3.1Å; N184-S188 PolarHBondContact O-OG 2.81Å; A185-S188 PolarHBondContact O-N 2.69Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.15Å; S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.05Å; S188-Q191 PolarHBondContact O-N 3.17Å; S188-L192 VanDerWaalsContact O-CG 3.24Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.17Å
189V97.8Very high96.9Very high4 Ų417.9 Ų17.92%0.0249%0.094CC..Hα-helixtrans-59.6-43.8176.7168.30000110.2L139 A185 T186 Q191 L192 V193 F265 F378 M415 L418L139-V189 HydrophobicContact CD1-CG2 4.18Å; A185-V189 WeakPolarHBondContact O-CB 3.1Å; A185-V189 VanDerWaalsContact O-CG2 3.25Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.82Å; T186-V189 PolarHBondContact O-N 2.77Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 2.63Å; V189-L192 PolarHBondContact O-N 2.88Å; V189-V193 HydrophobicContact CG1-CG2 4.22Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 2.99Å; V189-F265 HydrophobicContact CG1-CZ 4.46Å; V189-F378 HydrophobicContact CG1-CD1 4.19Å; V189-F378 HydrophobicContact CG1-CE1 4.02Å; V189-F378 HydrophobicContact CG2-CD1 4.37Å; V189-F378 HydrophobicContact CG2-CE1 4.14Å; V189-M415 HydrophobicContact CB-CE 4.12Å; V189-M415 HydrophobicContact CG1-CE 4.26Å; V189-L418 HydrophobicContact CG1-CD2 4.45Å
190H97.8Very high97.3Very high32 Ų3214.1 Ų14.115%0.1487%0.071CC..Hα-helixtrans-52.7-47.1175.2169.179.2000111.8T186 S188 E194 A411 N414T186-H190 PolarHBondContact O-N 3.1Å; S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.05Å; H190-E194 IonicContact CE1-OE1 3.27Å; H190-E194 PolarHBondContact CE1-OE1 3.05Å; H190-A411 HydrophobicContact CB-CB 3.66Å; H190-N414 PolarHBondContact ND1-ND2 2.96Å; H190-N414 VanDerWaalsContact ND1-ND2 3.19Å
191Q97.9Very high97.4Very high27 Ų2714 Ų1413%0.1267%0.071CC..Hα-helixtrans-68.9-34.6176.2-67-68.1-5500113.8W101 T149 L187 S188 V189 N195W101-Q191 HydrophobicContact CZ2-CG 4.2Å; T149-Q191 HydrophobicContact CG2-CB 3.95Å; L187-Q191 WeakPolarHBondContact O-CG 3.26Å; L187-Q191 PolarHBondContact O-N 2.97Å; S188-Q191 PolarHBondContact O-N 3.17Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 2.63Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 2.94Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 3.13Å
192L98.3Very high97.5Very high1 Ų113.2 Ų13.21%0.0057%0.067CC..Hα-helixtrans-69-39.3179.4-70.6170.5000112.2L139 T149 I152 T166 S188 V189 E194 N195 T196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.13Å; L139-L192 HydrophobicContact CD2-CD1 3.65Å; T149-L192 HydrophobicContact CG2-CG 4.49Å; I152-L192 HydrophobicContact CD1-CD2 3.63Å; T166-L192 HydrophobicContact CG2-CD2 4.03Å; S188-L192 VanDerWaalsContact O-CG 3.24Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 2.88Å; L192-E194 PolarHBondContact O-N 3.41Å; L192-N195 PolarHBondContact O-N 3Å; L192-T196 HydrophobicContact CB-CG2 4.43Å; L192-T196 HydrophobicContact CD2-CG2 3.51Å; L192-T196 PolarHBondContact O-N 3.12Å; L192-T196 VanDerWaalsContact O-N 3.17Å; L192-T196 PolarHBondContact O-OG1 3.25Å; L192-T199 HydrophobicContact CD1-CG2 4.31Å; L192-H264 PolarHBondContact O-CE1 2.8Å; L192-H264 VanDerWaalsContact O-CE1 3.25Å; L192-H264 PolarHBondContact O-NE2 2.97Å; L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.26Å
193V97.8Very high97.5Very high9 Ų912.7 Ų12.76%0.0556%0.063CC..Hα-helixtrans-53.7-45.2177170.80000110.3V189 R262 H264 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.22Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 2.99Å; V193-R262 HydrophobicContact CG1-CG 4.25Å; V193-H264 PolarHBondContact O-NE2 2.99Å; V193-H264 VanDerWaalsContact O-NE2 3.13Å; V193-F265 HydrophobicContact CG2-CE2 3.82Å; V193-F265 HydrophobicContact CG2-CZ 3.71Å; V193-L418 HydrophobicContact CG2-CD1 4.5Å; V193-L418 HydrophobicContact CG2-CD2 3.78Å
194E95.8Very high97.3Very high111 Ų11113.4 Ų13.452%0.5197%0.067SC..Hα-helixtrans-84.1-32.1-173-64.3178.8-178.300113.8H190 L192H190-E194 IonicContact CE1-OE1 3.27Å; H190-E194 PolarHBondContact CE1-OE1 3.05Å; L192-E194 PolarHBondContact O-N 3.41Å
195N97.9Very high97.1Very high19 Ų1914.7 Ų14.710%0.1027%0.073CC..Hα-helixtrans-114.1-3.1-164.5-63-76.8000115.1I152 R156 Q191 L192I152-N195 HydrophobicContact CG2-CB 3.47Å; I152-N195 VanDerWaalsContact CG2-CB 3.47Å; R156-N195 HydrophobicContact CB-CB 4.39Å; R156-N195 PolarHBondContact NE-O 2.79Å; R156-N195 PolarHBondContact NH2-O 3.37Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 2.94Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 3.13Å; L192-N195 PolarHBondContact O-N 3Å
196T98.1Very high97Very high8 Ų815.1 Ų15.15%0.0498%0.077CC..  trans-115.9153.5-179.4680000112.7I152 M164 T166 L192 T199 H264I152-T196 HydrophobicContact CD1-CG2 4.23Å; I152-T196 HydrophobicContact CG2-CG2 3.81Å; M164-T196 HydrophobicContact CG-CG2 3.89Å; T166-T196 HydrophobicContact CG2-CG2 3.57Å; L192-T196 HydrophobicContact CB-CG2 4.43Å; L192-T196 HydrophobicContact CD2-CG2 3.51Å; L192-T196 PolarHBondContact O-N 3.12Å; L192-T196 VanDerWaalsContact O-N 3.17Å; L192-T196 PolarHBondContact O-OG1 3.25Å; T196-T199 PolarHBondContact OG1-OG1 2.91Å; T196-H264 PolarHBondContact O-CD2 3.19Å; T196-H264 PolarHBondContact O-NE2 3.24Å; T196-H264 VanDerWaalsContact O-NE2 3.16Å; T196-H264 PolarHBondContact OG1-CE1 2.92Å
197D97.7Very high96.9Very high46 Ų4615.2 Ų15.225%0.2468%0.077CC..SBendtrans-106-23.4176-47.9-78.6000112.5R156 I163 M164 H264R156-D197 IonicContact CZ-OD1 2.71Å; R156-D197 IonicContact CZ-OD2 2.83Å; R156-D197 IonicContact NH1-OD1 3.29Å; R156-D197 IonicContact NH1-OD2 3.21Å; R156-D197 PolarHBondContact NH1-OD2 2.6Å; R156-D197 IonicContact NH2-OD1 3.44Å; R156-D197 PolarHBondContact NH2-OD1 2.93Å; R156-D197 IonicContact NH2-OD2 3.85Å; R156-D197 PolarHBondContact NH2-OD2 2.85Å; I163-D197 VanDerWaalsContact CA-OD2 3.27Å; I163-D197 WeakPolarHBondContact CA-OD2 3.48Å; I163-D197 HydrophobicContact CD1-CB 4.15Å; I163-D197 HydrophobicContact CG2-CB 4.22Å; M164-D197 PolarHBondContact N-OD2 3.09Å; M164-D197 PolarHBondContact O-N 3.47Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.38Å
198E97.3Very high96.7Very high0 Ų019 Ų190%09%0.092CC..EExtended strand (participates in β ladder)trans-143.7112.2-179.9-64.8-174.1-171.300108.9M164 N165 T166 Y200 A254 F266M164-E198 PolarHBondContact O-N 3.2Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 WeakPolarHBondContact CA-O 3.41Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 3.31Å; T166-E198 PolarHBondContact N-O 2.86Å; E198-Y200 HydrophobicContact CB-CE2 4.04Å; E198-Y200 PolarHBondContact OE2-OH 3.32Å; E198-Y200 VanDerWaalsContact OE2-OH 3.13Å; E198-A254 HydrophobicContact CG-CB 4.08Å; E198-A254 WeakPolarHBondContact OE1-CB 3.29Å; E198-A254 PolarHBondContact OE1-N 2.88Å; E198-F266 HydrophobicContact CB-CD2 4.47Å; E198-F266 HydrophobicContact CB-CE2 3.75Å; E198-F266 HydrophobicContact CG-CE2 3.84Å; E198-F266 HydrophobicContact CG-CZ 4.4Å
199T98.2Very high96.5Very high1 Ų121.2 Ų21.21%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-117.9105.9177.7-71.90000111.1T166 L192 T196 C201 H264 F265 F266T166-T199 WeakPolarHBondContact OG1-CG2 3.39Å; T166-T199 PolarHBondContact OG1-OG1 2.92Å; T166-T199 VanDerWaalsContact OG1-OG1 3.05Å; L192-T199 HydrophobicContact CD1-CG2 4.31Å; T196-T199 PolarHBondContact OG1-OG1 2.91Å; T199-C201 PolarHBondContact O-N 2.89Å; T199-H264 PolarHBondContact N-O 3.29Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.42Å; T199-F265 WeakPolarHBondContact O-CA 3.33Å; T199-F266 PolarHBondContact O-N 3Å
200Y98.1Very high96.3Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-81.2105.6174.4-63-95.8000109.4N165 T166 F167 S168 E198 I202 V236 L253 F266 P268 I368N165-Y200 WeakPolarHBondContact OD1-CD2 3.31Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.47Å; T166-Y200 WeakPolarHBondContact O-CD2 3.33Å; T166-Y200 PolarHBondContact O-N 3.12Å; F167-Y200 HydrophobicContact CD1-CD2 4.42Å; F167-Y200 HydrophobicContact CD1-CG 4.12Å; F167-Y200 HydrophobicContact CE1-CD1 4.19Å; F167-Y200 AromaticContact CE1-CD2 4Å; F167-Y200 HydrophobicContact CE1-CD2 4Å; F167-Y200 AromaticContact CE1-CG 3.75Å; F167-Y200 HydrophobicContact CE1-CG 3.75Å; F167-Y200 HydrophobicContact CE2-CD2 4.09Å; F167-Y200 HydrophobicContact CE2-CE2 4.48Å; F167-Y200 AromaticContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CE2 4.17Å; F167-Y200 HydrophobicContact CZ-CG 4.05Å; S168-Y200 PolarHBondContact N-O 2.66Å; E198-Y200 HydrophobicContact CB-CE2 4.04Å; E198-Y200 PolarHBondContact OE2-OH 3.32Å; E198-Y200 VanDerWaalsContact OE2-OH 3.13Å; Y200-I202 PolarHBondContact O-N 3.04Å; Y200-V236 HydrophobicContact CD1-CG2 4.2Å; Y200-V236 HydrophobicContact CE1-CB 4.5Å; Y200-V236 HydrophobicContact CE1-CG1 3.89Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.26Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.41Å; Y200-L253 VanDerWaalsContact OH-CD2 3.24Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.39Å; Y200-F266 HydrophobicContact CD1-CB 4.15Å; Y200-F266 HydrophobicContact CD1-CD2 4.13Å; Y200-F266 HydrophobicContact CD2-CD2 4.35Å; Y200-F266 HydrophobicContact CE1-CB 4.42Å; Y200-F266 AromaticContact CE1-CD2 3.82Å; Y200-F266 HydrophobicContact CE1-CD2 3.82Å; Y200-F266 HydrophobicContact CE2-CD2 4.01Å; Y200-F266 HydrophobicContact CE2-CE2 4.39Å; Y200-F266 HydrophobicContact CG-CD2 4.39Å; Y200-F266 AromaticContact CZ-CD2 3.74Å; Y200-P268 HydrophobicContact CD1-CB 4.33Å; Y200-I368 HydrophobicContact CD1-CG2 4.43Å; Y200-I368 HydrophobicContact CE1-CB 4.49Å; Y200-I368 HydrophobicContact CE1-CD1 3.94Å; Y200-I368 HydrophobicContact CE1-CG1 4.01Å; Y200-I368 HydrophobicContact CE1-CG2 3.72Å
201C97.7Very high96.2Very high3 Ų319.5 Ų19.52%0.0210%0.096CC..EExtended strand (participates in β ladder)trans-78.1119.2179-66.10000110.9V170 T199 F266 P268 I374 L377V170-C201 HydrophobicContact CG2-CB 4.45Å; T199-C201 PolarHBondContact O-N 2.89Å; C201-F266 PolarHBondContact N-O 2.7Å; C201-P268 WeakPolarHBondContact O-CD 3.37Å; C201-I374 HydrophobicContact CB-CD1 3.99Å; C201-L377 HydrophobicContact CB-CD1 4.41Å
202I96.9Very high96Very high0 Ų022.9 Ų22.90%011%0.11CC..EExtended strand (participates in β ladder)trans-119.4110.1-179.9-67.5158.5000108.4F167 S168 V169 V170 Y200 L207 V229 P268F167-I202 HydrophobicContact CB-CD1 4.01Å; F167-I202 HydrophobicContact CD1-CD1 3.91Å; F167-I202 HydrophobicContact CG-CD1 4.47Å; S168-I202 PolarHBondContact O-N 2.73Å; V169-I202 CarbonylContact C-O 3.47Å; V169-I202 WeakPolarHBondContact CA-O 3.22Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.23Å; V170-I202 PolarHBondContact N-O 3.28Å; Y200-I202 PolarHBondContact O-N 3.04Å; I202-L207 HydrophobicContact CG2-CD1 3.48Å; I202-L207 VanDerWaalsContact CG2-CD1 3.48Å; I202-L207 HydrophobicContact CG2-CD2 4.4Å; I202-L207 HydrophobicContact CG2-CG 4.08Å; I202-V229 HydrophobicContact CD1-CG1 3.55Å; I202-V229 HydrophobicContact CD1-CG2 4.44Å; I202-V229 HydrophobicContact CG2-CG2 3.62Å; I202-P268 HydrophobicContact CG1-CG 4.16Å
203D95.1Very high95.7Very high0 Ų030.6 Ų30.60%014%0.139CC..EExtended strand (participates in β ladder)trans-96.3122-176.6-171.9-18.8000111.4E205 A206 L207 M300 A302 R380D203-E205 PolarHBondContact O-N 2.77Å; D203-E205 WeakPolarHBondContact OD1-CB 3.5Å; D203-E205 PolarHBondContact OD1-N 3.34Å; D203-A206 HydrophobicContact CB-CB 4.06Å; D203-A206 PolarHBondContact O-N 3.27Å; D203-A206 VanDerWaalsContact O-N 3.11Å; D203-L207 WeakPolarHBondContact O-CG 3.48Å; D203-L207 PolarHBondContact O-N 3.06Å; D203-M300 WeakPolarHBondContact CB-O 3.18Å; D203-M300 PolarHBondContact N-O 3.17Å; D203-A302 WeakPolarHBondContact OD2-CB 3.43Å; D203-A302 PolarHBondContact OD2-N 2.71Å; D203-R380 IonicContact OD1-NH1 2.63Å; D203-R380 IonicContact OD1-NH2 3.7Å; D203-R380 IonicContact OD2-CZ 3.22Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.66Å; D203-R380 PolarHBondContact OD2-NH1 3.49Å; D203-R380 IonicContact OD2-NH2 3.35Å; D203-R380 PolarHBondContact OD2-NH2 3.48Å
204N93.3Very high95.5Very high15 Ų1532 Ų328%0.0815%0.148CC..Hα-helixtrans-57.5-31.3175.4-81-29.6000113V169 V170 V175 Y208V169-N204 WeakPolarHBondContact CG1-ND2 3.24Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å; V170-N204 PolarHBondContact O-N 3.41Å; V175-N204 HydrophobicContact CB-CB 4.41Å; V175-N204 HydrophobicContact CG1-CB 4.43Å; V175-N204 HydrophobicContact CG2-CB 4.47Å; N204-Y208 VanDerWaalsContact O-CB 3.24Å; N204-Y208 WeakPolarHBondContact O-CB 3.12Å; N204-Y208 PolarHBondContact O-N 3.03Å
205E92.6Very high95.3Very high28 Ų2828.3 Ų28.313%0.13113%0.131CC..Hα-helixtrans-63.2-49.2174.5-164.5166.8163.500111.4S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.31Å; S172-E205 PolarHBondContact OG-OE2 2.78Å; S172-E205 VanDerWaalsContact OG-OE2 3.12Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.43Å; K174-E205 IonicContact NZ-OE1 2.7Å; K174-E205 PolarHBondContact NZ-OE1 3.08Å; D203-E205 PolarHBondContact O-N 2.77Å; D203-E205 WeakPolarHBondContact OD1-CB 3.5Å; D203-E205 PolarHBondContact OD1-N 3.34Å; E205-Y208 PolarHBondContact O-N 3.37Å; E205-D209 PolarHBondContact O-N 2.96Å; E205-A302 HydrophobicContact CB-CB 4.4Å; E205-R380 IonicContact OE2-CZ 2.74Å; E205-R380 IonicContact OE2-NH1 2.81Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å
206A94.6Very high95.1Very high10 Ų1034.3 Ų34.38%0.08316%0.156CC..Hα-helixtrans-66.1-43.8-179.600000111.2D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.06Å; D203-A206 PolarHBondContact O-N 3.27Å; D203-A206 VanDerWaalsContact O-N 3.11Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 3Å; A206-D209 PolarHBondContact O-N 3.34Å; A206-I210 VanDerWaalsContact O-CG1 3.32Å; A206-I210 WeakPolarHBondContact O-CG1 3.49Å; A206-I210 PolarHBondContact O-N 3.01Å; A206-A302 HydrophobicContact CB-CB 4.24Å
207L95.4Very high94.9Very high1 Ų135.7 Ų35.71%0.00516%0.163CC..Hα-helixtrans-60.6-43.3175.7-67.7177.7000112.1I202 D203 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.48Å; I202-L207 VanDerWaalsContact CG2-CD1 3.48Å; I202-L207 HydrophobicContact CG2-CD2 4.4Å; I202-L207 HydrophobicContact CG2-CG 4.08Å; D203-L207 WeakPolarHBondContact O-CG 3.48Å; D203-L207 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 2.82Å; L207-C211 WeakPolarHBondContact O-CB 3.4Å; L207-C211 PolarHBondContact O-N 3.43Å; L207-C211 PolarHBondContact O-SG 2.88Å; L207-L225 HydrophobicContact CB-CB 4.39Å; L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.87Å; L207-L225 HydrophobicContact CD1-CB 4.23Å; L207-L225 HydrophobicContact CD1-CG 4.48Å; L207-L228 HydrophobicContact CD2-CB 4.1Å; L207-L228 HydrophobicContact CD2-CD1 4.31Å; L207-V229 HydrophobicContact CD1-CG2 3.58Å; L207-V229 HydrophobicContact CD2-CG2 4.17Å; L207-M300 HydrophobicContact CD2-CB 4.15Å; L207-M300 HydrophobicContact CD2-CE 4.48Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.92Å
208Y93.7Very high94.6Very high84 Ų8439.2 Ų39.233%0.32919%0.187SC..Hα-helixtrans-62.2-45.9176.5-173.3-85.5000111.1V175 N204 E205 A206 I210 C211 F212 P220V175-Y208 HydrophobicContact CG2-CG 4.43Å; N204-Y208 VanDerWaalsContact O-CB 3.24Å; N204-Y208 WeakPolarHBondContact O-CB 3.12Å; N204-Y208 PolarHBondContact O-N 3.03Å; E205-Y208 PolarHBondContact O-N 3.37Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 3Å; Y208-I210 PolarHBondContact O-N 3.5Å; Y208-C211 PolarHBondContact O-N 3.41Å; Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.14Å; Y208-F212 HydrophobicContact CE1-CG 4.4Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.3Å; Y208-F212 PolarHBondContact O-N 2.8Å; Y208-P220 HydrophobicContact CD2-CB 3.96Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.91Å; Y208-P220 HydrophobicContact CE2-CG 3.88Å
209D93.9Very high94.3Very high46 Ų4644.3 Ų44.325%0.24622%0.218CC..Hα-helixtrans-63.8-38.7178.2-94.3-24.5000112.5E205 A206 R213E205-D209 PolarHBondContact O-N 2.96Å; A206-D209 PolarHBondContact O-N 3.34Å; D209-R213 VanDerWaalsContact CG-NH2 3.34Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.5Å; D209-R213 WeakPolarHBondContact O-CG 3.26Å; D209-R213 PolarHBondContact O-N 3.29Å; D209-R213 IonicContact OD1-CZ 2.99Å; D209-R213 VanDerWaalsContact OD1-CZ 3.23Å; D209-R213 IonicContact OD1-NE 3.23Å; D209-R213 PolarHBondContact OD1-NE 2.76Å; D209-R213 IonicContact OD1-NH2 3.62Å; D209-R213 PolarHBondContact OD1-NH2 3.35Å; D209-R213 IonicContact OD2-CZ 2.91Å; D209-R213 IonicContact OD2-NE 3.59Å; D209-R213 IonicContact OD2-NH2 2.86Å; D209-R213 PolarHBondContact OD2-NH2 3.02Å; D209-R213 VanDerWaalsContact OD2-NH2 3.07Å
210I95Very high94Very high1 Ų145.1 Ų45.11%0.00522%0.223CC..Iπ-helixtrans-60.3-50.7172.8-71.2164.8000110.3A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 VanDerWaalsContact O-CG1 3.32Å; A206-I210 WeakPolarHBondContact O-CG1 3.49Å; A206-I210 PolarHBondContact O-N 3.01Å; L207-I210 PolarHBondContact O-N 2.82Å; Y208-I210 PolarHBondContact O-N 3.5Å; I210-F212 PolarHBondContact O-N 3.14Å; I210-T214 WeakPolarHBondContact O-CA 3.48Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 2.82Å; I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.49Å; I210-L228 HydrophobicContact CB-CD1 4.22Å; I210-L228 HydrophobicContact CG2-CD1 3.65Å; I210-L273 HydrophobicContact CD1-CD1 4.47Å; I210-L273 HydrophobicContact CG2-CD1 3.82Å; I210-L273 HydrophobicContact CG2-CD2 3.93Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.24Å; I210-M300 HydrophobicContact CD1-CG 4.25Å
211C94.5Very high93.8Very high0 Ų048.7 Ų48.70%025%0.245CC..Iπ-helixtrans-60.7-46.3179.8-77.20000112L207 Y208 L215 K216 L217 P220 L228L207-C211 WeakPolarHBondContact O-CB 3.4Å; L207-C211 PolarHBondContact O-N 3.43Å; L207-C211 PolarHBondContact O-SG 2.88Å; Y208-C211 PolarHBondContact O-N 3.41Å; C211-L215 CarbonylContact O-C 3.53Å; C211-L215 WeakPolarHBondContact O-CB 3.13Å; C211-K216 PolarHBondContact O-N 3.01Å; C211-L217 HydrophobicContact CB-CD1 4.1Å; C211-L217 WeakPolarHBondContact O-CB 3.39Å; C211-L217 WeakPolarHBondContact O-CG 3.25Å; C211-L217 PolarHBondContact O-N 3.3Å; C211-P220 HydrophobicContact CB-CB 3.65Å; C211-P220 HydrophobicContact CB-CG 3.75Å; C211-L228 VanDerWaalsContact SG-CD1 3.58Å
212F93.9Very high93.5Very high97 Ų9753.9 Ų53.943%0.42527%0.265SS..Iπ-helixtrans-73.3-51.6-176.1-176.3-109.3000112.5Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.14Å; Y208-F212 HydrophobicContact CE1-CG 4.4Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.3Å; Y208-F212 PolarHBondContact O-N 2.8Å; I210-F212 PolarHBondContact O-N 3.14Å; F212-K216 VanDerWaalsContact O-CA 3.3Å; F212-K216 WeakPolarHBondContact O-CA 3.44Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.41Å; F212-P220 HydrophobicContact CB-CG 3.97Å
213R92.8Very high93.3Very high164 Ų16456.1 Ų56.162%0.61929%0.288SS*.Iπ-helixtrans-87.3-47.4-171.8-55.7-176.5-165.9-172.29.8112.5D209D209-R213 VanDerWaalsContact CG-NH2 3.34Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.5Å; D209-R213 WeakPolarHBondContact O-CG 3.26Å; D209-R213 PolarHBondContact O-N 3.29Å; D209-R213 IonicContact OD1-CZ 2.99Å; D209-R213 VanDerWaalsContact OD1-CZ 3.23Å; D209-R213 IonicContact OD1-NE 3.23Å; D209-R213 PolarHBondContact OD1-NE 2.76Å; D209-R213 IonicContact OD1-NH2 3.62Å; D209-R213 PolarHBondContact OD1-NH2 3.35Å; D209-R213 IonicContact OD2-CZ 2.91Å; D209-R213 IonicContact OD2-NE 3.59Å; D209-R213 IonicContact OD2-NH2 2.86Å; D209-R213 PolarHBondContact OD2-NH2 3.02Å; D209-R213 VanDerWaalsContact OD2-NH2 3.07Å
214T92.5Very high93.3Very high38 Ų3857.9 Ų57.923%0.23330%0.298CS..Iπ-helixtrans-84.9-48.6-172.3-54.60000111.4I210 K216 L273I210-T214 WeakPolarHBondContact O-CA 3.48Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 2.82Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-L273 HydrophobicContact CG2-CB 3.72Å
215L93.1Very high93.4Very high33 Ų3357.3 Ų57.317%0.17329%0.294CS..SBendtrans-82.2-10.5177.9-56.2-176.9000113.3I210 C211 L217 L228 L273 S275I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.49Å; C211-L215 CarbonylContact O-C 3.53Å; C211-L215 WeakPolarHBondContact O-CB 3.13Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 HydrophobicContact CB-CD1 4.47Å; L215-L217 HydrophobicContact CB-CG 4.07Å; L215-L217 PolarHBondContact O-N 3.17Å; L215-L228 HydrophobicContact CD1-CD1 4.38Å; L215-L228 HydrophobicContact CD1-CD2 4.29Å; L215-L273 HydrophobicContact CD2-CB 4.24Å; L215-L273 HydrophobicContact CD2-CD2 4.32Å; L215-S275 VanDerWaalsContact O-CB 3.24Å; L215-S275 WeakPolarHBondContact O-CB 3.4Å
216K93.1Very high93.5Very high145 Ų14556.7 Ų56.763%0.6329%0.292SS*.  trans59.736.7178.2-56.3-178.6179.91780113.1C211 F212 T214C211-K216 PolarHBondContact O-N 3.01Å; F212-K216 VanDerWaalsContact O-CA 3.3Å; F212-K216 WeakPolarHBondContact O-CA 3.44Å; T214-K216 VanDerWaalsContact C-N 3.31Å
217L92.9Very high93.5Very high38 Ų3860.9 Ų60.920%0.19931%0.309CS..  trans-81.5124.4173.2-55.6-177.6000108.9C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.1Å; C211-L217 WeakPolarHBondContact O-CB 3.39Å; C211-L217 WeakPolarHBondContact O-CG 3.25Å; C211-L217 PolarHBondContact O-N 3.3Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.41Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 HydrophobicContact CB-CD1 4.47Å; L215-L217 HydrophobicContact CB-CG 4.07Å; L215-L217 PolarHBondContact O-N 3.17Å; L217-P220 HydrophobicContact CB-CG 4.29Å; L217-D224 HydrophobicContact CD1-CB 3.88Å
