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Tubulin beta-3 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 Q9ASR0, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene TUBB3, Length 450 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
1M63.6Low91.9Very high131 Ų13133.1 Ų33.165%0.64515%0.148SC*.  0-173.60-100176.1-84.200105.8E3 N48 C129M1-E3 WeakPolarHBondContact CA-OE1 3.25Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; M1-E3 PolarHBondContact N-OE1 3.16Å; M1-E3 VanDerWaalsContact N-OE1 3.08Å; M1-E3 VanDerWaalsContact O-CD 3.26Å; M1-E3 VanDerWaalsContact O-OE2 3.1Å; M1-N48 WeakPolarHBondContact CB-ND2 3.39Å; M1-N48 VanDerWaalsContact CE-ND2 3.26Å; M1-N48 WeakPolarHBondContact CE-ND2 3.37Å; M1-N48 PolarHBondContact SD-ND2 3.26Å; M1-N48 PolarHBondContact SD-OD1 2.77Å; M1-C129 WeakPolarHBondContact O-CB 3.35Å; M1-C129 VanDerWaalsContact O-O 3.06Å
2R85.2Confident92Very high123 Ų12333.3 Ų33.346%0.46416%0.155SC..  trans-101.991.1-173.7-73.2177.7177.6171.7-11.8110.1C129 Q131 D249R2-C129 WeakPolarHBondContact CA-O 3.37Å; R2-Q131 HydrophobicContact CB-CB 4.11Å; R2-D249 IonicContact CZ-OD2 2.82Å; R2-D249 VanDerWaalsContact NH1-CB 3.31Å; R2-D249 IonicContact NH1-OD2 3.11Å; R2-D249 PolarHBondContact NH1-OD2 3.03Å
3E94.3Very high92.3Very high1 Ų130.7 Ų30.71%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-85.8150.8-173.7-57.482.8-15600112.7M1 N48 C127 D128 C129 Q131M1-E3 WeakPolarHBondContact CA-OE1 3.25Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; M1-E3 PolarHBondContact N-OE1 3.16Å; M1-E3 VanDerWaalsContact N-OE1 3.08Å; M1-E3 VanDerWaalsContact O-CD 3.26Å; M1-E3 VanDerWaalsContact O-OE2 3.1Å; E3-N48 VanDerWaalsContact CG-O 3.3Å; E3-N48 WeakPolarHBondContact CG-O 3.18Å; E3-C127 HydrophobicContact CB-CB 4.09Å; E3-D128 PolarHBondContact OE2-N 3.08Å; E3-C129 PolarHBondContact N-O 3.37Å; E3-C129 VanDerWaalsContact N-O 3.08Å; E3-C129 WeakPolarHBondContact OE2-CA 3.45Å; E3-C129 PolarHBondContact OE2-N 3.03Å; E3-Q131 WeakPolarHBondContact O-CB 3.38Å; E3-Q131 PolarHBondContact O-N 3.11Å
4I95.6Very high92.5Very high0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-125.5132.3-179.2-58168000108.7V49 Y50 Q131 G132 Q134 L240 L250I4-V49 HydrophobicContact CB-CG1 4.5Å; I4-V49 HydrophobicContact CD1-CG1 3.81Å; I4-V49 HydrophobicContact CG1-CG1 4.08Å; I4-V49 PolarHBondContact N-O 2.89Å; I4-Y50 HydrophobicContact CB-CD1 4.1Å; I4-Y50 HydrophobicContact CB-CE1 3.71Å; I4-Y50 HydrophobicContact CD1-CE1 4.19Å; I4-Y50 HydrophobicContact CG2-CD1 4.49Å; I4-Y50 HydrophobicContact CG2-CE1 3.75Å; I4-Q131 VanDerWaalsContact CD1-OE1 3.31Å; I4-Q131 HydrophobicContact CG1-CB 4.45Å; I4-G132 WeakPolarHBondContact CA-O 3.49Å; I4-Q134 HydrophobicContact CG2-CB 3.91Å; I4-L240 HydrophobicContact CD1-CB 4.31Å; I4-L240 HydrophobicContact CD1-CD1 3.52Å; I4-L240 HydrophobicContact CD1-CG 4.44Å; I4-L250 HydrophobicContact CD1-CD1 4.09Å; I4-L250 HydrophobicContact CD1-CG 4.36Å; I4-L250 HydrophobicContact CG1-CD1 4.23Å
5L97.3Very high92.7Very high0 Ų031.5 Ų31.50%015%0.147CC..EExtended strand (participates in β ladder)trans-92.6121.6171.4-171.467.3000110I7 R62 V64 V120 E123 L130 G132 F133 Q134L5-I7 HydrophobicContact CD2-CD1 4.39Å; L5-I7 HydrophobicContact CD2-CG1 4.39Å; L5-I7 HydrophobicContact CG-CG1 4.34Å; L5-R62 HydrophobicContact CD1-CB 4.12Å; L5-V64 HydrophobicContact CD1-CG2 4.16Å; L5-V64 HydrophobicContact CD2-CG2 4.08Å; L5-V64 HydrophobicContact CG-CG2 4.31Å; L5-V120 HydrophobicContact CD2-CB 4.26Å; L5-V120 HydrophobicContact CD2-CG1 3.86Å; L5-V120 HydrophobicContact CD2-CG2 4.28Å; L5-E123 HydrophobicContact CD1-CB 3.47Å; L5-E123 VanDerWaalsContact CD1-CB 3.47Å; L5-E123 HydrophobicContact CD1-CG 4.18Å; L5-E123 HydrophobicContact CD2-CB 4.19Å; L5-E123 HydrophobicContact CG-CB 4.5Å; L5-L130 HydrophobicContact CB-CD1 4.47Å; L5-G132 PolarHBondContact N-O 2.93Å; L5-F133 HydrophobicContact CB-CD1 3.87Å; L5-F133 HydrophobicContact CB-CE1 4.21Å; L5-F133 HydrophobicContact CD2-CD1 3.9Å; L5-F133 HydrophobicContact CD2-CE1 3.79Å; L5-F133 HydrophobicContact CG-CD1 4.38Å; L5-F133 WeakPolarHBondContact O-CA 3.4Å; L5-Q134 PolarHBondContact O-N 2.86Å
6H97.7Very high92.9Very high0 Ų029.6 Ų29.60%014%0.138CC..EExtended strand (participates in β ladder)trans-93.9122.5178.2-172.8-85.3000111Q8 F20 W21 R62 A63 V64 Q134H6-Q8 WeakPolarHBondContact CE1-CG 3.4Å; H6-Q8 PolarHBondContact CE1-NE2 2.88Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.32Å; H6-Q8 PolarHBondContact ND1-NE2 3.41Å; H6-F20 AromaticContact CD2-CE1 3.74Å; H6-F20 AromaticContact NE2-CD1 3.7Å; H6-F20 AromaticContact NE2-CE1 3.82Å; H6-W21 HydrophobicContact CB-CZ2 3.81Å; H6-W21 AromaticContact ND1-NE1 3.68Å; H6-R62 PolarHBondContact N-O 3.07Å; H6-A63 CarbonylContact O-C 3.47Å; H6-A63 WeakPolarHBondContact O-CA 3.5Å; H6-V64 PolarHBondContact O-N 3.41Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.49Å; H6-Q134 VanDerWaalsContact CD2-CD 3.42Å; H6-Q134 PolarHBondContact CD2-NE2 3.01Å
7I98.1Very high93Very high0 Ų027.8 Ų27.80%013%0.13CC..EExtended strand (participates in β ladder)trans-115.3132.7-177.2-56.7178.5000109.2L5 V64 V120 F133 Q134 V135 C136 L151 I155L5-I7 HydrophobicContact CD2-CD1 4.39Å; L5-I7 HydrophobicContact CD2-CG1 4.39Å; L5-I7 HydrophobicContact CG-CG1 4.34Å; I7-V64 CarbonylContact C-O 3.59Å; I7-V64 WeakPolarHBondContact CA-O 3.11Å; I7-V64 HydrophobicContact CG1-CB 4.32Å; I7-V120 HydrophobicContact CD1-CG2 3.94Å; I7-F133 HydrophobicContact CD1-CD1 4Å; I7-Q134 PolarHBondContact N-O 3.44Å; I7-V135 HydrophobicContact CB-CG2 4.21Å; I7-V135 HydrophobicContact CD1-CG2 4.43Å; I7-V135 CarbonylContact O-C 3.39Å; I7-V135 WeakPolarHBondContact O-CA 3.38Å; I7-C136 PolarHBondContact O-N 3.38Å; I7-L151 HydrophobicContact CD1-CD2 4.28Å; I7-L151 HydrophobicContact CG2-CD2 3.59Å; I7-I155 HydrophobicContact CD1-CD1 3.39Å
8Q97.1Very high93.1Very high0 Ų027.6 Ų27.60%013%0.134CC..EExtended strand (participates in β ladder)trans-118.6118.8-179.5-66.5166.420.400109.6H6 N14 G17 V64 L65 M66H6-Q8 WeakPolarHBondContact CE1-CG 3.4Å; H6-Q8 PolarHBondContact CE1-NE2 2.88Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.32Å; H6-Q8 PolarHBondContact ND1-NE2 3.41Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.45Å; Q8-G17 VanDerWaalsContact CD-CA 3.48Å; Q8-G17 VanDerWaalsContact NE2-CA 3.31Å; Q8-V64 PolarHBondContact N-O 3.29Å; Q8-L65 VanDerWaalsContact OE1-CD2 3.28Å; Q8-M66 WeakPolarHBondContact O-CG 3.44Å; Q8-M66 PolarHBondContact O-N 3.2Å
9G94.9Very high93.2Very high0 Ų029.6 Ų29.60%014%0.142CC..EExtended strand (participates in β ladder)trans-112.1119.8-175.500000113.4G13 C136G9-G13 PolarHBondContact O-N 3.45Å; G9-C136 PolarHBondContact N-O 3.08Å
10G94.2Very high93.3Very high1 Ų128.1 Ų28.11%0.0114%0.135CC..Hα-helixtrans71.3178174.300000114.2C12 G13 N14 M66G10-C12 PolarHBondContact O-N 3.45Å; G10-G13 PolarHBondContact O-N 3.2Å; G10-N14 WeakPolarHBondContact O-CB 3.46Å; G10-N14 PolarHBondContact O-N 3.17Å; G10-N14 PolarHBondContact O-ND2 3.44Å; G10-M66 PolarHBondContact N-O 3.28Å
11Q93.3Very high93.5Very high108 Ų10826.8 Ų26.851%0.50513%0.128SC..Hα-helixtrans-53-48.8-174.4-172.3-1774.900113.5Q15 D67Q11-Q15 WeakPolarHBondContact O-CB 3.42Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.33Å; Q11-Q15 PolarHBondContact O-N 3.49Å; Q11-D67 PolarHBondContact N-OD2 3.23Å; Q11-D67 VanDerWaalsContact N-OD2 3.16Å
12C93.3Very high94.9Very high35 Ų3523 Ų2324%0.23611%0.109CC..Hα-helixtrans-64.6-50-179.3-176.60000112.1G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.45Å; C12-N14 VanDerWaalsContact C-N 3.31Å; C12-N14 PolarHBondContact O-N 3.35Å; C12-Q15 PolarHBondContact O-N 2.78Å; C12-I16 WeakPolarHBondContact O-CG1 3.32Å; C12-I16 PolarHBondContact O-N 3.46Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å
13G95.3Very high95.3Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-61.3-39.5-179.300000112.7G9 G10 G17 C136G9-G13 PolarHBondContact O-N 3.45Å; G10-G13 PolarHBondContact O-N 3.2Å; G13-G17 WeakPolarHBondContact O-CA 3.44Å; G13-G17 PolarHBondContact O-N 3.21Å; G13-C136 WeakPolarHBondContact CA-O 3.38Å
14N95.9Very high95.3Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-66.8-41.8175.1-79.2-57000112.7Q8 G10 C12 G17 A18 M66 T72 M73 L76Q8-N14 WeakPolarHBondContact CB-OD1 3.45Å; G10-N14 WeakPolarHBondContact O-CB 3.46Å; G10-N14 PolarHBondContact O-N 3.17Å; G10-N14 PolarHBondContact O-ND2 3.44Å; C12-N14 VanDerWaalsContact C-N 3.31Å; C12-N14 PolarHBondContact O-N 3.35Å; N14-G17 PolarHBondContact O-N 2.77Å; N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 2.98Å; N14-M66 PolarHBondContact ND2-O 3.09Å; N14-T72 HydrophobicContact CB-CG2 3.56Å; N14-M73 VanDerWaalsContact ND2-CE 3.29Å; N14-M73 WeakPolarHBondContact ND2-CE 3.47Å; N14-L76 HydrophobicContact CB-CD1 3.62Å
15Q94.8Very high95.3Very high74 Ų7418.3 Ų18.335%0.3469%0.094SC..Hα-helixtrans-67.7-41.9178.1-73.4177.617.100112.8Q11 C12 K19Q11-Q15 WeakPolarHBondContact O-CB 3.42Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.33Å; Q11-Q15 PolarHBondContact O-N 3.49Å; C12-Q15 PolarHBondContact O-N 2.78Å; Q15-K19 PolarHBondContact O-N 3.47Å
16I96Very high95.1Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-63.9-46.6173.5-68.1166.3000109.6C12 A18 K19 F20 C136 V169 N226 I229 M233C12-I16 WeakPolarHBondContact O-CG1 3.32Å; C12-I16 PolarHBondContact O-N 3.46Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å; I16-A18 PolarHBondContact O-N 2.93Å; I16-K19 PolarHBondContact O-N 3.41Å; I16-K19 VanDerWaalsContact O-N 3.15Å; I16-F20 WeakPolarHBondContact O-CB 3.26Å; I16-F20 PolarHBondContact O-N 3.01Å; I16-C136 WeakPolarHBondContact CG2-SG 3.23Å; I16-V169 HydrophobicContact CD1-CG2 3.51Å; I16-N226 HydrophobicContact CG1-CB 4.22Å; I16-N226 VanDerWaalsContact CG1-OD1 3.25Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.5Å; I16-I229 HydrophobicContact CD1-CD1 3.64Å; I16-I229 HydrophobicContact CD1-CG2 4.39Å; I16-I229 HydrophobicContact CG1-CD1 4.1Å; I16-I229 HydrophobicContact CG2-CB 4.32Å; I16-I229 HydrophobicContact CG2-CG2 3.54Å; I16-M233 HydrophobicContact CG2-SD 3.52Å; I16-M233 VanDerWaalsContact CG2-SD 3.52Å
17G95.2Very high94.8Very high0 Ų020.4 Ų20.40%011%0.111CC..Hα-helixtrans-58.6-42.6178.800000113.4Q8 G13 N14 K19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.48Å; Q8-G17 VanDerWaalsContact NE2-CA 3.31Å; G13-G17 WeakPolarHBondContact O-CA 3.44Å; G13-G17 PolarHBondContact O-N 3.21Å; N14-G17 PolarHBondContact O-N 2.77Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.78Å; G17-F20 WeakPolarHBondContact O-CB 3.27Å; G17-F20 PolarHBondContact O-N 3.5Å; G17-W21 PolarHBondContact O-N 3.43Å
18A94.6Very high94.6Very high24 Ų2420.5 Ų20.520%0.19811%0.111CC..Hα-helixtrans-57.3-47.5174.600000111.1N14 I16 W21 E22 L76N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 2.98Å; I16-A18 PolarHBondContact O-N 2.93Å; A18-W21 PolarHBondContact O-N 3.42Å; A18-E22 WeakPolarHBondContact O-CG 3.35Å; A18-E22 PolarHBondContact O-N 3.23Å; A18-L76 HydrophobicContact CB-CD2 3.37Å
19K94.7Very high94.4Very high65 Ų6521 Ų2128%0.28312%0.116SC..Hα-helixtrans-67.5-38.1179.4-168.469.8-160.9162.80112.1Q15 I16 G17 E22 V23 S230Q15-K19 PolarHBondContact O-N 3.47Å; I16-K19 PolarHBondContact O-N 3.41Å; I16-K19 VanDerWaalsContact O-N 3.15Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.78Å; K19-E22 WeakPolarHBondContact CD-OE2 3.33Å; K19-E22 IonicContact NZ-OE2 3.03Å; K19-E22 PolarHBondContact NZ-OE2 3.07Å; K19-E22 WeakPolarHBondContact O-CB 3.48Å; K19-E22 PolarHBondContact O-N 3.09Å; K19-V23 WeakPolarHBondContact O-CG2 3.48Å; K19-V23 PolarHBondContact O-N 3.46Å; K19-S230 WeakPolarHBondContact CG-OG 3.4Å
20F96.1Very high94.4Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-60.2-47.8173.7173.6-110.7000111.4H6 I16 G17 E22 V23 V24 Y50 M233H6-F20 AromaticContact CD2-CE1 3.74Å; H6-F20 AromaticContact NE2-CD1 3.7Å; H6-F20 AromaticContact NE2-CE1 3.82Å; I16-F20 WeakPolarHBondContact O-CB 3.26Å; I16-F20 PolarHBondContact O-N 3.01Å; G17-F20 WeakPolarHBondContact O-CB 3.27Å; G17-F20 PolarHBondContact O-N 3.5Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 3.08Å; F20-V23 WeakPolarHBondContact O-CB 3.31Å; F20-V23 PolarHBondContact O-N 2.8Å; F20-V23 VanDerWaalsContact O-N 3.1Å; F20-V24 HydrophobicContact CD1-CG2 4.24Å; F20-V24 HydrophobicContact CD2-CG2 3.91Å; F20-V24 HydrophobicContact CE1-CG2 3.86Å; F20-V24 HydrophobicContact CE2-CG2 3.49Å; F20-V24 VanDerWaalsContact CE2-CG2 3.49Å; F20-V24 HydrophobicContact CG-CG2 4.28Å; F20-V24 HydrophobicContact CZ-CG2 3.48Å; F20-V24 VanDerWaalsContact CZ-CG2 3.48Å; F20-V24 WeakPolarHBondContact O-CG2 3.18Å; F20-V24 PolarHBondContact O-N 2.89Å; F20-Y50 HydrophobicContact CE1-CE2 4.33Å; F20-Y50 AromaticContact CZ-CE2 3.87Å; F20-Y50 HydrophobicContact CZ-CE2 3.87Å; F20-M233 HydrophobicContact CB-CE 4.19Å; F20-M233 HydrophobicContact CB-SD 4.31Å; F20-M233 HydrophobicContact CD1-CE 4.13Å; F20-M233 HydrophobicContact CD2-CB 3.56Å; F20-M233 HydrophobicContact CD2-CE 4.05Å; F20-M233 HydrophobicContact CD2-SD 4.32Å; F20-M233 HydrophobicContact CE2-CB 3.68Å; F20-M233 HydrophobicContact CE2-CE 4.45Å; F20-M233 HydrophobicContact CG-CB 4.47Å; F20-M233 HydrophobicContact CG-CE 3.86Å; F20-M233 HydrophobicContact CG-SD 4.38Å
21W95.8Very high94.3Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-66.5-32.8177.7-76.2111000113.3H6 G17 A18 V23 V24 C25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.81Å; H6-W21 AromaticContact ND1-NE1 3.68Å; G17-W21 PolarHBondContact O-N 3.43Å; A18-W21 PolarHBondContact O-N 3.42Å; W21-V23 VanDerWaalsContact C-N 3.3Å; W21-V23 PolarHBondContact O-N 3.34Å; W21-V24 HydrophobicContact CE3-CB 4.35Å; W21-V24 HydrophobicContact CE3-CG1 4.26Å; W21-V24 HydrophobicContact CZ3-CG1 4.21Å; W21-V24 PolarHBondContact O-N 3.23Å; W21-C25 WeakPolarHBondContact O-CB 3.48Å; W21-C25 PolarHBondContact O-N 3.33Å; W21-C25 PolarHBondContact O-SG 3.45Å; W21-Y50 HydrophobicContact CH2-CD1 4.37Å; W21-Y50 HydrophobicContact CH2-CG 4.04Å; W21-Y50 HydrophobicContact CZ3-CG 4.45Å; W21-Y51 HydrophobicContact CE3-CE1 4.46Å; W21-Y51 HydrophobicContact CZ3-CE1 4.07Å; W21-Y51 HydrophobicContact CZ3-CE2 4.05Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; W21-P61 HydrophobicContact CD2-CB 4.09Å; W21-P61 HydrophobicContact CD2-CG 4.36Å; W21-P61 HydrophobicContact CE3-CB 3.89Å; W21-P61 HydrophobicContact CE3-CG 3.98Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.45Å; W21-P61 HydrophobicContact CZ2-CB 3.76Å; W21-P61 HydrophobicContact CZ3-CB 3.63Å; W21-P61 HydrophobicContact CZ3-CG 4.04Å; W21-A63 HydrophobicContact CZ2-CB 3.75Å; W21-F85 HydrophobicContact CB-CE1 4.4Å; W21-F85 HydrophobicContact CB-CZ 3.76Å; W21-F85 AromaticContact CD1-CE1 3.47Å; W21-F85 VanDerWaalsContact CD1-CE1 3.47Å; W21-F85 AromaticContact CD1-CZ 3.4Å; W21-F85 VanDerWaalsContact CD1-CZ 3.4Å; W21-F85 HydrophobicContact CD2-CE1 4.06Å; W21-F85 HydrophobicContact CD2-CZ 4.32Å; W21-F85 AromaticContact CG-CE1 3.74Å; W21-F85 HydrophobicContact CG-CE1 3.74Å; W21-F85 AromaticContact CG-CZ 3.55Å; W21-F85 HydrophobicContact CG-CZ 3.55Å; W21-F85 AromaticContact NE1-CE1 3.62Å