218T91.1Very high93.5Very high120 Ų12061.3 Ų61.374%0.73631%0.312SS*.SBendtrans-71.1-31.7-176.949.40000113.2
219T91.2Very high93.6Very high106 Ų10657.3 Ų57.365%0.6530%0.296SS*.SBendtrans-137.779.7178.652.30000108.9T221T219-T221 PolarHBondContact O-N 3.5Å
220P92.9Very high93.7Very high18 Ų1855.1 Ų55.112%0.11729%0.285CS..  trans-54.3133.3175-24.834.6000111.3Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 3.96Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.91Å; Y208-P220 HydrophobicContact CE2-CG 3.88Å; C211-P220 HydrophobicContact CB-CB 3.65Å; C211-P220 HydrophobicContact CB-CG 3.75Å; F212-P220 HydrophobicContact CB-CG 3.97Å; L217-P220 HydrophobicContact CB-CG 4.29Å; P220-L225 HydrophobicContact CB-CD1 4.01Å
221T93Very high93.7Very high75 Ų7555.8 Ų55.846%0.4629%0.29SS..  trans-109.2159.4175.767.90000110.3T219 G223 D224 L225T219-T221 PolarHBondContact O-N 3.5Å; T221-G223 PolarHBondContact O-N 3.04Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 3.12Å; T221-D224 WeakPolarHBondContact CB-OD2 3.35Å; T221-D224 PolarHBondContact N-OD2 2.99Å; T221-D224 WeakPolarHBondContact O-CA 3.28Å; T221-D224 WeakPolarHBondContact O-CB 3.24Å; T221-D224 PolarHBondContact O-N 3.43Å; T221-D224 PolarHBondContact OG1-N 2.91Å; T221-D224 PolarHBondContact OG1-OD2 2.83Å; T221-L225 WeakPolarHBondContact O-CD1 3.03Å; T221-L225 PolarHBondContact O-N 2.91Å; T221-L225 VanDerWaalsContact O-N 3.14Å
222Y91.6Very high93.7Very high113 Ų11355.8 Ų55.844%0.44329%0.29SS..Hα-helixtrans-55-28.2172.3-76.1-69.9000113D224 L225 N226Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.44Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 HydrophobicContact CE1-CD2 4.49Å; Y222-L225 PolarHBondContact O-N 3.08Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.29Å; Y222-N226 PolarHBondContact O-N 3.3Å; Y222-N226 PolarHBondContact O-ND2 2.99Å; Y222-N226 PolarHBondContact O-OD1 2.91Å
223G93.5Very high93.8Very high47 Ų4751.2 Ų51.249%0.48527%0.27SS..Hα-helixtrans-62.8-37.2172.100000113.5T221 H227T221-G223 PolarHBondContact O-N 3.04Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 3.12Å; G223-H227 WeakPolarHBondContact O-CB 3.03Å; G223-H227 PolarHBondContact O-N 3.14Å; G223-H227 VanDerWaalsContact O-N 3.16Å
224D94.2Very high93.9Very high37 Ų3743.4 Ų43.420%0.19824%0.241CC..Hα-helixtrans-70.5-42.5175.6-57-66.6000111.2L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.88Å; T221-D224 WeakPolarHBondContact CB-OD2 3.35Å; T221-D224 PolarHBondContact N-OD2 2.99Å; T221-D224 WeakPolarHBondContact O-CA 3.28Å; T221-D224 WeakPolarHBondContact O-CB 3.24Å; T221-D224 PolarHBondContact O-N 3.43Å; T221-D224 PolarHBondContact OG1-N 2.91Å; T221-D224 PolarHBondContact OG1-OD2 2.83Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.44Å; D224-H227 PolarHBondContact O-N 3.27Å; D224-L228 PolarHBondContact O-N 2.8Å
225L94.9Very high94Very high3 Ų341.6 Ų41.62%0.01623%0.229CC..Hα-helixtrans-62.5-50.4177.2-78.767.3000110.3L207 P220 T221 Y222 H227 L228 V229L207-L225 HydrophobicContact CB-CB 4.39Å; L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.87Å; L207-L225 HydrophobicContact CD1-CB 4.23Å; L207-L225 HydrophobicContact CD1-CG 4.48Å; P220-L225 HydrophobicContact CB-CD1 4.01Å; T221-L225 WeakPolarHBondContact O-CD1 3.03Å; T221-L225 PolarHBondContact O-N 2.91Å; T221-L225 VanDerWaalsContact O-N 3.14Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 HydrophobicContact CE1-CD2 4.49Å; Y222-L225 PolarHBondContact O-N 3.08Å; L225-H227 PolarHBondContact O-N 3.17Å; L225-L228 WeakPolarHBondContact O-CB 3.13Å; L225-L228 PolarHBondContact O-N 2.85Å; L225-V229 WeakPolarHBondContact O-CG2 3.07Å; L225-V229 PolarHBondContact O-N 3.03Å; L225-V229 VanDerWaalsContact O-N 3.09Å
226N94.9Very high94Very high14 Ų1440.2 Ų40.28%0.07522%0.223CC..Hα-helixtrans-61.6-30.2179.6-66.5-10000112.3I16 Y222 V229 S230I16-N226 HydrophobicContact CG1-CB 4.21Å; I16-N226 VanDerWaalsContact CG1-OD1 3.28Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.43Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.29Å; Y222-N226 PolarHBondContact O-N 3.3Å; Y222-N226 PolarHBondContact O-ND2 2.99Å; Y222-N226 PolarHBondContact O-OD1 2.91Å; N226-V229 PolarHBondContact O-N 3.25Å; N226-S230 WeakPolarHBondContact O-CB 3.22Å; N226-S230 PolarHBondContact O-N 3.02Å; N226-S230 PolarHBondContact O-OG 2.8Å
227H94.9Very high94Very high98 Ų9833.3 Ų33.345%0.45419%0.193SC..Hα-helixtrans-66.9-38.5174.1-179.350.5000112.7G223 D224 L225 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.03Å; G223-H227 PolarHBondContact O-N 3.14Å; G223-H227 VanDerWaalsContact O-N 3.16Å; D224-H227 PolarHBondContact O-N 3.27Å; L225-H227 PolarHBondContact O-N 3.17Å; H227-S230 PolarHBondContact O-OG 3.33Å; H227-S230 VanDerWaalsContact O-OG 3.09Å; H227-A231 WeakPolarHBondContact O-CB 3.22Å; H227-A231 PolarHBondContact O-N 3.41Å; H227-A231 VanDerWaalsContact O-N 3.08Å
228L94.9Very high93.9Very high10 Ų1031.5 Ų31.55%0.05218%0.183CC..Hα-helixtrans-65.9-45.5174-72.4176.4000111.2L207 I210 C211 L215 D224 L225 S230 A231 T232 L273 M300L207-L228 HydrophobicContact CD2-CB 4.1Å; L207-L228 HydrophobicContact CD2-CD1 4.31Å; I210-L228 HydrophobicContact CB-CD1 4.22Å; I210-L228 HydrophobicContact CG2-CD1 3.65Å; C211-L228 VanDerWaalsContact SG-CD1 3.58Å; L215-L228 HydrophobicContact CD1-CD1 4.38Å; L215-L228 HydrophobicContact CD1-CD2 4.29Å; D224-L228 PolarHBondContact O-N 2.8Å; L225-L228 WeakPolarHBondContact O-CB 3.13Å; L225-L228 PolarHBondContact O-N 2.85Å; L228-S230 VanDerWaalsContact C-N 3.35Å; L228-S230 PolarHBondContact O-N 3.17Å; L228-A231 PolarHBondContact O-N 3.24Å; L228-T232 PolarHBondContact O-N 3.19Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.88Å; L228-L273 HydrophobicContact CD2-CD2 3.57Å; L228-M300 HydrophobicContact CB-CE 3.92Å
229V96.8Very high93.7Very high1 Ų126 Ų261%0.00615%0.149CC..Hα-helixtrans-59.9-46.5177.9179.80000111I16 I202 L207 L225 N226 A231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.21Å; I16-V229 HydrophobicContact CG1-CG1 4.49Å; I16-V229 HydrophobicContact CG2-CB 4.19Å; I16-V229 HydrophobicContact CG2-CG1 3.55Å; I202-V229 HydrophobicContact CD1-CG1 3.55Å; I202-V229 HydrophobicContact CD1-CG2 4.44Å; I202-V229 HydrophobicContact CG2-CG2 3.62Å; L207-V229 HydrophobicContact CD1-CG2 3.58Å; L207-V229 HydrophobicContact CD2-CG2 4.17Å; L225-V229 WeakPolarHBondContact O-CG2 3.07Å; L225-V229 PolarHBondContact O-N 3.03Å; L225-V229 VanDerWaalsContact O-N 3.09Å; N226-V229 PolarHBondContact O-N 3.25Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 2.99Å; V229-T232 WeakPolarHBondContact O-CB 3.2Å; V229-T232 PolarHBondContact O-N 3.23Å; V229-M233 HydrophobicContact CG1-CG 4.27Å; V229-M233 HydrophobicContact CG1-SD 3.89Å; V229-M233 WeakPolarHBondContact O-CG 3.45Å; V229-M233 PolarHBondContact O-N 3.22Å
230S96.2Very high93.6Very high0 Ų021.7 Ų21.70%012%0.122CC..Hα-helixtrans-66.4-35-179.773.30000113.1N226 H227 L228 T232 M233 S234N226-S230 WeakPolarHBondContact O-CB 3.22Å; N226-S230 PolarHBondContact O-N 3.02Å; N226-S230 PolarHBondContact O-OG 2.8Å; H227-S230 PolarHBondContact O-OG 3.33Å; H227-S230 VanDerWaalsContact O-OG 3.09Å; L228-S230 VanDerWaalsContact C-N 3.35Å; L228-S230 PolarHBondContact O-N 3.17Å; S230-T232 VanDerWaalsContact C-N 3.35Å; S230-M233 PolarHBondContact O-N 2.95Å; S230-S234 WeakPolarHBondContact O-CB 3.48Å; S230-S234 PolarHBondContact O-N 3.01Å
231A94.5Very high93.6Very high15 Ų1520.8 Ų20.812%0.12412%0.117CC..Hα-helixtrans-62.9-42.2173.900000111.6H227 L228 V229 G235 F270H227-A231 WeakPolarHBondContact O-CB 3.22Å; H227-A231 PolarHBondContact O-N 3.41Å; H227-A231 VanDerWaalsContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.24Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 2.99Å; A231-G235 PolarHBondContact O-N 2.85Å; A231-F270 HydrophobicContact CB-CD2 4.08Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CG 4.4Å; A231-F270 HydrophobicContact CB-CZ 4.21Å
232T95.2Very high93.4Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-63.8-50.7173.5-66.60000111.8L228 V229 S230 S234 G235 V236 P268 M300 T366L228-T232 PolarHBondContact O-N 3.19Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.88Å; V229-T232 WeakPolarHBondContact O-CB 3.2Å; V229-T232 PolarHBondContact O-N 3.23Å; S230-T232 VanDerWaalsContact C-N 3.35Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.02Å; T232-G235 WeakPolarHBondContact O-CA 3.49Å; T232-G235 PolarHBondContact O-N 3.3Å; T232-V236 HydrophobicContact CG2-CG2 4.35Å; T232-V236 WeakPolarHBondContact O-CG2 3.31Å; T232-V236 PolarHBondContact O-N 3.32Å; T232-P268 HydrophobicContact CG2-CB 3.56Å; T232-P268 HydrophobicContact CG2-CG 4.32Å; T232-M300 HydrophobicContact CG2-SD 4.28Å; T232-M300 WeakPolarHBondContact OG1-CE 3.21Å; T232-M300 PolarHBondContact OG1-SD 3.3Å; T232-T366 HydrophobicContact CG2-CG2 4.33Å
233M96.4Very high92.7Very high0 Ų013.5 Ų13.50%08%0.084CC..Hα-helixtrans-56.3-43.6177.8-71.1170.873.500112I16 F20 T136 F167 V229 S230 G235 T237I16-M233 HydrophobicContact CG2-SD 3.56Å; I16-M233 VanDerWaalsContact CG2-SD 3.56Å; F20-M233 HydrophobicContact CB-CE 4.14Å; F20-M233 HydrophobicContact CB-SD 4.32Å; F20-M233 HydrophobicContact CD1-CE 4.12Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 3.99Å; F20-M233 HydrophobicContact CD2-SD 4.32Å; F20-M233 HydrophobicContact CE2-CB 3.72Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CE 3.82Å; F20-M233 HydrophobicContact CG-SD 4.4Å; T136-M233 HydrophobicContact CG2-CE 4.42Å; T136-M233 WeakPolarHBondContact OG1-CE 3.33Å; F167-M233 HydrophobicContact CD1-CG 3.38Å; F167-M233 HydrophobicContact CD1-SD 4.39Å; F167-M233 HydrophobicContact CD2-CE 4.24Å; F167-M233 HydrophobicContact CD2-CG 4.2Å; F167-M233 HydrophobicContact CE1-CB 4.17Å; F167-M233 HydrophobicContact CE1-CG 3.48Å; F167-M233 VanDerWaalsContact CE1-CG 3.48Å; F167-M233 HydrophobicContact CE2-CG 4.33Å; F167-M233 HydrophobicContact CG-CE 4.3Å; F167-M233 HydrophobicContact CG-CG 3.75Å; F167-M233 HydrophobicContact CG-SD 4.29Å; F167-M233 HydrophobicContact CZ-CB 4.36Å; F167-M233 HydrophobicContact CZ-CG 3.97Å; V229-M233 HydrophobicContact CG1-CG 4.27Å; V229-M233 HydrophobicContact CG1-SD 3.89Å; V229-M233 WeakPolarHBondContact O-CG 3.45Å; V229-M233 PolarHBondContact O-N 3.22Å; S230-M233 PolarHBondContact O-N 2.95Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 2.95Å; M233-T237 WeakPolarHBondContact O-CG2 3.5Å; M233-T237 PolarHBondContact O-N 3.35Å; M233-T237 PolarHBondContact O-OG1 2.83Å
234S94.9Very high91.7Very high0 Ų012.4 Ų12.40%07%0.073CC..Hα-helixtrans-61.7-41175.5174.80000111.6E27 S230 T232 T237 T238 R241 R318E27-S234 PolarHBondContact OE1-OG 3Å; E27-S234 PolarHBondContact OE2-OG 2.97Å; S230-S234 WeakPolarHBondContact O-CB 3.48Å; S230-S234 PolarHBondContact O-N 3.01Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.02Å; S234-T237 PolarHBondContact O-OG1 3.24Å; S234-T238 WeakPolarHBondContact O-CB 3.45Å; S234-T238 PolarHBondContact O-N 2.76Å; S234-T238 VanDerWaalsContact O-N 3.12Å; S234-R241 PolarHBondContact O-NH2 2.81Å; S234-R241 PolarHBondContact OG-NH2 3.05Å; S234-R318 PolarHBondContact OG-NH1 3.32Å
235G94.1Very high90.1Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-66.2-47177.500000114.2A231 T232 M233 T237 T238 T366A231-G235 PolarHBondContact O-N 2.85Å; T232-G235 WeakPolarHBondContact O-CA 3.49Å; T232-G235 PolarHBondContact O-N 3.3Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 2.95Å; G235-T237 PolarHBondContact O-N 3.31Å; G235-T238 WeakPolarHBondContact O-CB 3.44Å; G235-T238 PolarHBondContact O-N 2.8Å; G235-T366 WeakPolarHBondContact CA-OG1 3.46Å
236V92.8Very high88.4Confident5 Ų519.7 Ų19.73%0.0311%0.107CC..Hα-helixtrans-54.7-42176.1171.70000110.8F167 Y200 T232 L253 T366 I368F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.21Å; F167-V236 HydrophobicContact CZ-CG1 4.14Å; F167-V236 HydrophobicContact CZ-CG2 4.33Å; Y200-V236 HydrophobicContact CD1-CG2 4.2Å; Y200-V236 HydrophobicContact CE1-CB 4.5Å; Y200-V236 HydrophobicContact CE1-CG1 3.89Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.26Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.41Å; T232-V236 HydrophobicContact CG2-CG2 4.35Å; T232-V236 WeakPolarHBondContact O-CG2 3.31Å; T232-V236 PolarHBondContact O-N 3.32Å; V236-L253 HydrophobicContact CG1-CD2 4.45Å; V236-T366 HydrophobicContact CG2-CG2 3.92Å; V236-I368 HydrophobicContact CG1-CD1 4.26Å; V236-I368 HydrophobicContact CG2-CD1 4.03Å; V236-I368 HydrophobicContact CG2-CG1 4.21Å
237T92.2Very high86.5Confident0 Ų025 Ų250%014%0.135CC..THydrogen-bonded Turntrans-91.50.1-173.461.50000113.5Y50 M233 S234 G235 C239 L240 R241Y50-T237 HydrophobicContact CE2-CG2 4.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.47Å; M233-T237 WeakPolarHBondContact O-CG2 3.5Å; M233-T237 PolarHBondContact O-N 3.35Å; M233-T237 PolarHBondContact O-OG1 2.83Å; S234-T237 PolarHBondContact O-OG1 3.24Å; G235-T237 PolarHBondContact O-N 3.31Å; T237-C239 PolarHBondContact O-N 3.46Å; T237-L240 HydrophobicContact CG2-CD1 4.38Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.26Å; T237-L240 PolarHBondContact O-N 3.18Å; T237-L240 VanDerWaalsContact O-N 3.09Å; T237-R241 PolarHBondContact O-N 2.99Å; T237-R241 PolarHBondContact OG1-NE 3.11Å
238T91.6Very high85.3Confident0 Ų021.6 Ų21.60%012%0.124CC..Hα-helixtrans-64.3-39.8-170.3-145.60000112.7S234 G235 L240 R241 F242 I316 R318 C354S234-T238 WeakPolarHBondContact O-CB 3.45Å; S234-T238 PolarHBondContact O-N 2.76Å; S234-T238 VanDerWaalsContact O-N 3.12Å; G235-T238 WeakPolarHBondContact O-CB 3.44Å; G235-T238 PolarHBondContact O-N 2.8Å; T238-L240 PolarHBondContact O-N 3.41Å; T238-R241 PolarHBondContact O-N 3.4Å; T238-F242 PolarHBondContact O-N 2.89Å; T238-I316 HydrophobicContact CG2-CG2 3.51Å; T238-R318 HydrophobicContact CG2-CG 3.95Å; T238-R318 PolarHBondContact OG1-NE 2.9Å; T238-R318 VanDerWaalsContact OG1-NE 3.16Å; T238-R318 PolarHBondContact OG1-NH2 2.84Å; T238-C354 HydrophobicContact CG2-CB 3.9Å
239C87Confident84.8Confident4 Ų422.2 Ų22.23%0.02713%0.128CC..Hα-helixtrans-72.3-14.2179.6-62.80000112.9R46 T237 A248R46-C239 PolarHBondContact NH1-O 3.16Å; T237-C239 PolarHBondContact O-N 3.46Å; C239-A248 HydrophobicContact CB-CB 3.88Å
240L89.4Confident84.4Confident15 Ų1522.2 Ų22.28%0.07913%0.128CC..Hα-helixtrans-80-46.5172.6-45.8178.6000109.1I4 R46 V49 T237 T238 A248 D249 L250I4-L240 HydrophobicContact CD1-CD1 3.6Å; R46-L240 WeakPolarHBondContact CD-O 3.45Å; V49-L240 HydrophobicContact CG1-CB 4.21Å; V49-L240 WeakPolarHBondContact CG2-O 3.27Å; T237-L240 HydrophobicContact CG2-CD1 4.38Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.26Å; T237-L240 PolarHBondContact O-N 3.18Å; T237-L240 VanDerWaalsContact O-N 3.09Å; T238-L240 PolarHBondContact O-N 3.41Å; L240-A248 VanDerWaalsContact CD2-O 3.26Å; L240-A248 WeakPolarHBondContact CD2-O 3.44Å; L240-D249 VanDerWaalsContact CD2-CA 3.5Å; L240-L250 HydrophobicContact CD1-CD2 3.82Å; L240-L250 HydrophobicContact CD1-CG 4.01Å
241R91.6Very high84.2Confident0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-83.8-21.8-172.4-66.9-177.3-62107.1-3.8115.6E27 H28 R46 V49 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 3.8Å; E27-R241 IonicContact OE2-NH1 3.96Å; E27-R241 PolarHBondContact OE2-NH1 3.36Å; E27-R241 IonicContact OE2-NH2 3.46Å; E27-R241 PolarHBondContact OE2-NH2 2.87Å; H28-R241 PolarHBondContact NE2-NH1 3.34Å; R46-R241 WeakPolarHBondContact CB-O 3.17Å; V49-R241 HydrophobicContact CB-CG 4.47Å; V49-R241 HydrophobicContact CG1-CG 4.25Å; Y50-R241 HydrophobicContact CD2-CG 3.62Å; Y50-R241 HydrophobicContact CE2-CG 3.74Å; S234-R241 PolarHBondContact O-NH2 2.81Å; S234-R241 PolarHBondContact OG-NH2 3.05Å; T237-R241 PolarHBondContact O-N 2.99Å; T237-R241 PolarHBondContact OG1-NE 3.11Å; T238-R241 PolarHBondContact O-N 3.4Å
242F89Confident84Confident0 Ų030.7 Ų30.70%016%0.159CC..SBendtrans-127145.8-180-63-59.8000111.2E27 H28 L42 R46 T238 G244 I356E27-F242 HydrophobicContact CB-CE2 4.3Å; E27-F242 HydrophobicContact CB-CZ 3.95Å; H28-F242 AromaticContact CE1-CE1 3.56Å; H28-F242 AromaticContact CE1-CZ 3.77Å; H28-F242 AromaticContact ND1-CE1 3.77Å; H28-F242 AromaticContact NE2-CZ 3.95Å; L42-F242 WeakPolarHBondContact O-CD1 3.4Å; R46-F242 PolarHBondContact NH1-O 2.8Å; T238-F242 PolarHBondContact O-N 2.89Å; F242-G244 PolarHBondContact O-N 3.43Å; F242-I356 HydrophobicContact CB-CD1 4Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CB 4.44Å; F242-I356 HydrophobicContact CD2-CD1 4.19Å; F242-I356 HydrophobicContact CD2-CG2 4.48Å; F242-I356 HydrophobicContact CE1-CD1 3.78Å; F242-I356 HydrophobicContact CE2-CG2 4.19Å; F242-I356 HydrophobicContact CG-CD1 3.56Å; F242-I356 HydrophobicContact CZ-CD1 4.37Å; F242-I356 HydrophobicContact CZ-CG2 4.34Å
243P78.6Confident83.7Confident34 Ų3432 Ų3222%0.22117%0.166CC..  trans-58.4128.516929.1-37.1000109.6L42 E45L42-P243 HydrophobicContact CD2-CG 3.69Å; E45-P243 WeakPolarHBondContact OE2-CG 3.46Å
244G71.4Confident83.6Confident24 Ų2432.6 Ų32.625%0.24717%0.171CC..  trans-147.1168177.400000109.7F242 L246F242-G244 PolarHBondContact O-N 3.43Å; G244-L246 VanDerWaalsContact C-N 3.26Å; G244-L246 PolarHBondContact O-N 2.81Å
245Q61.8Low83.4Confident141 Ų14137.8 Ų37.866%0.65920%0.202SC*.SBendtrans-69.3-23.3-174.5-69.1-177.9-14.500113.5M323Q245-M323 PolarHBondContact OE1-SD 3.32Å
246L58.4Low83.3Confident53 Ų5340.6 Ų40.628%0.27722%0.217SC..SBendtrans-88.9121166.7-89.397.6000110.6G244 A248 T351 A352G244-L246 VanDerWaalsContact C-N 3.26Å; G244-L246 PolarHBondContact O-N 2.81Å; L246-A248 HydrophobicContact CB-CB 4.28Å; L246-A248 PolarHBondContact O-N 2.82Å; L246-T351 WeakPolarHBondContact CD1-O 3.19Å; L246-A352 HydrophobicContact CD1-CB 3.94Å
247N54.7Low83.4Confident124 Ų12440.3 Ų40.366%0.66322%0.215SC*.  trans-61.186.3151.1-75-26.2000106.7K252N247-K252 WeakPolarHBondContact O-CD 3.2Å; N247-K252 WeakPolarHBondContact O-CE 3.27Å; N247-K252 PolarHBondContact O-NZ 2.87Å
248A70.1Confident83.6Confident27 Ų2741.5 Ų41.522%0.22322%0.223CC..  trans-109.1137.7175.300000108.1C239 L240 L246C239-A248 HydrophobicContact CB-CB 3.88Å; L240-A248 VanDerWaalsContact CD2-O 3.26Å; L240-A248 WeakPolarHBondContact CD2-O 3.44Å; L246-A248 HydrophobicContact CB-CB 4.28Å; L246-A248 PolarHBondContact O-N 2.82Å
249D84.2Confident83.7Confident24 Ų2443.9 Ų43.913%0.12824%0.238CC..  trans-147.3148.1-176.291.760.9000103.9R2 Q131 L240 R251 K252 L253R2-D249 IonicContact CZ-OD2 2.97Å; R2-D249 IonicContact NH1-OD1 3.33Å; R2-D249 PolarHBondContact NH1-OD1 3.23Å; R2-D249 IonicContact NH1-OD2 3.75Å; R2-D249 PolarHBondContact NH1-OD2 3.44Å; R2-D249 IonicContact NH2-OD2 3.84Å; Q131-D249 VanDerWaalsContact NE2-C 3.33Å; Q131-D249 PolarHBondContact NE2-OD1 3.33Å; L240-D249 VanDerWaalsContact CD2-CA 3.5Å; D249-R251 VanDerWaalsContact C-N 3.25Å; D249-R251 PolarHBondContact O-N 2.88Å; D249-R251 WeakPolarHBondContact OD1-CB 3.5Å; D249-R251 PolarHBondContact OD1-N 3.32Å; D249-K252 CarbonylContact O-C 3.57Å; D249-K252 WeakPolarHBondContact O-CA 3.45Å; D249-K252 WeakPolarHBondContact O-CB 3.46Å; D249-K252 PolarHBondContact O-N 2.93Å; D249-K252 PolarHBondContact OD1-N 2.9Å; D249-L253 PolarHBondContact O-N 2.78Å
250L87.7Confident84.1Confident1 Ų144.7 Ų44.71%0.00524%0.241CC..Hα-helixtrans-49.6-43.7-175.8-67.3175.3000112.8I4 Q131 I163 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.82Å; I4-L250 HydrophobicContact CD1-CG 4.24Å; I4-L250 HydrophobicContact CG1-CD1 4.02Å; Q131-L250 VanDerWaalsContact CD-N 3.25Å; Q131-L250 HydrophobicContact CG-CB 3.92Å; Q131-L250 HydrophobicContact CG-CD1 4.12Å; Q131-L250 HydrophobicContact CG-CG 4.24Å; I163-L250 HydrophobicContact CB-CB 4.12Å; I163-L250 HydrophobicContact CG1-CB 4.2Å; I163-L250 HydrophobicContact CG2-CB 3.91Å; I163-L250 HydrophobicContact CG2-CD1 4.32Å; L240-L250 HydrophobicContact CD1-CD2 3.82Å; L240-L250 HydrophobicContact CD1-CG 4.01Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.14Å; L250-L253 WeakPolarHBondContact O-CA 3.14Å; L250-L253 WeakPolarHBondContact O-CB 3.36Å; L250-L253 PolarHBondContact O-N 3.2Å; L250-A254 PolarHBondContact O-N 3.13Å
251R91.7Very high84.3Confident110 Ų11048.5 Ų48.542%0.41527%0.266SS..Hα-helixtrans-62.5-40.4179.4-179.1174-59.2-67.6-3.8111.8D161 I163 D249 L253 V255D161-R251 PolarHBondContact O-NH2 2.84Å; I163-R251 HydrophobicContact CD1-CB 4.12Å; I163-R251 HydrophobicContact CD1-CG 4.4Å; I163-R251 HydrophobicContact CG1-CB 3.98Å; D249-R251 VanDerWaalsContact C-N 3.25Å; D249-R251 PolarHBondContact O-N 2.88Å; D249-R251 WeakPolarHBondContact OD1-CB 3.5Å; D249-R251 PolarHBondContact OD1-N 3.32Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.4Å; R251-V255 PolarHBondContact O-N 2.99Å