22E94.4Very high94.3Very high52 Ų5220.7 Ų20.724%0.24312%0.121CC..Hα-helixtrans-56.8-45.8169-74.4176.7-168.400111.6A18 K19 F20 A26 Y81A18-E22 WeakPolarHBondContact O-CG 3.35Å; A18-E22 PolarHBondContact O-N 3.23Å; K19-E22 WeakPolarHBondContact CD-OE2 3.33Å; K19-E22 IonicContact NZ-OE2 3.03Å; K19-E22 PolarHBondContact NZ-OE2 3.07Å; K19-E22 WeakPolarHBondContact O-CB 3.48Å; K19-E22 PolarHBondContact O-N 3.09Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 3.08Å; E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.19Å; E22-A26 VanDerWaalsContact O-N 3.08Å; E22-Y81 HydrophobicContact CB-CD2 4.32Å; E22-Y81 HydrophobicContact CB-CE2 4.23Å; E22-Y81 HydrophobicContact CG-CD2 3.57Å; E22-Y81 HydrophobicContact CG-CE2 3.83Å
23V93.9Very high94.2Very high26 Ų2622.5 Ų22.516%0.15813%0.131CC..Hα-helixtrans-67.5-48.1179.6174.10000110.8K19 F20 W21 A26 E27K19-V23 WeakPolarHBondContact O-CG2 3.48Å; K19-V23 PolarHBondContact O-N 3.46Å; F20-V23 WeakPolarHBondContact O-CB 3.31Å; F20-V23 PolarHBondContact O-N 2.8Å; F20-V23 VanDerWaalsContact O-N 3.1Å; W21-V23 VanDerWaalsContact C-N 3.3Å; W21-V23 PolarHBondContact O-N 3.34Å; V23-A26 PolarHBondContact O-N 3.03Å; V23-E27 HydrophobicContact CG1-CG 4.44Å; V23-E27 WeakPolarHBondContact O-CG 3.33Å; V23-E27 PolarHBondContact O-N 3.43Å
24V94.3Very high94.1Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-64.3-43.2-179.1175.20000111F20 W21 A26 E27 H28 Y50 Y51F20-V24 HydrophobicContact CD1-CG2 4.24Å; F20-V24 HydrophobicContact CD2-CG2 3.91Å; F20-V24 HydrophobicContact CE1-CG2 3.86Å; F20-V24 HydrophobicContact CE2-CG2 3.49Å; F20-V24 VanDerWaalsContact CE2-CG2 3.49Å; F20-V24 HydrophobicContact CG-CG2 4.28Å; F20-V24 HydrophobicContact CZ-CG2 3.48Å; F20-V24 VanDerWaalsContact CZ-CG2 3.48Å; F20-V24 WeakPolarHBondContact O-CG2 3.18Å; F20-V24 PolarHBondContact O-N 2.89Å; W21-V24 HydrophobicContact CE3-CB 4.35Å; W21-V24 HydrophobicContact CE3-CG1 4.26Å; W21-V24 HydrophobicContact CZ3-CG1 4.21Å; W21-V24 PolarHBondContact O-N 3.23Å; V24-A26 VanDerWaalsContact C-N 3.34Å; V24-A26 PolarHBondContact O-N 2.98Å; V24-E27 PolarHBondContact O-N 2.9Å; V24-H28 PolarHBondContact O-CD2 2.93Å; V24-H28 VanDerWaalsContact O-CD2 3.3Å; V24-H28 PolarHBondContact O-N 3.36Å; V24-Y50 HydrophobicContact CG1-CD2 4.1Å; V24-Y51 HydrophobicContact CG1-CE2 3.93Å
25C94.7Very high94Very high0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-58.6-46.4174.3-75.50000111W21 E27 H28 G29 I30 Y51 Y81W21-C25 WeakPolarHBondContact O-CB 3.48Å; W21-C25 PolarHBondContact O-N 3.33Å; W21-C25 PolarHBondContact O-SG 3.45Å; C25-E27 VanDerWaalsContact C-N 3.33Å; C25-E27 PolarHBondContact O-N 3.03Å; C25-H28 CarbonylContact O-C 3.48Å; C25-H28 PolarHBondContact O-N 3.08Å; C25-G29 PolarHBondContact O-N 3.01Å; C25-I30 HydrophobicContact CB-CB 4.2Å; C25-I30 PolarHBondContact O-N 3.42Å; C25-Y51 WeakPolarHBondContact CA-OH 2.92Å; C25-Y51 PolarHBondContact N-OH 3.19Å; C25-Y51 PolarHBondContact SG-OH 3.41Å; C25-Y81 HydrophobicContact CB-CD1 3.92Å; C25-Y81 HydrophobicContact CB-CE1 3.46Å; C25-Y81 VanDerWaalsContact CB-CE1 3.46Å
26A92.6Very high93.9Very high39 Ų3929 Ų2932%0.32215%0.153SC..Hα-helixtrans-62.4-39.3177.500000112.6E22 V23 V24 G29 T359E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.19Å; E22-A26 VanDerWaalsContact O-N 3.08Å; V23-A26 PolarHBondContact O-N 3.03Å; V24-A26 VanDerWaalsContact C-N 3.34Å; V24-A26 PolarHBondContact O-N 2.98Å; A26-G29 PolarHBondContact O-N 2.9Å; A26-T359 HydrophobicContact CB-CG2 4.32Å
27E92.3Very high93.8Very high5 Ų533.6 Ų33.62%0.02318%0.181CC..Hα-helixtrans-68.5-35.6178.2-72.1-176.3-176.300112.8V23 V24 C25 G29 Q43 S234 R241 F242 R318V23-E27 HydrophobicContact CG1-CG 4.44Å; V23-E27 WeakPolarHBondContact O-CG 3.33Å; V23-E27 PolarHBondContact O-N 3.43Å; V24-E27 PolarHBondContact O-N 2.9Å; C25-E27 VanDerWaalsContact C-N 3.33Å; C25-E27 PolarHBondContact O-N 3.03Å; E27-G29 VanDerWaalsContact C-N 3.32Å; E27-Q43 WeakPolarHBondContact O-CG 3.22Å; E27-Q43 PolarHBondContact O-NE2 3.46Å; E27-S234 PolarHBondContact OE1-OG 2.91Å; E27-S234 PolarHBondContact OE2-OG 2.99Å; E27-S234 VanDerWaalsContact OE2-OG 3.1Å; E27-R241 IonicContact OE2-CZ 3.44Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.76Å; E27-R241 PolarHBondContact OE2-NH1 2.81Å; E27-R241 IonicContact OE2-NH2 3.86Å; E27-R241 PolarHBondContact OE2-NH2 2.9Å; E27-F242 HydrophobicContact CB-CE2 4.33Å; E27-F242 HydrophobicContact CB-CZ 3.98Å; E27-R318 IonicContact OE1-CZ 2.93Å; E27-R318 IonicContact OE1-NH1 3.54Å; E27-R318 PolarHBondContact OE1-NH1 3.39Å; E27-R318 IonicContact OE1-NH2 3.41Å; E27-R318 PolarHBondContact OE1-NH2 3.3Å; E27-R318 IonicContact OE2-CZ 3.49Å; E27-R318 IonicContact OE2-NH1 2.77Å; E27-R318 PolarHBondContact OE2-NH1 3.27Å; E27-R318 IonicContact OE2-NH2 3.82Å; E27-R318 PolarHBondContact OE2-NH2 3.17Å
28H93Very high93.4Very high1 Ų134.7 Ų34.71%0.00519%0.193CC..THydrogen-bonded Turntrans-87.24175.5-73.9-76.9000113.8V24 C25 I30 Y36 Q43 I47 R241 F242V24-H28 PolarHBondContact O-CD2 2.93Å; V24-H28 VanDerWaalsContact O-CD2 3.3Å; V24-H28 PolarHBondContact O-N 3.36Å; C25-H28 CarbonylContact O-C 3.48Å; C25-H28 PolarHBondContact O-N 3.08Å; H28-I30 VanDerWaalsContact C-N 3.26Å; H28-I30 HydrophobicContact CB-CG1 3.97Å; H28-I30 PolarHBondContact O-N 3.07Å; H28-Y36 WeakPolarHBondContact O-CD2 3.49Å; H28-Y36 WeakPolarHBondContact O-CE2 3.4Å; H28-Q43 PolarHBondContact ND1-O 2.63Å; H28-I47 HydrophobicContact CB-CD1 4.18Å; H28-I47 HydrophobicContact CB-CG1 4.45Å; H28-R241 WeakPolarHBondContact NE2-CD 3.21Å; H28-R241 PolarHBondContact NE2-NH1 2.7Å; H28-F242 AromaticContact CE1-CE1 3.47Å; H28-F242 VanDerWaalsContact CE1-CE1 3.47Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.41Å; H28-F242 AromaticContact CE1-CZ 3.74Å; H28-F242 AromaticContact ND1-CE1 3.8Å; H28-F242 AromaticContact NE2-CZ 3.8Å
29G92.8Very high93.1Very high11 Ų1141 Ų4111%0.11322%0.223CC..THydrogen-bonded Turntrans64.729.3-17900000113.4C25 A26 E27 Y36 T37 G38C25-G29 PolarHBondContact O-N 3.01Å; A26-G29 PolarHBondContact O-N 2.9Å; E27-G29 VanDerWaalsContact C-N 3.32Å; G29-Y36 WeakPolarHBondContact O-CA 3.33Å; G29-T37 PolarHBondContact O-N 2.98Å; G29-T37 PolarHBondContact O-OG1 3.22Å; G29-G38 PolarHBondContact O-N 3.48Å
30I94.4Very high92.8Very high4 Ų439.8 Ų39.82%0.02122%0.223CC..BIsolated β-bridgetrans-93.1123.3178.8-57.8-53.2000110.1C25 H28 R35 Y36 I47 F59C25-I30 HydrophobicContact CB-CB 4.2Å; C25-I30 PolarHBondContact O-N 3.42Å; H28-I30 VanDerWaalsContact C-N 3.26Å; H28-I30 HydrophobicContact CB-CG1 3.97Å; H28-I30 PolarHBondContact O-N 3.07Å; I30-R35 WeakPolarHBondContact CA-O 3.41Å; I30-Y36 HydrophobicContact CD1-CD2 4.19Å; I30-I47 HydrophobicContact CD1-CD1 3.78Å; I30-I47 HydrophobicContact CG1-CD1 4.07Å; I30-F59 HydrophobicContact CD1-CB 4.05Å; I30-F59 HydrophobicContact CD1-CD2 3.49Å; I30-F59 VanDerWaalsContact CD1-CD2 3.49Å; I30-F59 HydrophobicContact CD1-CE2 4.23Å; I30-F59 HydrophobicContact CD1-CG 3.95Å; I30-F59 HydrophobicContact CG1-CB 4.46Å
31D93.7Very high92.3Very high36 Ų3646.4 Ų46.419%0.19326%0.259CS..  trans-78.6169.6177.480.26.1000112.1T33 G34 R35 T37D31-T33 VanDerWaalsContact CG-OG1 3.3Å; D31-T33 PolarHBondContact O-N 2.88Å; D31-T33 VanDerWaalsContact OD1-CA 3.27Å; D31-T33 WeakPolarHBondContact OD1-CA 3.43Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 PolarHBondContact OD1-N 3.39Å; D31-T33 PolarHBondContact OD1-OG1 3.38Å; D31-T33 PolarHBondContact OD2-OG1 3.03Å; D31-G34 PolarHBondContact O-N 3.18Å; D31-G34 PolarHBondContact OD1-N 2.88Å; D31-G34 VanDerWaalsContact OD1-N 3.07Å; D31-R35 PolarHBondContact N-O 3.21Å; D31-R35 PolarHBondContact OD1-N 2.86Å; D31-T37 HydrophobicContact CB-CG2 4.13Å
32P93.1Very high91.9Very high63 Ų6349.7 Ų49.741%0.40928%0.276SS..THydrogen-bonded Turntrans-56.8-15.8175.4-32.540.5000116.3G34 P80 Y81 T84P32-G34 VanDerWaalsContact C-N 3.34Å; P32-P80 WeakPolarHBondContact CB-O 3.4Å; P32-Y81 HydrophobicContact CG-CE1 4.15Å; P32-T84 WeakPolarHBondContact O-CG2 3.43Å
33T91Very high91.7Very high73 Ų7348.5 Ų48.545%0.44827%0.27SS..THydrogen-bonded Turntrans-87.8-8.8175.577.80000112.3D31 R35 R58D31-T33 VanDerWaalsContact CG-OG1 3.3Å; D31-T33 PolarHBondContact O-N 2.88Å; D31-T33 VanDerWaalsContact OD1-CA 3.27Å; D31-T33 WeakPolarHBondContact OD1-CA 3.43Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 PolarHBondContact OD1-N 3.39Å; D31-T33 PolarHBondContact OD1-OG1 3.38Å; D31-T33 PolarHBondContact OD2-OG1 3.03Å; T33-R35 WeakPolarHBondContact OG1-CG 3.44Å; T33-R58 PolarHBondContact O-NE 3.4Å
34G92.4Very high91.5Very high0 Ų049.9 Ų49.90%028%0.276CS..SBendtrans85.516-174.300000112.7D31 P32 R58 F59D31-G34 PolarHBondContact O-N 3.18Å; D31-G34 PolarHBondContact OD1-N 2.88Å; D31-G34 VanDerWaalsContact OD1-N 3.07Å; P32-G34 VanDerWaalsContact C-N 3.34Å; G34-R58 CarbonylContact O-C 3.49Å; G34-R58 WeakPolarHBondContact O-CA 3.46Å; G34-F59 PolarHBondContact O-N 2.89Å
35R94.1Very high91.2Very high146 Ų14654.7 Ų54.755%0.55130%0.299SS*.BIsolated β-bridgetrans-97.4145.3178.8-71.9-179173.1-179.60.2110.8I30 D31 T33 T37I30-R35 WeakPolarHBondContact CA-O 3.41Å; D31-R35 PolarHBondContact N-O 3.21Å; D31-R35 PolarHBondContact OD1-N 2.86Å; T33-R35 WeakPolarHBondContact OG1-CG 3.44Å; R35-T37 PolarHBondContact O-N 3.09Å
36Y94Very high91Very high63 Ų6357.6 Ų57.625%0.24731%0.31CS..BIsolated β-bridgetrans-74.3122.5172.7178.6-105.7000111H28 G29 I30 G38 D39 S40 Q43 L44H28-Y36 WeakPolarHBondContact O-CD2 3.49Å; H28-Y36 WeakPolarHBondContact O-CE2 3.4Å; G29-Y36 WeakPolarHBondContact O-CA 3.33Å; I30-Y36 HydrophobicContact CD1-CD2 4.19Å; Y36-G38 VanDerWaalsContact CE2-CA 3.46Å; Y36-G38 VanDerWaalsContact CZ-C 3.47Å; Y36-G38 VanDerWaalsContact CZ-CA 3.41Å; Y36-G38 PolarHBondContact OH-O 3.25Å; Y36-D39 PolarHBondContact OH-N 3.43Å; Y36-S40 PolarHBondContact OH-N 3.14Å; Y36-S40 PolarHBondContact OH-O 3Å; Y36-Q43 HydrophobicContact CE2-CB 3.99Å; Y36-Q43 PolarHBondContact OH-OE1 3.34Å; Y36-L44 HydrophobicContact CD1-CD1 3.99Å; Y36-L44 HydrophobicContact CD1-CD2 4.35Å; Y36-L44 HydrophobicContact CD1-CG 4.46Å; Y36-L44 HydrophobicContact CD2-CD1 4.47Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4.06Å; Y36-L44 HydrophobicContact CE1-CD1 3.8Å; Y36-L44 HydrophobicContact CE1-CG 4.25Å; Y36-L44 HydrophobicContact CE2-CD1 4.29Å; Y36-L44 HydrophobicContact CE2-CD2 3.82Å; Y36-L44 HydrophobicContact CE2-CG 3.82Å; Y36-L44 HydrophobicContact CG-CD1 4.31Å; Y36-L44 HydrophobicContact CG-CD2 3.82Å; Y36-L44 HydrophobicContact CG-CG 4.35Å
37T92.7Very high91Very high97 Ų9756.3 Ų56.360%0.59530%0.297SS*.  trans-12617.3173.4640000111.6G29 D31 R35G29-T37 PolarHBondContact O-N 2.98Å; G29-T37 PolarHBondContact O-OG1 3.22Å; D31-T37 HydrophobicContact CB-CG2 4.13Å; R35-T37 PolarHBondContact O-N 3.09Å
38G87.8Confident91Very high23 Ų2357.3 Ų57.324%0.23730%0.303CS..  trans-73.9172.6179.400000113.3G29 Y36 Q43G29-G38 PolarHBondContact O-N 3.48Å; Y36-G38 VanDerWaalsContact CE2-CA 3.46Å; Y36-G38 VanDerWaalsContact CZ-C 3.47Å; Y36-G38 VanDerWaalsContact CZ-CA 3.41Å; Y36-G38 PolarHBondContact OH-O 3.25Å; G38-Q43 VanDerWaalsContact CA-OE1 3.27Å
39D87.6Confident91.1Very high156 Ų15657.6 Ų57.683%0.83431%0.305SS*.SBendtrans-119.73.1-175.264.7-11.8000113.3Y36Y36-D39 PolarHBondContact OH-N 3.43Å
40S87.3Confident91.2Very high41 Ų4157.1 Ų57.129%0.28730%0.299SS..  trans-135.3126-175.8-176.40000112.6Y36 L42 Q43Y36-S40 PolarHBondContact OH-N 3.14Å; Y36-S40 PolarHBondContact OH-O 3Å; S40-L42 PolarHBondContact O-N 3.46Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.41Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.27Å; S40-Q43 PolarHBondContact O-N 2.84Å
41D87.2Confident91.2Very high139 Ų13957 Ų5774%0.74330%0.299SS*.G310 helixtrans-58-26176.4-62-29.5000113Q43 L44 E45D41-Q43 PolarHBondContact O-N 3.48Å; D41-L44 PolarHBondContact O-N 3.35Å; D41-E45 PolarHBondContact O-N 2.94Å
42L86.9Confident91.2Very high69 Ų6957.9 Ų57.936%0.36130%0.303SS..G310 helixtrans-61.9-24.1175.6-60.5174000112.6S40 L44 P243 I356S40-L42 PolarHBondContact O-N 3.46Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.41Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-P243 HydrophobicContact CD2-CG 3.9Å; L42-I356 HydrophobicContact CB-CD1 3.85Å
43Q89.1Confident91.2Very high26 Ų2661.1 Ų61.112%0.12131%0.313CS..G310 helixtrans-71-25175.2-63.6-179.4-57.300112.2E27 H28 Y36 G38 S40 D41E27-Q43 WeakPolarHBondContact O-CG 3.22Å; E27-Q43 PolarHBondContact O-NE2 3.46Å; H28-Q43 PolarHBondContact ND1-O 2.63Å; Y36-Q43 HydrophobicContact CE2-CB 3.99Å; Y36-Q43 PolarHBondContact OH-OE1 3.34Å; G38-Q43 VanDerWaalsContact CA-OE1 3.27Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.27Å; S40-Q43 PolarHBondContact O-N 2.84Å; D41-Q43 PolarHBondContact O-N 3.48Å
44L90.8Very high91.1Very high55 Ų5559.3 Ų59.329%0.28831%0.305SS..THydrogen-bonded Turntrans-96-23.4-178.7-66.9178.5000113.1Y36 D41 L42 R46 I47 F59Y36-L44 HydrophobicContact CD1-CD1 3.99Å; Y36-L44 HydrophobicContact CD1-CD2 4.35Å; Y36-L44 HydrophobicContact CD1-CG 4.46Å; Y36-L44 HydrophobicContact CD2-CD1 4.47Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4.06Å; Y36-L44 HydrophobicContact CE1-CD1 3.8Å; Y36-L44 HydrophobicContact CE1-CG 4.25Å; Y36-L44 HydrophobicContact CE2-CD1 4.29Å; Y36-L44 HydrophobicContact CE2-CD2 3.82Å; Y36-L44 HydrophobicContact CE2-CG 3.82Å; Y36-L44 HydrophobicContact CG-CD1 4.31Å; Y36-L44 HydrophobicContact CG-CD2 3.82Å; Y36-L44 HydrophobicContact CG-CG 4.35Å; D41-L44 PolarHBondContact O-N 3.35Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.14Å; L44-I47 HydrophobicContact CD2-CD1 3.85Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 2.82Å; L44-I47 VanDerWaalsContact O-N 3.16Å; L44-F59 HydrophobicContact CD2-CE2 4.21Å; L44-F59 HydrophobicContact CD2-CZ 3.97Å
45E88.3Confident90.7Very high101 Ų10164.2 Ų64.247%0.47234%0.34SS..THydrogen-bonded Turntrans-54.2-39.8-167.8-169.5179.7146.500114.8D41 P243D41-E45 PolarHBondContact O-N 2.94Å; E45-P243 WeakPolarHBondContact OE2-CG 3.38Å
46R90.2Very high90.3Very high62 Ų6262.7 Ų62.723%0.23435%0.35CS..THydrogen-bonded Turntrans-126.630.4175-44.3-179.5176177.6-0.5112.9L44 N48 V49 C239 L240 R241 F242L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.14Å; R46-N48 PolarHBondContact O-N 2.98Å; R46-V49 HydrophobicContact CB-CG2 3.98Å; R46-V49 WeakPolarHBondContact O-CB 3.23Å; R46-V49 VanDerWaalsContact O-CG2 3.27Å; R46-V49 WeakPolarHBondContact O-CG2 3.14Å; R46-V49 PolarHBondContact O-N 2.81Å; R46-C239 PolarHBondContact NH1-O 2.93Å; R46-L240 VanDerWaalsContact CD-O 3.23Å; R46-L240 WeakPolarHBondContact CD-O 3.33Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; R46-F242 PolarHBondContact NH1-O 2.88Å