252K90.7Very high84.6Confident82 Ų8251.8 Ų51.836%0.35728%0.279SS..Hα-helixtrans-69.5-33.7176-173.2177.1174.8-1750111.8N247 D249 L250 N256N247-K252 WeakPolarHBondContact O-CD 3.2Å; N247-K252 WeakPolarHBondContact O-CE 3.27Å; N247-K252 PolarHBondContact O-NZ 2.87Å; D249-K252 CarbonylContact O-C 3.57Å; D249-K252 WeakPolarHBondContact O-CA 3.45Å; D249-K252 WeakPolarHBondContact O-CB 3.46Å; D249-K252 PolarHBondContact O-N 2.93Å; D249-K252 PolarHBondContact OD1-N 2.9Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.14Å; K252-N256 WeakPolarHBondContact CG-ND2 3.47Å; K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 PolarHBondContact O-N 3.48Å; K252-N256 VanDerWaalsContact O-N 3.17Å; K252-N256 PolarHBondContact O-ND2 3.18Å
253L90.3Very high85Confident29 Ų2951.8 Ų51.815%0.15228%0.279CS..Hα-helixtrans-62.8-52.3173.5-176.860.9000109.8Y200 V236 D249 L250 R251 V255 N256 M257 I368Y200-L253 VanDerWaalsContact OH-CD2 3.24Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.39Å; V236-L253 HydrophobicContact CG1-CD2 4.45Å; D249-L253 PolarHBondContact O-N 2.78Å; L250-L253 WeakPolarHBondContact O-CA 3.14Å; L250-L253 WeakPolarHBondContact O-CB 3.36Å; L250-L253 PolarHBondContact O-N 3.2Å; R251-L253 VanDerWaalsContact C-N 3.33Å; L253-V255 PolarHBondContact O-N 3.03Å; L253-N256 PolarHBondContact O-N 2.54Å; L253-N256 VanDerWaalsContact O-N 3.1Å; L253-M257 HydrophobicContact CD1-CG 3.66Å; L253-M257 HydrophobicContact CG-CG 4.25Å; L253-M257 VanDerWaalsContact O-CB 3.3Å; L253-M257 WeakPolarHBondContact O-CB 3.37Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 3.27Å; L253-M257 PolarHBondContact O-N 3.49Å; L253-I368 HydrophobicContact CD1-CD1 4.45Å; L253-I368 HydrophobicContact CD2-CD1 4.35Å
254A92.6Very high85.9Confident12 Ų1250.3 Ų50.310%0.09927%0.269CS..Hα-helixtrans-50.6-54.4173.700000112.5I163 E198 L250 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.4Å; E198-A254 HydrophobicContact CG-CB 4.08Å; E198-A254 WeakPolarHBondContact OE1-CB 3.29Å; E198-A254 PolarHBondContact OE1-N 2.88Å; L250-A254 PolarHBondContact O-N 3.13Å; A254-N256 PolarHBondContact O-N 3.39Å; A254-N256 VanDerWaalsContact O-N 3.15Å; A254-M257 PolarHBondContact O-N 3.22Å; A254-V258 WeakPolarHBondContact O-CB 3.25Å; A254-V258 PolarHBondContact O-N 3.04Å
255V92.6Very high87.2Confident109 Ų10949.2 Ų49.266%0.66126%0.257SS*.Hα-helixtrans-59-31.4-179.8169.60000113.1R251 L253R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.4Å; R251-V255 PolarHBondContact O-N 2.99Å; L253-V255 PolarHBondContact O-N 3.03Å
256N91.6Very high88.9Confident58 Ų5842.5 Ų42.531%0.3123%0.226SC..Hα-helixtrans-85.9-21178.6-76-66.1000113.5K252 L253 A254 K350K252-N256 WeakPolarHBondContact CG-ND2 3.47Å; K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 PolarHBondContact O-N 3.48Å; K252-N256 VanDerWaalsContact O-N 3.17Å; K252-N256 PolarHBondContact O-ND2 3.18Å; L253-N256 PolarHBondContact O-N 2.54Å; L253-N256 VanDerWaalsContact O-N 3.1Å; A254-N256 PolarHBondContact O-N 3.39Å; A254-N256 VanDerWaalsContact O-N 3.15Å; N256-K350 HydrophobicContact CB-CG 4.35Å; N256-K350 WeakPolarHBondContact OD1-CE 3.23Å
257M94.2Very high90.7Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-108.8-24-170.2-67-58.6-62.100113.2L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.66Å; L253-M257 HydrophobicContact CG-CG 4.25Å; L253-M257 VanDerWaalsContact O-CB 3.3Å; L253-M257 WeakPolarHBondContact O-CB 3.37Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 3.27Å; L253-M257 PolarHBondContact O-N 3.49Å; A254-M257 PolarHBondContact O-N 3.22Å; M257-P259 WeakPolarHBondContact O-CD 3.4Å; M257-F266 HydrophobicContact CB-CE1 3.75Å; M257-F266 HydrophobicContact CB-CZ 3.64Å; M257-T312 VanDerWaalsContact CA-OG1 3.31Å; M257-T312 WeakPolarHBondContact CA-OG1 3.47Å; M257-T312 VanDerWaalsContact CE-OG1 3.32Å; M257-T312 WeakPolarHBondContact CE-OG1 3.33Å; M257-T312 PolarHBondContact O-OG1 3.44Å; M257-A314 HydrophobicContact CE-CB 4.05Å; M257-A314 HydrophobicContact SD-CB 3.58Å; M257-A314 VanDerWaalsContact SD-CB 3.58Å; M257-I368 HydrophobicContact CE-CB 4.23Å; M257-I368 HydrophobicContact CE-CG2 3.93Å; M257-I368 WeakPolarHBondContact CE-O 3.48Å; M257-N370 PolarHBondContact O-ND2 3.07Å
258V95.8Very high92.7Very high25 Ų2534 Ų3415%0.15218%0.181CC..  trans-113.896.5-174.4-174.60000108.6A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.25Å; A254-V258 PolarHBondContact O-N 3.04Å; V258-F260 WeakPolarHBondContact CG1-O 3.31Å; V258-H264 HydrophobicContact CG1-CB 3.97Å; V258-H264 HydrophobicContact CG2-CB 3.95Å; V258-F266 HydrophobicContact CG2-CE1 3.96Å; V258-F266 HydrophobicContact CG2-CZ 3.53Å
259P94.2Very high93.9Very high49 Ų4932.9 Ų32.932%0.31817%0.172SC..SBendtrans-70.8-37.3176.527.5-32.8000111.9M257 L311 I345M257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-L311 HydrophobicContact CG-CB 4.23Å; P259-L311 HydrophobicContact CG-CD1 4.07Å; P259-I345 HydrophobicContact CB-CD1 3.8Å; P259-I345 HydrophobicContact CG-CD1 3.81Å
260F95.4Very high94.5Very high22 Ų2232.6 Ų32.610%0.09617%0.169CC..SBendtrans-123134.5-179.2-60-70.6000109.8V258 R262 L263 W344 Y425 E440V258-F260 WeakPolarHBondContact CG1-O 3.31Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 2.85Å; F260-R262 VanDerWaalsContact O-N 3.11Å; F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CG 4.11Å; F260-L263 HydrophobicContact CD2-CD1 4.41Å; F260-L263 PolarHBondContact O-N 2.84Å; F260-W344 AromaticContact CE2-CH2 3.66Å; F260-W344 HydrophobicContact CE2-CH2 3.66Å; F260-W344 AromaticContact CE2-CZ3 3.82Å; F260-W344 HydrophobicContact CE2-CZ3 3.82Å; F260-W344 HydrophobicContact CZ-CH2 4.41Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; F260-Y425 HydrophobicContact CD1-CE1 4.26Å; F260-Y425 HydrophobicContact CD1-CE2 4.43Å; F260-Y425 AromaticContact CD1-CZ 3.79Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.37Å; F260-Y425 HydrophobicContact CD2-CD1 4.06Å; F260-Y425 HydrophobicContact CD2-CD2 4.07Å; F260-Y425 AromaticContact CD2-CE1 3.81Å; F260-Y425 HydrophobicContact CD2-CE1 3.81Å; F260-Y425 AromaticContact CD2-CE2 3.79Å; F260-Y425 HydrophobicContact CD2-CE2 3.79Å; F260-Y425 HydrophobicContact CD2-CG 4.19Å; F260-Y425 AromaticContact CD2-CZ 3.64Å; F260-Y425 AromaticContact CE1-CE1 3.74Å; F260-Y425 HydrophobicContact CE1-CE1 3.74Å; F260-Y425 AromaticContact CE1-CZ 3.71Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.23Å; F260-Y425 AromaticContact CE2-CD1 3.41Å; F260-Y425 HydrophobicContact CE2-CD1 3.41Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.41Å; F260-Y425 HydrophobicContact CE2-CD2 4.27Å; F260-Y425 AromaticContact CE2-CE1 3.2Å; F260-Y425 HydrophobicContact CE2-CE1 3.2Å; F260-Y425 HydrophobicContact CE2-CE2 4.08Å; F260-Y425 AromaticContact CE2-CG 3.96Å; F260-Y425 HydrophobicContact CE2-CG 3.96Å; F260-Y425 AromaticContact CE2-CZ 3.55Å; F260-Y425 HydrophobicContact CG-CE1 4.3Å; F260-Y425 AromaticContact CG-CE2 3.99Å; F260-Y425 HydrophobicContact CG-CE2 3.99Å; F260-Y425 AromaticContact CG-CZ 3.77Å; F260-Y425 AromaticContact CZ-CD1 3.81Å; F260-Y425 HydrophobicContact CZ-CD1 3.81Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 AromaticContact CZ-CZ 3.6Å; F260-E440 WeakPolarHBondContact CD1-OE1 3.14Å
261P94.4Very high94.8Very high94 Ų9432.6 Ų32.661%0.6117%0.17SC*.THydrogen-bonded Turntrans-51.8-40.6-172.4-29.735.4000114.1L263 H264P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 3.32Å; P261-H264 PolarHBondContact O-CD2 2.87Å
262R96.8Very high95Very high70 Ų7028 Ų2826%0.26415%0.154SC..THydrogen-bonded Turntrans-76.1-18.4-178.6-69.3173.257.997.5-4.1113.7V193 F260 H264 N414 L418 E421V193-R262 HydrophobicContact CG1-CG 4.25Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 2.85Å; F260-R262 VanDerWaalsContact O-N 3.11Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 3.3Å; R262-N414 PolarHBondContact NH1-OD1 2.98Å; R262-N414 PolarHBondContact NH2-OD1 3.31Å; R262-L418 HydrophobicContact CB-CD1 4.29Å; R262-L418 WeakPolarHBondContact O-CD1 3.42Å; R262-E421 WeakPolarHBondContact CB-OE2 3.41Å; R262-E421 WeakPolarHBondContact CD-OE2 3.36Å; R262-E421 IonicContact CZ-OE1 3.54Å; R262-E421 IonicContact NE-OE1 2.96Å; R262-E421 PolarHBondContact NE-OE1 3.19Å; R262-E421 IonicContact NE-OE2 3.51Å; R262-E421 PolarHBondContact NE-OE2 2.91Å; R262-E421 IonicContact NH2-OE1 3.5Å; R262-E421 PolarHBondContact NH2-OE1 3.48Å
263L97.4Very high95.1Very high0 Ų024.5 Ų24.50%014%0.139CC..  trans-9550.4-176.8-55.3-151.3000111.3F260 P261 L311 N370 L418 E421 Y422 Y425F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CG 4.11Å; F260-L263 HydrophobicContact CD2-CD1 4.41Å; F260-L263 PolarHBondContact O-N 2.84Å; P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 3.32Å; L263-L311 HydrophobicContact CB-CD1 4.21Å; L263-L311 HydrophobicContact CD1-CD1 3.66Å; L263-N370 PolarHBondContact O-ND2 2.63Å; L263-L418 HydrophobicContact CD2-CD1 4.01Å; L263-E421 HydrophobicContact CD2-CB 4.27Å; L263-Y422 WeakPolarHBondContact CA-OH 3.4Å; L263-Y422 HydrophobicContact CB-CE1 3.88Å; L263-Y422 HydrophobicContact CD1-CD1 3.59Å; L263-Y422 HydrophobicContact CD1-CE1 3.65Å; L263-Y422 HydrophobicContact CD1-CG 4.28Å; L263-Y422 HydrophobicContact CD2-CD1 4.01Å; L263-Y422 HydrophobicContact CD2-CD2 3.98Å; L263-Y422 HydrophobicContact CD2-CE1 3.85Å; L263-Y422 HydrophobicContact CD2-CE2 3.77Å; L263-Y422 HydrophobicContact CD2-CG 4.08Å; L263-Y422 HydrophobicContact CG-CD1 4.28Å; L263-Y422 HydrophobicContact CG-CE1 3.98Å; L263-Y425 HydrophobicContact CD1-CD2 3.62Å; L263-Y425 HydrophobicContact CD1-CE2 4.27Å; L263-Y425 HydrophobicContact CD1-CG 4.32Å; L263-Y425 HydrophobicContact CG-CD2 4.46Å
264H97.6Very high95Very high2 Ų223.8 Ų23.81%0.00914%0.136CC..  trans-9912.6-176.96256.3000114.7L192 V193 T196 D197 T199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 2.8Å; L192-H264 VanDerWaalsContact O-CE1 3.25Å; L192-H264 PolarHBondContact O-NE2 2.97Å; V193-H264 PolarHBondContact O-NE2 2.99Å; V193-H264 VanDerWaalsContact O-NE2 3.13Å; T196-H264 PolarHBondContact O-CD2 3.19Å; T196-H264 PolarHBondContact O-NE2 3.24Å; T196-H264 VanDerWaalsContact O-NE2 3.16Å; T196-H264 PolarHBondContact OG1-CE1 2.92Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.38Å; T199-H264 PolarHBondContact N-O 3.29Å; V258-H264 HydrophobicContact CG1-CB 3.97Å; V258-H264 HydrophobicContact CG2-CB 3.95Å; P261-H264 PolarHBondContact O-CD2 2.87Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 3.3Å
265F98.3Very high94.8Very high1 Ų123.9 Ų23.90%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-91117.2-178.5-63.2-94000111.2V189 L192 V193 T199 I374 F378 L418V189-F265 HydrophobicContact CG1-CZ 4.46Å; L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.26Å; V193-F265 HydrophobicContact CG2-CE2 3.82Å; V193-F265 HydrophobicContact CG2-CZ 3.71Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.42Å; T199-F265 WeakPolarHBondContact O-CA 3.33Å; F265-I374 HydrophobicContact CB-CG1 4.14Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.28Å; F265-F378 AromaticContact CD1-CZ 3.66Å; F265-F378 HydrophobicContact CD1-CZ 3.66Å; F265-F378 HydrophobicContact CD2-CE2 4.39Å; F265-F378 AromaticContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CE1 4.32Å; F265-F378 HydrophobicContact CE1-CZ 4.01Å; F265-F378 HydrophobicContact CE2-CZ 4.3Å; F265-F378 HydrophobicContact CG-CE2 4.31Å; F265-F378 AromaticContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; F265-L418 HydrophobicContact CD2-CD2 4.35Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.84Å; F265-L418 HydrophobicContact CZ-CD2 4.37Å
266F97.5Very high94.2Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-102.4144.5-176.3-54.5-45.6000112.4E198 T199 Y200 C201 M257 V258 P268 I368 N370E198-F266 HydrophobicContact CB-CD2 4.47Å; E198-F266 HydrophobicContact CB-CE2 3.75Å; E198-F266 HydrophobicContact CG-CE2 3.84Å; E198-F266 HydrophobicContact CG-CZ 4.4Å; T199-F266 PolarHBondContact O-N 3Å; Y200-F266 HydrophobicContact CD1-CB 4.15Å; Y200-F266 HydrophobicContact CD1-CD2 4.13Å; Y200-F266 HydrophobicContact CD2-CD2 4.35Å; Y200-F266 HydrophobicContact CE1-CB 4.42Å; Y200-F266 AromaticContact CE1-CD2 3.82Å; Y200-F266 HydrophobicContact CE1-CD2 3.82Å; Y200-F266 HydrophobicContact CE2-CD2 4.01Å; Y200-F266 HydrophobicContact CE2-CE2 4.39Å; Y200-F266 HydrophobicContact CG-CD2 4.39Å; Y200-F266 AromaticContact CZ-CD2 3.74Å; C201-F266 PolarHBondContact N-O 2.7Å; M257-F266 HydrophobicContact CB-CE1 3.75Å; M257-F266 HydrophobicContact CB-CZ 3.64Å; V258-F266 HydrophobicContact CG2-CE1 3.96Å; V258-F266 HydrophobicContact CG2-CZ 3.53Å; F266-P268 VanDerWaalsContact O-CD 3.28Å; F266-P268 WeakPolarHBondContact O-CD 3.44Å; F266-I368 HydrophobicContact CB-CG2 3.76Å; F266-I368 HydrophobicContact CD1-CG2 4.19Å; F266-I368 HydrophobicContact CD2-CG2 3.96Å; F266-I368 HydrophobicContact CG-CG2 3.7Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.96Å
267M96.4Very high93.6Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-96.3102.6166.3-59.8-175.9-50.900109.1A301 C303 P305 Y310 G369 I374M267-A301 HydrophobicContact CB-CB 4.25Å; M267-A301 HydrophobicContact CG-CB 3.94Å; M267-C303 HydrophobicContact SD-CB 3.78Å; M267-P305 HydrophobicContact CE-CB 4.48Å; M267-P305 HydrophobicContact CE-CG 4.11Å; M267-Y310 HydrophobicContact CE-CE1 3.91Å; M267-G369 PolarHBondContact N-O 3.17Å; M267-G369 PolarHBondContact O-N 3.22Å; M267-I374 HydrophobicContact CG-CD1 3.72Å; M267-I374 HydrophobicContact SD-CD1 4.49Å
268P96.8Very high93.1Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-81.1159.1177.529.7-27.4000112Y200 C201 I202 T232 F266 M300 F367Y200-P268 HydrophobicContact CD1-CB 4.33Å; C201-P268 WeakPolarHBondContact O-CD 3.37Å; I202-P268 HydrophobicContact CG1-CG 4.16Å; T232-P268 HydrophobicContact CG2-CB 3.56Å; T232-P268 HydrophobicContact CG2-CG 4.32Å; F266-P268 VanDerWaalsContact O-CD 3.28Å; F266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.26Å; P268-M300 PolarHBondContact O-N 3.32Å; P268-F367 CarbonylContact C-O 3.59Å; P268-F367 VanDerWaalsContact CA-O 3.27Å; P268-F367 WeakPolarHBondContact CA-O 3.34Å
269G95.5Very high92.2Very high3 Ų334 Ų343%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-149.9161.7172.300000111.5T366 F367G269-T366 WeakPolarHBondContact O-CA 3.45Å; G269-F367 PolarHBondContact N-O 3.12Å; G269-F367 PolarHBondContact O-N 3.19Å
270F96Very high91.4Very high17 Ų1739.9 Ų39.98%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-136.3139.6177.1-178.3-92.4000109.7A231 L273 M300 L361A231-F270 HydrophobicContact CB-CD2 4.08Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CG 4.4Å; A231-F270 HydrophobicContact CB-CZ 4.21Å; F270-L273 HydrophobicContact CD1-CD2 4.36Å; F270-L273 WeakPolarHBondContact O-CD1 3.32Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.27Å; F270-M300 HydrophobicContact CB-CE 3.79Å; F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 3.86Å
271A96Very high90.6Very high1 Ų148.2 Ų48.21%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-139.4147.1168.700000110L289 Q292 S364 V365A271-L289 HydrophobicContact CB-CD2 4.16Å; A271-Q292 HydrophobicContact CB-CB 3.75Å; A271-S364 CarbonylContact O-C 3.46Å; A271-S364 WeakPolarHBondContact O-CA 3.33Å; A271-S364 VanDerWaalsContact O-CB 3.25Å; A271-S364 WeakPolarHBondContact O-CB 3.25Å; A271-V365 HydrophobicContact CB-CG1 3.79Å; A271-V365 PolarHBondContact N-O 3.27Å; A271-V365 PolarHBondContact O-N 3.43Å
272P94.9Very high89.8Confident15 Ų1548.8 Ų48.810%0.09723%0.23CC..  cis-83.4142.310.133.4-35.7000114L284 L289 L361P272-L284 HydrophobicContact CB-CD2 3.54Å; P272-L284 HydrophobicContact CG-CD1 3.83Å; P272-L284 HydrophobicContact CG-CD2 3.77Å; P272-L284 HydrophobicContact CG-CG 4.47Å; P272-L289 HydrophobicContact CB-CD2 3.94Å; P272-L289 HydrophobicContact CG-CD2 4.3Å; P272-L361 HydrophobicContact CG-CD2 4.33Å
273L92.8Very high89.1Confident8 Ų849.8 Ų49.84%0.04225%0.248CC..  trans-106.290.9166.9-66.7169.1000108.3I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CD1-CD1 4.47Å; I210-L273 HydrophobicContact CG2-CD1 3.82Å; I210-L273 HydrophobicContact CG2-CD2 3.93Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; T214-L273 HydrophobicContact CG2-CB 3.72Å; L215-L273 HydrophobicContact CD2-CB 4.24Å; L215-L273 HydrophobicContact CD2-CD2 4.32Å; L228-L273 HydrophobicContact CD2-CD2 3.57Å; F270-L273 HydrophobicContact CD1-CD2 4.36Å; F270-L273 WeakPolarHBondContact O-CD1 3.32Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.27Å; L273-N298 HydrophobicContact CD1-CB 3.66Å
274T88.5Confident88.7Confident13 Ų1352 Ų528%0.0826%0.26CS..  trans-127.4127.5-177.7-61.40000110.4Q279 R282T274-Q279 HydrophobicContact CG2-CG 3.9Å; T274-Q279 PolarHBondContact O-NE2 3.43Å; T274-Q279 VanDerWaalsContact O-NE2 3.16Å; T274-R282 PolarHBondContact OG1-NH1 3.41Å
275S87.1Confident88.6Confident14 Ų1454.6 Ų54.610%0.09828%0.276CS..  trans-55.1145.3175.468.90000112.3L215 G277 S278 Q279L215-S275 VanDerWaalsContact O-CB 3.24Å; L215-S275 WeakPolarHBondContact O-CB 3.4Å; S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.18Å; S275-G277 VanDerWaalsContact O-N 3.13Å; S275-S278 PolarHBondContact O-N 2.97Å; S275-S278 PolarHBondContact OG-OG 3.21Å; S275-Q279 PolarHBondContact O-N 3.32Å; S275-Q279 VanDerWaalsContact O-N 3.17Å
276R80.8Confident88.4Confident193 Ų19354.7 Ų54.773%0.72828%0.276SS*.Hα-helixtrans-51.6-41.2-176.2-65.3-177-177.9178.33.3113.4S278R276-S278 VanDerWaalsContact C-N 3.29Å; R276-S278 PolarHBondContact O-N 3.17Å
277G79.6Confident88.3Confident58 Ų5856.8 Ų56.860%0.59829%0.29SS*.Hα-helixtrans-70.6-20.5179.400000114.7S275 Y281S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.18Å; S275-G277 VanDerWaalsContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.47Å; G277-Y281 WeakPolarHBondContact O-CE2 3.46Å
278S82.5Confident88.2Confident46 Ų4658.2 Ų58.232%0.32230%0.297SS..Hα-helixtrans-97.4-18.1-179.7-54.30000113.1S275 R276 Q280 Y281 R282S275-S278 PolarHBondContact O-N 2.97Å; S275-S278 PolarHBondContact OG-OG 3.21Å; R276-S278 VanDerWaalsContact C-N 3.29Å; R276-S278 PolarHBondContact O-N 3.17Å; S278-Q280 VanDerWaalsContact C-N 3.29Å; S278-Q280 PolarHBondContact O-N 3.13Å; S278-Y281 PolarHBondContact O-N 3.36Å; S278-Y281 VanDerWaalsContact O-N 3.1Å; S278-R282 PolarHBondContact O-N 3.12Å
279Q78.3Confident88.1Confident107 Ų10758.2 Ų58.250%0.530%0.297SS..Hα-helixtrans-57.4-38.1-175.7-77.1179.9-8.800113.2T274 S275 Y281T274-Q279 HydrophobicContact CG2-CG 3.9Å; T274-Q279 PolarHBondContact O-NE2 3.43Å; T274-Q279 VanDerWaalsContact O-NE2 3.16Å; S275-Q279 PolarHBondContact O-N 3.32Å; S275-Q279 VanDerWaalsContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-Y281 PolarHBondContact O-N 3.37Å
280Q77.6Confident88.1Confident174 Ų17458.1 Ų58.181%0.81330%0.296SS*.THydrogen-bonded Turntrans-70.2-20.8-179-65.7-178.80.200113.7S278S278-Q280 VanDerWaalsContact C-N 3.29Å; S278-Q280 PolarHBondContact O-N 3.13Å
281Y77.9Confident88Confident197 Ų19764.1 Ų64.177%0.77332%0.324SS*.THydrogen-bonded Turntrans-100.8-1.8-174.4-58.4-75.3000113.3G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.47Å; G277-Y281 WeakPolarHBondContact O-CE2 3.46Å; S278-Y281 PolarHBondContact O-N 3.36Å; S278-Y281 VanDerWaalsContact O-N 3.1Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-Y281 PolarHBondContact O-N 3.37Å
282R77.3Confident87.9Confident105 Ų10564.8 Ų64.840%0.39633%0.327SS..  trans-112126.5-171.7-156.7171.1-169.5-175.4-2.2111.2T274 S278 E288T274-R282 PolarHBondContact OG1-NH1 3.41Å; S278-R282 PolarHBondContact O-N 3.12Å; R282-E288 WeakPolarHBondContact CD-OE1 3.44Å; R282-E288 IonicContact CZ-OE1 3.63Å; R282-E288 IonicContact CZ-OE2 3.82Å; R282-E288 IonicContact NE-OE1 2.96Å; R282-E288 PolarHBondContact NE-OE1 3.05Å; R282-E288 IonicContact NE-OE2 3.16Å; R282-E288 PolarHBondContact NE-OE2 3.5Å; R282-E288 IonicContact NH1-OE1 2.66Å; R282-E288 IonicContact NH2-OE1 3.59Å; R282-E288 PolarHBondContact NH2-OE1 2.87Å; R282-E288 VanDerWaalsContact NH2-OE1 3.16Å; R282-E288 IonicContact NH2-OE2 2.93Å
283S82.5Confident87.8Confident91 Ų9164.3 Ų64.364%0.63632%0.323SS*.  trans-88.711116859.90000109.4
284L89.7Confident87.8Confident46 Ų4665.4 Ų65.424%0.24133%0.328CS..  trans-68.4134.1174.8-62172.1000110.1P272 L289 M363P272-L284 HydrophobicContact CB-CD2 3.54Å; P272-L284 HydrophobicContact CG-CD1 3.83Å; P272-L284 HydrophobicContact CG-CD2 3.77Å; P272-L284 HydrophobicContact CG-CG 4.47Å; L284-L289 HydrophobicContact CD2-CD2 4.49Å; L284-M363 HydrophobicContact CB-CG 3.74Å; L284-M363 HydrophobicContact CB-SD 3.88Å; L284-M363 HydrophobicContact CD1-CG 4.31Å
285T93.8Very high88Confident58 Ų5867.9 Ų67.936%0.35634%0.341SS..  trans-139.1159.6178.162.70000109.7E288 L289T285-E288 PolarHBondContact O-N 2.96Å; T285-E288 WeakPolarHBondContact OG1-CB 3.23Å; T285-E288 PolarHBondContact OG1-N 2.97Å; T285-L289 WeakPolarHBondContact O-CG 3.38Å; T285-L289 PolarHBondContact O-N 3.39Å
286V95.6Very high88.1Confident2 Ų268.5 Ų68.51%0.01235%0.347CS..Hα-helixtrans-56.9-48.7177.4177.70000111.8E288 L289 T290 F317 M321 E325 V326 Q329 M363V286-E288 VanDerWaalsContact C-N 3.28Å; V286-E288 PolarHBondContact O-N 3.11Å; V286-L289 PolarHBondContact O-N 2.91Å; V286-T290 PolarHBondContact O-N 2.82Å; V286-T290 PolarHBondContact O-OG1 2.94Å; V286-F317 HydrophobicContact CG1-CE1 4.08Å; V286-F317 HydrophobicContact CG1-CZ 4.46Å; V286-M321 HydrophobicContact CG2-CB 4.06Å; V286-M321 HydrophobicContact CG2-CG 4.37Å; V286-M321 HydrophobicContact CG2-SD 3.86Å; V286-E325 HydrophobicContact CB-CG 4.05Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.3Å; V286-V326 HydrophobicContact CG1-CB 4.39Å; V286-V326 HydrophobicContact CG1-CG2 3.82Å; V286-V326 HydrophobicContact CG2-CG2 4.14Å; V286-Q329 HydrophobicContact CG1-CB 4.18Å; V286-Q329 HydrophobicContact CG1-CG 4.04Å; V286-M363 HydrophobicContact CG2-CE 3.74Å
287P95.2Very high88.6Confident45 Ų4566.6 Ų66.629%0.29234%0.344SS..Hα-helixtrans-58.2-38.4177.6-22.431.7000113.4Q291 Q329P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 3.47Å; P287-Q329 HydrophobicContact CB-CG 4.27Å; P287-Q329 HydrophobicContact CG-CG 3.87Å
288E93.7Very high89.2Confident30 Ų3064.2 Ų64.214%0.1432%0.317CS..Hα-helixtrans-67.8-42.4179-167-165.8113.600112R282 T285 V286 Q291 Q292R282-E288 WeakPolarHBondContact CD-OE1 3.44Å; R282-E288 IonicContact CZ-OE1 3.63Å; R282-E288 IonicContact CZ-OE2 3.82Å; R282-E288 IonicContact NE-OE1 2.96Å; R282-E288 PolarHBondContact NE-OE1 3.05Å; R282-E288 IonicContact NE-OE2 3.16Å; R282-E288 PolarHBondContact NE-OE2 3.5Å; R282-E288 IonicContact NH1-OE1 2.66Å; R282-E288 IonicContact NH2-OE1 3.59Å; R282-E288 PolarHBondContact NH2-OE1 2.87Å; R282-E288 VanDerWaalsContact NH2-OE1 3.16Å; R282-E288 IonicContact NH2-OE2 2.93Å; T285-E288 PolarHBondContact O-N 2.96Å; T285-E288 WeakPolarHBondContact OG1-CB 3.23Å; T285-E288 PolarHBondContact OG1-N 2.97Å; V286-E288 VanDerWaalsContact C-N 3.28Å; V286-E288 PolarHBondContact O-N 3.11Å; E288-Q291 PolarHBondContact O-N 3.45Å; E288-Q292 WeakPolarHBondContact O-CG 3.25Å; E288-Q292 PolarHBondContact O-N 3.46Å; E288-Q292 PolarHBondContact OE1-NE2 2.96Å
289L96Very high89.7Confident0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-62.7-48.4175.1-71.6-169.5000111A271 P272 L284 T285 V286 Q291 Q292 M293 F317 M363 V365A271-L289 HydrophobicContact CB-CD2 4.16Å; P272-L289 HydrophobicContact CB-CD2 3.94Å; P272-L289 HydrophobicContact CG-CD2 4.3Å; L284-L289 HydrophobicContact CD2-CD2 4.49Å; T285-L289 WeakPolarHBondContact O-CG 3.38Å; T285-L289 PolarHBondContact O-N 3.39Å; V286-L289 PolarHBondContact O-N 2.91Å; L289-Q291 VanDerWaalsContact C-N 3.28Å; L289-Q291 PolarHBondContact O-N 3Å; L289-Q292 PolarHBondContact O-N 3.33Å; L289-M293 WeakPolarHBondContact O-CB 3.45Å; L289-M293 PolarHBondContact O-N 2.92Å; L289-F317 HydrophobicContact CB-CE1 4.22Å; L289-F317 HydrophobicContact CD1-CD1 4.35Å; L289-F317 HydrophobicContact CD1-CE1 4.43Å; L289-M363 HydrophobicContact CD1-CB 4.31Å; L289-M363 HydrophobicContact CD1-CE 3.75Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.45Å; L289-M363 HydrophobicContact CG-CE 4.48Å; L289-V365 HydrophobicContact CB-CG1 3.82Å; L289-V365 HydrophobicContact CD1-CB 4.37Å; L289-V365 HydrophobicContact CD1-CG1 4.36Å
290T95.5Very high90.5Very high1 Ų157 Ų571%0.00628%0.278CS..Hα-helixtrans-59.8-39.4178.4-52.40000111.4V286 M293 F294 M330 V333V286-T290 PolarHBondContact O-N 2.82Å; V286-T290 PolarHBondContact O-OG1 2.94Å; T290-M293 HydrophobicContact CG2-CE 4.45Å; T290-M293 WeakPolarHBondContact O-CB 3.33Å; T290-M293 PolarHBondContact O-N 3.3Å; T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 PolarHBondContact O-N 3Å; T290-M330 HydrophobicContact CG2-SD 3.72Å; T290-V333 HydrophobicContact CG2-CB 4.11Å; T290-V333 HydrophobicContact CG2-CG2 3.76Å
291Q93.7Very high91.2Very high142 Ų14248.8 Ų48.866%0.66424%0.241SC*.Hα-helixtrans-65.5-43.4176.2-173.8178.611.900112.5P287 E288 L289 M293 D295P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 3.47Å; E288-Q291 PolarHBondContact O-N 3.45Å; L289-Q291 VanDerWaalsContact C-N 3.28Å; L289-Q291 PolarHBondContact O-N 3Å; Q291-M293 VanDerWaalsContact C-N 3.26Å; Q291-M293 PolarHBondContact O-N 3.16Å; Q291-D295 PolarHBondContact O-N 3.13Å
292Q94Very high91.8Very high15 Ų1541.2 Ų41.27%0.0722%0.219CC..Hα-helixtrans-64.2-35.4176.9-76.7-17950.500111.8A271 E288 L289 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.75Å; E288-Q292 WeakPolarHBondContact O-CG 3.25Å; E288-Q292 PolarHBondContact O-N 3.46Å; E288-Q292 PolarHBondContact OE1-NE2 2.96Å; L289-Q292 PolarHBondContact O-N 3.33Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.28Å; Q292-D295 PolarHBondContact O-N 3.02Å; Q292-N298 WeakPolarHBondContact O-CB 3.33Å; Q292-N298 PolarHBondContact O-ND2 2.74Å
293M92.8Very high92.4Very high5 Ų536.6 Ų36.63%0.02520%0.202CC..Hα-helixtrans-60-36.5-178.2-161.5178.563.400113.2L289 T290 Q291 M299 A315 M330 V365 F367L289-M293 WeakPolarHBondContact O-CB 3.45Å; L289-M293 PolarHBondContact O-N 2.92Å; T290-M293 HydrophobicContact CG2-CE 4.45Å; T290-M293 WeakPolarHBondContact O-CB 3.33Å; T290-M293 PolarHBondContact O-N 3.3Å; Q291-M293 VanDerWaalsContact C-N 3.26Å; Q291-M293 PolarHBondContact O-N 3.16Å; M293-M299 WeakPolarHBondContact O-CE 3.45Å; M293-A315 HydrophobicContact CE-CB 3.71Å; M293-A315 HydrophobicContact SD-CB 3.57Å; M293-A315 VanDerWaalsContact SD-CB 3.57Å; M293-M330 HydrophobicContact CE-CE 3.8Å; M293-M330 HydrophobicContact CE-SD 3.59Å; M293-M330 VanDerWaalsContact CE-SD 3.59Å; M293-V365 HydrophobicContact CB-CG1 4.34Å; M293-V365 HydrophobicContact CG-CG1 4.33Å; M293-V365 HydrophobicContact SD-CG1 4.16Å; M293-V365 HydrophobicContact SD-CG2 3.52Å; M293-V365 VanDerWaalsContact SD-CG2 3.52Å; M293-F367 HydrophobicContact CE-CD2 3.91Å; M293-F367 HydrophobicContact CE-CE2 4.35Å; M293-F367 HydrophobicContact CG-CB 3.46Å; M293-F367 VanDerWaalsContact CG-CB 3.46Å; M293-F367 HydrophobicContact CG-CD2 3.41Å; M293-F367 VanDerWaalsContact CG-CD2 3.41Å; M293-F367 HydrophobicContact CG-CE2 4.36Å; M293-F367 HydrophobicContact CG-CG 3.71Å; M293-F367 HydrophobicContact SD-CB 4.07Å; M293-F367 HydrophobicContact SD-CD2 3.66Å; M293-F367 HydrophobicContact SD-CG 4.31Å
294F91.6Very high92.8Very high31 Ų3133.4 Ų33.414%0.13618%0.178CC..THydrogen-bonded Turntrans-98.38.5179.4-75.9-88.3000113.6T290 Q292 Y310 V313 M330 V333 F341 F367T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 PolarHBondContact O-N 3Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.28Å; F294-Y310 HydrophobicContact CD1-CE2 4.15Å; F294-Y310 HydrophobicContact CE1-CE2 4.14Å; F294-V313 HydrophobicContact CZ-CG1 4.17Å; F294-M330 HydrophobicContact CE2-CE 4.22Å; F294-M330 HydrophobicContact CE2-SD 4.49Å; F294-M330 HydrophobicContact CZ-CE 4.44Å; F294-V333 HydrophobicContact CB-CG1 4.48Å; F294-V333 HydrophobicContact CD1-CG1 4.24Å; F294-V333 HydrophobicContact CD2-CG1 3.35Å; F294-V333 HydrophobicContact CE1-CG1 4.28Å; F294-V333 HydrophobicContact CE2-CB 4.39Å; F294-V333 HydrophobicContact CE2-CG1 3.34Å; F294-V333 HydrophobicContact CG-CG1 3.79Å; F294-V333 HydrophobicContact CZ-CG1 3.85Å; F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.81Å; F294-F341 HydrophobicContact CE1-CZ 3.81Å; F294-F341 HydrophobicContact CZ-CZ 4.12Å; F294-F367 HydrophobicContact CD1-CE2 4.44Å; F294-F367 HydrophobicContact CE1-CE2 4.05Å; F294-F367 HydrophobicContact CE1-CZ 4.42Å; F294-F367 HydrophobicContact CZ-CE2 4.14Å
295D92Very high92.9Very high65 Ų6531.6 Ų31.635%0.34817%0.169SC..  trans-79.8119.5170.5-169.7-20000108.9Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.13Å; Q292-D295 PolarHBondContact O-N 3.02Å; D295-K297 PolarHBondContact O-N 3.25Å; D295-K297 WeakPolarHBondContact OD1-CB 3.29Å; D295-K297 WeakPolarHBondContact OD1-CG 3.05Å; D295-K297 PolarHBondContact OD1-N 2.66Å; D295-N298 WeakPolarHBondContact O-CB 3.25Å; D295-N298 PolarHBondContact O-N 3.16Å
296A90.5Very high92.7Very high27 Ų2736 Ų3622%0.22318%0.179CC..G310 helixtrans-52.2-29.517800000112.7N298 M299A296-N298 PolarHBondContact O-N 3.49Å; A296-M299 PolarHBondContact O-N 2.83Å
297K91.2Very high92.6Very high153 Ų15341.1 Ų41.167%0.66520%0.203SC*.G310 helixtrans-70.2-13.3178.6-62173.3-173.8169.80114.3I210 D295I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.24Å; D295-K297 PolarHBondContact O-N 3.25Å; D295-K297 WeakPolarHBondContact OD1-CB 3.29Å; D295-K297 WeakPolarHBondContact OD1-CG 3.05Å; D295-K297 PolarHBondContact OD1-N 2.66Å
298N91.4Very high92.5Very high8 Ų839.1 Ų39.14%0.04319%0.191CC..G310 helixtrans-105.1-3-178.5-65.9-18.8000112.5L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 3.66Å; Q292-N298 WeakPolarHBondContact O-CB 3.33Å; Q292-N298 PolarHBondContact O-ND2 2.74Å; D295-N298 WeakPolarHBondContact O-CB 3.25Å; D295-N298 PolarHBondContact O-N 3.16Å; A296-N298 PolarHBondContact O-N 3.49Å
299M93.4Very high92.6Very high2 Ų242.2 Ų42.21%0.0120%0.201CC..BIsolated β-bridgetrans-73.8140.9173.5-59.7-60.4176.300109.7M293 A296 A301 P305 Y310 F367M293-M299 WeakPolarHBondContact O-CE 3.45Å; A296-M299 PolarHBondContact O-N 2.83Å; M299-A301 VanDerWaalsContact C-N 3.28Å; M299-P305 HydrophobicContact CE-CG 4.41Å; M299-P305 HydrophobicContact CG-CG 4.41Å; M299-Y310 WeakPolarHBondContact CE-OH 3.49Å; M299-F367 HydrophobicContact CE-CD1 3.71Å; M299-F367 HydrophobicContact CE-CE1 3.37Å; M299-F367 HydrophobicContact CE-CG 4.48Å; M299-F367 HydrophobicContact CE-CZ 3.87Å; M299-F367 HydrophobicContact SD-CD1 3.44Å; M299-F367 WeakPolarHBondContact SD-CD1 3.27Å; M299-F367 HydrophobicContact SD-CE1 3.51Å; M299-F367 VanDerWaalsContact SD-CE1 3.51Å; M299-F367 HydrophobicContact SD-CG 4.47Å
300M94.8Very high92.7Very high0 Ų042.4 Ų42.40%020%0.202CC..SBendtrans-884.6179.2-61-173.7176.800112.8D203 L207 I210 L228 T232 P268 F270D203-M300 WeakPolarHBondContact CB-O 3.18Å; D203-M300 PolarHBondContact N-O 3.17Å; L207-M300 HydrophobicContact CD2-CB 4.15Å; L207-M300 HydrophobicContact CD2-CE 4.48Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.92Å; I210-M300 HydrophobicContact CD1-CG 4.25Å; L228-M300 HydrophobicContact CB-CE 3.92Å; T232-M300 HydrophobicContact CG2-SD 4.28Å; T232-M300 WeakPolarHBondContact OG1-CE 3.21Å; T232-M300 PolarHBondContact OG1-SD 3.3Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.26Å; P268-M300 PolarHBondContact O-N 3.32Å; F270-M300 HydrophobicContact CB-CE 3.79Å
301A92.9Very high92.7Very high2 Ų242.3 Ų42.32%0.01720%0.201CC..SBendtrans-113135.1168.400000108.5M267 M299 C303 I374 L377M267-A301 HydrophobicContact CB-CB 4.25Å; M267-A301 HydrophobicContact CG-CB 3.94Å; M299-A301 VanDerWaalsContact C-N 3.28Å; A301-C303 PolarHBondContact O-N 3.29Å; A301-I374 HydrophobicContact CB-CD1 4.27Å; A301-L377 HydrophobicContact CB-CD1 4.36Å
302A90.4Very high92.8Very high38 Ų3835.8 Ų35.831%0.31417%0.171SC..SBendtrans-78.964.4179.500000111.1D203 E205 A206D203-A302 WeakPolarHBondContact OD2-CB 3.43Å; D203-A302 PolarHBondContact OD2-N 2.71Å; E205-A302 HydrophobicContact CB-CB 4.4Å; A206-A302 HydrophobicContact CB-CB 4.24Å
303C90.4Very high92.9Very high8 Ų835.1 Ų35.15%0.05417%0.168CC..  trans-127.2143.3174.5-55.90000107.8M267 A301 P305 A373 E376M267-C303 HydrophobicContact SD-CB 3.78Å; A301-C303 PolarHBondContact O-N 3.29Å; C303-P305 WeakPolarHBondContact O-CD 3.31Å; C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.21Å; C303-E376 WeakPolarHBondContact CA-OE2 3.39Å; C303-E376 HydrophobicContact CB-CB 4.47Å
304D91Very high92.9Very high24 Ų2435.1 Ų35.113%0.12817%0.169CC..  trans-93.3111.2172.2-166-24.9000110.1R306 H307 A373 E376D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 2.93Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.5Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.06Å; D304-R306 IonicContact OD1-CZ 2.81Å; D304-R306 PolarHBondContact OD1-N 2.87Å; D304-R306 IonicContact OD1-NE 3.52Å; D304-R306 PolarHBondContact OD1-NE 3.42Å; D304-R306 IonicContact OD1-NH2 3.69Å; D304-R306 IonicContact OD2-CZ 3.04Å; D304-R306 IonicContact OD2-NE 3.93Å; D304-R306 PolarHBondContact OD2-NE 2.81Å; D304-R306 IonicContact OD2-NH2 3.17Å; D304-R306 PolarHBondContact OD2-NH2 3.15Å; D304-H307 PolarHBondContact O-N 3.12Å; D304-H307 IonicContact OD2-CE1 3Å; D304-H307 IonicContact OD2-NE2 3.89Å; D304-A373 WeakPolarHBondContact O-CB 3.44Å; D304-E376 PolarHBondContact N-OE2 2.75Å
305P90Very high93.1Very high7 Ų733.7 Ų33.75%0.04516%0.163CC..G310 helixtrans-59-18.1179.8-22.733.8000113.8M267 M299 C303 H307 G308 Y310M267-P305 HydrophobicContact CE-CB 4.48Å; M267-P305 HydrophobicContact CE-CG 4.11Å; M299-P305 HydrophobicContact CE-CG 4.41Å; M299-P305 HydrophobicContact CG-CG 4.41Å; C303-P305 WeakPolarHBondContact O-CD 3.31Å; P305-H307 PolarHBondContact O-N 2.92Å; P305-G308 CarbonylContact O-C 3.5Å; P305-G308 PolarHBondContact O-N 3Å; P305-G308 VanDerWaalsContact O-O 3.11Å; P305-Y310 HydrophobicContact CB-CE1 4.32Å; P305-Y310 HydrophobicContact CB-CE2 3.9Å; P305-Y310 WeakPolarHBondContact CB-OH 3.35Å; P305-Y310 VanDerWaalsContact CG-OH 3.27Å; P305-Y310 WeakPolarHBondContact CG-OH 3.37Å
306R90.2Very high93.2Very high151 Ų15131 Ų3157%0.5715%0.148SC*.G310 helixtrans-72.1-17.7176.3-58.3174.3-71.2177.4-0.8113.1D304 G308 Y340D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 2.93Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.5Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.06Å; D304-R306 IonicContact OD1-CZ 2.81Å; D304-R306 PolarHBondContact OD1-N 2.87Å; D304-R306 IonicContact OD1-NE 3.52Å; D304-R306 PolarHBondContact OD1-NE 3.42Å; D304-R306 IonicContact OD1-NH2 3.69Å; D304-R306 IonicContact OD2-CZ 3.04Å; D304-R306 IonicContact OD2-NE 3.93Å; D304-R306 PolarHBondContact OD2-NE 2.81Å; D304-R306 IonicContact OD2-NH2 3.17Å; D304-R306 PolarHBondContact OD2-NH2 3.15Å; R306-G308 VanDerWaalsContact C-N 3.32Å; R306-Y340 HydrophobicContact CB-CE1 4.21Å; R306-Y340 HydrophobicContact CG-CE1 4.28Å; R306-Y340 HydrophobicContact CG-CE2 4.09Å
307H93.2Very high93.4Very high109 Ų10929.8 Ų29.851%0.50514%0.138SC..G310 helixtrans-91.12.8175.8-58.6162.9000112.7D304 P305 E376 Q426D304-H307 PolarHBondContact O-N 3.12Å; D304-H307 IonicContact OD2-CE1 3Å; D304-H307 IonicContact OD2-NE2 3.89Å; P305-H307 PolarHBondContact O-N 2.92Å; H307-E376 WeakPolarHBondContact CB-OE1 3.45Å; H307-E376 IonicContact CE1-OE1 2.68Å; H307-E376 IonicContact CG-OE1 2.88Å; H307-E376 IonicContact ND1-OE1 3.64Å; H307-E376 PolarHBondContact ND1-OE1 3.46Å; H307-E376 IonicContact ND1-OE2 3.57Å; H307-Q426 PolarHBondContact O-OE1 2.97Å
308G94.6Very high93.5Very high4 Ų422.5 Ų22.54%0.04111%0.106CC..SBendtrans-143.5-159.7174.200000112.6P305 R306 T372 Q426P305-G308 CarbonylContact O-C 3.5Å; P305-G308 PolarHBondContact O-N 3Å; P305-G308 VanDerWaalsContact O-O 3.11Å; R306-G308 VanDerWaalsContact C-N 3.32Å; G308-T372 WeakPolarHBondContact CA-OG1 3.49Å; G308-Q426 VanDerWaalsContact CA-OE1 3.27Å
309R95.9Very high93.5Very high94 Ų9422.1 Ų22.136%0.35510%0.104SC..  trans-128.2139.9177.2-59.7-66.4-175.11280.8109.1L311 S339 Y340 F341 V342 S371 T372 Q426R309-L311 PolarHBondContact O-N 3.3Å; R309-S339 WeakPolarHBondContact CD-O 3.44Å; R309-S339 PolarHBondContact NE-O 3.36Å; R309-S339 VanDerWaalsContact NE-O 3.12Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 2.86Å; R309-Y340 CarbonylContact C-O 3.44Å; R309-Y340 WeakPolarHBondContact CA-O 3.39Å; R309-F341 PolarHBondContact NH1-O 3.5Å; R309-V342 HydrophobicContact CB-CG1 3.64Å; R309-V342 HydrophobicContact CG-CG1 4.39Å; R309-S371 CarbonylContact O-C 3.59Å; R309-S371 VanDerWaalsContact O-CA 3.22Å; R309-S371 WeakPolarHBondContact O-CA 3.34Å; R309-S371 PolarHBondContact O-OG 3.2Å; R309-T372 PolarHBondContact N-OG1 2.82Å; R309-T372 PolarHBondContact O-N 2.82Å; R309-T372 PolarHBondContact O-OG1 3.19Å; R309-Q426 HydrophobicContact CG-CG 4.09Å
310Y96.2Very high93.3Very high4 Ų432.9 Ų32.92%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-72120.4166.1-71.6-68.1000108.6M267 F294 M299 P305 V313 Y340 F341 V342 F367 N370M267-Y310 HydrophobicContact CE-CE1 3.91Å; F294-Y310 HydrophobicContact CD1-CE2 4.15Å; F294-Y310 HydrophobicContact CE1-CE2 4.14Å; M299-Y310 WeakPolarHBondContact CE-OH 3.49Å; P305-Y310 HydrophobicContact CB-CE1 4.32Å; P305-Y310 HydrophobicContact CB-CE2 3.9Å; P305-Y310 WeakPolarHBondContact CB-OH 3.35Å; P305-Y310 VanDerWaalsContact CG-OH 3.27Å; P305-Y310 WeakPolarHBondContact CG-OH 3.37Å; Y310-V313 HydrophobicContact CD1-CG2 3.61Å; Y310-V313 HydrophobicContact CD2-CG2 4.43Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.41Å; Y310-Y340 PolarHBondContact N-O 3.44Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CE2 4.21Å; Y310-F341 HydrophobicContact CD2-CZ 4.05Å; Y310-F341 HydrophobicContact CG-CD1 4.47Å; Y310-F341 HydrophobicContact CG-CE1 4.2Å; Y310-F341 HydrophobicContact CG-CZ 4.44Å; Y310-V342 PolarHBondContact O-N 3.34Å; Y310-F367 HydrophobicContact CD1-CZ 4.41Å; Y310-F367 HydrophobicContact CE1-CE1 4.05Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.83Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 3.21Å
311L96.7Very high93.1Very high0 Ų034.4 Ų34.40%015%0.152CC..EExtended strand (participates in β ladder)trans-72.2-53.4166.9-56.3-175.9000108.6P259 L263 R309 V342 W344 I345 N348 N370 T372P259-L311 HydrophobicContact CG-CB 4.23Å; P259-L311 HydrophobicContact CG-CD1 4.07Å; L263-L311 HydrophobicContact CB-CD1 4.21Å; L263-L311 HydrophobicContact CD1-CD1 3.66Å; R309-L311 PolarHBondContact O-N 3.3Å; L311-V342 HydrophobicContact CD2-CG1 3.73Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; L311-W344 HydrophobicContact CD2-CH2 3.83Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.34Å; L311-N348 WeakPolarHBondContact O-CB 3.43Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.23Å; L311-T372 HydrophobicContact CD2-CG2 3.83Å; L311-T372 HydrophobicContact CG-CG2 4.22Å
312T95.8Very high93Very high5 Ų537.2 Ų37.23%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-145.4155.4178.366.90000111M257 I345 N348 N370M257-T312 VanDerWaalsContact CA-OG1 3.31Å; M257-T312 WeakPolarHBondContact CA-OG1 3.47Å; M257-T312 VanDerWaalsContact CE-OG1 3.32Å; M257-T312 WeakPolarHBondContact CE-OG1 3.33Å; M257-T312 PolarHBondContact O-OG1 3.44Å; T312-I345 HydrophobicContact CG2-CD1 4.34Å; T312-N348 CarbonylContact C-O 3.51Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.32Å; T312-N370 PolarHBondContact N-O 3.34Å; T312-N370 PolarHBondContact O-N 3.12Å; T312-N370 VanDerWaalsContact OG1-CB 3.24Å; T312-N370 WeakPolarHBondContact OG1-CB 3.42Å
313V95.5Very high93Very high0 Ų038.7 Ų38.70%017%0.173CC..EExtended strand (participates in β ladder)trans-137.7135.8177.5165.40000109.4F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CZ-CG1 4.17Å; Y310-V313 HydrophobicContact CD1-CG2 3.61Å; Y310-V313 HydrophobicContact CD2-CG2 4.43Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; V313-F341 HydrophobicContact CB-CE1 4.25Å; V313-F341 HydrophobicContact CG2-CE1 3.71Å; V313-F341 HydrophobicContact CG2-CZ 4.13Å; V313-N348 PolarHBondContact N-O 2.81Å; V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.44Å; V313-V349 CarbonylContact O-C 3.52Å; V313-V349 WeakPolarHBondContact O-CA 3.43Å; V313-K350 PolarHBondContact O-N 3.17Å; V313-F367 HydrophobicContact CB-CE2 4.35Å; V313-F367 HydrophobicContact CG1-CD2 4.06Å; V313-F367 HydrophobicContact CG1-CE2 3.41Å; V313-F367 VanDerWaalsContact CG1-CE2 3.41Å; V313-F367 HydrophobicContact CG1-CZ 4.19Å; V313-F367 HydrophobicContact CG2-CE2 4.03Å; V313-F367 HydrophobicContact CG2-CZ 4Å; V313-I368 CarbonylContact C-O 3.54Å; V313-I368 WeakPolarHBondContact CA-O 3.4Å
314A94.3Very high93.2Very high5 Ų545 Ų454%0.04120%0.199CC..EExtended strand (participates in β ladder)trans-119.3137.5164.300000111.3M257 K350 I368M257-A314 HydrophobicContact CE-CB 4.05Å; M257-A314 HydrophobicContact SD-CB 3.58Å; M257-A314 VanDerWaalsContact SD-CB 3.58Å; A314-K350 CarbonylContact C-O 3.58Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.2Å; A314-K350 HydrophobicContact CB-CB 4.41Å; A314-I368 HydrophobicContact CB-CB 4.24Å; A314-I368 HydrophobicContact CB-CD1 4.39Å; A314-I368 PolarHBondContact N-O 2.99Å; A314-I368 PolarHBondContact O-N 3.38Å
315A94.8Very high93.4Very high1 Ų147.2 Ų47.21%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-123.9112.1176.200000109.8M293 F317 M330 K350 T351 A352 V365M293-A315 HydrophobicContact CE-CB 3.71Å; M293-A315 HydrophobicContact SD-CB 3.57Å; M293-A315 VanDerWaalsContact SD-CB 3.57Å; A315-F317 HydrophobicContact CB-CD2 4.29Å; A315-F317 HydrophobicContact CB-CE2 3.76Å; A315-M330 HydrophobicContact CB-CE 3.74Å; A315-M330 HydrophobicContact CB-SD 3.99Å; A315-K350 PolarHBondContact N-O 3.36Å; A315-T351 CarbonylContact O-C 3.47Å; A315-T351 WeakPolarHBondContact O-CA 3.42Å; A315-A352 PolarHBondContact O-N 3.24Å; A315-V365 HydrophobicContact CB-CG2 4.21Å
316I94.1Very high93.6Very high10 Ų1046.9 Ų46.95%0.05121%0.207CC..EExtended strand (participates in β ladder)trans-104.896.1-177.1-55.8171000108.5T238 A352 V365 T366 I368T238-I316 HydrophobicContact CG2-CG2 3.51Å; I316-A352 HydrophobicContact CG1-CB 4.41Å; I316-A352 HydrophobicContact CG2-CB 4.48Å; I316-V365 CarbonylContact O-C 3.58Å; I316-V365 WeakPolarHBondContact O-CA 3.49Å; I316-T366 PolarHBondContact N-O 2.88Å; I316-T366 PolarHBondContact O-N 3.11Å; I316-I368 HydrophobicContact CD1-CD1 3.96Å