47I92.4Very high89.9Confident11 Ų1161.3 Ų61.36%0.05636%0.355CS..G310 helixtrans-58.8-32.4-179.6-165.9165.4000112.2H28 I30 L44 V49 Y50 Y51 F59H28-I47 HydrophobicContact CB-CD1 4.18Å; H28-I47 HydrophobicContact CB-CG1 4.45Å; I30-I47 HydrophobicContact CD1-CD1 3.78Å; I30-I47 HydrophobicContact CG1-CD1 4.07Å; L44-I47 HydrophobicContact CD2-CD1 3.85Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 2.82Å; L44-I47 VanDerWaalsContact O-N 3.16Å; I47-V49 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact O-N 3.11Å; I47-Y50 PolarHBondContact O-N 2.81Å; I47-Y51 HydrophobicContact CD1-CD2 4.34Å; I47-Y51 HydrophobicContact CG1-CD2 3.55Å; I47-Y51 HydrophobicContact CG1-CE2 4.27Å; I47-Y51 HydrophobicContact CG1-CG 4.03Å; I47-Y51 WeakPolarHBondContact O-CB 3.38Å; I47-Y51 WeakPolarHBondContact O-CD2 3.38Å; I47-Y51 PolarHBondContact O-N 2.68Å; I47-F59 HydrophobicContact CD1-CB 4.46Å; I47-F59 HydrophobicContact CD1-CD1 3.63Å; I47-F59 HydrophobicContact CD1-CD2 4.14Å; I47-F59 HydrophobicContact CD1-CE1 3.83Å; I47-F59 HydrophobicContact CD1-CE2 4.31Å; I47-F59 HydrophobicContact CD1-CG 3.79Å; I47-F59 HydrophobicContact CD1-CZ 4.16Å; I47-F59 HydrophobicContact CG1-CD1 4.1Å; I47-F59 HydrophobicContact CG1-CE1 4.36Å; I47-F59 HydrophobicContact CG2-CD1 4.17Å; I47-F59 HydrophobicContact CG2-CE1 3.7Å; I47-F59 HydrophobicContact CG2-CZ 4.45Å
48N92.9Very high90Very high27 Ų2761 Ų6114%0.14434%0.343CS..G310 helixtrans-65.2-14.7-178.462.7-57.2000114.4M1 E3 R46 Y50 Y51 R62M1-N48 WeakPolarHBondContact CB-ND2 3.39Å; M1-N48 VanDerWaalsContact CE-ND2 3.26Å; M1-N48 WeakPolarHBondContact CE-ND2 3.37Å; M1-N48 PolarHBondContact SD-ND2 3.26Å; M1-N48 PolarHBondContact SD-OD1 2.77Å; E3-N48 VanDerWaalsContact CG-O 3.3Å; E3-N48 WeakPolarHBondContact CG-O 3.18Å; R46-N48 PolarHBondContact O-N 2.98Å; N48-Y50 PolarHBondContact O-N 2.86Å; N48-Y51 CarbonylContact C-O 3.52Å; N48-Y51 VanDerWaalsContact CA-O 3.22Å; N48-Y51 WeakPolarHBondContact CA-O 3.47Å; N48-Y51 VanDerWaalsContact O-O 3.13Å; N48-R62 PolarHBondContact O-NE 3.42Å
49V93.6Very high90.3Very high7 Ų760.8 Ų60.84%0.04234%0.335CS..G310 helixtrans-54.6-42.2172172.30000110.7I4 R46 I47 L240 R241I4-V49 HydrophobicContact CB-CG1 4.5Å; I4-V49 HydrophobicContact CD1-CG1 3.81Å; I4-V49 HydrophobicContact CG1-CG1 4.08Å; I4-V49 PolarHBondContact N-O 2.89Å; R46-V49 HydrophobicContact CB-CG2 3.98Å; R46-V49 WeakPolarHBondContact O-CB 3.23Å; R46-V49 VanDerWaalsContact O-CG2 3.27Å; R46-V49 WeakPolarHBondContact O-CG2 3.14Å; R46-V49 PolarHBondContact O-N 2.81Å; I47-V49 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact O-N 3.11Å; V49-L240 HydrophobicContact CG1-CB 4.38Å; V49-R241 HydrophobicContact CG1-CG 4.48Å
50Y95.4Very high90.7Very high1 Ų154.4 Ų54.40%0.00430%0.302CS..THydrogen-bonded Turntrans-117.5-13.1-179.4-83.1-31.1000114.8I4 F20 W21 V24 I47 N48 P61 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CD1 4.1Å; I4-Y50 HydrophobicContact CB-CE1 3.71Å; I4-Y50 HydrophobicContact CD1-CE1 4.19Å; I4-Y50 HydrophobicContact CG2-CD1 4.49Å; I4-Y50 HydrophobicContact CG2-CE1 3.75Å; F20-Y50 HydrophobicContact CE1-CE2 4.33Å; F20-Y50 AromaticContact CZ-CE2 3.87Å; F20-Y50 HydrophobicContact CZ-CE2 3.87Å; W21-Y50 HydrophobicContact CH2-CD1 4.37Å; W21-Y50 HydrophobicContact CH2-CG 4.04Å; W21-Y50 HydrophobicContact CZ3-CG 4.45Å; V24-Y50 HydrophobicContact CG1-CD2 4.1Å; I47-Y50 PolarHBondContact O-N 2.81Å; N48-Y50 PolarHBondContact O-N 2.86Å; Y50-P61 CarbonylContact O-C 3.59Å; Y50-R62 WeakPolarHBondContact O-CB 3.3Å; Y50-R62 PolarHBondContact O-N 3.17Å; Y50-Q134 PolarHBondContact OH-OE1 2.87Å; Y50-T237 VanDerWaalsContact OH-CB 3.3Å; Y50-T237 WeakPolarHBondContact OH-CB 3.38Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.34Å; Y50-R241 HydrophobicContact CD2-CG 3.79Å; Y50-R241 HydrophobicContact CE2-CG 3.75Å
51Y95.7Very high91.1Very high1 Ų152.5 Ų52.50%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-115.8147.9-178.7-63.9-93.6000111W21 V24 C25 I47 N48 F59 V60 P61 R62W21-Y51 HydrophobicContact CE3-CE1 4.46Å; W21-Y51 HydrophobicContact CZ3-CE1 4.07Å; W21-Y51 HydrophobicContact CZ3-CE2 4.05Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; V24-Y51 HydrophobicContact CG1-CE2 3.93Å; C25-Y51 WeakPolarHBondContact CA-OH 2.92Å; C25-Y51 PolarHBondContact N-OH 3.19Å; C25-Y51 PolarHBondContact SG-OH 3.41Å; I47-Y51 HydrophobicContact CD1-CD2 4.34Å; I47-Y51 HydrophobicContact CG1-CD2 3.55Å; I47-Y51 HydrophobicContact CG1-CE2 4.27Å; I47-Y51 HydrophobicContact CG1-CG 4.03Å; I47-Y51 WeakPolarHBondContact O-CB 3.38Å; I47-Y51 WeakPolarHBondContact O-CD2 3.38Å; I47-Y51 PolarHBondContact O-N 2.68Å; N48-Y51 CarbonylContact C-O 3.52Å; N48-Y51 VanDerWaalsContact CA-O 3.22Å; N48-Y51 WeakPolarHBondContact CA-O 3.47Å; N48-Y51 VanDerWaalsContact O-O 3.13Å; Y51-F59 HydrophobicContact CD1-CB 3.75Å; Y51-F59 HydrophobicContact CG-CB 4.09Å; Y51-V60 CarbonylContact C-O 3.51Å; Y51-V60 VanDerWaalsContact CA-O 3.31Å; Y51-V60 WeakPolarHBondContact CA-O 3.3Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; Y51-R62 PolarHBondContact O-NE 2.89Å; Y51-R62 PolarHBondContact O-NH2 3.44Å
52N94Very high91.6Very high54 Ų5446.4 Ų46.429%0.28926%0.255SS..EExtended strand (participates in β ladder)trans-100.3134.4160.6-172.321.6000108.5A54 V60N52-A54 PolarHBondContact O-N 3.2Å; N52-V60 PolarHBondContact N-O 3.35Å; N52-V60 PolarHBondContact O-N 3.08Å
53E92Very high92Very high131 Ų13143.1 Ų43.161%0.61224%0.239SC*.EExtended strand (participates in β ladder)trans-83106.3172.8-169.9179.3177.800108.9F59E53-F59 HydrophobicContact CB-CD1 4.39Å; E53-F59 HydrophobicContact CB-CE1 4.16Å; E53-F59 HydrophobicContact CG-CE1 4.14Å; E53-F59 HydrophobicContact CG-CZ 4.49Å
54A89.2Confident92.5Very high35 Ų3541.9 Ų41.929%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-81.9172.8173.200000111.3N52 G57 R58 V60N52-A54 PolarHBondContact O-N 3.2Å; A54-G57 PolarHBondContact O-N 3.36Å; A54-R58 HydrophobicContact CB-CB 4.42Å; A54-R58 WeakPolarHBondContact CB-O 3.48Å; A54-R58 PolarHBondContact N-O 2.87Å; A54-V60 HydrophobicContact CB-CG2 3.88Å
55S84.5Confident92.8Very high104 Ų10439.3 Ų39.373%0.72722%0.219SC*.THydrogen-bonded Turntrans-54.6150.4175.156.60000112.2G57S55-G57 VanDerWaalsContact C-N 3.31Å; S55-G57 PolarHBondContact O-N 3.45Å
56C85Confident93.1Very high114 Ų11434.5 Ų34.577%0.7720%0.197SC*.THydrogen-bonded Turntrans66.523.1-177.6-53.10000115.2
57G86.5Confident93.4Very high33 Ų3331.6 Ų31.634%0.3419%0.186SC..THydrogen-bonded Turntrans70.532.1174.900000113.3A54 S55A54-G57 PolarHBondContact O-N 3.36Å; S55-G57 VanDerWaalsContact C-N 3.31Å; S55-G57 PolarHBondContact O-N 3.45Å
58R93.7Very high93.5Very high90 Ų9031.1 Ų31.134%0.3418%0.183SC..EExtended strand (participates in β ladder)trans-98.1124.2-180-176.4-179.4-171.1-160.6-5.1109.7T33 G34 A54 V60 Q83T33-R58 PolarHBondContact O-NE 3.4Å; G34-R58 CarbonylContact O-C 3.49Å; G34-R58 WeakPolarHBondContact O-CA 3.46Å; A54-R58 HydrophobicContact CB-CB 4.42Å; A54-R58 WeakPolarHBondContact CB-O 3.48Å; A54-R58 PolarHBondContact N-O 2.87Å; R58-V60 HydrophobicContact CG-CG2 4.44Å; R58-Q83 PolarHBondContact NH2-O 2.76Å
59F95.2Very high93.5Very high19 Ų1934.1 Ų34.18%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-88122174.6-64.1-80.5000110.2I30 G34 L44 I47 Y51 E53I30-F59 HydrophobicContact CD1-CB 4.05Å; I30-F59 HydrophobicContact CD1-CD2 3.49Å; I30-F59 VanDerWaalsContact CD1-CD2 3.49Å; I30-F59 HydrophobicContact CD1-CE2 4.23Å; I30-F59 HydrophobicContact CD1-CG 3.95Å; I30-F59 HydrophobicContact CG1-CB 4.46Å; G34-F59 PolarHBondContact O-N 2.89Å; L44-F59 HydrophobicContact CD2-CE2 4.21Å; L44-F59 HydrophobicContact CD2-CZ 3.97Å; I47-F59 HydrophobicContact CD1-CB 4.46Å; I47-F59 HydrophobicContact CD1-CD1 3.63Å; I47-F59 HydrophobicContact CD1-CD2 4.14Å; I47-F59 HydrophobicContact CD1-CE1 3.83Å; I47-F59 HydrophobicContact CD1-CE2 4.31Å; I47-F59 HydrophobicContact CD1-CG 3.79Å; I47-F59 HydrophobicContact CD1-CZ 4.16Å; I47-F59 HydrophobicContact CG1-CD1 4.1Å; I47-F59 HydrophobicContact CG1-CE1 4.36Å; I47-F59 HydrophobicContact CG2-CD1 4.17Å; I47-F59 HydrophobicContact CG2-CE1 3.7Å; I47-F59 HydrophobicContact CG2-CZ 4.45Å; Y51-F59 HydrophobicContact CD1-CB 3.75Å; Y51-F59 HydrophobicContact CG-CB 4.09Å; E53-F59 HydrophobicContact CB-CD1 4.39Å; E53-F59 HydrophobicContact CB-CE1 4.16Å; E53-F59 HydrophobicContact CG-CE1 4.14Å; E53-F59 HydrophobicContact CG-CZ 4.49Å
60V95.5Very high93.4Very high23 Ų2335.8 Ų35.814%0.13921%0.207CC..EExtended strand (participates in β ladder)trans-111.6123.4-179.1179.90000108.8Y51 N52 A54 R58 R62 R86Y51-V60 CarbonylContact C-O 3.51Å; Y51-V60 VanDerWaalsContact CA-O 3.31Å; Y51-V60 WeakPolarHBondContact CA-O 3.3Å; N52-V60 PolarHBondContact N-O 3.35Å; N52-V60 PolarHBondContact O-N 3.08Å; A54-V60 HydrophobicContact CB-CG2 3.88Å; R58-V60 HydrophobicContact CG-CG2 4.44Å; V60-R62 PolarHBondContact O-N 2.7Å; V60-R86 HydrophobicContact CG1-CB 4.21Å
61P96.4Very high93.1Very high1 Ų137.8 Ų37.81%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-54132.3174.3-29.838000113.1W21 Y50 Y51 A63 T84 F85W21-P61 HydrophobicContact CD2-CB 4.09Å; W21-P61 HydrophobicContact CD2-CG 4.36Å; W21-P61 HydrophobicContact CE3-CB 3.89Å; W21-P61 HydrophobicContact CE3-CG 3.98Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.45Å; W21-P61 HydrophobicContact CZ2-CB 3.76Å; W21-P61 HydrophobicContact CZ3-CB 3.63Å; W21-P61 HydrophobicContact CZ3-CG 4.04Å; Y50-P61 CarbonylContact O-C 3.59Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; P61-A63 HydrophobicContact CB-CB 4.11Å; P61-A63 PolarHBondContact O-N 2.89Å; P61-T84 VanDerWaalsContact CD-O 3.28Å; P61-T84 WeakPolarHBondContact CD-O 3.42Å; P61-F85 HydrophobicContact CB-CD1 3.85Å; P61-F85 HydrophobicContact CB-CE1 3.83Å; P61-F85 HydrophobicContact CG-CD1 4.02Å; P61-F85 HydrophobicContact CG-CE1 3.98Å
62R96.4Very high92.8Very high10 Ų1038.4 Ų38.44%0.03823%0.232CC..  trans-75.370.6165-63.5-179.5-170.9-81.8-3108.4L5 H6 N48 Y50 Y51 V60 N126 C127L5-R62 HydrophobicContact CD1-CB 4.12Å; H6-R62 PolarHBondContact N-O 3.07Å; N48-R62 PolarHBondContact O-NE 3.42Å; Y50-R62 WeakPolarHBondContact O-CB 3.3Å; Y50-R62 PolarHBondContact O-N 3.17Å; Y51-R62 PolarHBondContact O-NE 2.89Å; Y51-R62 PolarHBondContact O-NH2 3.44Å; V60-R62 PolarHBondContact O-N 2.7Å; R62-N126 PolarHBondContact NH1-O 3.06Å; R62-C127 PolarHBondContact NH1-SG 3.04Å; R62-C127 VanDerWaalsContact NH1-SG 3.35Å
63A96.6Very high92.7Very high1 Ų135.9 Ų35.91%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-125.4137.4-176.500000111.4H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.47Å; H6-A63 WeakPolarHBondContact O-CA 3.5Å; W21-A63 HydrophobicContact CZ2-CB 3.75Å; P61-A63 HydrophobicContact CB-CB 4.11Å; P61-A63 PolarHBondContact O-N 2.89Å; A63-L65 HydrophobicContact CB-CD1 4.08Å; A63-F85 HydrophobicContact CB-CD1 3.84Å; A63-F85 HydrophobicContact CB-CE1 3.79Å; A63-N89 WeakPolarHBondContact O-CB 3.48Å; A63-N89 PolarHBondContact O-ND2 3.38Å
64V97.7Very high92.7Very high0 Ų034.1 Ų34.10%021%0.214CC..EExtended strand (participates in β ladder)trans-113.4126168.2-1770000108L5 H6 I7 Q8 V116 V119 V120L5-V64 HydrophobicContact CD1-CG2 4.16Å; L5-V64 HydrophobicContact CD2-CG2 4.08Å; L5-V64 HydrophobicContact CG-CG2 4.31Å; H6-V64 PolarHBondContact O-N 3.41Å; I7-V64 CarbonylContact C-O 3.59Å; I7-V64 WeakPolarHBondContact CA-O 3.11Å; I7-V64 HydrophobicContact CG1-CB 4.32Å; Q8-V64 PolarHBondContact N-O 3.29Å; V64-V116 HydrophobicContact CG1-CG1 4.09Å; V64-V119 HydrophobicContact CB-CG1 4.49Å; V64-V119 HydrophobicContact CG1-CB 4.48Å; V64-V119 HydrophobicContact CG1-CG1 3.97Å; V64-V119 HydrophobicContact CG2-CG1 3.85Å; V64-V120 HydrophobicContact CG1-CG2 4.33Å; V64-V120 HydrophobicContact CG2-CG2 4.12Å
65L97.3Very high92.8Very high0 Ų036.3 Ų36.30%023%0.227CC..EExtended strand (participates in β ladder)trans-116.2117.5-176.8-60.491.8000107.9Q8 A63 M73 L76 F85 N89 F90 V91Q8-L65 VanDerWaalsContact OE1-CD2 3.28Å; A63-L65 HydrophobicContact CB-CD1 4.08Å; L65-M73 HydrophobicContact CB-CE 4.26Å; L65-M73 HydrophobicContact CB-SD 4.12Å; L65-L76 HydrophobicContact CD2-CD1 3.58Å; L65-F85 HydrophobicContact CD1-CB 4.46Å; L65-F85 HydrophobicContact CD1-CD1 3.9Å; L65-F85 HydrophobicContact CD1-CE1 4.41Å; L65-F85 HydrophobicContact CD1-CG 4.2Å; L65-N89 PolarHBondContact N-O 3.03Å; L65-F90 HydrophobicContact CB-CD1 4.23Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.45Å; L65-F90 HydrophobicContact CD2-CD1 4.45Å; L65-F90 HydrophobicContact CD2-CE1 3.95Å; L65-F90 HydrophobicContact CD2-CZ 4.42Å; L65-F90 WeakPolarHBondContact O-CA 3.42Å; L65-V91 PolarHBondContact O-N 3Å
66M95.9Very high93.2Very high0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-126.1139.718068.7171.8-177.200112.5Q8 G10 N14 V91 V116 M147 L151Q8-M66 WeakPolarHBondContact O-CG 3.44Å; Q8-M66 PolarHBondContact O-N 3.2Å; G10-M66 PolarHBondContact N-O 3.28Å; N14-M66 PolarHBondContact ND2-O 3.09Å; M66-V91 VanDerWaalsContact CA-O 3.26Å; M66-V91 WeakPolarHBondContact CA-O 3.47Å; M66-V116 HydrophobicContact CB-CG1 4.44Å; M66-V116 HydrophobicContact CB-CG2 3.98Å; M66-V116 HydrophobicContact SD-CG1 3.85Å; M66-V116 HydrophobicContact SD-CG2 4.09Å; M66-M147 HydrophobicContact SD-CE 3.7Å; M66-M147 HydrophobicContact SD-CG 4.36Å; M66-M147 HydrophobicContact SD-SD 4.08Å; M66-L151 HydrophobicContact CE-CB 4.12Å; M66-L151 HydrophobicContact CE-CD2 3.46Å; M66-L151 VanDerWaalsContact CE-CD2 3.46Å; M66-L151 HydrophobicContact CE-CG 4.45Å; M66-L151 HydrophobicContact SD-CD2 3.64Å
67D96.1Very high93.5Very high1 Ų130.8 Ų30.81%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-156.3154.4170.6-156-13.7000110Q11 E69 T72 M73 V91 F92 G93 T143Q11-D67 PolarHBondContact N-OD2 3.23Å; Q11-D67 VanDerWaalsContact N-OD2 3.16Å; D67-E69 VanDerWaalsContact C-N 3.28Å; D67-T72 WeakPolarHBondContact OD2-CB 3.35Å; D67-T72 PolarHBondContact OD2-OG1 3.1Å; D67-M73 HydrophobicContact CB-CE 3.32Å; D67-V91 PolarHBondContact N-O 2.87Å; D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.48Å; D67-F92 WeakPolarHBondContact O-CB 3.29Å; D67-G93 PolarHBondContact O-N 3.1Å; D67-T143 PolarHBondContact OD1-OG1 3.22Å
68L94.6Very high93.7Very high1 Ų134 Ų341%0.00519%0.192CC..SBendtrans-83-12.7177.1-73.1173.5000112.2G93 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.56Å; L68-G93 WeakPolarHBondContact O-CA 3.48Å; L68-S95 WeakPolarHBondContact CB-O 3.42Å; L68-S95 CarbonylContact O-C 3.47Å; L68-S95 PolarHBondContact O-N 3.19Å; L68-S95 VanDerWaalsContact O-O 3.09Å; L68-A97 HydrophobicContact CD1-CB 3.68Å; L68-E108 HydrophobicContact CD1-CB 4.02Å; L68-E108 HydrophobicContact CD2-CB 3.98Å; L68-L112 HydrophobicContact CD2-CB 4.35Å; L68-L112 HydrophobicContact CD2-CD2 3.9Å; L68-T143 HydrophobicContact CB-CG2 4.25Å; L68-T143 HydrophobicContact CD1-CG2 4.05Å; L68-T143 HydrophobicContact CG-CG2 3.81Å; L68-M147 HydrophobicContact CD2-SD 4.07Å; L68-M147 HydrophobicContact CG-SD 4.11Å
69E91.5Very high93.6Very high91 Ų9130.8 Ų30.843%0.42519%0.187SC..SBendtrans-115.9138178.9-62-175.2115.400112.1D67 G71 G96D67-E69 VanDerWaalsContact C-N 3.28Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.49Å; E69-G96 VanDerWaalsContact CG-CA 3.49Å
70P91.6Very high93.3Very high41 Ų4134.3 Ų34.327%0.26621%0.212SC..Hα-helixtrans-71.2-26.4-179.427.3-34.2000113.2T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.32Å; P70-T72 PolarHBondContact O-N 3.17Å; P70-M73 WeakPolarHBondContact O-CB 3.44Å; P70-M73 PolarHBondContact O-N 2.64Å; P70-D74 PolarHBondContact O-N 3.02Å; P70-F92 HydrophobicContact CB-CD2 3.97Å; P70-F92 HydrophobicContact CB-CE2 4.19Å