317F94.6Very high93.8Very high0 Ų042.9 Ų42.90%020%0.197CC..EExtended strand (participates in β ladder)trans-79.6141.4176.5-71.9-94.6000111V286 L289 A315 M321 V326 M330 A352 V353 C354 S364 V365V286-F317 HydrophobicContact CG1-CE1 4.08Å; V286-F317 HydrophobicContact CG1-CZ 4.46Å; L289-F317 HydrophobicContact CB-CE1 4.22Å; L289-F317 HydrophobicContact CD1-CD1 4.35Å; L289-F317 HydrophobicContact CD1-CE1 4.43Å; A315-F317 HydrophobicContact CB-CD2 4.29Å; A315-F317 HydrophobicContact CB-CE2 3.76Å; F317-M321 HydrophobicContact CB-CE 4Å; F317-M321 HydrophobicContact CB-SD 3.66Å; F317-M321 HydrophobicContact CD1-CE 4.39Å; F317-M321 HydrophobicContact CD1-SD 3.63Å; F317-M321 HydrophobicContact CG-SD 3.95Å; F317-V326 HydrophobicContact CD1-CG2 4.25Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CD2-CG2 4.28Å; F317-V326 HydrophobicContact CE2-CG1 3.49Å; F317-V326 VanDerWaalsContact CE2-CG1 3.49Å; F317-V326 HydrophobicContact CG-CG1 4.23Å; F317-V326 HydrophobicContact CG-CG2 4.13Å; F317-V326 HydrophobicContact CZ-CG1 4.13Å; F317-M330 HydrophobicContact CE2-CG 4.31Å; F317-M330 HydrophobicContact CE2-SD 4.14Å; F317-M330 HydrophobicContact CZ-SD 4.28Å; F317-A352 PolarHBondContact N-O 2.84Å; F317-V353 HydrophobicContact CB-CG2 4.24Å; F317-V353 CarbonylContact O-C 3.59Å; F317-V353 WeakPolarHBondContact O-CA 3.37Å; F317-C354 PolarHBondContact O-N 2.71Å; F317-S364 WeakPolarHBondContact CA-O 3.4Å; F317-V365 HydrophobicContact CD1-CB 3.82Å; F317-V365 HydrophobicContact CD1-CG2 3.91Å; F317-V365 HydrophobicContact CD2-CG2 3.84Å; F317-V365 HydrophobicContact CE1-CB 3.86Å; F317-V365 HydrophobicContact CE1-CG1 4.43Å; F317-V365 HydrophobicContact CE1-CG2 3.85Å; F317-V365 HydrophobicContact CE2-CG2 3.77Å; F317-V365 HydrophobicContact CG-CB 4.22Å; F317-V365 HydrophobicContact CG-CG2 3.91Å; F317-V365 HydrophobicContact CZ-CB 4.29Å; F317-V365 HydrophobicContact CZ-CG2 3.77Å
318R92.9Very high93.9Very high1 Ų142.2 Ų42.20%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-130.6136.4179.6-61.6-177.863.3177.42.1110.4E27 S234 T238 M321 C354 I356 M363 S364E27-R318 IonicContact OE1-CZ 2.61Å; E27-R318 IonicContact OE1-NH1 3.33Å; E27-R318 PolarHBondContact OE1-NH1 3.03Å; E27-R318 IonicContact OE1-NH2 3.97Å; E27-R318 PolarHBondContact OE1-NH2 3.43Å; E27-R318 IonicContact OE2-CZ 3.75Å; E27-R318 IonicContact OE2-NH1 3.74Å; E27-R318 IonicContact OE2-NH2 3.98Å; E27-R318 PolarHBondContact OE2-NH2 3.39Å; S234-R318 PolarHBondContact OG-NH1 3.32Å; T238-R318 HydrophobicContact CG2-CG 3.95Å; T238-R318 PolarHBondContact OG1-NE 2.9Å; T238-R318 VanDerWaalsContact OG1-NE 3.16Å; T238-R318 PolarHBondContact OG1-NH2 2.84Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 3.42Å; R318-C354 CarbonylContact C-O 3.42Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.07Å; R318-C354 HydrophobicContact CG-CB 4.42Å; R318-I356 PolarHBondContact NE-O 3.02Å; R318-I356 PolarHBondContact NH2-O 3.32Å; R318-M363 CarbonylContact O-C 3.34Å; R318-M363 WeakPolarHBondContact O-CA 3.36Å; R318-M363 WeakPolarHBondContact O-CB 3.48Å; R318-S364 PolarHBondContact N-O 3.21Å; R318-S364 PolarHBondContact O-N 3.14Å
319G91.4Very high94Very high0 Ų044.1 Ų44.10%020%0.201CC..SBendtrans108.8165.7-175.600000113.2M321 C354G319-M321 VanDerWaalsContact O-CE 3.26Å; G319-M321 WeakPolarHBondContact O-CE 3.38Å; G319-M321 PolarHBondContact O-N 3.08Å; G319-M321 VanDerWaalsContact O-N 3.17Å; G319-C354 PolarHBondContact N-O 3.1Å
320R88.9Confident94Very high228 Ų22839.9 Ų39.986%0.8619%0.186SC*.SBendtrans-71.9108.7-178.9-64.8-175.5-178-1730.2110.7
321M91.8Very high93.9Very high32 Ų3244 Ų4416%0.15821%0.208CC..  trans-149.1166.6178.265.1-16683.500111.7V286 F317 R318 G319 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4.06Å; V286-M321 HydrophobicContact CG2-CG 4.37Å; V286-M321 HydrophobicContact CG2-SD 3.86Å; F317-M321 HydrophobicContact CB-CE 4Å; F317-M321 HydrophobicContact CB-SD 3.66Å; F317-M321 HydrophobicContact CD1-CE 4.39Å; F317-M321 HydrophobicContact CD1-SD 3.63Å; F317-M321 HydrophobicContact CG-SD 3.95Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 3.42Å; G319-M321 VanDerWaalsContact O-CE 3.26Å; G319-M321 WeakPolarHBondContact O-CE 3.38Å; G319-M321 PolarHBondContact O-N 3.08Å; G319-M321 VanDerWaalsContact O-N 3.17Å; M321-V326 HydrophobicContact CG-CG2 4.03Å; M321-V326 HydrophobicContact SD-CG2 3.81Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; M321-M363 HydrophobicContact CB-CE 4.49Å; M321-M363 HydrophobicContact CE-CB 3.84Å; M321-M363 HydrophobicContact CE-CE 3.86Å; M321-M363 HydrophobicContact SD-CE 3.95Å
322S91.4Very high93.8Very high60 Ų6048.1 Ų48.142%0.4223%0.23SC..  trans-80.6122.3177.7-175.80000110.6K324 E325 V326S322-K324 PolarHBondContact O-N 2.92Å; S322-K324 PolarHBondContact OG-N 3.26Å; S322-E325 WeakPolarHBondContact O-CB 3.33Å; S322-E325 PolarHBondContact O-N 2.7Å; S322-E325 VanDerWaalsContact O-N 3.12Å; S322-V326 PolarHBondContact O-N 2.84Å
323M89.9Confident93.6Very high69 Ų6948.9 Ų48.934%0.3423%0.234SC..Hα-helixtrans-58.7-38.4173.1-171.1-176-165.100111.7Q245 E325 V326 D327Q245-M323 PolarHBondContact OE1-SD 3.32Å; M323-E325 VanDerWaalsContact C-N 3.29Å; M323-E325 PolarHBondContact O-N 3.31Å; M323-V326 WeakPolarHBondContact O-CB 3.43Å; M323-V326 PolarHBondContact O-N 3.24Å; M323-V326 VanDerWaalsContact O-N 3.13Å; M323-D327 PolarHBondContact O-N 3.39Å
324K93.8Very high93.4Very high141 Ų14151.2 Ų51.261%0.61325%0.245SC*.Hα-helixtrans-57.9-43.3175.8179.9179.7170.9-179.70111.6S322 E328S322-K324 PolarHBondContact O-N 2.92Å; S322-K324 PolarHBondContact OG-N 3.26Å; K324-E328 WeakPolarHBondContact CE-OE1 2.99Å; K324-E328 IonicContact NZ-OE1 3.93Å; K324-E328 WeakPolarHBondContact O-CB 3.32Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.27Å; K324-E328 PolarHBondContact O-N 3.32Å
325E95.4Very high93.3Very high71 Ų7155.7 Ų55.733%0.33227%0.268SS..Hα-helixtrans-66-41.1177-173-177.9-172.600111.3V286 S322 M323 E328 Q329V286-E325 HydrophobicContact CB-CG 4.05Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.3Å; S322-E325 WeakPolarHBondContact O-CB 3.33Å; S322-E325 PolarHBondContact O-N 2.7Å; S322-E325 VanDerWaalsContact O-N 3.12Å; M323-E325 VanDerWaalsContact C-N 3.29Å; M323-E325 PolarHBondContact O-N 3.31Å; E325-E328 PolarHBondContact O-N 2.95Å; E325-Q329 WeakPolarHBondContact O-CB 3.21Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.4Å; E325-Q329 PolarHBondContact O-N 2.84Å
326V94.7Very high93.2Very high0 Ų063.6 Ų63.60%030%0.302CS..Hα-helixtrans-58.3-52.4174.8171.50000111V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353V286-V326 HydrophobicContact CG1-CB 4.39Å; V286-V326 HydrophobicContact CG1-CG2 3.82Å; V286-V326 HydrophobicContact CG2-CG2 4.14Å; F317-V326 HydrophobicContact CD1-CG2 4.25Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CD2-CG2 4.28Å; F317-V326 HydrophobicContact CE2-CG1 3.49Å; F317-V326 VanDerWaalsContact CE2-CG1 3.49Å; F317-V326 HydrophobicContact CG-CG1 4.23Å; F317-V326 HydrophobicContact CG-CG2 4.13Å; F317-V326 HydrophobicContact CZ-CG1 4.13Å; M321-V326 HydrophobicContact CG-CG2 4.03Å; M321-V326 HydrophobicContact SD-CG2 3.81Å; S322-V326 PolarHBondContact O-N 2.84Å; M323-V326 WeakPolarHBondContact O-CB 3.43Å; M323-V326 PolarHBondContact O-N 3.24Å; M323-V326 VanDerWaalsContact O-N 3.13Å; V326-E328 PolarHBondContact O-N 3.21Å; V326-Q329 PolarHBondContact O-N 2.78Å; V326-M330 HydrophobicContact CG1-CG 4.26Å; V326-M330 WeakPolarHBondContact O-CB 3.48Å; V326-M330 WeakPolarHBondContact O-CG 3.39Å; V326-M330 PolarHBondContact O-N 3.27Å; V326-T351 HydrophobicContact CG1-CG2 4.24Å; V326-V353 HydrophobicContact CG1-CG2 4.46Å; V326-V353 HydrophobicContact CG2-CG2 4.26Å
327D93.9Very high93Very high67 Ų6764.6 Ų64.636%0.35831%0.308SS..Hα-helixtrans-63.8-41.2-178-66.2-24.6000111.7M323 M330 L331 T351M323-D327 PolarHBondContact O-N 3.39Å; D327-M330 PolarHBondContact O-N 3.38Å; D327-L331 WeakPolarHBondContact O-CB 3.31Å; D327-L331 PolarHBondContact O-N 3.39Å; D327-T351 PolarHBondContact OD1-OG1 3.44Å
328E96.3Very high92.8Very high94 Ų9468.2 Ų68.244%0.43933%0.334SS..Hα-helixtrans-61.6-45.4174.7-76.4175.4-179.200111.9K324 E325 V326 N332K324-E328 WeakPolarHBondContact CE-OE1 2.99Å; K324-E328 IonicContact NZ-OE1 3.93Å; K324-E328 WeakPolarHBondContact O-CB 3.32Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.27Å; K324-E328 PolarHBondContact O-N 3.32Å; E325-E328 PolarHBondContact O-N 2.95Å; V326-E328 PolarHBondContact O-N 3.21Å; E328-N332 WeakPolarHBondContact O-CB 3.31Å; E328-N332 PolarHBondContact O-N 2.48Å; E328-N332 PolarHBondContact O-ND2 3.32Å; E328-N332 VanDerWaalsContact O-ND2 3.07Å
329Q96Very high92.7Very high44 Ų4471.2 Ų71.221%0.20636%0.355CS..Hα-helixtrans-68.9-36.7179.5-69.2-51.5-50.600112.7V286 P287 E325 V326 N332 V333V286-Q329 HydrophobicContact CG1-CB 4.18Å; V286-Q329 HydrophobicContact CG1-CG 4.04Å; P287-Q329 HydrophobicContact CB-CG 4.27Å; P287-Q329 HydrophobicContact CG-CG 3.87Å; E325-Q329 WeakPolarHBondContact O-CB 3.21Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.4Å; E325-Q329 PolarHBondContact O-N 2.84Å; V326-Q329 PolarHBondContact O-N 2.78Å; Q329-N332 PolarHBondContact O-N 3.49Å; Q329-V333 PolarHBondContact O-N 3.22Å
330M95Very high92.8Very high6 Ų674.8 Ų74.83%0.0337%0.369CS..Hα-helixtrans-67.6-43.8177.5-71.4-66-5500111.3T290 M293 F294 A315 F317 V326 D327 N332 V333 Q334 V349 T351T290-M330 HydrophobicContact CG2-SD 3.72Å; M293-M330 HydrophobicContact CE-CE 3.8Å; M293-M330 HydrophobicContact CE-SD 3.59Å; M293-M330 VanDerWaalsContact CE-SD 3.59Å; F294-M330 HydrophobicContact CE2-CE 4.22Å; F294-M330 HydrophobicContact CE2-SD 4.49Å; F294-M330 HydrophobicContact CZ-CE 4.44Å; A315-M330 HydrophobicContact CB-CE 3.74Å; A315-M330 HydrophobicContact CB-SD 3.99Å; F317-M330 HydrophobicContact CE2-CG 4.31Å; F317-M330 HydrophobicContact CE2-SD 4.14Å; F317-M330 HydrophobicContact CZ-SD 4.28Å; V326-M330 HydrophobicContact CG1-CG 4.26Å; V326-M330 WeakPolarHBondContact O-CB 3.48Å; V326-M330 WeakPolarHBondContact O-CG 3.39Å; V326-M330 PolarHBondContact O-N 3.27Å; D327-M330 PolarHBondContact O-N 3.38Å; M330-N332 VanDerWaalsContact C-N 3.35Å; M330-N332 PolarHBondContact O-N 2.99Å; M330-V333 PolarHBondContact O-N 3.44Å; M330-Q334 WeakPolarHBondContact O-CB 3.25Å; M330-Q334 PolarHBondContact O-N 2.98Å; M330-V349 HydrophobicContact CE-CG1 3.39Å; M330-T351 HydrophobicContact CB-CG2 3.93Å; M330-T351 HydrophobicContact CE-CG2 4.14Å; M330-T351 HydrophobicContact CG-CG2 3.55Å; M330-T351 HydrophobicContact SD-CG2 4.46Å
331L94Very high93Very high91 Ų9164.3 Ų64.348%0.47633%0.329SS..Hα-helixtrans-61.2-42.9173.2-178.262.9000111.7D327 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.31Å; D327-L331 PolarHBondContact O-N 3.39Å; L331-V333 PolarHBondContact O-N 3.25Å; L331-Q334 PolarHBondContact O-N 3.12Å; L331-N335 WeakPolarHBondContact O-CB 3.24Å; L331-N335 VanDerWaalsContact O-CG 3.26Å; L331-N335 PolarHBondContact O-N 2.83Å; L331-N335 PolarHBondContact O-ND2 2.87Å
332N95Very high93.1Very high85 Ų8563.3 Ų63.346%0.45533%0.325SS..Hα-helixtrans-61.2-43.3178-74.1-27.3000112.3E328 Q329 M330 K336E328-N332 WeakPolarHBondContact O-CB 3.31Å; E328-N332 PolarHBondContact O-N 2.48Å; E328-N332 PolarHBondContact O-ND2 3.32Å; E328-N332 VanDerWaalsContact O-ND2 3.07Å; Q329-N332 PolarHBondContact O-N 3.49Å; M330-N332 VanDerWaalsContact C-N 3.35Å; M330-N332 PolarHBondContact O-N 2.99Å; N332-K336 WeakPolarHBondContact O-CB 3.35Å; N332-K336 PolarHBondContact O-N 2.9Å
333V92.2Very high93Very high21 Ų2167 Ų6713%0.12734%0.336CS..Hα-helixtrans-70.1-40.1178.11600000111.9T290 F294 Q329 M330 L331 N335 K336 N337T290-V333 HydrophobicContact CG2-CB 4.11Å; T290-V333 HydrophobicContact CG2-CG2 3.76Å; F294-V333 HydrophobicContact CB-CG1 4.48Å; F294-V333 HydrophobicContact CD1-CG1 4.24Å; F294-V333 HydrophobicContact CD2-CG1 3.35Å; F294-V333 HydrophobicContact CE1-CG1 4.28Å; F294-V333 HydrophobicContact CE2-CB 4.39Å; F294-V333 HydrophobicContact CE2-CG1 3.34Å; F294-V333 HydrophobicContact CG-CG1 3.79Å; F294-V333 HydrophobicContact CZ-CG1 3.85Å; Q329-V333 PolarHBondContact O-N 3.22Å; M330-V333 PolarHBondContact O-N 3.44Å; L331-V333 PolarHBondContact O-N 3.25Å; V333-N335 PolarHBondContact O-N 3.39Å; V333-K336 PolarHBondContact O-N 2.89Å; V333-N337 VanDerWaalsContact O-CB 3.3Å; V333-N337 WeakPolarHBondContact O-CB 3.31Å; V333-N337 PolarHBondContact O-N 3.27Å
334Q91.2Very high93Very high50 Ų5064.4 Ų64.423%0.23432%0.322CS..Hα-helixtrans-59.3-46.5173.7-171.4-174.822.500111.2M330 L331 K336 N337 S338 F341 N348 V349M330-Q334 WeakPolarHBondContact O-CB 3.25Å; M330-Q334 PolarHBondContact O-N 2.98Å; L331-Q334 PolarHBondContact O-N 3.12Å; Q334-K336 PolarHBondContact O-N 3.32Å; Q334-N337 CarbonylContact O-C 3.57Å; Q334-N337 PolarHBondContact O-N 3.15Å; Q334-S338 VanDerWaalsContact O-CA 3.25Å; Q334-S338 WeakPolarHBondContact O-CA 3.45Å; Q334-S338 PolarHBondContact O-N 2.84Å; Q334-F341 HydrophobicContact CG-CD2 4.4Å; Q334-F341 HydrophobicContact CG-CE2 4.32Å; Q334-N348 PolarHBondContact NE2-OD1 2.93Å; Q334-V349 HydrophobicContact CG-CG2 4.18Å
335N91.8Very high92.8Very high98 Ų9859 Ų5952%0.52430%0.3SS..Hα-helixtrans-62.5-42.7177.6-74.4-29.7000112.5L331 V333 N337 S338L331-N335 WeakPolarHBondContact O-CB 3.24Å; L331-N335 VanDerWaalsContact O-CG 3.26Å; L331-N335 PolarHBondContact O-N 2.83Å; L331-N335 PolarHBondContact O-ND2 2.87Å; V333-N335 PolarHBondContact O-N 3.39Å; N335-N337 VanDerWaalsContact C-N 3.3Å; N335-N337 PolarHBondContact O-N 3.31Å; N335-S338 PolarHBondContact O-OG 3.27Å
336K92.2Very high92.4Very high167 Ų16760.2 Ų60.273%0.72631%0.314SS*.Hα-helixtrans-65.6-35.4178.7-179.5179.8174.3-174.50112.2N332 V333 Q334N332-K336 WeakPolarHBondContact O-CB 3.35Å; N332-K336 PolarHBondContact O-N 2.9Å; V333-K336 PolarHBondContact O-N 2.89Å; Q334-K336 PolarHBondContact O-N 3.32Å
337N90.3Very high92.1Very high31 Ų3166.4 Ų66.417%0.16635%0.347CS..THydrogen-bonded Turntrans-10823.8-175.8-64.8-22.7000112V333 Q334 N335 S339 Y340 F341V333-N337 VanDerWaalsContact O-CB 3.3Å; V333-N337 WeakPolarHBondContact O-CB 3.31Å; V333-N337 PolarHBondContact O-N 3.27Å; Q334-N337 CarbonylContact O-C 3.57Å; Q334-N337 PolarHBondContact O-N 3.15Å; N335-N337 VanDerWaalsContact C-N 3.3Å; N335-N337 PolarHBondContact O-N 3.31Å; N337-S339 PolarHBondContact O-N 3.48Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-Y340 HydrophobicContact CB-CD2 3.85Å; N337-Y340 WeakPolarHBondContact O-CA 3.38Å; N337-Y340 WeakPolarHBondContact O-CB 3.3Å; N337-Y340 PolarHBondContact O-N 3.24Å; N337-F341 HydrophobicContact CB-CE2 4.36Å; N337-F341 WeakPolarHBondContact O-CD2 3.42Å
338S90.4Very high91.9Very high77 Ų7763.7 Ų63.754%0.53833%0.332SS..G310 helixtrans-57-32.8-172.452.20000112.9Q334 N335 Y340 F341Q334-S338 VanDerWaalsContact O-CA 3.25Å; Q334-S338 WeakPolarHBondContact O-CA 3.45Å; Q334-S338 PolarHBondContact O-N 2.84Å; N335-S338 PolarHBondContact O-OG 3.27Å; S338-Y340 PolarHBondContact O-N 3.21Å; S338-Y340 VanDerWaalsContact O-N 3.16Å; S338-F341 PolarHBondContact O-N 3.4Å; S338-F341 VanDerWaalsContact O-N 3.09Å
339S91.2Very high91.8Very high64 Ų6460.5 Ų60.545%0.44832%0.319SS..G310 helixtrans-66.8-7.4173.264.40000115R309 N337R309-S339 WeakPolarHBondContact CD-O 3.44Å; R309-S339 PolarHBondContact NE-O 3.36Å; R309-S339 VanDerWaalsContact NE-O 3.12Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 2.86Å; N337-S339 PolarHBondContact O-N 3.48Å; N337-S339 VanDerWaalsContact O-N 3.11Å
340Y93.1Very high91.5Very high75 Ų7561.7 Ų61.729%0.29432%0.323SS..G310 helixtrans-1053.4174.4-55.3-35.3000111.8R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.21Å; R306-Y340 HydrophobicContact CG-CE1 4.28Å; R306-Y340 HydrophobicContact CG-CE2 4.09Å; R309-Y340 CarbonylContact C-O 3.44Å; R309-Y340 WeakPolarHBondContact CA-O 3.39Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.41Å; Y310-Y340 PolarHBondContact N-O 3.44Å; N337-Y340 HydrophobicContact CB-CD2 3.85Å; N337-Y340 WeakPolarHBondContact O-CA 3.38Å; N337-Y340 WeakPolarHBondContact O-CB 3.3Å; N337-Y340 PolarHBondContact O-N 3.24Å; S338-Y340 PolarHBondContact O-N 3.21Å; S338-Y340 VanDerWaalsContact O-N 3.16Å
341F94.3Very high91.4Very high8 Ų862.6 Ų62.64%0.03533%0.329CS..BIsolated β-bridgetrans-107.3152.3171.3-71.5-95.6000109.2F294 R309 Y310 V313 Q334 N337 S338 V349F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.81Å; F294-F341 HydrophobicContact CE1-CZ 3.81Å; F294-F341 HydrophobicContact CZ-CZ 4.12Å; R309-F341 PolarHBondContact NH1-O 3.5Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CE2 4.21Å; Y310-F341 HydrophobicContact CD2-CZ 4.05Å; Y310-F341 HydrophobicContact CG-CD1 4.47Å; Y310-F341 HydrophobicContact CG-CE1 4.2Å; Y310-F341 HydrophobicContact CG-CZ 4.44Å; V313-F341 HydrophobicContact CB-CE1 4.25Å; V313-F341 HydrophobicContact CG2-CE1 3.71Å; V313-F341 HydrophobicContact CG2-CZ 4.13Å; Q334-F341 HydrophobicContact CG-CD2 4.4Å; Q334-F341 HydrophobicContact CG-CE2 4.32Å; N337-F341 HydrophobicContact CB-CE2 4.36Å; N337-F341 WeakPolarHBondContact O-CD2 3.42Å; S338-F341 PolarHBondContact O-N 3.4Å; S338-F341 VanDerWaalsContact O-N 3.09Å; F341-V349 HydrophobicContact CD1-CG2 4.34Å; F341-V349 HydrophobicContact CE1-CG2 3.59Å; F341-V349 HydrophobicContact CZ-CG2 4.02Å
342V93.5Very high91.2Very high10 Ų1058.7 Ų58.76%0.06131%0.31CS..  trans-70.4143.6164.1-61.60000109.5R309 Y310 L311 W344 I345 N348R309-V342 HydrophobicContact CB-CG1 3.64Å; R309-V342 HydrophobicContact CG-CG1 4.39Å; Y310-V342 PolarHBondContact O-N 3.34Å; L311-V342 HydrophobicContact CD2-CG1 3.73Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; V342-W344 HydrophobicContact CB-CD2 4.09Å; V342-W344 HydrophobicContact CB-CG 4.34Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.71Å; V342-W344 HydrophobicContact CG2-CD2 4.15Å; V342-W344 HydrophobicContact CG2-CE3 4.45Å; V342-W344 HydrophobicContact CG2-CH2 4.37Å; V342-W344 HydrophobicContact CG2-CZ2 4.06Å; V342-I345 HydrophobicContact CG2-CB 3.95Å; V342-I345 HydrophobicContact CG2-CD1 3.96Å; V342-I345 HydrophobicContact CG2-CG1 3.72Å; V342-N348 PolarHBondContact O-ND2 3.46Å
343E89.7Confident91.1Very high139 Ų13955.2 Ų55.265%0.6529%0.292SS*.SBendtrans-87.4-20.2-178.559178.9-164.300113.2A430E343-A430 HydrophobicContact CG-CB 4.21Å; E343-A430 PolarHBondContact OE1-N 3.49Å
344W89.4Confident90.9Very high13 Ų1354.2 Ų54.25%0.04929%0.286CS..SBendtrans-85.2-25.9-172.846-103.2000113.6F260 L311 V342 P346 Y425 A428 A430 E433F260-W344 AromaticContact CE2-CH2 3.66Å; F260-W344 HydrophobicContact CE2-CH2 3.66Å; F260-W344 AromaticContact CE2-CZ3 3.82Å; F260-W344 HydrophobicContact CE2-CZ3 3.82Å; F260-W344 HydrophobicContact CZ-CH2 4.41Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; L311-W344 HydrophobicContact CD2-CH2 3.83Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; V342-W344 HydrophobicContact CB-CD2 4.09Å; V342-W344 HydrophobicContact CB-CG 4.34Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.71Å; V342-W344 HydrophobicContact CG2-CD2 4.15Å; V342-W344 HydrophobicContact CG2-CE3 4.45Å; V342-W344 HydrophobicContact CG2-CH2 4.37Å; V342-W344 HydrophobicContact CG2-CZ2 4.06Å; W344-P346 WeakPolarHBondContact O-CD 3.19Å; W344-Y425 HydrophobicContact CH2-CD1 4.24Å; W344-Y425 HydrophobicContact CZ2-CD1 4.31Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.3Å; W344-A428 PolarHBondContact NE1-O 3.03Å; W344-A430 HydrophobicContact CB-CB 4.46Å; W344-E433 HydrophobicContact CB-CG 4.47Å; W344-E433 HydrophobicContact CE3-CG 4.42Å
345I90.1Very high90.7Very high28 Ų2856.6 Ų56.614%0.14430%0.301CS..SBendtrans-84.2109.7170.1-53.7-176.4000110.9P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 3.8Å; P259-I345 HydrophobicContact CG-CD1 3.81Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.34Å; T312-I345 HydrophobicContact CG2-CD1 4.34Å; V342-I345 HydrophobicContact CG2-CB 3.95Å; V342-I345 HydrophobicContact CG2-CD1 3.96Å; V342-I345 HydrophobicContact CG2-CG1 3.72Å; I345-N348 HydrophobicContact CB-CB 4.12Å; I345-N348 HydrophobicContact CG2-CB 3.85Å
346P87.1Confident90.4Very high97 Ų9753.4 Ų53.463%0.6328%0.283SS*.THydrogen-bonded Turntrans-71.9147.6174.631.8-36000111.2W344 N348W344-P346 WeakPolarHBondContact O-CD 3.19Å; P346-N348 PolarHBondContact O-N 3.36Å
347N87Confident90.3Very high129 Ų12947.6 Ų47.669%0.6926%0.262SS*.THydrogen-bonded Turntrans5338.3175.1-54.7-59000114V349 K350N347-V349 PolarHBondContact O-N 3.42Å; N347-V349 VanDerWaalsContact O-N 3.13Å; N347-K350 PolarHBondContact O-NZ 2.85Å
348N90.7Very high90.2Very high11 Ų1146.8 Ų46.86%0.05926%0.259CS..  trans-69.91.5-17757.76.6000115.6L311 T312 V313 Q334 V342 I345 P346L311-N348 WeakPolarHBondContact O-CB 3.43Å; T312-N348 CarbonylContact C-O 3.51Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.32Å; V313-N348 PolarHBondContact N-O 2.81Å; Q334-N348 PolarHBondContact NE2-OD1 2.93Å; V342-N348 PolarHBondContact O-ND2 3.46Å; I345-N348 HydrophobicContact CB-CB 4.12Å; I345-N348 HydrophobicContact CG2-CB 3.85Å; P346-N348 PolarHBondContact O-N 3.36Å
349V92.7Very high89.9Confident27 Ų2751.3 Ų51.316%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-114.1125.3175.1-179.60000109.6V313 M330 Q334 F341 N347V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.44Å; V313-V349 CarbonylContact O-C 3.52Å; V313-V349 WeakPolarHBondContact O-CA 3.43Å; M330-V349 HydrophobicContact CE-CG1 3.39Å; Q334-V349 HydrophobicContact CG-CG2 4.18Å; F341-V349 HydrophobicContact CD1-CG2 4.34Å; F341-V349 HydrophobicContact CE1-CG2 3.59Å; F341-V349 HydrophobicContact CZ-CG2 4.02Å; N347-V349 PolarHBondContact O-N 3.42Å; N347-V349 VanDerWaalsContact O-N 3.13Å
350K91.4Very high89.6Confident68 Ų6852.2 Ų52.230%0.29628%0.283SS..EExtended strand (participates in β ladder)trans-114.1136.6174.4-56.9-55.2-177.3-150.40110.6N256 V313 A314 A315 N347N256-K350 HydrophobicContact CB-CG 4.35Å; N256-K350 WeakPolarHBondContact OD1-CE 3.23Å; V313-K350 PolarHBondContact O-N 3.17Å; A314-K350 CarbonylContact C-O 3.58Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.2Å; A314-K350 HydrophobicContact CB-CB 4.41Å; A315-K350 PolarHBondContact N-O 3.36Å; N347-K350 PolarHBondContact O-NZ 2.85Å
351T92.3Very high89.4Confident25 Ų2551 Ų5115%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-118141176.555.10000109L246 A315 V326 D327 M330L246-T351 WeakPolarHBondContact CD1-O 3.19Å; A315-T351 CarbonylContact O-C 3.47Å; A315-T351 WeakPolarHBondContact O-CA 3.42Å; V326-T351 HydrophobicContact CG1-CG2 4.24Å; D327-T351 PolarHBondContact OD1-OG1 3.44Å; M330-T351 HydrophobicContact CB-CG2 3.93Å; M330-T351 HydrophobicContact CE-CG2 4.14Å; M330-T351 HydrophobicContact CG-CG2 3.55Å; M330-T351 HydrophobicContact SD-CG2 4.46Å
352A90.6Very high89.2Confident9 Ų959.2 Ų59.27%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-134.5145.717100000109.5L246 A315 I316 F317L246-A352 HydrophobicContact CD1-CB 3.94Å; A315-A352 PolarHBondContact O-N 3.24Å; I316-A352 HydrophobicContact CG1-CB 4.41Å; I316-A352 HydrophobicContact CG2-CB 4.48Å; F317-A352 PolarHBondContact N-O 2.84Å
353V91.1Very high89.2Confident12 Ų1259.7 Ų59.77%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-127.7128.1176.7-1740000109F317 M321 V326F317-V353 HydrophobicContact CB-CG2 4.24Å; F317-V353 CarbonylContact O-C 3.59Å; F317-V353 WeakPolarHBondContact O-CA 3.37Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; V326-V353 HydrophobicContact CG1-CG2 4.46Å; V326-V353 HydrophobicContact CG2-CG2 4.26Å
354C89.4Confident89.5Confident0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-117.6127.6171.2177.20000108.7T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.9Å; F317-C354 PolarHBondContact O-N 2.71Å; R318-C354 CarbonylContact C-O 3.42Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.07Å; R318-C354 HydrophobicContact CG-CB 4.42Å; G319-C354 PolarHBondContact N-O 3.1Å; C354-I356 PolarHBondContact O-N 2.91Å; C354-I356 VanDerWaalsContact O-N 3.11Å
355D86.6Confident89.8Confident101 Ų10152.4 Ų52.454%0.5429%0.286SS..SBendtrans-70.7-9-176.2-74-30.4000113.8P357D355-P357 VanDerWaalsContact O-CD 3.27Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å
356I86Confident90.1Very high30 Ų3051.1 Ų51.115%0.15428%0.279CS..  trans-93.7104.9-179-61172000109.7L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.88Å; L42-I356 HydrophobicContact CD1-CD1 4.37Å; F242-I356 HydrophobicContact CB-CD1 4Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CB 4.44Å; F242-I356 HydrophobicContact CD2-CD1 4.19Å; F242-I356 HydrophobicContact CD2-CG2 4.48Å; F242-I356 HydrophobicContact CE1-CD1 3.78Å; F242-I356 HydrophobicContact CE2-CG2 4.19Å; F242-I356 HydrophobicContact CG-CD1 3.56Å; F242-I356 HydrophobicContact CZ-CD1 4.37Å; F242-I356 HydrophobicContact CZ-CG2 4.34Å; R318-I356 PolarHBondContact NE-O 3.02Å; R318-I356 PolarHBondContact NH2-O 3.32Å; C354-I356 PolarHBondContact O-N 2.91Å; C354-I356 VanDerWaalsContact O-N 3.11Å
357P88.7Confident90.5Very high45 Ų4546.5 Ų46.529%0.29225%0.249SC..PPolyproline II helixtrans-72.4157.8175.133.4-34.5000110.9D355 L361D355-P357 VanDerWaalsContact O-CD 3.27Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-L361 WeakPolarHBondContact CB-O 3.41Å
358P88.6Confident90.9Very high15 Ų1540.3 Ų40.310%0.09722%0.216CC..PPolyproline II helixtrans-59.8147.7166.4-16.629000110.6G360 L361 S364P358-G360 PolarHBondContact O-N 3.09Å; P358-L361 HydrophobicContact CB-CD1 4.33Å; P358-L361 HydrophobicContact CG-CD1 4.34Å; P358-L361 PolarHBondContact O-N 2.96Å; P358-L361 VanDerWaalsContact O-N 3.07Å; P358-S364 WeakPolarHBondContact CD-OG 3.48Å; P358-S364 WeakPolarHBondContact CG-OG 3.48Å
359R83.7Confident91.1Very high172 Ų17239.8 Ų39.865%0.64921%0.213SC*.THydrogen-bonded Turntrans-61.5137.4-178.6-156.1175-170.4148.7-18.6111.2D26 L361D26-R359 PolarHBondContact O-NH1 3.29Å; D26-R359 WeakPolarHBondContact OD1-CD 3.26Å; D26-R359 IonicContact OD1-CZ 2.76Å; D26-R359 IonicContact OD1-NE 2.6Å; D26-R359 IonicContact OD1-NH1 3.64Å; D26-R359 PolarHBondContact OD1-NH1 3.2Å; D26-R359 WeakPolarHBondContact OD2-CB 3.44Å; D26-R359 WeakPolarHBondContact OD2-CD 3.24Å; D26-R359 IonicContact OD2-NE 3.17Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.05Å
360G84.8Confident91.3Very high82 Ų8238.5 Ų38.585%0.84521%0.206SC*.THydrogen-bonded Turntrans82.7-6.6-176.100000114.7P358P358-G360 PolarHBondContact O-N 3.09Å
361L89.2Confident91.6Very high50 Ų5035.3 Ų35.326%0.26219%0.191SC..  trans-115.2151.6174.4-61.2178000110.7F270 P272 P357 P358 R359F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 3.86Å; P272-L361 HydrophobicContact CG-CD2 4.33Å; P357-L361 WeakPolarHBondContact CB-O 3.41Å; P358-L361 HydrophobicContact CB-CD1 4.33Å; P358-L361 HydrophobicContact CG-CD1 4.34Å; P358-L361 PolarHBondContact O-N 2.96Å; P358-L361 VanDerWaalsContact O-N 3.07Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.05Å
362K90.3Very high91.8Very high181 Ų18134.1 Ų34.179%0.78718%0.184SC*.SBendtrans-86.4-32.1172.1-68-175.5179.2179.80112.1
363M94Very high92.1Very high19 Ų1933.7 Ų33.79%0.09418%0.181CC..  trans-157.9153.7177.859.1-169.2-51.700110.1L284 V286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.74Å; L284-M363 HydrophobicContact CB-SD 3.88Å; L284-M363 HydrophobicContact CD1-CG 4.31Å; V286-M363 HydrophobicContact CG2-CE 3.74Å; L289-M363 HydrophobicContact CD1-CB 4.31Å; L289-M363 HydrophobicContact CD1-CE 3.75Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.45Å; L289-M363 HydrophobicContact CG-CE 4.48Å; R318-M363 CarbonylContact O-C 3.34Å; R318-M363 WeakPolarHBondContact O-CA 3.36Å; R318-M363 WeakPolarHBondContact O-CB 3.48Å; M321-M363 HydrophobicContact CB-CE 4.49Å; M321-M363 HydrophobicContact CE-CB 3.84Å; M321-M363 HydrophobicContact CE-CE 3.86Å; M321-M363 HydrophobicContact SD-CE 3.95Å
364S95.4Very high92.4Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-150.4170173.770.40000110.2A271 F317 R318 P358A271-S364 CarbonylContact O-C 3.46Å; A271-S364 WeakPolarHBondContact O-CA 3.33Å; A271-S364 VanDerWaalsContact O-CB 3.25Å; A271-S364 WeakPolarHBondContact O-CB 3.25Å; F317-S364 WeakPolarHBondContact CA-O 3.4Å; R318-S364 PolarHBondContact N-O 3.21Å; R318-S364 PolarHBondContact O-N 3.14Å; P358-S364 WeakPolarHBondContact CD-OG 3.48Å; P358-S364 WeakPolarHBondContact CG-OG 3.48Å
365V95.9Very high92.7Very high0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-138.8139168.764.80000109.5A271 L289 M293 A315 I316 F317A271-V365 HydrophobicContact CB-CG1 3.79Å; A271-V365 PolarHBondContact N-O 3.27Å; A271-V365 PolarHBondContact O-N 3.43Å; L289-V365 HydrophobicContact CB-CG1 3.82Å; L289-V365 HydrophobicContact CD1-CB 4.37Å; L289-V365 HydrophobicContact CD1-CG1 4.36Å; M293-V365 HydrophobicContact CB-CG1 4.34Å; M293-V365 HydrophobicContact CG-CG1 4.33Å; M293-V365 HydrophobicContact SD-CG1 4.16Å; M293-V365 HydrophobicContact SD-CG2 3.52Å; M293-V365 VanDerWaalsContact SD-CG2 3.52Å; A315-V365 HydrophobicContact CB-CG2 4.21Å; I316-V365 CarbonylContact O-C 3.58Å; I316-V365 WeakPolarHBondContact O-CA 3.49Å; F317-V365 HydrophobicContact CD1-CB 3.82Å; F317-V365 HydrophobicContact CD1-CG2 3.91Å; F317-V365 HydrophobicContact CD2-CG2 3.84Å; F317-V365 HydrophobicContact CE1-CB 3.86Å; F317-V365 HydrophobicContact CE1-CG1 4.43Å; F317-V365 HydrophobicContact CE1-CG2 3.85Å; F317-V365 HydrophobicContact CE2-CG2 3.77Å; F317-V365 HydrophobicContact CG-CB 4.22Å; F317-V365 HydrophobicContact CG-CG2 3.91Å; F317-V365 HydrophobicContact CZ-CB 4.29Å; F317-V365 HydrophobicContact CZ-CG2 3.77Å
366T95.7Very high93.1Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-107.4128.8169.4-64.40000108.9T232 G235 V236 G269 I316T232-T366 HydrophobicContact CG2-CG2 4.33Å; G235-T366 WeakPolarHBondContact CA-OG1 3.46Å; V236-T366 HydrophobicContact CG2-CG2 3.92Å; G269-T366 WeakPolarHBondContact O-CA 3.45Å; I316-T366 PolarHBondContact N-O 2.88Å; I316-T366 PolarHBondContact O-N 3.11Å
367F96Very high93.5Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-97.9140.7177.8-175.3-110.4000110.3P268 G269 M293 F294 M299 Y310 V313P268-F367 CarbonylContact C-O 3.59Å; P268-F367 VanDerWaalsContact CA-O 3.27Å; P268-F367 WeakPolarHBondContact CA-O 3.34Å; G269-F367 PolarHBondContact N-O 3.12Å; G269-F367 PolarHBondContact O-N 3.19Å; M293-F367 HydrophobicContact CE-CD2 3.91Å; M293-F367 HydrophobicContact CE-CE2 4.35Å; M293-F367 HydrophobicContact CG-CB 3.46Å; M293-F367 VanDerWaalsContact CG-CB 3.46Å; M293-F367 HydrophobicContact CG-CD2 3.41Å; M293-F367 VanDerWaalsContact CG-CD2 3.41Å; M293-F367 HydrophobicContact CG-CE2 4.36Å; M293-F367 HydrophobicContact CG-CG 3.71Å; M293-F367 HydrophobicContact SD-CB 4.07Å; M293-F367 HydrophobicContact SD-CD2 3.66Å; M293-F367 HydrophobicContact SD-CG 4.31Å; F294-F367 HydrophobicContact CD1-CE2 4.44Å; F294-F367 HydrophobicContact CE1-CE2 4.05Å; F294-F367 HydrophobicContact CE1-CZ 4.42Å; F294-F367 HydrophobicContact CZ-CE2 4.14Å; M299-F367 HydrophobicContact CE-CD1 3.71Å; M299-F367 HydrophobicContact CE-CE1 3.37Å; M299-F367 HydrophobicContact CE-CG 4.48Å; M299-F367 HydrophobicContact CE-CZ 3.87Å; M299-F367 HydrophobicContact SD-CD1 3.44Å; M299-F367 WeakPolarHBondContact SD-CD1 3.27Å; M299-F367 HydrophobicContact SD-CE1 3.51Å; M299-F367 VanDerWaalsContact SD-CE1 3.51Å; M299-F367 HydrophobicContact SD-CG 4.47Å; Y310-F367 HydrophobicContact CD1-CZ 4.41Å; Y310-F367 HydrophobicContact CE1-CE1 4.05Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.83Å; V313-F367 HydrophobicContact CB-CE2 4.35Å; V313-F367 HydrophobicContact CG1-CD2 4.06Å; V313-F367 HydrophobicContact CG1-CE2 3.41Å; V313-F367 VanDerWaalsContact CG1-CE2 3.41Å; V313-F367 HydrophobicContact CG1-CZ 4.19Å; V313-F367 HydrophobicContact CG2-CE2 4.03Å; V313-F367 HydrophobicContact CG2-CZ 4Å
368I95.7Very high93.9Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-133.4109.1168.6-49.2171000105.8Y200 V236 L253 M257 F266 V313 A314 I316Y200-I368 HydrophobicContact CD1-CG2 4.43Å; Y200-I368 HydrophobicContact CE1-CB 4.49Å; Y200-I368 HydrophobicContact CE1-CD1 3.94Å; Y200-I368 HydrophobicContact CE1-CG1 4.01Å; Y200-I368 HydrophobicContact CE1-CG2 3.72Å; V236-I368 HydrophobicContact CG1-CD1 4.26Å; V236-I368 HydrophobicContact CG2-CD1 4.03Å; V236-I368 HydrophobicContact CG2-CG1 4.21Å; L253-I368 HydrophobicContact CD1-CD1 4.45Å; L253-I368 HydrophobicContact CD2-CD1 4.35Å; M257-I368 HydrophobicContact CE-CB 4.23Å; M257-I368 HydrophobicContact CE-CG2 3.93Å; M257-I368 WeakPolarHBondContact CE-O 3.48Å; F266-I368 HydrophobicContact CB-CG2 3.76Å; F266-I368 HydrophobicContact CD1-CG2 4.19Å; F266-I368 HydrophobicContact CD2-CG2 3.96Å; F266-I368 HydrophobicContact CG-CG2 3.7Å; V313-I368 CarbonylContact C-O 3.54Å; V313-I368 WeakPolarHBondContact CA-O 3.4Å; A314-I368 HydrophobicContact CB-CB 4.24Å; A314-I368 HydrophobicContact CB-CD1 4.39Å; A314-I368 PolarHBondContact N-O 2.99Å; A314-I368 PolarHBondContact O-N 3.38Å; I316-I368 HydrophobicContact CD1-CD1 3.96Å
369G95.6Very high94.2Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-109.8120.3176.400000110.8M267M267-G369 PolarHBondContact N-O 3.17Å; M267-G369 PolarHBondContact O-N 3.22Å
370N96.9Very high94.7Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-87.4111.9161.3-168.6-14.4000107.6M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 3.07Å; L263-N370 PolarHBondContact O-ND2 2.63Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.96Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 3.21Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.23Å; T312-N370 PolarHBondContact N-O 3.34Å; T312-N370 PolarHBondContact O-N 3.12Å; T312-N370 VanDerWaalsContact OG1-CB 3.24Å; T312-N370 WeakPolarHBondContact OG1-CB 3.42Å
371S96.8Very high95.1Very high0 Ų021.7 Ų21.70%010%0.098CC..EExtended strand (participates in β ladder)trans-140.3140.4-173.9-171.90000111.4R309 A373 I374R309-S371 CarbonylContact O-C 3.59Å; R309-S371 VanDerWaalsContact O-CA 3.22Å; R309-S371 WeakPolarHBondContact O-CA 3.34Å; R309-S371 PolarHBondContact O-OG 3.2Å; S371-A373 PolarHBondContact O-N 3.27Å; S371-A373 VanDerWaalsContact O-N 3.1Å; S371-A373 PolarHBondContact OG-N 3.46Å; S371-I374 WeakPolarHBondContact O-CB 3.42Å; S371-I374 WeakPolarHBondContact O-CG2 3.5Å; S371-I374 PolarHBondContact O-N 2.98Å
372T97.4Very high95.4Very high0 Ų019.9 Ų19.90%09%0.089CC..G310 helixtrans-62-18.7173.569.50000112.8G308 R309 L311 I374 Q375 Y422 Q426G308-T372 WeakPolarHBondContact CA-OG1 3.49Å; R309-T372 PolarHBondContact N-OG1 2.82Å; R309-T372 PolarHBondContact O-N 2.82Å; R309-T372 PolarHBondContact O-OG1 3.19Å; L311-T372 HydrophobicContact CD2-CG2 3.83Å; L311-T372 HydrophobicContact CG-CG2 4.22Å; T372-I374 PolarHBondContact O-N 3.05Å; T372-Q375 WeakPolarHBondContact O-CB 3.35Å; T372-Q375 WeakPolarHBondContact O-CG 3.42Å; T372-Q375 PolarHBondContact O-N 3.32Å; T372-Q375 VanDerWaalsContact O-N 3.17Å; T372-Y422 HydrophobicContact CG2-CD1 4.24Å; T372-Y422 WeakPolarHBondContact CG2-O 3.34Å; T372-Q426 HydrophobicContact CG2-CB 3.89Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.45Å; T372-Q426 PolarHBondContact OG1-OE1 2.93Å
373A96.7Very high95.6Very high1 Ų118 Ų181%0.0088%0.083CC..G310 helixtrans-61-20.9173.400000113.2C303 D304 S371 Q375 E376C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.21Å; D304-A373 WeakPolarHBondContact O-CB 3.44Å; S371-A373 PolarHBondContact O-N 3.27Å; S371-A373 VanDerWaalsContact O-N 3.1Å; S371-A373 PolarHBondContact OG-N 3.46Å; A373-Q375 PolarHBondContact O-N 3.43Å; A373-E376 WeakPolarHBondContact O-CB 3.34Å; A373-E376 WeakPolarHBondContact O-CG 3.4Å; A373-E376 PolarHBondContact O-N 2.89Å
374I96.7Very high95.6Very high0 Ų020 Ų200%09%0.092CC..G310 helixtrans-57.2-22.7175.3-164.167.7000112.3C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422C201-I374 HydrophobicContact CB-CD1 3.99Å; F265-I374 HydrophobicContact CB-CG1 4.14Å; M267-I374 HydrophobicContact CG-CD1 3.72Å; M267-I374 HydrophobicContact SD-CD1 4.49Å; A301-I374 HydrophobicContact CB-CD1 4.27Å; S371-I374 WeakPolarHBondContact O-CB 3.42Å; S371-I374 WeakPolarHBondContact O-CG2 3.5Å; S371-I374 PolarHBondContact O-N 2.98Å; T372-I374 PolarHBondContact O-N 3.05Å; I374-E376 PolarHBondContact O-N 2.94Å; I374-E376 VanDerWaalsContact O-N 3.12Å; I374-L377 HydrophobicContact CD1-CB 4.38Å; I374-L377 HydrophobicContact CD1-CD1 4.29Å; I374-L377 VanDerWaalsContact O-CB 3.31Å; I374-L377 WeakPolarHBondContact O-CB 3.21Å; I374-L377 PolarHBondContact O-N 3.31Å; I374-F378 HydrophobicContact CG1-CE2 3.98Å; I374-F378 HydrophobicContact CG1-CZ 4.14Å; I374-F378 HydrophobicContact CG2-CE2 3.99Å; I374-Y422 HydrophobicContact CG2-CD1 4.11Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.6Å; I374-Y422 HydrophobicContact CG2-CE2 3.67Å; I374-Y422 HydrophobicContact CG2-CG 4.36Å
375Q95.9Very high95.6Very high6 Ų620 Ų203%0.0289%0.092CC..Hα-helixtrans-56.3-27.1173.775.9177-55.600113.3T372 A373 L377 F378 K379 V419 Q423 Q426T372-Q375 WeakPolarHBondContact O-CB 3.35Å; T372-Q375 WeakPolarHBondContact O-CG 3.42Å; T372-Q375 PolarHBondContact O-N 3.32Å; T372-Q375 VanDerWaalsContact O-N 3.17Å; A373-Q375 PolarHBondContact O-N 3.43Å; Q375-L377 VanDerWaalsContact C-N 3.27Å; Q375-L377 PolarHBondContact O-N 3.49Å; Q375-F378 PolarHBondContact O-N 3.06Å; Q375-K379 WeakPolarHBondContact O-CB 3.25Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.4Å; Q375-K379 PolarHBondContact O-N 3.02Å; Q375-V419 HydrophobicContact CB-CG1 4.42Å; Q375-V419 HydrophobicContact CB-CG2 4.45Å; Q375-Q423 VanDerWaalsContact NE2-OE1 3.1Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.09Å
376E95Very high95.6Very high62 Ų6221.2 Ų21.229%0.2910%0.1SC..Hα-helixtrans-61.5-37.8175.6-66.8-169.3143.900111.7C303 D304 H307 A373 I374 R380C303-E376 WeakPolarHBondContact CA-OE2 3.39Å; C303-E376 HydrophobicContact CB-CB 4.47Å; D304-E376 PolarHBondContact N-OE2 2.75Å; H307-E376 WeakPolarHBondContact CB-OE1 3.45Å; H307-E376 IonicContact CE1-OE1 2.68Å; H307-E376 IonicContact CG-OE1 2.88Å; H307-E376 IonicContact ND1-OE1 3.64Å; H307-E376 PolarHBondContact ND1-OE1 3.46Å; H307-E376 IonicContact ND1-OE2 3.57Å; A373-E376 WeakPolarHBondContact O-CB 3.34Å; A373-E376 WeakPolarHBondContact O-CG 3.4Å; A373-E376 PolarHBondContact O-N 2.89Å; I374-E376 PolarHBondContact O-N 2.94Å; I374-E376 VanDerWaalsContact O-N 3.12Å; E376-R380 WeakPolarHBondContact O-CB 3.45Å; E376-R380 PolarHBondContact O-N 3.41Å
377L94.6Very high95.5Very high3 Ų323.8 Ų23.82%0.01612%0.121CC..Hα-helixtrans-64.5-46176.7-176.1147.6000110.8V170 C201 A301 I374 Q375 R380 V381V170-L377 HydrophobicContact CB-CD1 4.28Å; V170-L377 HydrophobicContact CG1-CD1 4.09Å; V170-L377 HydrophobicContact CG1-CD2 3.87Å; V170-L377 HydrophobicContact CG1-CG 4.05Å; V170-L377 HydrophobicContact CG2-CD1 3.97Å; V170-L377 HydrophobicContact CG2-CD2 4.05Å; C201-L377 HydrophobicContact CB-CD1 4.41Å; A301-L377 HydrophobicContact CB-CD1 4.36Å; I374-L377 HydrophobicContact CD1-CB 4.38Å; I374-L377 HydrophobicContact CD1-CD1 4.29Å; I374-L377 VanDerWaalsContact O-CB 3.31Å; I374-L377 WeakPolarHBondContact O-CB 3.21Å; I374-L377 PolarHBondContact O-N 3.31Å; Q375-L377 VanDerWaalsContact C-N 3.27Å; Q375-L377 PolarHBondContact O-N 3.49Å; L377-R380 PolarHBondContact O-N 3.25Å; L377-V381 WeakPolarHBondContact O-CG2 3.23Å; L377-V381 PolarHBondContact O-N 2.82Å; L377-V381 VanDerWaalsContact O-N 3.16Å
378F96.1Very high95.5Very high2 Ų225.1 Ų25.11%0.00913%0.127CC..Hα-helixtrans-67.6-43.2178.4-58.3-47.2000112.1V189 F265 I374 Q375 R380 V381 S382 M415 L418 V419 Y422V189-F378 HydrophobicContact CG1-CD1 4.19Å; V189-F378 HydrophobicContact CG1-CE1 4.02Å; V189-F378 HydrophobicContact CG2-CD1 4.37Å; V189-F378 HydrophobicContact CG2-CE1 4.14Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.28Å; F265-F378 AromaticContact CD1-CZ 3.66Å; F265-F378 HydrophobicContact CD1-CZ 3.66Å; F265-F378 HydrophobicContact CD2-CE2 4.39Å; F265-F378 AromaticContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CE1 4.32Å; F265-F378 HydrophobicContact CE1-CZ 4.01Å; F265-F378 HydrophobicContact CE2-CZ 4.3Å; F265-F378 HydrophobicContact CG-CE2 4.31Å; F265-F378 AromaticContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; I374-F378 HydrophobicContact CG1-CE2 3.98Å; I374-F378 HydrophobicContact CG1-CZ 4.14Å; I374-F378 HydrophobicContact CG2-CE2 3.99Å; Q375-F378 PolarHBondContact O-N 3.06Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.36Å; F378-V381 PolarHBondContact O-N 3.24Å; F378-S382 VanDerWaalsContact O-CB 3.31Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.05Å; F378-M415 HydrophobicContact CB-CG 4.02Å; F378-M415 HydrophobicContact CB-SD 4.09Å; F378-M415 VanDerWaalsContact O-SD 3.4Å; F378-L418 HydrophobicContact CD2-CD2 3.93Å; F378-L418 HydrophobicContact CE1-CD2 4.49Å; F378-L418 HydrophobicContact CE2-CD2 3.67Å; F378-L418 HydrophobicContact CE2-CG 4.45Å; F378-L418 HydrophobicContact CG-CD2 4.46Å; F378-L418 HydrophobicContact CZ-CD2 3.99Å; F378-V419 HydrophobicContact CB-CG2 3.65Å; F378-Y422 HydrophobicContact CD2-CE2 4.44Å; F378-Y422 HydrophobicContact CE2-CD2 4.46Å; F378-Y422 AromaticContact CE2-CE2 3.87Å; F378-Y422 HydrophobicContact CE2-CE2 3.87Å
379K95.5Very high95.5Very high82 Ų8226.4 Ų26.436%0.35713%0.133SC..Hα-helixtrans-56.7-44.1173.9-73.8174.9-172.5176.20111.4Q375 V381 S382 E383 V419Q375-K379 WeakPolarHBondContact O-CB 3.25Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.4Å; Q375-K379 PolarHBondContact O-N 3.02Å; K379-V381 PolarHBondContact O-N 3.42Å; K379-S382 PolarHBondContact O-N 3.47Å; K379-E383 WeakPolarHBondContact O-CB 3.32Å; K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.26Å; K379-E383 PolarHBondContact O-N 2.89Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.99Å; K379-V419 HydrophobicContact CG-CG2 4.28Å
380R93.7Very high95.5Very high44 Ų4436.1 Ų36.117%0.16617%0.17CC..Hα-helixtrans-61.6-42.3177.5-175.7-175.662.1-170.4-16112.5D203 E205 E376 L377 F378 Q384D203-R380 IonicContact OD1-NH1 2.63Å; D203-R380 IonicContact OD1-NH2 3.7Å; D203-R380 IonicContact OD2-CZ 3.22Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.66Å; D203-R380 PolarHBondContact OD2-NH1 3.49Å; D203-R380 IonicContact OD2-NH2 3.35Å; D203-R380 PolarHBondContact OD2-NH2 3.48Å; E205-R380 IonicContact OE2-CZ 2.74Å; E205-R380 IonicContact OE2-NH1 2.81Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å; E376-R380 WeakPolarHBondContact O-CB 3.45Å; E376-R380 PolarHBondContact O-N 3.41Å; L377-R380 PolarHBondContact O-N 3.25Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.36Å; R380-Q384 WeakPolarHBondContact O-CG 3.16Å; R380-Q384 PolarHBondContact O-N 2.81Å