71G90.6Very high93.1Very high43 Ų4335.3 Ų35.344%0.44321%0.214SC..Hα-helixtrans-61-36.2-172.300000114.1E69 S75E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.49Å; G71-S75 WeakPolarHBondContact O-CB 3.46Å; G71-S75 PolarHBondContact O-N 2.69Å; G71-S75 PolarHBondContact O-OG 2.92Å
72T89Confident92.8Very high15 Ų1535.5 Ų35.59%0.09222%0.215CC..Hα-helixtrans-64.6-43.4174.2-53.90000110.8N14 D67 P70 S75 L76N14-T72 HydrophobicContact CB-CG2 3.56Å; D67-T72 WeakPolarHBondContact OD2-CB 3.35Å; D67-T72 PolarHBondContact OD2-OG1 3.1Å; P70-T72 VanDerWaalsContact C-N 3.32Å; P70-T72 PolarHBondContact O-N 3.17Å; T72-S75 WeakPolarHBondContact O-CB 3.47Å; T72-S75 PolarHBondContact O-N 3.39Å; T72-L76 HydrophobicContact CG2-CD1 4.43Å; T72-L76 WeakPolarHBondContact O-CG 3.4Å; T72-L76 PolarHBondContact O-N 3.25Å
73M91.6Very high92.5Very high0 Ų041.1 Ų41.10%024%0.242CC..Hα-helixtrans-67.4-41.3-177.2-64.2-60.815200112.5N14 L65 D67 P70 S75 L76 R77 F90 F92N14-M73 VanDerWaalsContact ND2-CE 3.29Å; N14-M73 WeakPolarHBondContact ND2-CE 3.47Å; L65-M73 HydrophobicContact CB-CE 4.26Å; L65-M73 HydrophobicContact CB-SD 4.12Å; D67-M73 HydrophobicContact CB-CE 3.32Å; P70-M73 WeakPolarHBondContact O-CB 3.44Å; P70-M73 PolarHBondContact O-N 2.64Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.78Å; M73-L76 PolarHBondContact O-N 3.37Å; M73-L76 HydrophobicContact SD-CD1 4.2Å; M73-R77 WeakPolarHBondContact O-CB 3.1Å; M73-R77 WeakPolarHBondContact O-CG 3.42Å; M73-R77 PolarHBondContact O-N 3.02Å; M73-F90 HydrophobicContact CB-CD1 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.65Å; M73-F90 HydrophobicContact SD-CE1 4.41Å; M73-F92 HydrophobicContact CB-CD1 4.19Å; M73-F92 HydrophobicContact CB-CG 4.49Å; M73-F92 HydrophobicContact CG-CB 3.84Å; M73-F92 HydrophobicContact CG-CD1 3.88Å; M73-F92 HydrophobicContact CG-CG 4.03Å
74D92.2Very high92.3Very high95 Ų9541.1 Ų41.151%0.50824%0.242SC..Hα-helixtrans-63.2-38.8175.4-71-27000111.6P70 R77 S78P70-D74 PolarHBondContact O-N 3.02Å; D74-R77 PolarHBondContact O-N 3.44Å; D74-S78 WeakPolarHBondContact O-CB 3.23Å; D74-S78 PolarHBondContact O-N 3.43Å; D74-S78 PolarHBondContact O-OG 3.18Å
75S91.7Very high92.1Very high80 Ų8041.7 Ų41.756%0.55925%0.245SC*.Hα-helixtrans-64-40.1175.4-58.20000111.8G71 T72 M73 S78 G79G71-S75 WeakPolarHBondContact O-CB 3.46Å; G71-S75 PolarHBondContact O-N 2.69Å; G71-S75 PolarHBondContact O-OG 2.92Å; T72-S75 WeakPolarHBondContact O-CB 3.47Å; T72-S75 PolarHBondContact O-N 3.39Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.78Å; S75-S78 PolarHBondContact O-OG 2.76Å; S75-S78 VanDerWaalsContact O-OG 3.1Å; S75-G79 PolarHBondContact O-N 2.84Å; S75-G79 VanDerWaalsContact O-N 3.15Å
76L92Very high91.9Very high17 Ų1746.2 Ų46.29%0.08926%0.262CS..Hα-helixtrans-68.2-45.5175.9-70.1174.2000112.4N14 A18 L65 T72 M73 S78 G79 G82 F90N14-L76 HydrophobicContact CB-CD1 3.62Å; A18-L76 HydrophobicContact CB-CD2 3.37Å; L65-L76 HydrophobicContact CD2-CD1 3.58Å; T72-L76 HydrophobicContact CG2-CD1 4.43Å; T72-L76 WeakPolarHBondContact O-CG 3.4Å; T72-L76 PolarHBondContact O-N 3.25Å; M73-L76 PolarHBondContact O-N 3.37Å; M73-L76 HydrophobicContact SD-CD1 4.2Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.36Å; L76-G79 PolarHBondContact O-N 3.47Å; L76-G82 WeakPolarHBondContact O-CA 3.15Å; L76-F90 HydrophobicContact CB-CE1 4.34Å
77R91.6Very high91.8Very high86 Ų8650.1 Ų50.133%0.32529%0.287SS..Hα-helixtrans-63.1-34.1179.8-75.3178.7179.1-129.31.7112.8M73 D74 G79 Q83 P87 F90M73-R77 WeakPolarHBondContact O-CB 3.1Å; M73-R77 WeakPolarHBondContact O-CG 3.42Å; M73-R77 PolarHBondContact O-N 3.02Å; D74-R77 PolarHBondContact O-N 3.44Å; R77-G79 VanDerWaalsContact C-N 3.32Å; R77-Q83 PolarHBondContact O-NE2 3.1Å; R77-P87 PolarHBondContact NH2-O 3.02Å; R77-F90 HydrophobicContact CG-CD1 4.22Å; R77-F90 HydrophobicContact CG-CE1 3.74Å; R77-F90 HydrophobicContact CG-CE2 4.48Å; R77-F90 HydrophobicContact CG-CZ 3.89Å; R77-F90 VanDerWaalsContact NH2-CB 3.27Å
78S91.5Very high91.7Very high99 Ų9955.5 Ų55.569%0.69232%0.316SS*.Hα-helixtrans-82-10.5174.658.60000113.6D74 S75 L76D74-S78 WeakPolarHBondContact O-CB 3.23Å; D74-S78 PolarHBondContact O-N 3.43Å; D74-S78 PolarHBondContact O-OG 3.18Å; S75-S78 PolarHBondContact O-OG 2.76Å; S75-S78 VanDerWaalsContact O-OG 3.1Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.36Å
79G90.3Very high91.8Very high24 Ų2455.7 Ų55.725%0.24732%0.317CS..SBendtrans-67.2165175.500000113S75 L76 R77 Y81 G82S75-G79 PolarHBondContact O-N 2.84Å; S75-G79 VanDerWaalsContact O-N 3.15Å; L76-G79 PolarHBondContact O-N 3.47Å; R77-G79 VanDerWaalsContact C-N 3.32Å; G79-Y81 VanDerWaalsContact C-N 3.27Å; G79-Y81 PolarHBondContact O-N 3.3Å; G79-G82 PolarHBondContact O-N 3.36Å
80P89.5Confident92Very high92 Ų9252.1 Ų52.160%0.59730%0.3SS*.THydrogen-bonded Turntrans-56-39.1-173.5-25.133.6000113.8P32P32-P80 WeakPolarHBondContact CB-O 3.4Å
81Y91.9Very high92.2Very high45 Ų4550.8 Ų50.818%0.17629%0.291CS..THydrogen-bonded Turntrans-10310.7178.5-67.4-93.2000112.8E22 C25 P32 G79 Q83 T84 F85E22-Y81 HydrophobicContact CB-CD2 4.32Å; E22-Y81 HydrophobicContact CB-CE2 4.23Å; E22-Y81 HydrophobicContact CG-CD2 3.57Å; E22-Y81 HydrophobicContact CG-CE2 3.83Å; C25-Y81 HydrophobicContact CB-CD1 3.92Å; C25-Y81 HydrophobicContact CB-CE1 3.46Å; C25-Y81 VanDerWaalsContact CB-CE1 3.46Å; P32-Y81 HydrophobicContact CG-CE1 4.15Å; G79-Y81 VanDerWaalsContact C-N 3.27Å; G79-Y81 PolarHBondContact O-N 3.3Å; Y81-Q83 PolarHBondContact O-N 2.96Å; Y81-Q83 VanDerWaalsContact O-N 3.1Å; Y81-T84 HydrophobicContact CD1-CG2 4.04Å; Y81-T84 PolarHBondContact O-N 2.85Å; Y81-T84 PolarHBondContact O-OG1 3.15Å; Y81-F85 WeakPolarHBondContact O-CD2 3.42Å
82G89.3Confident92.4Very high4 Ų452.1 Ų52.14%0.04129%0.285CS..THydrogen-bonded Turntrans-57.2-32.3-177.100000113.5L76 G79L76-G82 WeakPolarHBondContact O-CA 3.15Å; G79-G82 PolarHBondContact O-N 3.36Å
83Q90.2Very high92.5Very high129 Ų12952 Ų5260%0.60329%0.287SS*.THydrogen-bonded Turntrans-79.6-13.6-179.8-60.3-58.8-38.300113.9R58 R77 Y81 F85R58-Q83 PolarHBondContact NH2-O 2.76Å; R77-Q83 PolarHBondContact O-NE2 3.1Å; Y81-Q83 PolarHBondContact O-N 2.96Å; Y81-Q83 VanDerWaalsContact O-N 3.1Å; Q83-F85 VanDerWaalsContact C-N 3.34Å
84T92.2Very high92.3Very high1 Ų159.3 Ų59.31%0.00632%0.321CS..THydrogen-bonded Turntrans-73.1-30.5178.560.10000112P32 P61 Y81P32-T84 WeakPolarHBondContact O-CG2 3.43Å; P61-T84 VanDerWaalsContact CD-O 3.28Å; P61-T84 WeakPolarHBondContact CD-O 3.42Å; Y81-T84 HydrophobicContact CD1-CG2 4.04Å; Y81-T84 PolarHBondContact O-N 2.85Å; Y81-T84 PolarHBondContact O-OG1 3.15Å
85F94.1Very high92Very high12 Ų1257.3 Ų57.35%0.05331%0.314CS..SBendtrans-69.2148.9177.9-61.1-73.3000111.8W21 P61 A63 L65 Y81 Q83 P87 F90W21-F85 HydrophobicContact CB-CE1 4.4Å; W21-F85 HydrophobicContact CB-CZ 3.76Å; W21-F85 AromaticContact CD1-CE1 3.47Å; W21-F85 VanDerWaalsContact CD1-CE1 3.47Å; W21-F85 AromaticContact CD1-CZ 3.4Å; W21-F85 VanDerWaalsContact CD1-CZ 3.4Å; W21-F85 HydrophobicContact CD2-CE1 4.06Å; W21-F85 HydrophobicContact CD2-CZ 4.32Å; W21-F85 AromaticContact CG-CE1 3.74Å; W21-F85 HydrophobicContact CG-CE1 3.74Å; W21-F85 AromaticContact CG-CZ 3.55Å; W21-F85 HydrophobicContact CG-CZ 3.55Å; W21-F85 AromaticContact NE1-CE1 3.62Å; P61-F85 HydrophobicContact CB-CD1 3.85Å; P61-F85 HydrophobicContact CB-CE1 3.83Å; P61-F85 HydrophobicContact CG-CD1 4.02Å; P61-F85 HydrophobicContact CG-CE1 3.98Å; A63-F85 HydrophobicContact CB-CD1 3.84Å; A63-F85 HydrophobicContact CB-CE1 3.79Å; L65-F85 HydrophobicContact CD1-CB 4.46Å; L65-F85 HydrophobicContact CD1-CD1 3.9Å; L65-F85 HydrophobicContact CD1-CE1 4.41Å; L65-F85 HydrophobicContact CD1-CG 4.2Å; Y81-F85 WeakPolarHBondContact O-CD2 3.42Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; F85-P87 WeakPolarHBondContact O-CD 3.26Å; F85-F90 HydrophobicContact CB-CE2 3.52Å; F85-F90 HydrophobicContact CB-CZ 3.65Å; F85-F90 HydrophobicContact CD2-CZ 4.2Å; F85-F90 HydrophobicContact CG-CE2 4.47Å; F85-F90 HydrophobicContact CG-CZ 4.16Å
86R93.7Very high91.8Very high95 Ų9554.3 Ų54.336%0.35830%0.296SS..  trans-67.9127173-166.7179-158.5160.15.9109.4V60 D88 N89 F90 E123V60-R86 HydrophobicContact CG1-CB 4.21Å; R86-D88 HydrophobicContact CG-CB 4.35Å; R86-D88 IonicContact NE-OD2 3.07Å; R86-D88 PolarHBondContact O-N 3.18Å; R86-N89 HydrophobicContact CB-CB 4.24Å; R86-N89 VanDerWaalsContact CD-OD1 3.32Å; R86-N89 WeakPolarHBondContact CD-OD1 3.49Å; R86-N89 PolarHBondContact O-N 2.97Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.42Å; R86-F90 WeakPolarHBondContact O-CE2 3.25Å; R86-E123 IonicContact NH1-OE1 2.7Å; R86-E123 PolarHBondContact NH1-OE1 2.82Å
87P92.9Very high91.5Very high81 Ų8153.6 Ų53.653%0.52629%0.292SS..G310 helixtrans-57.7-31.8-179.5-27.836000114.2R77 F85 N89R77-P87 PolarHBondContact NH2-O 3.02Å; F85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-N89 PolarHBondContact O-N 3.1Å
88D94Very high91.4Very high115 Ų11552.8 Ų52.862%0.61531%0.31SS*.G310 helixtrans-73.3-15.1179.7-56.3-30.1000113R86 F90R86-D88 HydrophobicContact CG-CB 4.35Å; R86-D88 IonicContact NE-OD2 3.07Å; R86-D88 PolarHBondContact O-N 3.18Å; D88-F90 VanDerWaalsContact C-N 3.31Å
89N95.9Very high91.3Very high5 Ų551.5 Ų51.53%0.02730%0.296CS..G310 helixtrans-89.1-0.7-178.6-66.117.6000113.2A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.48Å; A63-N89 PolarHBondContact O-ND2 3.38Å; L65-N89 PolarHBondContact N-O 3.03Å; R86-N89 HydrophobicContact CB-CB 4.24Å; R86-N89 VanDerWaalsContact CD-OD1 3.32Å; R86-N89 WeakPolarHBondContact CD-OD1 3.49Å; R86-N89 PolarHBondContact O-N 2.97Å; P87-N89 PolarHBondContact O-N 3.1Å; N89-V119 HydrophobicContact CB-CG1 4.13Å; N89-E123 PolarHBondContact ND2-OE1 2.78Å
90F96Very high91.6Very high15 Ų1551 Ų517%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-90.5110.7171.1-67-99.7000108.4L65 M73 L76 R77 F85 R86 D88 F92L65-F90 HydrophobicContact CB-CD1 4.23Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.45Å; L65-F90 HydrophobicContact CD2-CD1 4.45Å; L65-F90 HydrophobicContact CD2-CE1 3.95Å; L65-F90 HydrophobicContact CD2-CZ 4.42Å; L65-F90 WeakPolarHBondContact O-CA 3.42Å; M73-F90 HydrophobicContact CB-CD1 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.65Å; M73-F90 HydrophobicContact SD-CE1 4.41Å; L76-F90 HydrophobicContact CB-CE1 4.34Å; R77-F90 HydrophobicContact CG-CD1 4.22Å; R77-F90 HydrophobicContact CG-CE1 3.74Å; R77-F90 HydrophobicContact CG-CE2 4.48Å; R77-F90 HydrophobicContact CG-CZ 3.89Å; R77-F90 VanDerWaalsContact NH2-CB 3.27Å; F85-F90 HydrophobicContact CB-CE2 3.52Å; F85-F90 HydrophobicContact CB-CZ 3.65Å; F85-F90 HydrophobicContact CD2-CZ 4.2Å; F85-F90 HydrophobicContact CG-CE2 4.47Å; F85-F90 HydrophobicContact CG-CZ 4.16Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.42Å; R86-F90 WeakPolarHBondContact O-CE2 3.25Å; D88-F90 VanDerWaalsContact C-N 3.31Å; F90-F92 HydrophobicContact CB-CD1 4.49Å
91V96.1Very high91.9Very high14 Ų1446.7 Ų46.79%0.08526%0.259CS..EExtended strand (participates in β ladder)trans-115122.1177.4-176.40000107.9L65 M66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 3Å; M66-V91 VanDerWaalsContact CA-O 3.26Å; M66-V91 WeakPolarHBondContact CA-O 3.47Å; D67-V91 PolarHBondContact N-O 2.87Å; V91-L112 HydrophobicContact CG1-CD1 3.71Å; V91-L112 HydrophobicContact CG1-CD2 4.32Å; V91-L112 HydrophobicContact CG1-CG 3.94Å; V91-V116 HydrophobicContact CB-CG2 3.91Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; V91-V116 HydrophobicContact CG2-CG2 4.43Å; V91-V119 HydrophobicContact CG2-CB 4.35Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å
92F94.7Very high92.1Very high71 Ų7144.6 Ų44.631%0.31125%0.251SS..EExtended strand (participates in β ladder)trans-145.1147.5-178.257.3-87.9000114.7D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.48Å; D67-F92 WeakPolarHBondContact O-CB 3.29Å; P70-F92 HydrophobicContact CB-CD2 3.97Å; P70-F92 HydrophobicContact CB-CE2 4.19Å; M73-F92 HydrophobicContact CB-CD1 4.19Å; M73-F92 HydrophobicContact CB-CG 4.49Å; M73-F92 HydrophobicContact CG-CB 3.84Å; M73-F92 HydrophobicContact CG-CD1 3.88Å; M73-F92 HydrophobicContact CG-CG 4.03Å; F90-F92 HydrophobicContact CB-CD1 4.49Å
93G91.2Very high92.4Very high13 Ų1346.5 Ų46.513%0.13426%0.258CS..  trans-83.4-177175.200000113.2D67 L68D67-G93 PolarHBondContact O-N 3.1Å; L68-G93 CarbonylContact O-C 3.56Å; L68-G93 WeakPolarHBondContact O-CA 3.48Å
94Q88.4Confident92.7Very high153 Ų15340.3 Ų40.372%0.71523%0.229SC*.SBendtrans-108.9-11.5173-62.8-61.9-43.200112.7
95S85.8Confident92.9Very high53 Ų5341.4 Ų41.437%0.37123%0.234SC..SBendtrans-132.5125.8-169.9-65.30000109.5L68 E108L68-S95 WeakPolarHBondContact CB-O 3.42Å; L68-S95 CarbonylContact O-C 3.47Å; L68-S95 PolarHBondContact O-N 3.19Å; L68-S95 VanDerWaalsContact O-O 3.09Å; S95-E108 VanDerWaalsContact CB-CD 3.47Å; S95-E108 WeakPolarHBondContact CB-OE1 3.42Å; S95-E108 VanDerWaalsContact CB-OE2 3.25Å; S95-E108 WeakPolarHBondContact CB-OE2 2.99Å
96G86.7Confident93Very high17 Ų1744.9 Ų44.918%0.17525%0.248CC..  trans-73.8158.8178.600000114.2E69 G98 K103E69-G96 VanDerWaalsContact CG-CA 3.49Å; G96-G98 VanDerWaalsContact C-N 3.26Å; G96-G98 PolarHBondContact O-N 2.81Å; G96-K103 PolarHBondContact O-NZ 3.09Å
97A85.8Confident93Very high2 Ų242.1 Ų42.12%0.01724%0.241CC..  trans-75-9.6172.400000114L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.68Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.02Å; A97-N100 WeakPolarHBondContact O-CB 3.38Å; A97-N100 PolarHBondContact O-N 2.64Å; A97-K103 HydrophobicContact CB-CB 4.48Å
98G88.4Confident93.1Very high68 Ų6840.3 Ų40.370%0.70123%0.226SC*.THydrogen-bonded Turntrans57.437.1177.300000114.2G96 N100G96-G98 VanDerWaalsContact C-N 3.26Å; G96-G98 PolarHBondContact O-N 2.81Å; G98-N100 PolarHBondContact O-N 2.75Å
99N91.1Very high93Very high73 Ų7334.9 Ų34.939%0.3920%0.197SC..THydrogen-bonded Turntrans59.121.3-174.2-61.5-31.6000115.4A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.02Å; N99-T178 HydrophobicContact CB-CG2 3.7Å; N99-T178 PolarHBondContact ND2-OG1 2.91Å; N99-V180 WeakPolarHBondContact O-CG2 3.26Å; N99-N184 PolarHBondContact O-ND2 3.39Å
100N94.8Very high93Very high12 Ų1236.3 Ų36.36%0.06421%0.209CC..  trans-105.8118.9177.9-175.5-13.7000110.6A97 G98 A102 K103 G104 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.38Å; A97-N100 PolarHBondContact O-N 2.64Å; G98-N100 PolarHBondContact O-N 2.75Å; N100-A102 PolarHBondContact O-N 3.44Å; N100-A102 WeakPolarHBondContact OD1-CB 3.3Å; N100-A102 PolarHBondContact OD1-N 3.44Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 3.12Å; N100-G104 PolarHBondContact O-N 2.76Å; N100-G104 VanDerWaalsContact O-N 3.17Å; N100-W397 PolarHBondContact ND2-O 3.44Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.35Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.33Å
101W96.9Very high92.9Very high3 Ų343 Ų431%0.01124%0.241CC..Hα-helixtrans-59.3-43.6176.2179.9102.4000111.9K103 G104 H105 Y106 S145 G146 T149 N184 L187 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.29Å; W101-K103 PolarHBondContact O-N 3.03Å; W101-G104 CarbonylContact O-C 3.45Å; W101-G104 WeakPolarHBondContact O-CA 3.35Å; W101-G104 PolarHBondContact O-N 2.98Å; W101-H105 HydrophobicContact CD2-CB 4.21Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.7Å; W101-H105 AromaticContact CH2-CE1 3.95Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.62Å; W101-H105 HydrophobicContact CZ2-CB 4.08Å; W101-H105 AromaticContact CZ2-CE1 3.94Å; W101-H105 AromaticContact CZ2-CG 3.7Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.39Å; W101-H105 HydrophobicContact CZ3-CB 3.82Å; W101-H105 AromaticContact CZ3-CG 3.88Å; W101-H105 WeakPolarHBondContact O-CB 3.31Å; W101-H105 PolarHBondContact O-N 3.04Å; W101-Y106 HydrophobicContact CH2-CE2 4.42Å; W101-Y106 HydrophobicContact CZ3-CD2 4.42Å; W101-Y106 AromaticContact CZ3-CE2 3.82Å; W101-Y106 HydrophobicContact CZ3-CE2 3.82Å; W101-S145 VanDerWaalsContact CD1-C 3.46Å; W101-G146 VanDerWaalsContact CD1-CA 3.4Å; W101-G146 VanDerWaalsContact CD1-N 3.25Å; W101-G146 WeakPolarHBondContact O-CA 3.38Å; W101-T149 PolarHBondContact NE1-OG1 3.01Å; W101-N184 HydrophobicContact CB-CB 4.13Å; W101-N184 WeakPolarHBondContact CB-OD1 3.16Å; W101-N184 PolarHBondContact N-OD1 2.83Å; W101-L187 HydrophobicContact CB-CD1 4.38Å; W101-L187 HydrophobicContact CD2-CB 3.81Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.62Å; W101-L187 HydrophobicContact CE3-CG 4.43Å; W101-L187 HydrophobicContact CG-CB 4.13Å; W101-L187 HydrophobicContact CG-CD1 4.19Å; W101-L187 HydrophobicContact CZ2-CB 4.16Å; W101-L187 HydrophobicContact CZ3-CD1 4.21Å; W101-Q191 HydrophobicContact CZ2-CG 4.2Å; W101-Y398 HydrophobicContact CB-CE1 4.03Å; W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.31Å; W101-M403 HydrophobicContact CZ3-SD 4.01Å
102A96.8Very high92.8Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-63.9-36.7-178.900000111.7N100 G104 H105 Y106 Y398 E401 M403N100-A102 PolarHBondContact O-N 3.44Å; N100-A102 WeakPolarHBondContact OD1-CB 3.3Å; N100-A102 PolarHBondContact OD1-N 3.44Å; A102-G104 VanDerWaalsContact C-N 3.32Å; A102-G104 PolarHBondContact O-N 3.38Å; A102-H105 PolarHBondContact O-N 2.97Å; A102-Y106 HydrophobicContact CB-CD2 4.2Å; A102-Y106 WeakPolarHBondContact O-CB 3.2Å; A102-Y106 PolarHBondContact O-N 3.32Å; A102-Y398 HydrophobicContact CB-CD1 3.76Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; A102-E401 HydrophobicContact CB-CB 3.97Å; A102-E401 HydrophobicContact CB-CG 4.37Å; A102-M403 HydrophobicContact CB-CB 4.09Å; A102-M403 HydrophobicContact CB-SD 4.04Å
103K95.6Very high92.9Very high44 Ų4440.6 Ų40.619%0.19123%0.23CC..Hα-helixtrans-64.9-38.7174-163.8172-165.7-130.90112G96 A97 N100 W101 H105 T107 E108 G109 E401G96-K103 PolarHBondContact O-NZ 3.09Å; A97-K103 HydrophobicContact CB-CB 4.48Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 3.12Å; W101-K103 VanDerWaalsContact C-N 3.29Å; W101-K103 PolarHBondContact O-N 3.03Å; K103-H105 VanDerWaalsContact C-N 3.33Å; K103-T107 WeakPolarHBondContact CA-OG1 3.37Å; K103-T107 VanDerWaalsContact CG-OG1 3.29Å; K103-T107 WeakPolarHBondContact CG-OG1 3.41Å; K103-T107 PolarHBondContact O-OG1 3.36Å; K103-T107 VanDerWaalsContact O-OG1 3.07Å; K103-E108 HydrophobicContact CD-CG 4.12Å; K103-E108 VanDerWaalsContact CE-CG 3.42Å; K103-E108 WeakPolarHBondContact CE-OE1 2.87Å; K103-E108 HydrophobicContact CG-CG 3.8Å; K103-E108 IonicContact NZ-OE1 2.75Å; K103-E108 PolarHBondContact NZ-OE1 3.19Å; K103-E108 PolarHBondContact O-N 3.5Å; K103-G109 PolarHBondContact O-N 2.95Å; K103-E401 HydrophobicContact CB-CG 4.14Å
104G95Very high93.1Very high0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-70.5-25.2173.400000113.9N100 W101 A102 G109 G146 M147N100-G104 PolarHBondContact O-N 2.76Å; N100-G104 VanDerWaalsContact O-N 3.17Å; W101-G104 CarbonylContact O-C 3.45Å; W101-G104 WeakPolarHBondContact O-CA 3.35Å; W101-G104 PolarHBondContact O-N 2.98Å; A102-G104 VanDerWaalsContact C-N 3.32Å; A102-G104 PolarHBondContact O-N 3.38Å; G104-G109 WeakPolarHBondContact O-CA 3.44Å; G104-G146 CarbonylContact O-C 3.57Å; G104-M147 VanDerWaalsContact O-CA 3.23Å; G104-M147 WeakPolarHBondContact O-CA 3.22Å; G104-M147 WeakPolarHBondContact O-CB 3.48Å; G104-M147 PolarHBondContact O-N 3.23Å; G104-M147 VanDerWaalsContact O-N 3.15Å
105H96.8Very high93.5Very high23 Ų2340.9 Ų40.911%0.10624%0.238CC..Hα-helixtrans-99.5-43-173.7-165.889.2000113.4W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.21Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.7Å; W101-H105 AromaticContact CH2-CE1 3.95Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.62Å; W101-H105 HydrophobicContact CZ2-CB 4.08Å; W101-H105 AromaticContact CZ2-CE1 3.94Å; W101-H105 AromaticContact CZ2-CG 3.7Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.39Å; W101-H105 HydrophobicContact CZ3-CB 3.82Å; W101-H105 AromaticContact CZ3-CG 3.88Å; W101-H105 WeakPolarHBondContact O-CB 3.31Å; W101-H105 PolarHBondContact O-N 3.04Å; A102-H105 PolarHBondContact O-N 2.97Å; K103-H105 VanDerWaalsContact C-N 3.33Å; H105-G146 PolarHBondContact ND1-O 3.26Å; H105-L150 WeakPolarHBondContact O-CD2 3.49Å
106Y96Very high94.1Very high86 Ų8638.3 Ų38.334%0.33722%0.221SC..Hα-helixtrans-104-22.4-171.2-70.1-63.6000114.6W101 A102 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.42Å; W101-Y106 HydrophobicContact CZ3-CD2 4.42Å; W101-Y106 AromaticContact CZ3-CE2 3.82Å; W101-Y106 HydrophobicContact CZ3-CE2 3.82Å; A102-Y106 HydrophobicContact CB-CD2 4.2Å; A102-Y106 WeakPolarHBondContact O-CB 3.2Å; A102-Y106 PolarHBondContact O-N 3.32Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.68Å; Y106-M403 HydrophobicContact CE2-CG 3.75Å; Y106-M403 HydrophobicContact CE2-SD 4.45Å; Y106-E407 PolarHBondContact OH-OE1 3.15Å; Y106-E407 VanDerWaalsContact OH-OE1 3.12Å; Y106-E407 PolarHBondContact OH-OE2 3.4Å
107T94.8Very high94.6Very high36 Ų3637.9 Ų37.922%0.22121%0.214CC..SBendtrans-120.3-97.7-174.761.10000111.8K103 G109 A110 E111 E401K103-T107 WeakPolarHBondContact CA-OG1 3.37Å; K103-T107 VanDerWaalsContact CG-OG1 3.29Å; K103-T107 WeakPolarHBondContact CG-OG1 3.41Å; K103-T107 PolarHBondContact O-OG1 3.36Å; K103-T107 VanDerWaalsContact O-OG1 3.07Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 2.87Å; T107-A110 WeakPolarHBondContact O-CB 3.37Å; T107-A110 PolarHBondContact O-N 3.24Å; T107-E111 PolarHBondContact O-N 2.85Å; T107-E401 WeakPolarHBondContact CB-OE2 3.32Å; T107-E401 HydrophobicContact CG2-CB 4.15Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.19Å; T107-E401 PolarHBondContact OG1-OE2 2.94Å
108E93.7Very high95.1Very high44 Ų4441.4 Ų41.421%0.20623%0.233CC..Hα-helixtrans-58.5-40.8-171.2-55.9-78.7-173.100112.5L68 S95 K103 L112L68-E108 HydrophobicContact CD1-CB 4.02Å; L68-E108 HydrophobicContact CD2-CB 3.98Å; S95-E108 VanDerWaalsContact CB-CD 3.47Å; S95-E108 WeakPolarHBondContact CB-OE1 3.42Å; S95-E108 VanDerWaalsContact CB-OE2 3.25Å; S95-E108 WeakPolarHBondContact CB-OE2 2.99Å; K103-E108 HydrophobicContact CD-CG 4.12Å; K103-E108 VanDerWaalsContact CE-CG 3.42Å; K103-E108 WeakPolarHBondContact CE-OE1 2.87Å; K103-E108 HydrophobicContact CG-CG 3.8Å; K103-E108 IonicContact NZ-OE1 2.75Å; K103-E108 PolarHBondContact NZ-OE1 3.19Å; K103-E108 PolarHBondContact O-N 3.5Å; E108-L112 PolarHBondContact O-N 3.4Å
109G93.1Very high95.6Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-75.4-31.1178.100000113.5K103 G104 T107 E111 L112 I113K103-G109 PolarHBondContact O-N 2.95Å; G104-G109 WeakPolarHBondContact O-CA 3.44Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 2.87Å; G109-E111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 3.37Å; G109-I113 WeakPolarHBondContact O-CB 3.47Å; G109-I113 PolarHBondContact O-N 3.04Å
110A94.4Very high95.9Very high35 Ų3535.3 Ų35.329%0.28919%0.185SC..Hα-helixtrans-66.5-35.3172.900000111.8T107 L112 I113 L150T107-A110 WeakPolarHBondContact O-CB 3.37Å; T107-A110 PolarHBondContact O-N 3.24Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.33Å; A110-I113 WeakPolarHBondContact O-CG2 3.13Å; A110-L150 HydrophobicContact CB-CD2 4.48Å
111E94.5Very high96Very high157 Ų15738 Ų3873%0.73419%0.194SC*.Hα-helixtrans-67.3-32174.9-68.9-174.9-179.400112.6T107 G109T107-E111 PolarHBondContact O-N 2.85Å; G109-E111 VanDerWaalsContact C-N 3.33Å
112L95.2Very high96Very high23 Ų2343.7 Ų43.712%0.1222%0.219CC..Hα-helixtrans-90.6-19.1-177.3-167.262.3000113.5L68 V91 E108 G109 A110 D114 S115 V116 M147L68-L112 HydrophobicContact CD2-CB 4.35Å; L68-L112 HydrophobicContact CD2-CD2 3.9Å; V91-L112 HydrophobicContact CG1-CD1 3.71Å; V91-L112 HydrophobicContact CG1-CD2 4.32Å; V91-L112 HydrophobicContact CG1-CG 3.94Å; E108-L112 PolarHBondContact O-N 3.4Å; G109-L112 PolarHBondContact O-N 3.37Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.33Å; L112-D114 PolarHBondContact O-N 3.26Å; L112-S115 WeakPolarHBondContact O-CB 3.26Å; L112-S115 PolarHBondContact O-N 3.38Å; L112-S115 VanDerWaalsContact O-N 3.16Å; L112-V116 HydrophobicContact CG-CG2 4.42Å; L112-V116 PolarHBondContact O-N 3.41Å; L112-M147 HydrophobicContact CB-CE 3.84Å; L112-M147 HydrophobicContact CD2-CE 3.81Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.86Å
113I96.1Very high96Very high10 Ų1044 Ų445%0.05122%0.22CC..Hα-helixtrans-61-40.8-167-162.363.6000113.6G109 A110 S115 V116 L117 M147 L150 L151G109-I113 WeakPolarHBondContact O-CB 3.47Å; G109-I113 PolarHBondContact O-N 3.04Å; A110-I113 WeakPolarHBondContact O-CG2 3.13Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 2.89Å; I113-V116 WeakPolarHBondContact O-CB 3.37Å; I113-V116 PolarHBondContact O-N 3.27Å; I113-L117 HydrophobicContact CG1-CD1 4.19Å; I113-L117 HydrophobicContact CG1-CG 4.38Å; I113-L117 WeakPolarHBondContact O-CG 3.3Å; I113-L117 PolarHBondContact O-N 2.88Å; I113-M147 HydrophobicContact CD1-CE 4.36Å; I113-M147 HydrophobicContact CD1-CG 4.46Å; I113-L150 HydrophobicContact CB-CD2 4.09Å; I113-L150 HydrophobicContact CD1-CD2 4.3Å; I113-L150 HydrophobicContact CD1-CG 4.29Å; I113-L150 HydrophobicContact CG1-CD2 4.02Å; I113-L150 HydrophobicContact CG1-CG 4.13Å; I113-L150 HydrophobicContact CG2-CD2 4.33Å; I113-L151 HydrophobicContact CD1-CB 3.71Å; I113-L151 HydrophobicContact CD1-CD1 3.8Å; I113-L151 HydrophobicContact CD1-CG 4.33Å
114D96.2Very high96Very high110 Ų11042.3 Ų42.359%0.58822%0.215SC*.Hα-helixtrans-61.9-37.9-179.2-70.5-23.7000111.3L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3.26Å; D114-V116 VanDerWaalsContact C-N 3.32Å; D114-V116 PolarHBondContact O-N 3.46Å; D114-L117 PolarHBondContact O-N 3.4Å; D114-D118 PolarHBondContact O-N 2.85Å
115S96.5Very high96Very high62 Ų6249 Ų4943%0.43425%0.246SC..Hα-helixtrans-66.6-35.9176.2-63.50000111.9L112 I113 V119L112-S115 WeakPolarHBondContact O-CB 3.26Å; L112-S115 PolarHBondContact O-N 3.38Å; L112-S115 VanDerWaalsContact O-N 3.16Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 2.89Å; S115-V119 WeakPolarHBondContact O-CG2 3.33Å; S115-V119 PolarHBondContact O-N 3.41Å
116V97.3Very high95.8Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-70.1-45175-178.30000110.7V64 M66 V91 L112 I113 D114 D118 V119 V120 M147 L151V64-V116 HydrophobicContact CG1-CG1 4.09Å; M66-V116 HydrophobicContact CB-CG1 4.44Å; M66-V116 HydrophobicContact CB-CG2 3.98Å; M66-V116 HydrophobicContact SD-CG1 3.85Å; M66-V116 HydrophobicContact SD-CG2 4.09Å; V91-V116 HydrophobicContact CB-CG2 3.91Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; V91-V116 HydrophobicContact CG2-CG2 4.43Å; L112-V116 HydrophobicContact CG-CG2 4.42Å; L112-V116 PolarHBondContact O-N 3.41Å; I113-V116 WeakPolarHBondContact O-CB 3.37Å; I113-V116 PolarHBondContact O-N 3.27Å; D114-V116 VanDerWaalsContact C-N 3.32Å; D114-V116 PolarHBondContact O-N 3.46Å; V116-D118 VanDerWaalsContact C-N 3.28Å; V116-D118 PolarHBondContact O-N 2.86Å; V116-V119 WeakPolarHBondContact O-CB 3.49Å; V116-V119 PolarHBondContact O-N 3.03Å; V116-V119 VanDerWaalsContact O-N 3.08Å; V116-V120 HydrophobicContact CG1-CG2 4.28Å; V116-V120 WeakPolarHBondContact O-CG2 3.42Å; V116-V120 PolarHBondContact O-N 3.32Å; V116-M147 HydrophobicContact CG2-CE 3.55Å; V116-L151 HydrophobicContact CG1-CD1 3.99Å; V116-L151 HydrophobicContact CG1-CD2 3.87Å
117L97.4Very high95.7Very high7 Ų748.1 Ų48.14%0.03725%0.249CC..Hα-helixtrans-59.6-39177.6-74.3170.4000111.7I113 D114 V119 V120 R121 L151 K154 I155I113-L117 HydrophobicContact CG1-CD1 4.19Å; I113-L117 HydrophobicContact CG1-CG 4.38Å; I113-L117 WeakPolarHBondContact O-CG 3.3Å; I113-L117 PolarHBondContact O-N 2.88Å; D114-L117 PolarHBondContact O-N 3.4Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.27Å; L117-V120 PolarHBondContact O-N 2.83Å; L117-R121 VanDerWaalsContact O-CB 3.3Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 PolarHBondContact O-N 3.01Å; L117-L151 HydrophobicContact CD2-CD1 3.69Å; L117-L151 HydrophobicContact CG-CD1 4.15Å; L117-K154 HydrophobicContact CD1-CB 3.84Å; L117-K154 HydrophobicContact CD1-CG 4.16Å; L117-K154 HydrophobicContact CD2-CB 3.88Å; L117-K154 HydrophobicContact CG-CB 4.41Å; L117-I155 HydrophobicContact CD2-CG1 4.22Å
118D97.5Very high95.6Very high76 Ų7653.2 Ų53.241%0.40628%0.275SS..Hα-helixtrans-61.3-37.9174.4-81.8-8.7000113D114 V116 R121 K122D114-D118 PolarHBondContact O-N 2.85Å; V116-D118 VanDerWaalsContact C-N 3.28Å; V116-D118 PolarHBondContact O-N 2.86Å; D118-R121 IonicContact OD1-CZ 2.91Å; D118-R121 IonicContact OD1-NH1 2.82Å; D118-R121 PolarHBondContact OD1-NH1 2.86Å; D118-K122 WeakPolarHBondContact O-CD 3.39Å; D118-K122 VanDerWaalsContact O-CG 3.23Å; D118-K122 WeakPolarHBondContact O-CG 3.41Å; D118-K122 PolarHBondContact O-N 2.81Å; D118-K122 VanDerWaalsContact O-N 3.14Å
119V97.5Very high95.6Very high12 Ų1254.4 Ų54.47%0.07329%0.287CS..Hα-helixtrans-71-44.3174.9174.30000110.7V64 N89 V91 S115 V116 L117 R121 K122 E123V64-V119 HydrophobicContact CB-CG1 4.49Å; V64-V119 HydrophobicContact CG1-CB 4.48Å; V64-V119 HydrophobicContact CG1-CG1 3.97Å; V64-V119 HydrophobicContact CG2-CG1 3.85Å; N89-V119 HydrophobicContact CB-CG1 4.13Å; V91-V119 HydrophobicContact CG2-CB 4.35Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å; S115-V119 WeakPolarHBondContact O-CG2 3.33Å; S115-V119 PolarHBondContact O-N 3.41Å; V116-V119 WeakPolarHBondContact O-CB 3.49Å; V116-V119 PolarHBondContact O-N 3.03Å; V116-V119 VanDerWaalsContact O-N 3.08Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.27Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.95Å; V119-K122 PolarHBondContact O-N 2.98Å; V119-E123 PolarHBondContact O-N 2.8Å
120V97.8Very high95.7Very high1 Ų155 Ų551%0.00629%0.291CS..Hα-helixtrans-57-46176168.70000110.5L5 I7 V64 V116 L117 E123 A124 F133 I155L5-V120 HydrophobicContact CD2-CB 4.26Å; L5-V120 HydrophobicContact CD2-CG1 3.86Å; L5-V120 HydrophobicContact CD2-CG2 4.28Å; I7-V120 HydrophobicContact CD1-CG2 3.94Å; V64-V120 HydrophobicContact CG1-CG2 4.33Å; V64-V120 HydrophobicContact CG2-CG2 4.12Å; V116-V120 HydrophobicContact CG1-CG2 4.28Å; V116-V120 WeakPolarHBondContact O-CG2 3.42Å; V116-V120 PolarHBondContact O-N 3.32Å; L117-V120 PolarHBondContact O-N 2.83Å; V120-E123 PolarHBondContact O-N 3.09Å; V120-A124 VanDerWaalsContact O-CB 3.26Å; V120-A124 WeakPolarHBondContact O-CB 3.41Å; V120-A124 PolarHBondContact O-N 3.35Å; V120-F133 HydrophobicContact CG1-CD1 4.42Å; V120-F133 HydrophobicContact CG1-CE1 3.69Å; V120-F133 HydrophobicContact CG1-CZ 4.39Å; V120-I155 HydrophobicContact CG1-CD1 4.12Å; V120-I155 HydrophobicContact CG1-CG1 4.25Å; V120-I155 HydrophobicContact CG2-CD1 4.47Å