381V93.9Very high95.4Very high6 Ų646.2 Ų46.24%0.03621%0.208CC..Hα-helixtrans-67.4-46.5176.6174.20000110.5V170 A185 L377 F378 K379 E383 Q384 F385 M415V170-V381 HydrophobicContact CG1-CG2 4.46Å; A185-V381 HydrophobicContact CB-CG1 3.75Å; A185-V381 HydrophobicContact CB-CG2 4.47Å; L377-V381 WeakPolarHBondContact O-CG2 3.23Å; L377-V381 PolarHBondContact O-N 2.82Å; L377-V381 VanDerWaalsContact O-N 3.16Å; F378-V381 PolarHBondContact O-N 3.24Å; K379-V381 PolarHBondContact O-N 3.42Å; V381-E383 PolarHBondContact O-N 2.9Å; V381-Q384 PolarHBondContact O-N 3.01Å; V381-F385 WeakPolarHBondContact O-CB 3.14Å; V381-F385 PolarHBondContact O-N 3.45Å; V381-M415 HydrophobicContact CB-SD 4.44Å; V381-M415 HydrophobicContact CG1-CE 4.11Å; V381-M415 HydrophobicContact CG1-SD 4.43Å
382S94.7Very high95.4Very high12 Ų1251.8 Ų51.88%0.08423%0.232CC..Hα-helixtrans-58.1-46.5178.4-176.80000111.9F378 K379 Q384 F385 T386 N416F378-S382 VanDerWaalsContact O-CB 3.31Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.05Å; K379-S382 PolarHBondContact O-N 3.47Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 3.26Å; S382-F385 WeakPolarHBondContact O-CB 3.36Å; S382-F385 PolarHBondContact O-N 3.02Å; S382-T386 WeakPolarHBondContact O-CB 3.34Å; S382-T386 PolarHBondContact O-N 3.02Å; S382-T386 PolarHBondContact O-OG1 3.49Å; S382-N416 PolarHBondContact OG-OD1 3.32Å
383E94.7Very high95.3Very high140 Ų14053 Ų5365%0.65424%0.243SC*.Hα-helixtrans-57.9-42.7177.4-76.9176.5-173.600112.9K379 V381 A387K379-E383 WeakPolarHBondContact O-CB 3.32Å; K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.26Å; K379-E383 PolarHBondContact O-N 2.89Å; V381-E383 PolarHBondContact O-N 2.9Å; E383-A387 WeakPolarHBondContact O-CB 3.47Å; E383-A387 PolarHBondContact O-N 3.27Å; E383-A387 VanDerWaalsContact O-N 3.14Å
384Q94Very high95.2Very high62 Ų6256.4 Ų56.429%0.2926%0.257SS..Hα-helixtrans-69.7-42.8178.3-67.3173.2700111.2P182 R380 V381 S382 A387 M388P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; R380-Q384 WeakPolarHBondContact O-CG 3.16Å; R380-Q384 PolarHBondContact O-N 2.81Å; V381-Q384 PolarHBondContact O-N 3.01Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 3.26Å; Q384-A387 PolarHBondContact O-N 3.34Å; Q384-M388 WeakPolarHBondContact O-CG 3.34Å; Q384-M388 PolarHBondContact O-N 2.81Å; Q384-M388 VanDerWaalsContact O-N 3.17Å
385F95.5Very high95.2Very high0 Ų056.9 Ų56.90%026%0.26CS..Hα-helixtrans-55.7-55.5174175.7-80.7000110.8P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.33Å; Y183-F385 AromaticContact CD1-CD2 3.46Å; Y183-F385 HydrophobicContact CD1-CD2 3.46Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F385 AromaticContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CG 4.28Å; Y183-F385 HydrophobicContact CD1-CZ 4.37Å; Y183-F385 HydrophobicContact CE1-CD2 4.05Å; Y183-F385 HydrophobicContact CE1-CE2 4.03Å; Y183-F385 HydrophobicContact CE1-CZ 4.48Å; T186-F385 VanDerWaalsContact CB-CD2 3.44Å; T186-F385 HydrophobicContact CG2-CD2 3.65Å; T186-F385 HydrophobicContact CG2-CE2 3.6Å; T186-F385 HydrophobicContact CG2-CG 4.26Å; T186-F385 HydrophobicContact CG2-CZ 4.2Å; T186-F385 VanDerWaalsContact OG1-CD2 3.23Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.29Å; V381-F385 WeakPolarHBondContact O-CB 3.14Å; V381-F385 PolarHBondContact O-N 3.45Å; S382-F385 WeakPolarHBondContact O-CB 3.36Å; S382-F385 PolarHBondContact O-N 3.02Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.96Å; F385-M388 PolarHBondContact O-N 3.49Å; F385-F389 HydrophobicContact CD1-CB 4.27Å; F385-F389 HydrophobicContact CE1-CB 3.91Å; F385-F389 HydrophobicContact CE1-CD1 4.39Å; F385-F389 HydrophobicContact CE1-CG 4.04Å; F385-F389 HydrophobicContact CZ-CB 4.42Å; F385-F389 HydrophobicContact CZ-CD2 4.35Å; F385-F389 HydrophobicContact CZ-CG 4.31Å; F385-F389 WeakPolarHBondContact O-CB 3.41Å; F385-F389 PolarHBondContact O-N 3.26Å; F385-F408 AromaticContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CZ-CB 4Å; F385-F408 AromaticContact CZ-CD1 3.9Å; F385-F408 HydrophobicContact CZ-CD1 3.9Å; F385-F408 HydrophobicContact CZ-CG 4.47Å; F385-F408 WeakPolarHBondContact CZ-O 3.49Å; F385-E412 HydrophobicContact CD1-CB 4.16Å; F385-E412 HydrophobicContact CD1-CG 3.91Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.45Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.13Å
386T96.3Very high95.2Very high26 Ų2662.5 Ų62.516%0.1629%0.285CS..Hα-helixtrans-58.5-40.7-178.1-57.20000111S382 M388 F389 R390 E412S382-T386 WeakPolarHBondContact O-CB 3.34Å; S382-T386 PolarHBondContact O-N 3.02Å; S382-T386 PolarHBondContact O-OG1 3.49Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.04Å; T386-F389 PolarHBondContact O-N 3.44Å; T386-R390 HydrophobicContact CG2-CG 4.18Å; T386-R390 VanDerWaalsContact CG2-NE 3.26Å; T386-R390 WeakPolarHBondContact O-CB 3.31Å; T386-R390 WeakPolarHBondContact O-CG 3.14Å; T386-R390 PolarHBondContact O-N 3.3Å; T386-E412 PolarHBondContact OG1-OE1 2.95Å
387A94.4Very high95.2Very high53 Ų5365 Ų6544%0.43829%0.293SS..Hα-helixtrans-62.4-37.9178.500000112.7E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.47Å; E383-A387 PolarHBondContact O-N 3.27Å; E383-A387 VanDerWaalsContact O-N 3.14Å; Q384-A387 PolarHBondContact O-N 3.34Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.96Å
388M94.9Very high95.4Very high28 Ų2864.9 Ų64.914%0.13829%0.292CS..Hα-helixtrans-75-47.2175.8-68.4-17860.500112.1V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.42Å; V179-M388 VanDerWaalsContact O-SD 3.38Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.75Å; Y183-M388 HydrophobicContact CD2-CE 4.28Å; Y183-M388 HydrophobicContact CE1-CB 3.86Å; Y183-M388 HydrophobicContact CE2-CE 4.03Å; Y183-M388 VanDerWaalsContact OH-C 3.22Å; Y183-M388 PolarHBondContact OH-O 3.47Å; Q384-M388 WeakPolarHBondContact O-CG 3.34Å; Q384-M388 PolarHBondContact O-N 2.81Å; Q384-M388 VanDerWaalsContact O-N 3.17Å; F385-M388 PolarHBondContact O-N 3.49Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.04Å; M388-R390 PolarHBondContact O-N 3.28Å; M388-R391 PolarHBondContact O-N 3.37Å; M388-R391 VanDerWaalsContact O-N 3.08Å; M388-K392 PolarHBondContact O-N 2.91Å; M388-A393 HydrophobicContact CB-CB 4.5Å; M388-A393 PolarHBondContact O-N 2.82Å; M388-A393 VanDerWaalsContact O-N 3.13Å; M388-F394 HydrophobicContact CE-CD2 3.91Å
389F96.1Very high95.4Very high28 Ų2867.5 Ų67.512%0.12331%0.308CS..Hα-helixtrans-64.6-41.5-174.3-168.1-112.1000112.1Y183 F385 T386 R391 K392 L395 E405 F408 T409Y183-F389 HydrophobicContact CE1-CB 4.05Å; Y183-F389 HydrophobicContact CE1-CD2 4.3Å; Y183-F389 VanDerWaalsContact OH-CA 3.29Å; Y183-F389 WeakPolarHBondContact OH-CA 3.44Å; Y183-F389 PolarHBondContact OH-N 3.42Å; F385-F389 HydrophobicContact CD1-CB 4.27Å; F385-F389 HydrophobicContact CE1-CB 3.91Å; F385-F389 HydrophobicContact CE1-CD1 4.39Å; F385-F389 HydrophobicContact CE1-CG 4.04Å; F385-F389 HydrophobicContact CZ-CB 4.42Å; F385-F389 HydrophobicContact CZ-CD2 4.35Å; F385-F389 HydrophobicContact CZ-CG 4.31Å; F385-F389 WeakPolarHBondContact O-CB 3.41Å; F385-F389 PolarHBondContact O-N 3.26Å; T386-F389 PolarHBondContact O-N 3.44Å; F389-R391 PolarHBondContact O-N 2.84Å; F389-R391 VanDerWaalsContact O-N 3.08Å; F389-K392 WeakPolarHBondContact O-CA 3.14Å; F389-K392 PolarHBondContact O-N 3.06Å; F389-L395 HydrophobicContact CD2-CD1 4.34Å; F389-L395 HydrophobicContact CE2-CD1 3.95Å; F389-L395 HydrophobicContact CE2-CD2 4.3Å; F389-E405 HydrophobicContact CE2-CG 4.25Å; F389-E405 HydrophobicContact CZ-CG 4.04Å; F389-F408 HydrophobicContact CD2-CB 4.16Å; F389-F408 HydrophobicContact CD2-CD1 4.32Å; F389-F408 HydrophobicContact CD2-CG 4.35Å; F389-F408 HydrophobicContact CE2-CB 3.52Å; F389-F408 HydrophobicContact CE2-CD1 4.29Å; F389-F408 HydrophobicContact CE2-CD2 4.49Å; F389-F408 AromaticContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CZ-CB 3.92Å; F389-T409 HydrophobicContact CE1-CG2 3.73Å; F389-T409 HydrophobicContact CZ-CG2 3.86Å
390R95.6Very high95.4Very high204 Ų20466.6 Ų66.677%0.7732%0.322SS*.THydrogen-bonded Turntrans-55.9-28.9174.1-76.6177.7-178.7175.47113.6T386 M388T386-R390 HydrophobicContact CG2-CG 4.18Å; T386-R390 VanDerWaalsContact CG2-NE 3.26Å; T386-R390 WeakPolarHBondContact O-CB 3.31Å; T386-R390 WeakPolarHBondContact O-CG 3.14Å; T386-R390 PolarHBondContact O-N 3.3Å; M388-R390 PolarHBondContact O-N 3.28Å
391R96Very high95.6Very high211 Ų21167.1 Ų67.180%0.79633%0.326SS*.THydrogen-bonded Turntrans-94.7-0.8178.2-62.5178.7-178.9176.52.9112.7M388 F389 A393M388-R391 PolarHBondContact O-N 3.37Å; M388-R391 VanDerWaalsContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 2.84Å; F389-R391 VanDerWaalsContact O-N 3.08Å; R391-A393 HydrophobicContact CB-CB 4.44Å; R391-A393 PolarHBondContact O-N 2.89Å; R391-A393 VanDerWaalsContact O-N 3.14Å
392K95.6Very high95.6Very high117 Ų11769.9 Ų69.951%0.50936%0.356SS..THydrogen-bonded Turntrans49.132.8-168.8-56.9-167.5175.2-126.80112.2M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 2.91Å; F389-K392 WeakPolarHBondContact O-CA 3.14Å; F389-K392 PolarHBondContact O-N 3.06Å; K392-F394 PolarHBondContact O-N 2.91Å; K392-L395 HydrophobicContact CB-CB 4.43Å; K392-L395 HydrophobicContact CB-CD2 4.26Å; K392-L395 HydrophobicContact CD-CD2 4.37Å; K392-L395 HydrophobicContact CG-CD2 4.28Å; K392-L395 PolarHBondContact O-N 3.35Å; K392-E405 IonicContact NZ-OE1 2.7Å; K392-E405 PolarHBondContact NZ-OE1 3.09Å; K392-E405 IonicContact NZ-OE2 3.25Å; K392-E405 PolarHBondContact NZ-OE2 3.33Å
393A95.2Very high95.7Very high27 Ų2769.5 Ų69.522%0.22335%0.353CS..THydrogen-bonded Turntrans-66.1128.4-177.400000109Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.42Å; Y183-A393 PolarHBondContact OH-O 3.13Å; M388-A393 HydrophobicContact CB-CB 4.5Å; M388-A393 PolarHBondContact O-N 2.82Å; M388-A393 VanDerWaalsContact O-N 3.13Å; R391-A393 HydrophobicContact CB-CB 4.44Å; R391-A393 PolarHBondContact O-N 2.89Å; R391-A393 VanDerWaalsContact O-N 3.14Å; A393-L395 PolarHBondContact O-N 3.24Å
394F95.6Very high95.8Very high72 Ų7267 Ų6732%0.31634%0.344SS..THydrogen-bonded Turntrans57.24.9179.7-49.6-76.6000116.5V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.19Å; V179-F394 HydrophobicContact CB-CZ 4.45Å; V179-F394 HydrophobicContact CG2-CD2 4.18Å; V179-F394 HydrophobicContact CG2-CE1 4.17Å; V179-F394 HydrophobicContact CG2-CE2 3.71Å; V179-F394 HydrophobicContact CG2-CZ 3.7Å; V180-F394 HydrophobicContact CG1-CB 3.79Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; M388-F394 HydrophobicContact CE-CD2 3.91Å; K392-F394 PolarHBondContact O-N 2.91Å; F394-H396 PolarHBondContact O-N 3.06Å; F394-W397 HydrophobicContact CB-CD2 4.3Å; F394-W397 HydrophobicContact CB-CE3 4.43Å; F394-W397 HydrophobicContact CD1-CD2 4.1Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.19Å; F394-W397 AromaticContact CD1-CH2 3.8Å; F394-W397 HydrophobicContact CD1-CH2 3.8Å; F394-W397 AromaticContact CD1-CZ2 3.69Å; F394-W397 HydrophobicContact CD1-CZ2 3.69Å; F394-W397 HydrophobicContact CD1-CZ3 4.05Å; F394-W397 HydrophobicContact CE1-CH2 4Å; F394-W397 HydrophobicContact CE1-CZ2 4.02Å; F394-W397 VanDerWaalsContact O-CB 3.28Å; F394-W397 WeakPolarHBondContact O-CB 3.31Å; F394-W397 PolarHBondContact O-N 2.88Å
395L95.4Very high95.8Very high10 Ų1067.5 Ų67.55%0.05235%0.346CS..Hα-helixtrans-56.7-39.5-176.2-17664.6000112.5F389 K392 A393 W397 Y398 T399 E405 F408F389-L395 HydrophobicContact CD2-CD1 4.34Å; F389-L395 HydrophobicContact CE2-CD1 3.95Å; F389-L395 HydrophobicContact CE2-CD2 4.3Å; K392-L395 HydrophobicContact CB-CB 4.43Å; K392-L395 HydrophobicContact CB-CD2 4.26Å; K392-L395 HydrophobicContact CD-CD2 4.37Å; K392-L395 HydrophobicContact CG-CD2 4.28Å; K392-L395 PolarHBondContact O-N 3.35Å; A393-L395 PolarHBondContact O-N 3.24Å; L395-W397 PolarHBondContact O-N 3.08Å; L395-W397 VanDerWaalsContact O-N 3.09Å; L395-Y398 PolarHBondContact O-N 2.58Å; L395-T399 HydrophobicContact CD1-CG2 4.43Å; L395-T399 HydrophobicContact CG-CG2 4.19Å; L395-T399 PolarHBondContact O-N 3.02Å; L395-T399 VanDerWaalsContact O-N 3.12Å; L395-E405 HydrophobicContact CD2-CG 3.95Å; L395-F408 HydrophobicContact CD1-CD1 4.33Å; L395-F408 HydrophobicContact CD1-CD2 3.74Å; L395-F408 HydrophobicContact CD1-CE1 4.13Å; L395-F408 HydrophobicContact CD1-CE2 3.49Å; L395-F408 VanDerWaalsContact CD1-CE2 3.49Å; L395-F408 HydrophobicContact CD1-CG 4.15Å; L395-F408 HydrophobicContact CD1-CZ 3.71Å
396H95.6Very high95.8Very high123 Ų12373.4 Ų73.457%0.56938%0.375SS*.Hα-helixtrans-59.6-18.7176.867.4-73.2000114.6F394 Y398 T399 G400F394-H396 PolarHBondContact O-N 3.06Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; H396-T399 WeakPolarHBondContact CA-OG1 3.32Å; H396-G400 PolarHBondContact O-N 2.99Å; H396-G400 VanDerWaalsContact O-N 3.08Å
397W96.4Very high95.9Very high116 Ų11674.2 Ų74.244%0.43938%0.377SS..Hα-helixtrans-72.1-29.4173.6-64.94.4000111.5N100 V180 F394 L395 E401N100-W397 PolarHBondContact ND2-O 3.27Å; V180-W397 HydrophobicContact CG1-CE3 4.2Å; V180-W397 HydrophobicContact CG1-CZ3 4.34Å; F394-W397 HydrophobicContact CB-CD2 4.3Å; F394-W397 HydrophobicContact CB-CE3 4.43Å; F394-W397 HydrophobicContact CD1-CD2 4.1Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.19Å; F394-W397 AromaticContact CD1-CH2 3.8Å; F394-W397 HydrophobicContact CD1-CH2 3.8Å; F394-W397 AromaticContact CD1-CZ2 3.69Å; F394-W397 HydrophobicContact CD1-CZ2 3.69Å; F394-W397 HydrophobicContact CD1-CZ3 4.05Å; F394-W397 HydrophobicContact CE1-CH2 4Å; F394-W397 HydrophobicContact CE1-CZ2 4.02Å; F394-W397 VanDerWaalsContact O-CB 3.28Å; F394-W397 WeakPolarHBondContact O-CB 3.31Å; F394-W397 PolarHBondContact O-N 2.88Å; L395-W397 PolarHBondContact O-N 3.08Å; L395-W397 VanDerWaalsContact O-N 3.09Å; W397-E401 WeakPolarHBondContact O-CG 3.45Å
398Y98.1Very high96Very high0 Ų071.7 Ų71.70%036%0.357CS..Hα-helixtrans-89.6-47.4-179.6-67.9-110.4000110.6N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.17Å; W101-Y398 HydrophobicContact CB-CE1 3.99Å; A102-Y398 HydrophobicContact CB-CD1 3.76Å; A102-Y398 HydrophobicContact CB-CG 4.2Å; V180-Y398 HydrophobicContact CB-CE2 4.26Å; V180-Y398 VanDerWaalsContact CB-OH 3.29Å; V180-Y398 WeakPolarHBondContact CB-OH 3.39Å; V180-Y398 HydrophobicContact CG1-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.47Å; V180-Y398 PolarHBondContact O-OH 3.03Å; Y183-Y398 HydrophobicContact CD2-CD2 4.22Å; Y183-Y398 AromaticContact CD2-CE2 3.66Å; Y183-Y398 HydrophobicContact CD2-CE2 3.66Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.5Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.35Å; N184-Y398 PolarHBondContact OD1-OH 3.42Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.07Å; L395-Y398 PolarHBondContact O-N 2.58Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; Y398-G400 PolarHBondContact O-N 3.06Å; Y398-E401 WeakPolarHBondContact O-CB 3.5Å; Y398-E401 PolarHBondContact O-N 3.25Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.36Å; Y398-F408 HydrophobicContact CD1-CE1 4.31Å; Y398-F408 AromaticContact CD1-CZ 3.68Å; Y398-F408 HydrophobicContact CD1-CZ 3.68Å; Y398-F408 HydrophobicContact CD2-CZ 4.18Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.38Å; Y398-F408 HydrophobicContact CG-CE2 4.43Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å
399T96.8Very high96.1Very high56 Ų5673.3 Ų73.334%0.34437%0.368SS..Hα-helixtrans-65.9-26.2177.666.60000112.3L395 H396 E401 G402 M403L395-T399 HydrophobicContact CD1-CG2 4.43Å; L395-T399 HydrophobicContact CG-CG2 4.19Å; L395-T399 PolarHBondContact O-N 3.02Å; L395-T399 VanDerWaalsContact O-N 3.12Å; H396-T399 WeakPolarHBondContact CA-OG1 3.32Å; T399-E401 PolarHBondContact O-N 3.05Å; T399-G402 PolarHBondContact O-N 2.87Å; T399-G402 VanDerWaalsContact O-N 3.16Å; T399-M403 WeakPolarHBondContact CA-O 3.47Å
400G96Very high96.2Very high63 Ų6377.4 Ų77.465%0.64939%0.388SS*.THydrogen-bonded Turntrans-65.2-22.8172.400000113.9H396 Y398 G402H396-G400 PolarHBondContact O-N 2.99Å; H396-G400 VanDerWaalsContact O-N 3.08Å; Y398-G400 PolarHBondContact O-N 3.06Å; G400-G402 VanDerWaalsContact C-N 3.32Å
401E96.2Very high96.3Very high55 Ų5567.7 Ų67.726%0.25735%0.351SS..THydrogen-bonded Turntrans-90.43.7175.5-57.7-68.2150.400112.2A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.95Å; A102-E401 HydrophobicContact CB-CG 4.38Å; K103-E401 HydrophobicContact CB-CG 4.07Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.02Å; T107-E401 PolarHBondContact OG1-OE2 3.29Å; W397-E401 WeakPolarHBondContact O-CG 3.45Å; Y398-E401 WeakPolarHBondContact O-CB 3.5Å; Y398-E401 PolarHBondContact O-N 3.25Å; T399-E401 PolarHBondContact O-N 3.05Å
402G94.3Very high96.4Very high64 Ų6459.3 Ų59.366%0.6632%0.321SS*.THydrogen-bonded Turntrans99.6-0.1176.600000115.6T399 G400T399-G402 PolarHBondContact O-N 2.87Å; T399-G402 VanDerWaalsContact O-N 3.16Å; G400-G402 VanDerWaalsContact C-N 3.32Å
403M97.1Very high96.4Very high5 Ų556.5 Ų56.53%0.02532%0.316CS..  trans-71.4139.2177.1-175.3178.5174.200112.1W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.14Å; W101-M403 HydrophobicContact CZ3-CE 4.31Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å; A102-M403 HydrophobicContact CB-CB 4.04Å; A102-M403 HydrophobicContact CB-SD 3.97Å; Y106-M403 HydrophobicContact CD2-CB 3.89Å; Y106-M403 HydrophobicContact CD2-CG 4.39Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.74Å; Y106-M403 HydrophobicContact CE2-SD 4.39Å; L187-M403 HydrophobicContact CD1-CE 3.6Å; L187-M403 HydrophobicContact CD1-SD 4.02Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.11Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.36Å; T399-M403 WeakPolarHBondContact CA-O 3.47Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.46Å; M403-E407 WeakPolarHBondContact CG-OE1 3.31Å; M403-F408 HydrophobicContact CE-CD2 3.61Å; M403-F408 HydrophobicContact CE-CE1 4.37Å; M403-F408 HydrophobicContact CE-CE2 3.39Å; M403-F408 HydrophobicContact CE-CG 4.2Å; M403-F408 HydrophobicContact CE-CZ 3.8Å; M403-F408 HydrophobicContact CG-CE2 4.23Å; M403-F408 HydrophobicContact SD-CD2 4.35Å; M403-F408 HydrophobicContact SD-CE2 3.55Å; M403-F408 VanDerWaalsContact SD-CE2 3.55Å; M403-F408 HydrophobicContact SD-CZ 3.8Å
404D96.2Very high96.6Very high87 Ų8756 Ų5647%0.46531%0.309SS..  trans-78.3145.1174.9-159.9-45.9000111.3M406 E407D404-M406 PolarHBondContact O-N 2.95Å; D404-M406 PolarHBondContact OD1-N 3.26Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.35Å; D404-E407 PolarHBondContact O-N 3.4Å
405E94.5Very high96.7Very high73 Ų7352.6 Ų52.634%0.34130%0.295SS..Hα-helixtrans-64.1-27172.9-174.3171.9172.800111.5F389 K392 L395 E407 F408F389-E405 HydrophobicContact CE2-CG 4.25Å; F389-E405 HydrophobicContact CZ-CG 4.04Å; K392-E405 IonicContact NZ-OE1 2.7Å; K392-E405 PolarHBondContact NZ-OE1 3.09Å; K392-E405 IonicContact NZ-OE2 3.25Å; K392-E405 PolarHBondContact NZ-OE2 3.33Å; L395-E405 HydrophobicContact CD2-CG 3.95Å; E405-E407 VanDerWaalsContact C-N 3.31Å; E405-E407 PolarHBondContact O-N 2.87Å; E405-F408 WeakPolarHBondContact O-CB 3.39Å; E405-F408 PolarHBondContact O-N 3.05Å
406M96.1Very high96.8Very high124 Ų12455.2 Ų55.261%0.61131%0.309SS*.Hα-helixtrans-64.1-33.5177.4-66.3-168.7-176.900112.9D404 F408 T409 E410D404-M406 PolarHBondContact O-N 2.95Å; D404-M406 PolarHBondContact OD1-N 3.26Å; M406-F408 PolarHBondContact O-N 3.2Å; M406-T409 PolarHBondContact O-N 3.24Å; M406-T409 PolarHBondContact O-OG1 3.4Å; M406-E410 WeakPolarHBondContact O-CG 3.47Å; M406-E410 PolarHBondContact O-N 3.47Å
407E97.4Very high96.9Very high43 Ų4353 Ų5320%0.20130%0.301CS..Hα-helixtrans-61.3-32.8178.5-66.2175.5-121.100112.2Y106 M403 D404 E405 T409 E410 A411Y106-E407 PolarHBondContact OH-OE1 3.42Å; Y106-E407 PolarHBondContact OH-OE2 3.47Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.46Å; M403-E407 WeakPolarHBondContact CG-OE1 3.31Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.35Å; D404-E407 PolarHBondContact O-N 3.4Å; E405-E407 VanDerWaalsContact C-N 3.31Å; E405-E407 PolarHBondContact O-N 2.87Å; E407-T409 VanDerWaalsContact C-N 3.34Å; E407-E410 PolarHBondContact O-N 2.91Å; E407-A411 VanDerWaalsContact O-CB 3.31Å; E407-A411 WeakPolarHBondContact O-CB 3.29Å; E407-A411 PolarHBondContact O-N 3.31Å