121R97.2Very high95.6Very high70 Ų7054.3 Ų54.326%0.26428%0.281SS..Hα-helixtrans-61.5-46.8178.4-166.4175.7-53.2110.31111.9L117 D118 V119 E123 A124 E125 E158L117-R121 VanDerWaalsContact O-CB 3.3Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 2.91Å; D118-R121 IonicContact OD1-NH1 2.82Å; D118-R121 PolarHBondContact OD1-NH1 2.86Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.95Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 3.18Å; R121-A124 PolarHBondContact O-N 3.24Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.26Å; R121-E125 PolarHBondContact O-N 3.32Å; R121-E158 IonicContact CZ-OE1 3.72Å; R121-E158 IonicContact CZ-OE2 3.69Å; R121-E158 IonicContact NE-OE2 2.76Å; R121-E158 PolarHBondContact NE-OE2 3.45Å; R121-E158 VanDerWaalsContact NE-OE2 3.15Å; R121-E158 VanDerWaalsContact NH2-CD 3.35Å; R121-E158 IonicContact NH2-OE1 2.9Å; R121-E158 PolarHBondContact NH2-OE1 3.19Å; R121-E158 IonicContact NH2-OE2 3.92Å; R121-E158 PolarHBondContact NH2-OE2 3.45Å; R121-E158 VanDerWaalsContact NH2-OE2 3.11Å
122K96.6Very high95.7Very high121 Ų12146.8 Ų46.853%0.52625%0.246SC..Hα-helixtrans-59-43.5175.9-74166.9-171.1165.90112.2D118 V119 N126D118-K122 WeakPolarHBondContact O-CD 3.39Å; D118-K122 VanDerWaalsContact O-CG 3.23Å; D118-K122 WeakPolarHBondContact O-CG 3.41Å; D118-K122 PolarHBondContact O-N 2.81Å; D118-K122 VanDerWaalsContact O-N 3.14Å; V119-K122 PolarHBondContact O-N 2.98Å; K122-N126 WeakPolarHBondContact O-CB 3.21Å; K122-N126 PolarHBondContact O-N 2.88Å; K122-N126 VanDerWaalsContact O-N 3.12Å; K122-N126 PolarHBondContact O-ND2 3.3Å
123E96.1Very high95.8Very high6 Ų645.8 Ų45.83%0.02824%0.241CC..Hα-helixtrans-73.7-33.6179.8-69.5-64.9134.100112.5L5 R86 N89 V119 V120 R121 N126 C127L5-E123 HydrophobicContact CD1-CB 3.47Å; L5-E123 VanDerWaalsContact CD1-CB 3.47Å; L5-E123 HydrophobicContact CD1-CG 4.18Å; L5-E123 HydrophobicContact CD2-CB 4.19Å; L5-E123 HydrophobicContact CG-CB 4.5Å; R86-E123 IonicContact NH1-OE1 2.7Å; R86-E123 PolarHBondContact NH1-OE1 2.82Å; N89-E123 PolarHBondContact ND2-OE1 2.78Å; V119-E123 PolarHBondContact O-N 2.8Å; V120-E123 PolarHBondContact O-N 3.09Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 3.18Å; E123-N126 PolarHBondContact O-N 3.5Å; E123-C127 PolarHBondContact O-N 3.29Å; E123-C127 PolarHBondContact O-SG 3.21Å
124A95.5Very high95.8Very high10 Ų1045.3 Ų45.38%0.08324%0.238CC..Hα-helixtrans-65.1-43172.500000112V120 R121 N126 C127 L130 Y159V120-A124 VanDerWaalsContact O-CB 3.26Å; V120-A124 WeakPolarHBondContact O-CB 3.41Å; V120-A124 PolarHBondContact O-N 3.35Å; R121-A124 PolarHBondContact O-N 3.24Å; A124-N126 VanDerWaalsContact C-N 3.27Å; A124-N126 PolarHBondContact O-N 2.93Å; A124-C127 WeakPolarHBondContact O-CB 3.25Å; A124-C127 PolarHBondContact O-N 2.86Å; A124-C127 VanDerWaalsContact O-N 3.1Å; A124-L130 HydrophobicContact CB-CD2 3.91Å; A124-Y159 HydrophobicContact CB-CE1 4.21Å
125E95.2Very high95.9Very high141 Ų14140.1 Ų40.166%0.65921%0.21SC*.Hα-helixtrans-66.6-27.5174.9-72.9173.6177.300112.7R121 C127R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.26Å; R121-E125 PolarHBondContact O-N 3.32Å; E125-C127 PolarHBondContact O-N 3.49Å
126N93.7Very high96Very high73 Ų7337.1 Ų37.139%0.3919%0.19SC..THydrogen-bonded Turntrans-78.63.8172.8-70.3-34.7000113.4R62 K122 E123 A124R62-N126 PolarHBondContact NH1-O 3.06Å; K122-N126 WeakPolarHBondContact O-CB 3.21Å; K122-N126 PolarHBondContact O-N 2.88Å; K122-N126 VanDerWaalsContact O-N 3.12Å; K122-N126 PolarHBondContact O-ND2 3.3Å; E123-N126 PolarHBondContact O-N 3.5Å; A124-N126 VanDerWaalsContact C-N 3.27Å; A124-N126 PolarHBondContact O-N 2.93Å
127C94.1Very high96Very high16 Ų1637.1 Ų37.111%0.10819%0.19CC..  trans-98136.2174-63.20000110.3E3 R62 E123 A124 E125 L130E3-C127 HydrophobicContact CB-CB 4.09Å; R62-C127 PolarHBondContact NH1-SG 3.04Å; R62-C127 VanDerWaalsContact NH1-SG 3.35Å; E123-C127 PolarHBondContact O-N 3.29Å; E123-C127 PolarHBondContact O-SG 3.21Å; A124-C127 WeakPolarHBondContact O-CB 3.25Å; A124-C127 PolarHBondContact O-N 2.86Å; A124-C127 VanDerWaalsContact O-N 3.1Å; E125-C127 PolarHBondContact O-N 3.49Å; C127-L130 HydrophobicContact CB-CB 4.1Å
128D92.8Very high95.9Very high143 Ų14337.5 Ų37.577%0.76519%0.193SC*.SBendtrans-69.8-39.3176.7-66.5-33.5000111.6E3E3-D128 PolarHBondContact OE2-N 3.08Å
129C92.4Very high95.8Very high70 Ų7033.9 Ų33.947%0.47317%0.173SC..SBendtrans-152.185.9174.41740000109.8M1 R2 E3 Q131M1-C129 WeakPolarHBondContact O-CB 3.35Å; M1-C129 VanDerWaalsContact O-O 3.06Å; R2-C129 WeakPolarHBondContact CA-O 3.37Å; E3-C129 PolarHBondContact N-O 3.37Å; E3-C129 VanDerWaalsContact N-O 3.08Å; E3-C129 WeakPolarHBondContact OE2-CA 3.45Å; E3-C129 PolarHBondContact OE2-N 3.03Å; C129-Q131 PolarHBondContact O-N 3.42Å
130L95Very high95.5Very high13 Ų1333.3 Ų33.37%0.06817%0.17CC..EExtended strand (participates in β ladder)trans-56.8122173.4-179.368.1000110.7L5 A124 C127 G132 F133 Y159 R162L5-L130 HydrophobicContact CB-CD1 4.47Å; A124-L130 HydrophobicContact CB-CD2 3.91Å; C127-L130 HydrophobicContact CB-CB 4.1Å; L130-G132 WeakPolarHBondContact CD1-O 3.48Å; L130-F133 HydrophobicContact CD2-CE1 4.24Å; L130-F133 HydrophobicContact CD2-CE2 4.06Å; L130-F133 HydrophobicContact CD2-CZ 3.65Å; L130-Y159 HydrophobicContact CD2-CD1 4.47Å; L130-R162 HydrophobicContact CD2-CG 4.22Å; L130-R162 WeakPolarHBondContact O-CD 3.24Å; L130-R162 PolarHBondContact O-NE 3.3Å
131Q93.3Very high95.2Very high19 Ų1934.2 Ų34.29%0.08918%0.179CC..EExtended strand (participates in β ladder)trans-85.1-40.3174.1176177.776.600112R2 E3 I4 C129 M163 L250R2-Q131 HydrophobicContact CB-CB 4.11Å; E3-Q131 WeakPolarHBondContact O-CB 3.38Å; E3-Q131 PolarHBondContact O-N 3.11Å; I4-Q131 VanDerWaalsContact CD1-OE1 3.31Å; I4-Q131 HydrophobicContact CG1-CB 4.45Å; C129-Q131 PolarHBondContact O-N 3.42Å; Q131-M163 PolarHBondContact O-N 2.85Å; Q131-L250 HydrophobicContact CG-CB 4.19Å; Q131-L250 HydrophobicContact CG-CD1 4.2Å; Q131-L250 HydrophobicContact CG-CG 4.32Å
132G95.9Very high94.9Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans171.4-175.4-17100000114.1I4 L5 L130 M163I4-G132 WeakPolarHBondContact CA-O 3.49Å; L5-G132 PolarHBondContact N-O 2.93Å; L130-G132 WeakPolarHBondContact CD1-O 3.48Å; G132-M163 CarbonylContact C-O 3.55Å; G132-M163 WeakPolarHBondContact CA-O 3.41Å
133F97.8Very high94.8Very high1 Ų125.9 Ų25.90%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-115.7141-179.4-56.7-87.6000109.1L5 I7 V120 L130 I155 Y159 R162 M163 M164 L165L5-F133 HydrophobicContact CB-CD1 3.87Å; L5-F133 HydrophobicContact CB-CE1 4.21Å; L5-F133 HydrophobicContact CD2-CD1 3.9Å; L5-F133 HydrophobicContact CD2-CE1 3.79Å; L5-F133 HydrophobicContact CG-CD1 4.38Å; L5-F133 WeakPolarHBondContact O-CA 3.4Å; I7-F133 HydrophobicContact CD1-CD1 4Å; V120-F133 HydrophobicContact CG1-CD1 4.42Å; V120-F133 HydrophobicContact CG1-CE1 3.69Å; V120-F133 HydrophobicContact CG1-CZ 4.39Å; L130-F133 HydrophobicContact CD2-CE1 4.24Å; L130-F133 HydrophobicContact CD2-CE2 4.06Å; L130-F133 HydrophobicContact CD2-CZ 3.65Å; F133-I155 HydrophobicContact CD1-CD1 4.29Å; F133-I155 HydrophobicContact CD1-CG2 4.19Å; F133-I155 HydrophobicContact CD2-CG2 3.36Å; F133-I155 HydrophobicContact CE1-CG2 4.14Å; F133-I155 HydrophobicContact CE2-CG2 3.29Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.69Å; F133-Y159 AromaticContact CE2-CD2 3.97Å; F133-Y159 HydrophobicContact CE2-CD2 3.97Å; F133-Y159 AromaticContact CE2-CG 3.89Å; F133-Y159 HydrophobicContact CE2-CG 3.89Å; F133-Y159 HydrophobicContact CZ-CD1 4.36Å; F133-Y159 AromaticContact CZ-CD2 3.62Å; F133-Y159 HydrophobicContact CZ-CD2 3.62Å; F133-Y159 AromaticContact CZ-CE2 3.98Å; F133-Y159 HydrophobicContact CZ-CE2 3.98Å; F133-Y159 AromaticContact CZ-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CG 3.83Å; F133-R162 HydrophobicContact CD2-CB 4.36Å; F133-R162 HydrophobicContact CE2-CB 4Å; F133-M163 PolarHBondContact N-O 3.48Å; F133-M164 HydrophobicContact CB-CE 3.95Å; F133-M164 HydrophobicContact CB-SD 3.9Å; F133-M164 HydrophobicContact CD2-CE 4.16Å; F133-M164 HydrophobicContact CG-CE 4.27Å; F133-L165 PolarHBondContact O-N 3.2Å
134Q97.1Very high94.6Very high1 Ų125.8 Ų25.81%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-116.6109.4171.4-179.8-176-18.500108.9I4 L5 H6 I7 Y50 L165 F167I4-Q134 HydrophobicContact CG2-CB 3.91Å; L5-Q134 PolarHBondContact O-N 2.86Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.49Å; H6-Q134 VanDerWaalsContact CD2-CD 3.42Å; H6-Q134 PolarHBondContact CD2-NE2 3.01Å; I7-Q134 PolarHBondContact N-O 3.44Å; Y50-Q134 PolarHBondContact OH-OE1 2.87Å; Q134-L165 CarbonylContact C-O 3.53Å; Q134-L165 VanDerWaalsContact CA-O 3.23Å; Q134-L165 WeakPolarHBondContact CA-O 3.26Å; Q134-L165 HydrophobicContact CG-CD2 4.3Å; Q134-L165 HydrophobicContact CG-CG 4.44Å; Q134-F167 HydrophobicContact CG-CD2 3.8Å; Q134-F167 HydrophobicContact CG-CE2 3.73Å
135V97.9Very high94.6Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-102.2126.6-177.8-175.30000109.9I7 H137 I152 M164 L165 T166 F167I7-V135 HydrophobicContact CB-CG2 4.21Å; I7-V135 HydrophobicContact CD1-CG2 4.43Å; I7-V135 CarbonylContact O-C 3.39Å; I7-V135 WeakPolarHBondContact O-CA 3.38Å; V135-H137 HydrophobicContact CG1-CB 4.42Å; V135-I152 HydrophobicContact CB-CD1 4.37Å; V135-I152 HydrophobicContact CB-CG1 4.39Å; V135-I152 HydrophobicContact CG1-CD1 4.09Å; V135-I152 HydrophobicContact CG1-CG1 4.25Å; V135-I152 HydrophobicContact CG2-CG1 4Å; V135-M164 HydrophobicContact CG2-SD 3.57Å; V135-M164 VanDerWaalsContact CG2-SD 3.57Å; V135-L165 PolarHBondContact N-O 3.38Å; V135-T166 HydrophobicContact CB-CG2 4.3Å; V135-T166 CarbonylContact O-C 3.17Å; V135-T166 WeakPolarHBondContact O-CA 3.43Å; V135-F167 PolarHBondContact O-N 2.95Å
136C97.7Very high94.7Very high0 Ų018.6 Ų18.60%011%0.112CC..EExtended strand (participates in β ladder)trans-110.3118.2171.5-1730000109.6I7 G9 G13 I16 M233I7-C136 PolarHBondContact O-N 3.38Å; G9-C136 PolarHBondContact N-O 3.08Å; G13-C136 WeakPolarHBondContact CA-O 3.38Å; I16-C136 WeakPolarHBondContact CG2-SG 3.23Å; C136-M233 HydrophobicContact CB-CE 4.32Å
137H97.5Very high94.8Very high0 Ų015.1 Ų15.10%09%0.094CC..EExtended strand (participates in β ladder)trans-153.5168.4-175.274.1148.6000112.6V135 L139 G144 F167 S168 V169V135-H137 HydrophobicContact CG1-CB 4.42Å; H137-L139 VanDerWaalsContact CE1-CD2 3.41Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.42Å; H137-G144 WeakPolarHBondContact CB-O 3.26Å; H137-G144 PolarHBondContact ND1-O 3.33Å; H137-F167 PolarHBondContact N-O 3.25Å; H137-F167 VanDerWaalsContact N-O 3.15Å; H137-S168 PolarHBondContact NE2-OG 2.98Å; H137-V169 PolarHBondContact O-N 3.06Å
138S95.9Very high94.9Very high14 Ų1414.3 Ų14.310%0.0989%0.089CC..EExtended strand (participates in β ladder)trans-114.8133.8175.6169.70000110.3G140 G144 S145S138-G140 VanDerWaalsContact C-N 3.31Å; S138-G140 PolarHBondContact OG-N 2.74Å; S138-G144 CarbonylContact O-C 3.52Å; S138-S145 WeakPolarHBondContact O-CA 3.49Å; S138-S145 WeakPolarHBondContact O-CB 3.42Å; S138-S145 PolarHBondContact O-N 3.06Å
139L95.7Very high95.1Very high0 Ų07.6 Ų7.60%05%0.052CC..SBendtrans-81.8-12.9178.4-47.3-170.2000112.3H137 S145 V169 F170 N184 A185 V189 L192H137-L139 VanDerWaalsContact CE1-CD2 3.41Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.42Å; L139-S145 WeakPolarHBondContact O-CB 3.38Å; L139-V169 PolarHBondContact N-O 3.45Å; L139-F170 HydrophobicContact CD1-CD1 3.91Å; L139-F170 HydrophobicContact CD1-CD2 3.87Å; L139-F170 HydrophobicContact CD1-CE1 3.57Å; L139-F170 HydrophobicContact CD1-CE2 3.52Å; L139-F170 HydrophobicContact CD1-CG 4.07Å; L139-F170 HydrophobicContact CD1-CZ 3.37Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 WeakPolarHBondContact O-CB 3.49Å; L139-A185 HydrophobicContact CB-CB 4.39Å; L139-A185 PolarHBondContact O-N 2.96Å; L139-V189 HydrophobicContact CD1-CG2 4.19Å; L139-L192 HydrophobicContact CD1-CD1 4.01Å; L139-L192 HydrophobicContact CD2-CD1 3.83Å
140G91.1Very high95.3Very high1 Ų15 Ų51%0.013%0.034CC..SBendtrans-88.2-27.2177.600000114.5S138 N184S138-G140 VanDerWaalsContact C-N 3.31Å; S138-G140 PolarHBondContact OG-N 2.74Å; G140-N184 PolarHBondContact O-ND2 3.48Å
141G90.1Very high95.5Very high19 Ų194.4 Ų4.420%0.1963%0.031CC..SBendtrans-73.2-178.3-178.600000112.9S145 N184G141-S145 WeakPolarHBondContact O-CB 3.45Å; G141-S145 PolarHBondContact O-OG 3.41Å; G141-N184 PolarHBondContact O-ND2 3.28Å
142G91.4Very high95.7Very high3 Ų33.6 Ų3.63%0.0313%0.027CC..SBendtrans-92.3-48.6171.300000112.5S145 G146G142-S145 PolarHBondContact O-OG 2.97Å; G142-G146 PolarHBondContact O-N 3.21Å
143T94.7Very high95.7Very high13 Ų134.5 Ų4.58%0.083%0.034CC..Iπ-helixtrans-69.1-51.6179-45.80000112.2D67 L68 S145 M147 G148D67-T143 PolarHBondContact OD1-OG1 3.22Å; L68-T143 HydrophobicContact CB-CG2 4.25Å; L68-T143 HydrophobicContact CD1-CG2 4.05Å; L68-T143 HydrophobicContact CG-CG2 3.81Å; T143-S145 VanDerWaalsContact C-N 3.27Å; T143-S145 PolarHBondContact O-N 3.15Å; T143-M147 HydrophobicContact CG2-CB 4.3Å; T143-M147 HydrophobicContact CG2-SD 4.13Å; T143-M147 WeakPolarHBondContact O-CA 3.37Å; T143-M147 VanDerWaalsContact O-CB 3.27Å; T143-M147 WeakPolarHBondContact O-CB 3.27Å; T143-M147 PolarHBondContact O-N 3.34Å; T143-M147 VanDerWaalsContact O-N 3.15Å; T143-G148 PolarHBondContact O-N 3.42Å
144G92.8Very high95.7Very high4 Ų47.6 Ų7.64%0.0415%0.047CC..Iπ-helixtrans-64.5-33.1-176.800000113H137 S138 G148H137-G144 WeakPolarHBondContact CB-O 3.26Å; H137-G144 PolarHBondContact ND1-O 3.33Å; S138-G144 CarbonylContact O-C 3.52Å; G144-G148 VanDerWaalsContact O-CA 3.31Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å
145S95.3Very high95.7Very high0 Ų07.6 Ų7.60%05%0.047CC..Iπ-helixtrans-83-67.3-178.475.10000109.2W101 S138 L139 G141 G142 T143 T149 S188W101-S145 VanDerWaalsContact CD1-C 3.46Å; S138-S145 WeakPolarHBondContact O-CA 3.49Å; S138-S145 WeakPolarHBondContact O-CB 3.42Å; S138-S145 PolarHBondContact O-N 3.06Å; L139-S145 WeakPolarHBondContact O-CB 3.38Å; G141-S145 WeakPolarHBondContact O-CB 3.45Å; G141-S145 PolarHBondContact O-OG 3.41Å; G142-S145 PolarHBondContact O-OG 2.97Å; T143-S145 VanDerWaalsContact C-N 3.27Å; T143-S145 PolarHBondContact O-N 3.15Å; S145-T149 WeakPolarHBondContact O-CB 3.35Å; S145-T149 VanDerWaalsContact O-CG2 3.3Å; S145-T149 WeakPolarHBondContact O-CG2 3.48Å; S145-T149 PolarHBondContact O-N 3.42Å; S145-T149 PolarHBondContact O-OG1 2.82Å; S145-S188 VanDerWaalsContact CB-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.46Å
146G96Very high95.7Very high0 Ų09.6 Ų9.60%06%0.055CC..Iπ-helixtrans-65.6-59.2-174.500000113.9W101 G104 H105 G142 G148 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.4Å; W101-G146 VanDerWaalsContact CD1-N 3.25Å; W101-G146 WeakPolarHBondContact O-CA 3.38Å; G104-G146 CarbonylContact O-C 3.57Å; H105-G146 PolarHBondContact ND1-O 3.26Å; G142-G146 PolarHBondContact O-N 3.21Å; G146-G148 VanDerWaalsContact C-N 3.35Å; G146-T149 PolarHBondContact O-OG1 3.39Å; G146-L150 VanDerWaalsContact O-CB 3.31Å; G146-L150 WeakPolarHBondContact O-CB 3.36Å; G146-L150 PolarHBondContact O-N 3.49Å
147M96.5Very high95.6Very high0 Ų015.2 Ų15.20%08%0.081CC..Iπ-helixtrans-70.3-35.8-180-171-170.9177.400110.9M66 L68 G104 L112 I113 V116 T143 L150 L151M66-M147 HydrophobicContact SD-CE 3.7Å; M66-M147 HydrophobicContact SD-CG 4.36Å; M66-M147 HydrophobicContact SD-SD 4.08Å; L68-M147 HydrophobicContact CD2-SD 4.07Å; L68-M147 HydrophobicContact CG-SD 4.11Å; G104-M147 VanDerWaalsContact O-CA 3.23Å; G104-M147 WeakPolarHBondContact O-CA 3.22Å; G104-M147 WeakPolarHBondContact O-CB 3.48Å; G104-M147 PolarHBondContact O-N 3.23Å; G104-M147 VanDerWaalsContact O-N 3.15Å; L112-M147 HydrophobicContact CB-CE 3.84Å; L112-M147 HydrophobicContact CD2-CE 3.81Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.86Å; I113-M147 HydrophobicContact CD1-CE 4.36Å; I113-M147 HydrophobicContact CD1-CG 4.46Å; V116-M147 HydrophobicContact CG2-CE 3.55Å; T143-M147 HydrophobicContact CG2-CB 4.3Å; T143-M147 HydrophobicContact CG2-SD 4.13Å; T143-M147 WeakPolarHBondContact O-CA 3.37Å; T143-M147 VanDerWaalsContact O-CB 3.27Å; T143-M147 WeakPolarHBondContact O-CB 3.27Å; T143-M147 PolarHBondContact O-N 3.34Å; T143-M147 VanDerWaalsContact O-N 3.15Å; M147-L150 PolarHBondContact O-N 3.32Å; M147-L151 WeakPolarHBondContact O-CB 3.31Å; M147-L151 PolarHBondContact O-N 3.27Å
148G96.4Very high95.6Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-62.7-46.4176.900000113.1T143 G144 G146 L151 I152T143-G148 PolarHBondContact O-N 3.42Å; G144-G148 VanDerWaalsContact O-CA 3.31Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G146-G148 VanDerWaalsContact C-N 3.35Å; G148-L151 PolarHBondContact O-N 3.22Å; G148-I152 WeakPolarHBondContact O-CG1 3.26Å; G148-I152 PolarHBondContact O-N 2.94Å
149T97Very high95.6Very high1 Ų120.3 Ų20.31%0.00610%0.102CC..Hα-helixtrans-73.1-33.5176.859.60000112.8W101 S145 G146 L151 I152 S153 Q191 L192W101-T149 PolarHBondContact NE1-OG1 3.01Å; S145-T149 WeakPolarHBondContact O-CB 3.35Å; S145-T149 VanDerWaalsContact O-CG2 3.3Å; S145-T149 WeakPolarHBondContact O-CG2 3.48Å; S145-T149 PolarHBondContact O-N 3.42Å; S145-T149 PolarHBondContact O-OG1 2.82Å; G146-T149 PolarHBondContact O-OG1 3.39Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.18Å; T149-I152 PolarHBondContact O-N 3.19Å; T149-S153 PolarHBondContact O-N 2.91Å; T149-Q191 HydrophobicContact CG2-CB 4.02Å; T149-L192 HydrophobicContact CG2-CG 4.5Å
150L97.1Very high95.6Very high17 Ų1724 Ų249%0.08913%0.125CC..Hα-helixtrans-56.9-46170.3179.463.3000111.1H105 A110 I113 G146 M147 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.49Å; A110-L150 HydrophobicContact CB-CD2 4.48Å; I113-L150 HydrophobicContact CB-CD2 4.09Å; I113-L150 HydrophobicContact CD1-CD2 4.3Å; I113-L150 HydrophobicContact CD1-CG 4.29Å; I113-L150 HydrophobicContact CG1-CD2 4.02Å; I113-L150 HydrophobicContact CG1-CG 4.13Å; I113-L150 HydrophobicContact CG2-CD2 4.33Å; G146-L150 VanDerWaalsContact O-CB 3.31Å; G146-L150 WeakPolarHBondContact O-CB 3.36Å; G146-L150 PolarHBondContact O-N 3.49Å; M147-L150 PolarHBondContact O-N 3.32Å; L150-S153 PolarHBondContact O-N 2.89Å; L150-K154 HydrophobicContact CD1-CG 4.46Å; L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 3.42Å
151L97.5Very high95.7Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-62.7-43177-178.263.3000112.1I7 M66 I113 V116 L117 M147 G148 T149 S153 K154 I155I7-L151 HydrophobicContact CD1-CD2 4.28Å; I7-L151 HydrophobicContact CG2-CD2 3.59Å; M66-L151 HydrophobicContact CE-CB 4.12Å; M66-L151 HydrophobicContact CE-CD2 3.46Å; M66-L151 VanDerWaalsContact CE-CD2 3.46Å; M66-L151 HydrophobicContact CE-CG 4.45Å; M66-L151 HydrophobicContact SD-CD2 3.64Å; I113-L151 HydrophobicContact CD1-CB 3.71Å; I113-L151 HydrophobicContact CD1-CD1 3.8Å; I113-L151 HydrophobicContact CD1-CG 4.33Å; V116-L151 HydrophobicContact CG1-CD1 3.99Å; V116-L151 HydrophobicContact CG1-CD2 3.87Å; L117-L151 HydrophobicContact CD2-CD1 3.69Å; L117-L151 HydrophobicContact CG-CD1 4.15Å; M147-L151 WeakPolarHBondContact O-CB 3.31Å; M147-L151 PolarHBondContact O-N 3.27Å; G148-L151 PolarHBondContact O-N 3.22Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.18Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 3.34Å; L151-K154 PolarHBondContact O-N 3.17Å; L151-I155 HydrophobicContact CD1-CD1 3.88Å; L151-I155 HydrophobicContact CD1-CG1 4.03Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.71Å; L151-I155 HydrophobicContact CG-CG1 4.24Å; L151-I155 WeakPolarHBondContact O-CB 3.28Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.14Å
152I97.8Very high96Very high1 Ų132.7 Ų32.71%0.00516%0.16CC..Hα-helixtrans-58.7-46.3177.5-71.5162.1000110.5V135 G148 T149 I155 R156 M164 T166 L192 N195V135-I152 HydrophobicContact CB-CD1 4.37Å; V135-I152 HydrophobicContact CB-CG1 4.39Å; V135-I152 HydrophobicContact CG1-CD1 4.09Å; V135-I152 HydrophobicContact CG1-CG1 4.25Å; V135-I152 HydrophobicContact CG2-CG1 4Å; G148-I152 WeakPolarHBondContact O-CG1 3.26Å; G148-I152 PolarHBondContact O-N 2.94Å; T149-I152 PolarHBondContact O-N 3.19Å; I152-I155 PolarHBondContact O-N 2.84Å; I152-R156 WeakPolarHBondContact O-CB 3.48Å; I152-R156 PolarHBondContact O-N 3.41Å; I152-M164 HydrophobicContact CG1-SD 4.2Å; I152-M164 HydrophobicContact CG2-CE 4.3Å; I152-M164 HydrophobicContact CG2-CG 3.96Å; I152-M164 HydrophobicContact CG2-SD 4.28Å; I152-T166 HydrophobicContact CD1-CG2 3.86Å; I152-L192 HydrophobicContact CD1-CD2 3.89Å; I152-N195 HydrophobicContact CG2-CB 3.66Å
153S97Very high96.2Very high20 Ų2033.1 Ų33.114%0.1416%0.162CC..Hα-helixtrans-61.2-46.2176.6175.40000111.9T149 L150 L151 I155 R156 E157T149-S153 PolarHBondContact O-N 2.91Å; L150-S153 PolarHBondContact O-N 2.89Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 3.34Å; S153-I155 PolarHBondContact O-N 3.2Å; S153-R156 WeakPolarHBondContact O-CB 3.45Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 VanDerWaalsContact O-N 3.14Å; S153-E157 WeakPolarHBondContact O-CG 3.3Å; S153-E157 PolarHBondContact O-N 3.16Å
154K97.4Very high96.3Very high65 Ų6532.6 Ų32.628%0.28316%0.158SC..Hα-helixtrans-65.4-37.5177.8-68.7-69.7165.4-141.60113.8L117 L150 L151 R156 E157 E158L117-K154 HydrophobicContact CD1-CB 3.84Å; L117-K154 HydrophobicContact CD1-CG 4.16Å; L117-K154 HydrophobicContact CD2-CB 3.88Å; L117-K154 HydrophobicContact CG-CB 4.41Å; L150-K154 HydrophobicContact CD1-CG 4.46Å; L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 3.42Å; L151-K154 PolarHBondContact O-N 3.17Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-E157 IonicContact NZ-OE1 3.71Å; K154-E157 PolarHBondContact NZ-OE1 3.11Å; K154-E157 IonicContact NZ-OE2 3.02Å; K154-E157 PolarHBondContact NZ-OE2 3.28Å; K154-E157 PolarHBondContact O-N 3.42Å; K154-E158 PolarHBondContact O-N 3.2Å; K154-E158 VanDerWaalsContact O-N 3.08Å
155I97.6Very high96.5Very high1 Ų132.5 Ų32.51%0.00516%0.157CC..Hα-helixtrans-66.4-38.1173.6-69.6172.8000110.5I7 L117 V120 F133 L151 I152 S153 E157 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.39Å; L117-I155 HydrophobicContact CD2-CG1 4.22Å; V120-I155 HydrophobicContact CG1-CD1 4.12Å; V120-I155 HydrophobicContact CG1-CG1 4.25Å; V120-I155 HydrophobicContact CG2-CD1 4.47Å; F133-I155 HydrophobicContact CD1-CD1 4.29Å; F133-I155 HydrophobicContact CD1-CG2 4.19Å; F133-I155 HydrophobicContact CD2-CG2 3.36Å; F133-I155 HydrophobicContact CE1-CG2 4.14Å; F133-I155 HydrophobicContact CE2-CG2 3.29Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.69Å; L151-I155 HydrophobicContact CD1-CD1 3.88Å; L151-I155 HydrophobicContact CD1-CG1 4.03Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.71Å; L151-I155 HydrophobicContact CG-CG1 4.24Å; L151-I155 WeakPolarHBondContact O-CB 3.28Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.14Å; I152-I155 PolarHBondContact O-N 2.84Å; S153-I155 PolarHBondContact O-N 3.2Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 2.94Å; I155-E158 PolarHBondContact O-N 2.81Å; I155-Y159 HydrophobicContact CG2-CD2 4.1Å; I155-Y159 WeakPolarHBondContact O-CA 3.45Å; I155-Y159 WeakPolarHBondContact O-CB 3.48Å; I155-Y159 PolarHBondContact O-N 3.21Å; I155-M164 HydrophobicContact CB-CE 3.74Å; I155-M164 HydrophobicContact CD1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.37Å
156R96.5Very high96.7Very high43 Ų4332.5 Ų32.516%0.16216%0.157CC..Hα-helixtrans-62.1-40.1175178.759.563-1786.5111.7I152 S153 K154 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.48Å; I152-R156 PolarHBondContact O-N 3.41Å; S153-R156 WeakPolarHBondContact O-CB 3.45Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 VanDerWaalsContact O-N 3.14Å; K154-R156 VanDerWaalsContact C-N 3.32Å; R156-P160 PolarHBondContact NH1-O 3.24Å; R156-P160 VanDerWaalsContact NH1-O 3.14Å; R156-P160 VanDerWaalsContact O-CA 3.29Å; R156-P160 WeakPolarHBondContact O-CA 3.32Å; R156-R162 PolarHBondContact NH1-O 3.29Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; R156-N195 HydrophobicContact CB-CB 4.34Å; R156-N195 PolarHBondContact NE-O 3.18Å; R156-N195 PolarHBondContact NH2-O 3.1Å; R156-D197 IonicContact CZ-OD1 3.81Å; R156-D197 IonicContact CZ-OD2 3.95Å; R156-D197 IonicContact NH1-OD1 3.85Å; R156-D197 IonicContact NH1-OD2 2.75Å; R156-D197 PolarHBondContact NH1-OD2 3.11Å; R156-D197 IonicContact NH2-OD1 3.66Å; R156-D197 PolarHBondContact NH2-OD1 2.76Å; R156-D197 IonicContact NH2-OD2 2.66Å; R156-D197 PolarHBondContact NH2-OD2 3.27Å
157E96.5Very high96.8Very high118 Ų11832.5 Ų32.555%0.55116%0.157SC*.Hα-helixtrans-62.4-45.9174.3-70173.1-159.400112.2S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.3Å; S153-E157 PolarHBondContact O-N 3.16Å; K154-E157 IonicContact NZ-OE1 3.71Å; K154-E157 PolarHBondContact NZ-OE1 3.11Å; K154-E157 IonicContact NZ-OE2 3.02Å; K154-E157 PolarHBondContact NZ-OE2 3.28Å; K154-E157 PolarHBondContact O-N 3.42Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 2.94Å
158E96.6Very high96.8Very high77 Ų7732.5 Ų32.536%0.3616%0.157SC..Hα-helixtrans-79.1-30.9-178-72.3-166.7-156.600113.8R121 K154 I155 P160R121-E158 IonicContact CZ-OE1 3.72Å; R121-E158 IonicContact CZ-OE2 3.69Å; R121-E158 IonicContact NE-OE2 2.76Å; R121-E158 PolarHBondContact NE-OE2 3.45Å; R121-E158 VanDerWaalsContact NE-OE2 3.15Å; R121-E158 VanDerWaalsContact NH2-CD 3.35Å; R121-E158 IonicContact NH2-OE1 2.9Å; R121-E158 PolarHBondContact NH2-OE1 3.19Å; R121-E158 IonicContact NH2-OE2 3.92Å; R121-E158 PolarHBondContact NH2-OE2 3.45Å; R121-E158 VanDerWaalsContact NH2-OE2 3.11Å; K154-E158 PolarHBondContact O-N 3.2Å; K154-E158 VanDerWaalsContact O-N 3.08Å; I155-E158 PolarHBondContact O-N 2.81Å; E158-P160 VanDerWaalsContact C-CD 3.46Å
159Y96.7Very high96.8Very high44 Ų4432.5 Ų32.517%0.17316%0.157CC..  trans-130.757.7-173.5-57.5-83.3000112.5A124 L130 F133 I155 D161 R162A124-Y159 HydrophobicContact CB-CE1 4.21Å; L130-Y159 HydrophobicContact CD2-CD1 4.47Å; F133-Y159 AromaticContact CE2-CD2 3.97Å; F133-Y159 HydrophobicContact CE2-CD2 3.97Å; F133-Y159 AromaticContact CE2-CG 3.89Å; F133-Y159 HydrophobicContact CE2-CG 3.89Å; F133-Y159 HydrophobicContact CZ-CD1 4.36Å; F133-Y159 AromaticContact CZ-CD2 3.62Å; F133-Y159 HydrophobicContact CZ-CD2 3.62Å; F133-Y159 AromaticContact CZ-CE2 3.98Å; F133-Y159 HydrophobicContact CZ-CE2 3.98Å; F133-Y159 AromaticContact CZ-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CG 3.83Å; I155-Y159 HydrophobicContact CG2-CD2 4.1Å; I155-Y159 WeakPolarHBondContact O-CA 3.45Å; I155-Y159 WeakPolarHBondContact O-CB 3.48Å; I155-Y159 PolarHBondContact O-N 3.21Å; Y159-D161 PolarHBondContact O-N 2.9Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; Y159-R162 HydrophobicContact CD1-CG 4.47Å; Y159-R162 PolarHBondContact O-N 3.03Å
160P95.4Very high96.8Very high76 Ų7632.4 Ų32.449%0.49416%0.156SC..THydrogen-bonded Turntrans-59.4-33.9-173.123.4-34.6000113.3R156 E158 R162R156-P160 PolarHBondContact NH1-O 3.24Å; R156-P160 VanDerWaalsContact NH1-O 3.14Å; R156-P160 VanDerWaalsContact O-CA 3.29Å; R156-P160 WeakPolarHBondContact O-CA 3.32Å; E158-P160 VanDerWaalsContact C-CD 3.46Å; P160-R162 VanDerWaalsContact C-N 3.27Å; P160-R162 PolarHBondContact O-N 2.8Å
161D94.3Very high96.6Very high114 Ų11432 Ų3261%0.6116%0.155SC*.THydrogen-bonded Turntrans-79.6-0.8-179.4-62.8-37.4000114.2Y159 R251Y159-D161 PolarHBondContact O-N 2.9Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; D161-R251 PolarHBondContact O-NH2 3.16Å
162R95.6Very high96.2Very high89 Ų8932 Ų3234%0.33616%0.155SC..SBendtrans-102.1145.2-176.5-63.1-59.4-178.7-78.8-4110.9L130 F133 R156 Y159 P160L130-R162 HydrophobicContact CD2-CG 4.22Å; L130-R162 WeakPolarHBondContact O-CD 3.24Å; L130-R162 PolarHBondContact O-NE 3.3Å; F133-R162 HydrophobicContact CD2-CB 4.36Å; F133-R162 HydrophobicContact CE2-CB 4Å; R156-R162 PolarHBondContact NH1-O 3.29Å; Y159-R162 HydrophobicContact CD1-CG 4.47Å; Y159-R162 PolarHBondContact O-N 3.03Å; P160-R162 VanDerWaalsContact C-N 3.27Å; P160-R162 PolarHBondContact O-N 2.8Å
163M95.6Very high95.4Very high12 Ų1235.6 Ų35.66%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-73.6137.4-178.2-60.9-74.781.100110.8Q131 G132 F133 D197 L250 R251Q131-M163 PolarHBondContact O-N 2.85Å; G132-M163 CarbonylContact C-O 3.55Å; G132-M163 WeakPolarHBondContact CA-O 3.41Å; F133-M163 PolarHBondContact N-O 3.48Å; M163-D197 VanDerWaalsContact CA-OD2 3.26Å; M163-D197 WeakPolarHBondContact CA-OD2 3.44Å; M163-D197 HydrophobicContact CE-CB 4.39Å; M163-D197 HydrophobicContact SD-CB 4.46Å; M163-L250 HydrophobicContact CB-CB 3.96Å; M163-L250 HydrophobicContact CB-CD1 4.29Å; M163-L250 HydrophobicContact CG-CB 4.08Å; M163-R251 HydrophobicContact CG-CB 3.98Å; M163-R251 HydrophobicContact SD-CB 3.77Å; M163-R251 HydrophobicContact SD-CG 3.95Å
164M97.5Very high94.6Very high2 Ų242 Ų421%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-114.299.8175.5-177.662.169.400109.3F133 V135 I152 I155 R156 T166 A196 D197 E198F133-M164 HydrophobicContact CB-CE 3.95Å; F133-M164 HydrophobicContact CB-SD 3.9Å; F133-M164 HydrophobicContact CD2-CE 4.16Å; F133-M164 HydrophobicContact CG-CE 4.27Å; V135-M164 HydrophobicContact CG2-SD 3.57Å; V135-M164 VanDerWaalsContact CG2-SD 3.57Å; I152-M164 HydrophobicContact CG1-SD 4.2Å; I152-M164 HydrophobicContact CG2-CE 4.3Å; I152-M164 HydrophobicContact CG2-CG 3.96Å; I152-M164 HydrophobicContact CG2-SD 4.28Å; I155-M164 HydrophobicContact CB-CE 3.74Å; I155-M164 HydrophobicContact CD1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.37Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; M164-T166 HydrophobicContact CG-CG2 4.18Å; M164-A196 HydrophobicContact CG-CB 4.4Å; M164-D197 PolarHBondContact N-OD2 3.34Å; M164-D197 PolarHBondContact O-N 2.83Å; M164-E198 PolarHBondContact O-N 3.18Å; M164-E198 VanDerWaalsContact O-N 3.09Å
165L97Very high93.8Very high2 Ų240.5 Ų40.51%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-96.1125.7173.317062.4000109.5F133 Q134 V135 F167 E198 M200 L250F133-L165 PolarHBondContact O-N 3.2Å; Q134-L165 CarbonylContact C-O 3.53Å; Q134-L165 VanDerWaalsContact CA-O 3.23Å; Q134-L165 WeakPolarHBondContact CA-O 3.26Å; Q134-L165 HydrophobicContact CG-CD2 4.3Å; Q134-L165 HydrophobicContact CG-CG 4.44Å; V135-L165 PolarHBondContact N-O 3.38Å; L165-F167 HydrophobicContact CD1-CE2 4.44Å; L165-F167 HydrophobicContact CD2-CE2 3.75Å; L165-F167 HydrophobicContact CD2-CZ 4.22Å; L165-F167 HydrophobicContact CG-CD2 4.48Å; L165-F167 HydrophobicContact CG-CE2 3.99Å; L165-E198 CarbonylContact C-O 3.54Å; L165-E198 WeakPolarHBondContact CA-O 3.22Å; L165-E198 HydrophobicContact CB-CB 4.46Å; L165-E198 HydrophobicContact CD1-CB 3.63Å; L165-M200 HydrophobicContact CD1-CE 3.65Å; L165-M200 HydrophobicContact CD1-CG 3.64Å; L165-L250 HydrophobicContact CB-CD2 4.33Å; L165-L250 HydrophobicContact CD2-CD2 3.64Å