408F97.6Very high96.9Very high0 Ų047.5 Ų47.50%028%0.28CS..Hα-helixtrans-62.2-44.1173.2-76.3-89.9000111.5Y183 L187 F385 F389 L395 Y398 M403 E405 M406 E412Y183-F408 HydrophobicContact CD1-CD1 4.25Å; Y183-F408 HydrophobicContact CD1-CE1 4.05Å; Y183-F408 HydrophobicContact CD2-CE1 4.03Å; Y183-F408 HydrophobicContact CE1-CE1 4.48Å; Y183-F408 HydrophobicContact CE2-CE1 4.45Å; Y183-F408 HydrophobicContact CG-CD1 4.45Å; Y183-F408 AromaticContact CG-CE1 3.81Å; Y183-F408 HydrophobicContact CG-CE1 3.81Å; L187-F408 HydrophobicContact CD1-CE1 4.08Å; L187-F408 HydrophobicContact CD1-CZ 4.32Å; F385-F408 AromaticContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CZ-CB 4Å; F385-F408 AromaticContact CZ-CD1 3.9Å; F385-F408 HydrophobicContact CZ-CD1 3.9Å; F385-F408 HydrophobicContact CZ-CG 4.47Å; F385-F408 WeakPolarHBondContact CZ-O 3.49Å; F389-F408 HydrophobicContact CD2-CB 4.16Å; F389-F408 HydrophobicContact CD2-CD1 4.32Å; F389-F408 HydrophobicContact CD2-CG 4.35Å; F389-F408 HydrophobicContact CE2-CB 3.52Å; F389-F408 HydrophobicContact CE2-CD1 4.29Å; F389-F408 HydrophobicContact CE2-CD2 4.49Å; F389-F408 AromaticContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CZ-CB 3.92Å; L395-F408 HydrophobicContact CD1-CD1 4.33Å; L395-F408 HydrophobicContact CD1-CD2 3.74Å; L395-F408 HydrophobicContact CD1-CE1 4.13Å; L395-F408 HydrophobicContact CD1-CE2 3.49Å; L395-F408 VanDerWaalsContact CD1-CE2 3.49Å; L395-F408 HydrophobicContact CD1-CG 4.15Å; L395-F408 HydrophobicContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD1-CE1 4.31Å; Y398-F408 AromaticContact CD1-CZ 3.68Å; Y398-F408 HydrophobicContact CD1-CZ 3.68Å; Y398-F408 HydrophobicContact CD2-CZ 4.18Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.38Å; Y398-F408 HydrophobicContact CG-CE2 4.43Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å; M403-F408 HydrophobicContact CE-CD2 3.61Å; M403-F408 HydrophobicContact CE-CE1 4.37Å; M403-F408 HydrophobicContact CE-CE2 3.39Å; M403-F408 HydrophobicContact CE-CG 4.2Å; M403-F408 HydrophobicContact CE-CZ 3.8Å; M403-F408 HydrophobicContact CG-CE2 4.23Å; M403-F408 HydrophobicContact SD-CD2 4.35Å; M403-F408 HydrophobicContact SD-CE2 3.55Å; M403-F408 VanDerWaalsContact SD-CE2 3.55Å; M403-F408 HydrophobicContact SD-CZ 3.8Å; E405-F408 WeakPolarHBondContact O-CB 3.39Å; E405-F408 PolarHBondContact O-N 3.05Å; M406-F408 PolarHBondContact O-N 3.2Å; F408-E412 WeakPolarHBondContact O-CB 3.42Å; F408-E412 PolarHBondContact O-N 3.5Å
409T96.5Very high96.9Very high62 Ų6248.2 Ų48.238%0.3828%0.284SS..Hα-helixtrans-71.5-35.5-179.254.10000112.2F389 M406 E407 S413F389-T409 HydrophobicContact CE1-CG2 3.73Å; F389-T409 HydrophobicContact CZ-CG2 3.86Å; M406-T409 PolarHBondContact O-N 3.24Å; M406-T409 PolarHBondContact O-OG1 3.4Å; E407-T409 VanDerWaalsContact C-N 3.34Å; T409-S413 WeakPolarHBondContact O-CB 3.37Å; T409-S413 PolarHBondContact O-N 3.48Å
410E97.8Very high96.9Very high114 Ų11448.9 Ų48.953%0.53329%0.292SS..Hα-helixtrans-65.8-44.6174.3-70.7174.7-179.300111.2M406 E407 S413 N414M406-E410 WeakPolarHBondContact O-CG 3.47Å; M406-E410 PolarHBondContact O-N 3.47Å; E407-E410 PolarHBondContact O-N 2.91Å; E410-S413 PolarHBondContact O-N 2.94Å; E410-N414 WeakPolarHBondContact O-CB 3.43Å; E410-N414 PolarHBondContact O-N 3.35Å
411A97.7Very high97Very high0 Ų047.9 Ų47.90%027%0.27CS..Hα-helixtrans-65.1-41.1176.700000112.8T186 L187 H190 E407 M415T186-A411 HydrophobicContact CG2-CB 3.83Å; L187-A411 HydrophobicContact CD2-CB 3.78Å; H190-A411 HydrophobicContact CB-CB 3.66Å; E407-A411 VanDerWaalsContact O-CB 3.31Å; E407-A411 WeakPolarHBondContact O-CB 3.29Å; E407-A411 PolarHBondContact O-N 3.31Å; A411-M415 PolarHBondContact O-N 3.06Å; A411-M415 VanDerWaalsContact O-N 3.11Å
412E97.4Very high97Very high35 Ų3545.3 Ų45.316%0.16426%0.258CS..Hα-helixtrans-62.9-43.6173.5-172.9179.1-142.700111.2F385 T386 F408 M415 N416F385-E412 HydrophobicContact CD1-CB 4.16Å; F385-E412 HydrophobicContact CD1-CG 3.91Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.45Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.13Å; T386-E412 PolarHBondContact OG1-OE1 2.95Å; F408-E412 WeakPolarHBondContact O-CB 3.42Å; F408-E412 PolarHBondContact O-N 3.5Å; E412-M415 PolarHBondContact O-N 2.99Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 3.34Å; E412-N416 PolarHBondContact O-ND2 3.08Å; E412-N416 VanDerWaalsContact O-ND2 3.09Å
413S97.7Very high97.2Very high58 Ų5845 Ų4541%0.40624%0.239SC..Hα-helixtrans-60.5-52.5176.5-165.30000111.2T409 E410 M415 N416 D417T409-S413 WeakPolarHBondContact O-CB 3.37Å; T409-S413 PolarHBondContact O-N 3.48Å; E410-S413 PolarHBondContact O-N 2.94Å; S413-M415 PolarHBondContact O-N 3Å; S413-N416 WeakPolarHBondContact O-CA 3.39Å; S413-N416 WeakPolarHBondContact O-CB 3.43Å; S413-N416 PolarHBondContact O-N 3.47Å; S413-D417 VanDerWaalsContact O-CG 3.23Å; S413-D417 PolarHBondContact O-N 3.25Å; S413-D417 PolarHBondContact OG-OD2 2.96Å
414N98Very high97.1Very high16 Ų1648.9 Ų48.99%0.08626%0.257CS..Hα-helixtrans-58.9-36.5-178.5-16922000111.9H190 R262 E410 L418H190-N414 PolarHBondContact ND1-ND2 2.96Å; H190-N414 VanDerWaalsContact ND1-ND2 3.19Å; R262-N414 PolarHBondContact NH1-OD1 2.98Å; R262-N414 PolarHBondContact NH2-OD1 3.31Å; E410-N414 WeakPolarHBondContact O-CB 3.43Å; E410-N414 PolarHBondContact O-N 3.35Å; N414-L418 WeakPolarHBondContact O-CB 3.42Å; N414-L418 PolarHBondContact O-N 3.27Å
415M97.3Very high97Very high1 Ų145.6 Ų45.61%0.00524%0.239CC..Hα-helixtrans-68.1-39.9174.4-170.3-175.1-52.400112.6T186 V189 F378 V381 A411 E412 S413 D417 L418 V419T186-M415 VanDerWaalsContact CA-CE 3.42Å; T186-M415 HydrophobicContact CG2-CE 3.76Å; T186-M415 VanDerWaalsContact OG1-CE 3.31Å; T186-M415 WeakPolarHBondContact OG1-CE 3.39Å; V189-M415 HydrophobicContact CB-CE 4.12Å; V189-M415 HydrophobicContact CG1-CE 4.26Å; F378-M415 HydrophobicContact CB-CG 4.02Å; F378-M415 HydrophobicContact CB-SD 4.09Å; F378-M415 VanDerWaalsContact O-SD 3.4Å; V381-M415 HydrophobicContact CB-SD 4.44Å; V381-M415 HydrophobicContact CG1-CE 4.11Å; V381-M415 HydrophobicContact CG1-SD 4.43Å; A411-M415 PolarHBondContact O-N 3.06Å; A411-M415 VanDerWaalsContact O-N 3.11Å; E412-M415 PolarHBondContact O-N 2.99Å; S413-M415 PolarHBondContact O-N 3Å; M415-D417 VanDerWaalsContact C-N 3.34Å; M415-L418 PolarHBondContact O-N 2.87Å; M415-V419 WeakPolarHBondContact O-CG2 3.35Å; M415-V419 PolarHBondContact O-N 2.76Å
416N97.4Very high97Very high65 Ų6543.9 Ų43.935%0.34823%0.23SC..Hα-helixtrans-67.9-36.2176.6-67.9-33.7000111.7S382 E412 S413 V419 S420S382-N416 PolarHBondContact OG-OD1 3.32Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 3.34Å; E412-N416 PolarHBondContact O-ND2 3.08Å; E412-N416 VanDerWaalsContact O-ND2 3.09Å; S413-N416 WeakPolarHBondContact O-CA 3.39Å; S413-N416 WeakPolarHBondContact O-CB 3.43Å; S413-N416 PolarHBondContact O-N 3.47Å; N416-V419 PolarHBondContact O-N 2.84Å; N416-S420 PolarHBondContact O-N 3.36Å; N416-S420 PolarHBondContact O-OG 3.12Å
417D97.8Very high96.7Very high77 Ų7742.7 Ų42.741%0.41223%0.227SC..Hα-helixtrans-65-47.3174.4-62.4-28.4000110.1S413 M415 V419 S420 E421S413-D417 VanDerWaalsContact O-CG 3.23Å; S413-D417 PolarHBondContact O-N 3.25Å; S413-D417 PolarHBondContact OG-OD2 2.96Å; M415-D417 VanDerWaalsContact C-N 3.34Å; D417-V419 PolarHBondContact O-N 3.14Å; D417-V419 VanDerWaalsContact C-N 3.3Å; D417-S420 WeakPolarHBondContact O-CA 3.48Å; D417-S420 WeakPolarHBondContact O-CB 3.23Å; D417-S420 PolarHBondContact O-N 3.49Å; D417-S420 CarbonylContact O-C 3.53Å; D417-E421 PolarHBondContact O-N 2.94Å
418L97.7Very high96.3Very high0 Ų041.3 Ų41.30%022%0.222CC..Hα-helixtrans-55.1-44.2173.3179.869000112.3V189 V193 R262 L263 F265 F378 N414 M415 S420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.45Å; V193-L418 HydrophobicContact CG2-CD1 4.5Å; V193-L418 HydrophobicContact CG2-CD2 3.78Å; R262-L418 HydrophobicContact CB-CD1 4.29Å; R262-L418 WeakPolarHBondContact O-CD1 3.42Å; L263-L418 HydrophobicContact CD2-CD1 4.01Å; F265-L418 HydrophobicContact CD2-CD2 4.35Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.84Å; F265-L418 HydrophobicContact CZ-CD2 4.37Å; F378-L418 HydrophobicContact CD2-CD2 3.93Å; F378-L418 HydrophobicContact CE1-CD2 4.49Å; F378-L418 HydrophobicContact CE2-CD2 3.67Å; F378-L418 HydrophobicContact CE2-CG 4.45Å; F378-L418 HydrophobicContact CG-CD2 4.46Å; F378-L418 HydrophobicContact CZ-CD2 3.99Å; N414-L418 WeakPolarHBondContact O-CB 3.42Å; N414-L418 PolarHBondContact O-N 3.27Å; M415-L418 PolarHBondContact O-N 2.87Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.09Å; L418-E421 PolarHBondContact O-N 2.76Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 PolarHBondContact O-N 3.05Å; L418-Y422 WeakPolarHBondContact O-CD2 3.28Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CD2-CE2 4.34Å; L418-Y422 HydrophobicContact CD1-CE2 3.75Å
419V97.7Very high95.4Very high14 Ų1444 Ų449%0.08524%0.239CC..Hα-helixtrans-62.1-39.5175.7164.80000111.3Q375 F378 K379 M415 N416 D417 Y422 Q423Q375-V419 HydrophobicContact CB-CG1 4.42Å; Q375-V419 HydrophobicContact CB-CG2 4.45Å; F378-V419 HydrophobicContact CB-CG2 3.65Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.99Å; K379-V419 HydrophobicContact CG-CG2 4.28Å; M415-V419 WeakPolarHBondContact O-CG2 3.35Å; M415-V419 PolarHBondContact O-N 2.76Å; N416-V419 PolarHBondContact O-N 2.84Å; D417-V419 PolarHBondContact O-N 3.14Å; D417-V419 VanDerWaalsContact C-N 3.3Å; V419-Y422 PolarHBondContact O-N 3.34Å; V419-Q423 PolarHBondContact O-N 2.86Å; V419-Q423 WeakPolarHBondContact O-CB 3.25Å
420S97.5Very high94.3Very high71 Ų7143.7 Ų43.750%0.49724%0.243SC..Hα-helixtrans-68-40.1179-56.90000111.6N416 D417 L418 Q423 Q424N416-S420 PolarHBondContact O-N 3.36Å; N416-S420 PolarHBondContact O-OG 3.12Å; D417-S420 WeakPolarHBondContact O-CA 3.48Å; D417-S420 WeakPolarHBondContact O-CB 3.23Å; D417-S420 PolarHBondContact O-N 3.49Å; D417-S420 CarbonylContact O-C 3.53Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.09Å; S420-Q423 WeakPolarHBondContact O-CB 3.31Å; S420-Q423 PolarHBondContact O-N 3.44Å; S420-Q424 PolarHBondContact O-N 3.21Å
421E96.7Very high93Very high42 Ų4246.9 Ų46.920%0.19626%0.257CS..Hα-helixtrans-60.9-49.2173.2-71.4166.5-123.500111.4R262 L263 D417 L418 Q423 Q424 Y425R262-E421 WeakPolarHBondContact CB-OE2 3.41Å; R262-E421 WeakPolarHBondContact CD-OE2 3.36Å; R262-E421 IonicContact CZ-OE1 3.54Å; R262-E421 IonicContact NE-OE1 2.96Å; R262-E421 PolarHBondContact NE-OE1 3.19Å; R262-E421 IonicContact NE-OE2 3.51Å; R262-E421 PolarHBondContact NE-OE2 2.91Å; R262-E421 IonicContact NH2-OE1 3.5Å; R262-E421 PolarHBondContact NH2-OE1 3.48Å; L263-E421 HydrophobicContact CD2-CB 4.27Å; D417-E421 PolarHBondContact O-N 2.94Å; L418-E421 PolarHBondContact O-N 2.76Å; E421-Q423 PolarHBondContact O-N 3.09Å; E421-Q424 WeakPolarHBondContact O-CB 3.45Å; E421-Q424 PolarHBondContact O-N 2.88Å; E421-Q424 VanDerWaalsContact O-N 3.17Å; E421-Y425 WeakPolarHBondContact O-CD2 3.35Å; E421-Y425 PolarHBondContact O-N 3.14Å
422Y97.6Very high91.2Very high0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-57.3-38.1174.5-85.2-66000112.3L263 T372 I374 F378 L418 V419 Q426L263-Y422 WeakPolarHBondContact CA-OH 3.4Å; L263-Y422 HydrophobicContact CB-CE1 3.88Å; L263-Y422 HydrophobicContact CD1-CD1 3.59Å; L263-Y422 HydrophobicContact CD1-CE1 3.65Å; L263-Y422 HydrophobicContact CD1-CG 4.28Å; L263-Y422 HydrophobicContact CD2-CD1 4.01Å; L263-Y422 HydrophobicContact CD2-CD2 3.98Å; L263-Y422 HydrophobicContact CD2-CE1 3.85Å; L263-Y422 HydrophobicContact CD2-CE2 3.77Å; L263-Y422 HydrophobicContact CD2-CG 4.08Å; L263-Y422 HydrophobicContact CG-CD1 4.28Å; L263-Y422 HydrophobicContact CG-CE1 3.98Å; T372-Y422 HydrophobicContact CG2-CD1 4.24Å; T372-Y422 WeakPolarHBondContact CG2-O 3.34Å; I374-Y422 HydrophobicContact CG2-CD1 4.11Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.6Å; I374-Y422 HydrophobicContact CG2-CE2 3.67Å; I374-Y422 HydrophobicContact CG2-CG 4.36Å; F378-Y422 HydrophobicContact CD2-CE2 4.44Å; F378-Y422 HydrophobicContact CE2-CD2 4.46Å; F378-Y422 AromaticContact CE2-CE2 3.87Å; F378-Y422 HydrophobicContact CE2-CE2 3.87Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 PolarHBondContact O-N 3.05Å; L418-Y422 WeakPolarHBondContact O-CD2 3.28Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CD2-CE2 4.34Å; L418-Y422 HydrophobicContact CD1-CE2 3.75Å; V419-Y422 PolarHBondContact O-N 3.34Å; Y422-Q426 VanDerWaalsContact O-CB 3.31Å; Y422-Q426 WeakPolarHBondContact O-CB 3.48Å; Y422-Q426 PolarHBondContact O-N 3.29Å
423Q96.6Very high89.1Confident57 Ų5751.6 Ų51.627%0.26628%0.28SS..Hα-helixtrans-68.2-42.6177.8-172.960.956.600111.7Q375 V419 S420 E421 Q426 D427Q375-Q423 VanDerWaalsContact NE2-OE1 3.1Å; V419-Q423 PolarHBondContact O-N 2.86Å; V419-Q423 WeakPolarHBondContact O-CB 3.25Å; S420-Q423 WeakPolarHBondContact O-CB 3.31Å; S420-Q423 PolarHBondContact O-N 3.44Å; E421-Q423 PolarHBondContact O-N 3.09Å; Q423-Q426 WeakPolarHBondContact O-CB 3.49Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q423-D427 VanDerWaalsContact O-N 3.14Å; Q423-D427 PolarHBondContact O-N 3.19Å; Q423-D427 PolarHBondContact NE2-OD1 3.42Å; Q423-D427 PolarHBondContact NE2-OD2 3.26Å; Q423-D427 VanDerWaalsContact NE2-CG 3.31Å
424Q95.8Very high87Confident88 Ų8851.4 Ų51.441%0.41129%0.286SS..Hα-helixtrans-57.3-51.8175.2178.1179.6-6.400111.1S420 E421 Q426 D427 A428S420-Q424 PolarHBondContact O-N 3.21Å; E421-Q424 WeakPolarHBondContact O-CB 3.45Å; E421-Q424 PolarHBondContact O-N 2.88Å; E421-Q424 VanDerWaalsContact O-N 3.17Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.34Å; Q424-D427 PolarHBondContact O-N 2.76Å; Q424-A428 WeakPolarHBondContact O-CB 3.33Å; Q424-A428 PolarHBondContact O-N 3Å
425Y94Very high84.9Confident18 Ų1857.1 Ų57.17%0.07131%0.313CS..Hα-helixtrans-70.1-21.6179.6-69.2-62.6000113.9F260 L263 W344 E421F260-Y425 HydrophobicContact CD1-CE1 4.26Å; F260-Y425 HydrophobicContact CD1-CE2 4.43Å; F260-Y425 AromaticContact CD1-CZ 3.79Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.37Å; F260-Y425 HydrophobicContact CD2-CD1 4.06Å; F260-Y425 HydrophobicContact CD2-CD2 4.07Å; F260-Y425 AromaticContact CD2-CE1 3.81Å; F260-Y425 HydrophobicContact CD2-CE1 3.81Å; F260-Y425 AromaticContact CD2-CE2 3.79Å; F260-Y425 HydrophobicContact CD2-CE2 3.79Å; F260-Y425 HydrophobicContact CD2-CG 4.19Å; F260-Y425 AromaticContact CD2-CZ 3.64Å; F260-Y425 AromaticContact CE1-CE1 3.74Å; F260-Y425 HydrophobicContact CE1-CE1 3.74Å; F260-Y425 AromaticContact CE1-CZ 3.71Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.23Å; F260-Y425 AromaticContact CE2-CD1 3.41Å; F260-Y425 HydrophobicContact CE2-CD1 3.41Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.41Å; F260-Y425 HydrophobicContact CE2-CD2 4.27Å; F260-Y425 AromaticContact CE2-CE1 3.2Å; F260-Y425 HydrophobicContact CE2-CE1 3.2Å; F260-Y425 HydrophobicContact CE2-CE2 4.08Å; F260-Y425 AromaticContact CE2-CG 3.96Å; F260-Y425 HydrophobicContact CE2-CG 3.96Å; F260-Y425 AromaticContact CE2-CZ 3.55Å; F260-Y425 HydrophobicContact CG-CE1 4.3Å; F260-Y425 AromaticContact CG-CE2 3.99Å; F260-Y425 HydrophobicContact CG-CE2 3.99Å; F260-Y425 AromaticContact CG-CZ 3.77Å; F260-Y425 AromaticContact CZ-CD1 3.81Å; F260-Y425 HydrophobicContact CZ-CD1 3.81Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 AromaticContact CZ-CZ 3.6Å; L263-Y425 HydrophobicContact CD1-CD2 3.62Å; L263-Y425 HydrophobicContact CD1-CE2 4.27Å; L263-Y425 HydrophobicContact CD1-CG 4.32Å; L263-Y425 HydrophobicContact CG-CD2 4.46Å; W344-Y425 HydrophobicContact CH2-CD1 4.24Å; W344-Y425 HydrophobicContact CZ2-CD1 4.31Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.3Å; E421-Y425 WeakPolarHBondContact O-CD2 3.35Å; E421-Y425 PolarHBondContact O-N 3.14Å
426Q93.8Very high82.8Confident36 Ų3658.9 Ų58.917%0.16832%0.321CS..Hα-helixtrans-69.3-39171.8-174.4179.2-72.200112.1H307 G308 R309 T372 Q375 Y422 Q423 Q424H307-Q426 PolarHBondContact O-OE1 2.97Å; G308-Q426 VanDerWaalsContact CA-OE1 3.27Å; R309-Q426 HydrophobicContact CG-CG 4.09Å; T372-Q426 HydrophobicContact CG2-CB 3.89Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.45Å; T372-Q426 PolarHBondContact OG1-OE1 2.93Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.09Å; Y422-Q426 VanDerWaalsContact O-CB 3.31Å; Y422-Q426 WeakPolarHBondContact O-CB 3.48Å; Y422-Q426 PolarHBondContact O-N 3.29Å; Q423-Q426 WeakPolarHBondContact O-CB 3.49Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.34Å
427D91.7Very high80.6Confident100 Ų10062 Ų6254%0.53533%0.333SS..Hα-helixtrans-89.3-16.8-176.1-62.9-26000112.1Q423 Q424Q423-D427 VanDerWaalsContact O-N 3.14Å; Q423-D427 PolarHBondContact O-N 3.19Å; Q423-D427 PolarHBondContact NE2-OD1 3.42Å; Q423-D427 PolarHBondContact NE2-OD2 3.26Å; Q423-D427 VanDerWaalsContact NE2-CG 3.31Å; Q424-D427 PolarHBondContact O-N 2.76Å
428A87.4Confident78.3Confident13 Ų1365.1 Ų65.111%0.10735%0.345CS..  trans-56.5136.3177.700000112.8W344 Q424 E432 F436W344-A428 PolarHBondContact NE1-O 3.03Å; Q424-A428 WeakPolarHBondContact O-CB 3.33Å; Q424-A428 PolarHBondContact O-N 3Å; A428-E432 WeakPolarHBondContact CA-OE2 3.48Å; A428-F436 HydrophobicContact CB-CE2 4.46Å
429T80Confident76Confident56 Ų5671.1 Ų71.134%0.34437%0.373SS..  trans-108.8163176.862.30000111.7E431 E432T429-E431 PolarHBondContact O-N 3.34Å; T429-E432 PolarHBondContact N-OE2 2.67Å; T429-E432 PolarHBondContact OG1-OE2 2.79Å; T429-E432 VanDerWaalsContact O-N 3.08Å; T429-E432 PolarHBondContact O-N 2.78Å
430A72.7Confident73.7Confident56 Ų5674.6 Ų74.646%0.46339%0.389SS..THydrogen-bonded Turntrans-60.8-14.8179.200000114.8E343 W344E343-A430 HydrophobicContact CG-CB 4.21Å; E343-A430 PolarHBondContact OE1-N 3.49Å; W344-A430 HydrophobicContact CB-CB 4.46Å
431E70Confident71.4Confident181 Ų18177.3 Ų77.385%0.84640%0.397SS*.THydrogen-bonded Turntrans-82.7-22.8177.1-64.6-176.8177.500112.8T429T429-E431 PolarHBondContact O-N 3.34Å
432E61.3Low68.7Low83 Ų8383.2 Ų83.239%0.38843%0.425SS..THydrogen-bonded Turntrans-93-17.6-173.5-65.8164.6155.700113A428 T429 G434 E435 F436A428-E432 WeakPolarHBondContact CA-OE2 3.48Å; T429-E432 PolarHBondContact N-OE2 2.67Å; T429-E432 PolarHBondContact OG1-OE2 2.79Å; T429-E432 VanDerWaalsContact O-N 3.08Å; T429-E432 PolarHBondContact O-N 2.78Å; E432-G434 VanDerWaalsContact C-N 3.31Å; E432-G434 PolarHBondContact O-N 3.35Å; E432-E435 PolarHBondContact O-N 3.43Å; E432-E435 VanDerWaalsContact O-N 3.13Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å; E432-F436 HydrophobicContact CB-CZ 4.38Å; E432-F436 HydrophobicContact CB-CD2 4.43Å; E432-F436 HydrophobicContact CB-CE2 3.68Å
433E51.7Low65.9Low52 Ų5291.9 Ų91.924%0.24347%0.466CS..Hα-helixtrans-62.8-33.2-176.1-143.9-171.2-168.200114.1W344 E435 F436 E437W344-E433 HydrophobicContact CB-CG 4.47Å; W344-E433 HydrophobicContact CE3-CG 4.42Å; E433-E435 PolarHBondContact O-N 3.25Å; E433-E435 VanDerWaalsContact O-N 3.17Å; E433-F436 PolarHBondContact O-N 2.84Å; E433-F436 VanDerWaalsContact O-N 3.12Å; E433-E437 PolarHBondContact O-N 2.91Å
434G55.4Low63.2Low53 Ų5396 Ų9655%0.54651%0.51SS..Hα-helixtrans-62.6-20.7177.300000113.7E432E432-G434 VanDerWaalsContact C-N 3.31Å; E432-G434 PolarHBondContact O-N 3.35Å
435E52.2Low61.5Low137 Ų13796.5 Ų96.564%0.6451%0.514SS*.Hα-helixtrans-87.3-33.5174.9-62.5-175.417000111.4E432 E433 E438 E439E432-E435 PolarHBondContact O-N 3.43Å; E432-E435 VanDerWaalsContact O-N 3.13Å; E433-E435 PolarHBondContact O-N 3.25Å; E433-E435 VanDerWaalsContact O-N 3.17Å; E435-E438 PolarHBondContact O-N 3.36Å; E435-E439 PolarHBondContact O-N 2.54Å
436F54.4Low59.8Low38 Ų38100.6 Ų100.617%0.16754%0.538CS..Hα-helixtrans-75-34-177.9-61.7-57.2000114A428 E432 E433 E438 E439 E440A428-F436 HydrophobicContact CB-CE2 4.46Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å; E432-F436 HydrophobicContact CB-CZ 4.38Å; E432-F436 HydrophobicContact CB-CD2 4.43Å; E432-F436 HydrophobicContact CB-CE2 3.68Å; E433-F436 PolarHBondContact O-N 2.84Å; E433-F436 VanDerWaalsContact O-N 3.12Å; F436-E438 PolarHBondContact O-N 2.84Å; F436-E439 PolarHBondContact O-N 3.25Å; F436-E440 PolarHBondContact O-N 2.7Å
437E51.6Low57.9Low131 Ų131104.2 Ų104.261%0.61256%0.558SS**Hα-helixtrans-65.4-25.6172.8-73.1-168.8168.900112.3E433 N441E433-E437 PolarHBondContact O-N 2.91Å; E437-N441 PolarHBondContact O-ND2 3.16Å
438E48.3Very low55.9Low142 Ų142104.4 Ų104.466%0.66456%0.56SS**Hα-helixtrans-76.7-39.4175.7-69.2-171.216900111.4E435 F436 E442E435-E438 PolarHBondContact O-N 3.36Å; F436-E438 PolarHBondContact O-N 2.84Å; E438-E442 WeakPolarHBondContact O-CG 3.5Å; E438-E442 PolarHBondContact O-N 2.88Å
439E49Very low54Low125 Ų125110.1 Ų110.158%0.58459%0.588SS**Hα-helixtrans-67.1-43.8-180-70.4-174165.500113.4E435 F436 N441 E442 E443E435-E439 PolarHBondContact O-N 2.54Å; F436-E439 PolarHBondContact O-N 3.25Å; E439-N441 PolarHBondContact O-N 3.25Å; E439-E442 PolarHBondContact O-N 2.98Å; E439-E443 PolarHBondContact O-N 3.25Å
440E50.5Low52.2Low88 Ų88113.7 Ų113.741%0.41160%0.604SS.*Hα-helixtrans-71.5-30.6-179.9-82-167.4167.100113.4F260 F436 E442 E443 A444F260-E440 WeakPolarHBondContact CD1-OE1 3.14Å; F436-E440 PolarHBondContact O-N 2.7Å; E440-E442 PolarHBondContact O-N 3.03Å; E440-E443 PolarHBondContact O-N 3.08Å; E440-A444 PolarHBondContact O-N 3.38Å
441N48.3Very low50.8Low127 Ų127117.9 Ų117.968%0.67961%0.614SS**Hα-helixtrans-72.2-16.8174.8-78.5-49.7000112.8E437 E439E437-N441 PolarHBondContact O-ND2 3.16Å; E439-N441 PolarHBondContact O-N 3.25Å
442E40Very low49.3Very low167 Ų167113 Ų11378%0.7860%0.597SS**Hα-helixtrans-85.9-21.5173.8-73-170.5171.100113.1E438 E439 E440E438-E442 WeakPolarHBondContact O-CG 3.5Å; E438-E442 PolarHBondContact O-N 2.88Å; E439-E442 PolarHBondContact O-N 2.98Å; E440-E442 PolarHBondContact O-N 3.03Å
443E40.3Very low48.3Very low182 Ų182115.5 Ų115.585%0.8561%0.614SS**Hα-helixtrans-95.5-9.1-179.2-66.8-163.7159.600115.3E439 E440E439-E443 PolarHBondContact O-N 3.25Å; E440-E443 PolarHBondContact O-N 3.08Å
444A37.9Very low48Very low144 Ų144121.3 Ų121.3100%1.1965%0.648SS**  trans-93.80174.500000113.2E440E440-A444 PolarHBondContact O-N 3.38Å

Retrieved 444 of 444 residues in 122.4 ms (Link to these results)

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