166T97.8Very high93.1Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-114.9138.2177.368.70000111V135 I152 M164 S168 L192 A196 E198 C199 M200V135-T166 HydrophobicContact CB-CG2 4.3Å; V135-T166 CarbonylContact O-C 3.17Å; V135-T166 WeakPolarHBondContact O-CA 3.43Å; I152-T166 HydrophobicContact CD1-CG2 3.86Å; M164-T166 HydrophobicContact CG-CG2 4.18Å; T166-S168 WeakPolarHBondContact CB-OG 3.3Å; T166-S168 PolarHBondContact OG1-OG 2.81Å; T166-S168 VanDerWaalsContact OG1-OG 3.1Å; T166-L192 HydrophobicContact CG2-CD2 3.88Å; T166-A196 HydrophobicContact CG2-CB 3.98Å; T166-E198 PolarHBondContact N-O 2.94Å; T166-E198 PolarHBondContact OG1-O 3.07Å; T166-C199 WeakPolarHBondContact OG1-CA 3.33Å; T166-C199 PolarHBondContact OG1-SG 2.91Å; T166-C199 VanDerWaalsContact OG1-SG 3.37Å; T166-M200 WeakPolarHBondContact O-CB 3.31Å; T166-M200 PolarHBondContact O-N 2.95Å
167F98.1Very high92.4Very high0 Ų047.3 Ų47.30%024%0.241CC..EExtended strand (participates in β ladder)trans-106.998.8165.4-73.2-85.9000106.9Q134 V135 H137 L165 M200 L202 M233 V236Q134-F167 HydrophobicContact CG-CD2 3.8Å; Q134-F167 HydrophobicContact CG-CE2 3.73Å; V135-F167 PolarHBondContact O-N 2.95Å; H137-F167 PolarHBondContact N-O 3.25Å; H137-F167 VanDerWaalsContact N-O 3.15Å; L165-F167 HydrophobicContact CD1-CE2 4.44Å; L165-F167 HydrophobicContact CD2-CE2 3.75Å; L165-F167 HydrophobicContact CD2-CZ 4.22Å; L165-F167 HydrophobicContact CG-CD2 4.48Å; L165-F167 HydrophobicContact CG-CE2 3.99Å; F167-M200 HydrophobicContact CD1-CB 3.56Å; F167-M200 HydrophobicContact CD1-CG 4Å; F167-M200 HydrophobicContact CE1-CB 3.72Å; F167-M200 HydrophobicContact CE1-CG 3.67Å; F167-M200 HydrophobicContact CG-CB 4.26Å; F167-M200 HydrophobicContact CZ-CG 4.05Å; F167-L202 HydrophobicContact CB-CD1 3.97Å; F167-L202 HydrophobicContact CD1-CD1 4.23Å; F167-M233 HydrophobicContact CD1-CG 3.51Å; F167-M233 HydrophobicContact CD1-SD 4.47Å; F167-M233 HydrophobicContact CD2-CE 3.99Å; F167-M233 HydrophobicContact CD2-CG 4.24Å; F167-M233 HydrophobicContact CE1-CB 4.16Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CE 4.39Å; F167-M233 HydrophobicContact CE2-CG 4.27Å; F167-M233 HydrophobicContact CG-CE 4.16Å; F167-M233 HydrophobicContact CG-CG 3.87Å; F167-M233 HydrophobicContact CG-SD 4.34Å; F167-M233 HydrophobicContact CZ-CB 4.2Å; F167-M233 HydrophobicContact CZ-CG 3.91Å; F167-V236 HydrophobicContact CE1-CG2 4.4Å; F167-V236 HydrophobicContact CZ-CB 4.16Å; F167-V236 HydrophobicContact CZ-CG1 4.06Å
168S97.8Very high92Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-107.9112.6-164.1-61.40000109.7H137 T166 F170 C199 M200 L202H137-S168 PolarHBondContact NE2-OG 2.98Å; T166-S168 WeakPolarHBondContact CB-OG 3.3Å; T166-S168 PolarHBondContact OG1-OG 2.81Å; T166-S168 VanDerWaalsContact OG1-OG 3.1Å; S168-F170 WeakPolarHBondContact O-CD2 3.5Å; S168-F170 PolarHBondContact O-N 3.11Å; S168-C199 PolarHBondContact OG-SG 3.32Å; S168-C199 VanDerWaalsContact OG-SG 3.41Å; S168-M200 PolarHBondContact N-O 2.58Å; S168-L202 PolarHBondContact O-N 3.48Å
169V96.9Very high91.6Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-83.5113.4178.5-176.70000110.2I16 H137 L139 L202 N204 I229I16-V169 HydrophobicContact CD1-CG2 3.51Å; H137-V169 PolarHBondContact O-N 3.06Å; L139-V169 PolarHBondContact N-O 3.45Å; V169-L202 CarbonylContact C-O 3.59Å; V169-L202 WeakPolarHBondContact CA-O 3.3Å; V169-L202 HydrophobicContact CG2-CB 4.18Å; V169-L202 HydrophobicContact CG2-CD1 4.18Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å; V169-I229 HydrophobicContact CG2-CD1 4.27Å
170F95.9Very high91.5Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-83.1137.7176.6-78.6-104.8000110.8L139 S168 V189 V201 L202 N204 M377 F378L139-F170 HydrophobicContact CD1-CD1 3.91Å; L139-F170 HydrophobicContact CD1-CD2 3.87Å; L139-F170 HydrophobicContact CD1-CE1 3.57Å; L139-F170 HydrophobicContact CD1-CE2 3.52Å; L139-F170 HydrophobicContact CD1-CG 4.07Å; L139-F170 HydrophobicContact CD1-CZ 3.37Å; S168-F170 WeakPolarHBondContact O-CD2 3.5Å; S168-F170 PolarHBondContact O-N 3.11Å; F170-V189 HydrophobicContact CE1-CG2 3.66Å; F170-V189 HydrophobicContact CZ-CG2 3.96Å; F170-V201 HydrophobicContact CD2-CB 4.42Å; F170-V201 HydrophobicContact CD2-CG1 3.65Å; F170-V201 HydrophobicContact CD2-CG2 4.48Å; F170-V201 HydrophobicContact CE2-CB 4.18Å; F170-V201 HydrophobicContact CE2-CG1 3.77Å; F170-V201 HydrophobicContact CE2-CG2 3.76Å; F170-V201 HydrophobicContact CG-CG1 4.37Å; F170-V201 HydrophobicContact CZ-CG2 4.32Å; F170-L202 PolarHBondContact N-O 3.44Å; F170-N204 PolarHBondContact O-N 2.66Å; F170-M377 HydrophobicContact CD1-CE 4.37Å; F170-M377 HydrophobicContact CD1-CG 4.45Å; F170-M377 HydrophobicContact CD1-SD 3.25Å; F170-M377 WeakPolarHBondContact CD1-SD 3.42Å; F170-M377 HydrophobicContact CE1-CE 3.9Å; F170-M377 HydrophobicContact CE1-SD 3.26Å; F170-M377 WeakPolarHBondContact CE1-SD 3.38Å; F170-M377 HydrophobicContact CG-SD 3.91Å; F170-M377 HydrophobicContact CZ-CE 4.02Å; F170-M377 HydrophobicContact CZ-SD 3.95Å; F170-F378 HydrophobicContact CE1-CE1 4.2Å; F170-F378 HydrophobicContact CZ-CE1 4.23Å
171P93.6Very high91.5Very high9 Ų938.8 Ų38.86%0.05821%0.205CC..  trans-71160.9179.427.9-32.4000112.4E181 A185P171-E181 HydrophobicContact CB-CB 3.67Å; P171-E181 HydrophobicContact CB-CG 3.91Å; P171-E181 VanDerWaalsContact CB-OE2 3.24Å; P171-E181 WeakPolarHBondContact CB-OE2 3.4Å; P171-E181 HydrophobicContact CG-CB 3.95Å; P171-A185 HydrophobicContact CG-CB 3.79Å
172S88.1Confident91.5Very high0 Ų034 Ų340%018%0.179CC..  trans-145127.4169.9178.10000110.1K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.13Å; S172-K174 PolarHBondContact OG-N 3.43Å; S172-V175 PolarHBondContact O-N 2.8Å; S172-S176 PolarHBondContact O-N 3.47Å; S172-E205 WeakPolarHBondContact OG-CB 3.5Å; S172-E205 PolarHBondContact OG-OE2 2.95Å
173P81.2Confident91.6Very high75 Ų7529.7 Ų29.749%0.48716%0.163SC..THydrogen-bonded Turntrans-67.4-7.8177.530.4-37.6000113.2
174K81Confident91.6Very high155 Ų15529.1 Ų29.167%0.67416%0.16SC*.THydrogen-bonded Turntrans-81.8-19.7172.7-66.1179.9-179.4168.40112.8S172 E205S172-K174 PolarHBondContact O-N 3.13Å; S172-K174 PolarHBondContact OG-N 3.43Å; K174-E205 HydrophobicContact CD-CG 4.19Å; K174-E205 WeakPolarHBondContact CE-OE1 3.27Å; K174-E205 IonicContact NZ-OE1 3.61Å; K174-E205 PolarHBondContact NZ-OE1 3.28Å
175V81.1Confident91.6Very high34 Ų3429 Ų2921%0.20616%0.16CC..THydrogen-bonded Turntrans-114.8-30-172.3-175.80000111.5S172 N204 Y208 F222S172-V175 PolarHBondContact O-N 2.8Å; V175-N204 HydrophobicContact CB-CB 4.36Å; V175-N204 HydrophobicContact CG1-CB 4.4Å; V175-N204 HydrophobicContact CG2-CB 4.38Å; V175-Y208 HydrophobicContact CG2-CD2 4.24Å; V175-Y208 HydrophobicContact CG2-CG 4.08Å; V175-F222 HydrophobicContact CG1-CE1 4.04Å; V175-F222 HydrophobicContact CG1-CZ 4.1Å
176S82.3Confident91.6Very high24 Ų2429 Ų2917%0.16816%0.159CC..  trans-120.7143.8-178.9-177.30000111.6S172 T178 E181S172-S176 PolarHBondContact O-N 3.47Å; S176-T178 PolarHBondContact OG-N 2.97Å; S176-T178 PolarHBondContact OG-OG1 2.9Å; S176-E181 WeakPolarHBondContact CB-OE1 3.05Å; S176-E181 WeakPolarHBondContact CB-OE2 3.3Å; S176-E181 VanDerWaalsContact OG-CD 3.32Å; S176-E181 PolarHBondContact OG-OE1 2.82Å
177D81.5Confident91.5Very high163 Ų16329.2 Ų29.287%0.87216%0.161SC*.  trans-91.11.2175.7-65.4-42.8000112.6V179D177-V179 PolarHBondContact O-N 2.86Å
178T87.7Confident91.5Very high38 Ų3829.2 Ų29.223%0.23316%0.161CC..  trans-74.2114-176.6-59.50000110.5N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.7Å; N99-T178 PolarHBondContact ND2-OG1 2.91Å; S176-T178 PolarHBondContact OG-N 2.97Å; S176-T178 PolarHBondContact OG-OG1 2.9Å; T178-V180 HydrophobicContact CG2-CG2 4.14Å; T178-V180 PolarHBondContact O-N 3.17Å; T178-E181 HydrophobicContact CG2-CG 3.8Å; T178-E181 WeakPolarHBondContact O-CG 3.33Å
179V88.9Confident91.5Very high78 Ų7829.2 Ų29.247%0.47316%0.161SC..THydrogen-bonded Turntrans-72.4-24.2-171.2-60.50000114.7D177 M388 F394D177-V179 PolarHBondContact O-N 2.86Å; V179-M388 WeakPolarHBondContact O-CE 3.47Å; V179-F394 HydrophobicContact CB-CE2 4.2Å; V179-F394 HydrophobicContact CG2-CD2 4.16Å; V179-F394 HydrophobicContact CG2-CE1 4.24Å; V179-F394 HydrophobicContact CG2-CE2 3.66Å; V179-F394 HydrophobicContact CG2-CZ 3.71Å
180V93.9Very high91.5Very high4 Ų430.8 Ų30.82%0.02417%0.168CC..THydrogen-bonded Turntrans-96.14.9-174.4-58.50000114.2N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.26Å; T178-V180 HydrophobicContact CG2-CG2 4.14Å; T178-V180 PolarHBondContact O-N 3.17Å; V180-P182 VanDerWaalsContact C-N 3.32Å; V180-Y183 PolarHBondContact O-N 3.37Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; V180-N184 PolarHBondContact O-N 3.3Å; V180-F394 HydrophobicContact CG1-CB 3.86Å; V180-F394 HydrophobicContact CG1-CD2 4.19Å; V180-F394 HydrophobicContact CG1-CG 3.99Å; V180-W397 HydrophobicContact CG1-CE3 4.16Å; V180-W397 HydrophobicContact CG1-CZ3 4.24Å; V180-Y398 HydrophobicContact CB-CE2 4.3Å; V180-Y398 VanDerWaalsContact CB-OH 3.31Å; V180-Y398 WeakPolarHBondContact CB-OH 3.48Å; V180-Y398 HydrophobicContact CG1-CE2 4.38Å; V180-Y398 PolarHBondContact O-OH 2.87Å
181E94.9Very high91.5Very high16 Ų1632.1 Ų32.18%0.07517%0.174CC..Hα-helixtrans-52.8-39.1178.3-74.1-179.116200114.6P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.67Å; P171-E181 HydrophobicContact CB-CG 3.91Å; P171-E181 VanDerWaalsContact CB-OE2 3.24Å; P171-E181 WeakPolarHBondContact CB-OE2 3.4Å; P171-E181 HydrophobicContact CG-CB 3.95Å; S176-E181 WeakPolarHBondContact CB-OE1 3.05Å; S176-E181 WeakPolarHBondContact CB-OE2 3.3Å; S176-E181 VanDerWaalsContact OG-CD 3.32Å; S176-E181 PolarHBondContact OG-OE1 2.82Å; T178-E181 HydrophobicContact CG2-CG 3.8Å; T178-E181 WeakPolarHBondContact O-CG 3.33Å; E181-Y183 VanDerWaalsContact C-N 3.32Å; E181-Y183 PolarHBondContact O-N 2.75Å; E181-N184 PolarHBondContact O-N 3Å; E181-A185 WeakPolarHBondContact O-CB 3.35Å; E181-A185 PolarHBondContact O-N 3.2Å
182P95.2Very high91.7Very high12 Ų1231.7 Ų31.78%0.07817%0.172CC..Hα-helixtrans-61.2-38.3178.2-25.736.6000113.2V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.32Å; P182-T186 WeakPolarHBondContact O-CB 3.41Å; P182-T186 PolarHBondContact O-N 3.2Å; P182-T186 PolarHBondContact O-OG1 3.01Å; P182-T186 VanDerWaalsContact O-OG1 3.06Å; P182-Q384 HydrophobicContact CB-CB 3.91Å; P182-Q384 HydrophobicContact CG-CB 3.75Å; P182-F385 HydrophobicContact CB-CB 4.35Å; P182-M388 HydrophobicContact CB-SD 4.23Å; P182-M388 HydrophobicContact CG-SD 3.87Å
183Y96.8Very high92.1Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-65-48.2174.8-69.8-34.5000111.6V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408V180-Y183 PolarHBondContact O-N 3.37Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; E181-Y183 VanDerWaalsContact C-N 3.32Å; E181-Y183 PolarHBondContact O-N 2.75Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.56Å; Y183-T186 PolarHBondContact O-N 3.41Å; Y183-L187 WeakPolarHBondContact O-CB 3.4Å; Y183-L187 WeakPolarHBondContact O-CD1 3.11Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.29Å; Y183-L187 PolarHBondContact O-N 3.04Å; 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 3.47Å; Y183-F385 HydrophobicContact CD1-CE2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.47Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.3Å; Y183-F385 HydrophobicContact CE1-CD2 4.03Å; Y183-F385 AromaticContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CZ 4.42Å; Y183-M388 HydrophobicContact CD2-CE 4.12Å; Y183-M388 HydrophobicContact CE1-CB 4.11Å; Y183-M388 HydrophobicContact CE2-CB 4.45Å; Y183-M388 HydrophobicContact CE2-CE 3.79Å; Y183-M388 PolarHBondContact OH-O 3.04Å; Y183-F389 HydrophobicContact CE1-CB 4.14Å; Y183-F389 HydrophobicContact CE1-CD2 4.17Å; Y183-F389 WeakPolarHBondContact OH-CA 3.43Å; Y183-F389 PolarHBondContact OH-N 3.04Å; Y183-A393 WeakPolarHBondContact CE2-O 3.34Å; Y183-A393 PolarHBondContact OH-O 3.24Å; Y183-L395 HydrophobicContact CE1-CD2 4.16Å; Y183-L395 HydrophobicContact CE2-CD2 3.95Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.22Å; Y183-Y398 HydrophobicContact CD2-CD2 4.38Å; Y183-Y398 AromaticContact CD2-CE2 3.72Å; Y183-Y398 HydrophobicContact CD2-CE2 3.72Å; Y183-Y398 HydrophobicContact CG-CE2 4.45Å; Y183-F408 HydrophobicContact CD1-CD1 4.01Å; Y183-F408 AromaticContact CD1-CE1 3.77Å; Y183-F408 HydrophobicContact CD1-CE1 3.77Å; Y183-F408 HydrophobicContact CD2-CE1 4.31Å; Y183-F408 HydrophobicContact CE1-CD1 4.35Å; Y183-F408 HydrophobicContact CE1-CE1 4.27Å; Y183-F408 HydrophobicContact CG-CD1 4.49Å; Y183-F408 AromaticContact CG-CE1 3.81Å; Y183-F408 HydrophobicContact CG-CE1 3.81Å
184N96.7Very high92.8Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-59.7-42.6179.3-62.4-16.8000111.4N99 W101 L139 G140 G141 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 3.39Å; W101-N184 HydrophobicContact CB-CB 4.13Å; W101-N184 WeakPolarHBondContact CB-OD1 3.16Å; W101-N184 PolarHBondContact N-OD1 2.83Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 WeakPolarHBondContact O-CB 3.49Å; G140-N184 PolarHBondContact O-ND2 3.48Å; G141-N184 PolarHBondContact O-ND2 3.28Å; V180-N184 PolarHBondContact O-N 3.3Å; E181-N184 PolarHBondContact O-N 3Å; N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.46Å; N184-S188 PolarHBondContact O-N 2.94Å; N184-S188 PolarHBondContact O-OG 2.93Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.42Å; N184-Y398 PolarHBondContact OD1-OH 3.01Å
185A96.5Very high93.6Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-65.8-48.5-18000000112L139 P171 E181 Y183 L187 S188 V189 V381L139-A185 HydrophobicContact CB-CB 4.39Å; L139-A185 PolarHBondContact O-N 2.96Å; P171-A185 HydrophobicContact CG-CB 3.79Å; E181-A185 WeakPolarHBondContact O-CB 3.35Å; E181-A185 PolarHBondContact O-N 3.2Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.56Å; A185-L187 PolarHBondContact O-N 3.32Å; A185-S188 PolarHBondContact O-N 3.23Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.87Å; A185-V381 HydrophobicContact CB-CG1 3.74Å
186T96.9Very high94.3Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-58.8-48178-62.90000111.8P182 Y183 S188 V189 H190 F385 A411 M415P182-T186 WeakPolarHBondContact O-CB 3.41Å; P182-T186 PolarHBondContact O-N 3.2Å; P182-T186 PolarHBondContact O-OG1 3.01Å; P182-T186 VanDerWaalsContact O-OG1 3.06Å; Y183-T186 PolarHBondContact O-N 3.41Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.74Å; T186-V189 PolarHBondContact O-N 2.91Å; T186-H190 PolarHBondContact O-N 3.26Å; T186-F385 HydrophobicContact CG2-CD2 3.78Å; T186-F385 HydrophobicContact CG2-CE2 3.73Å; T186-F385 HydrophobicContact CG2-CG 4.37Å; T186-F385 HydrophobicContact CG2-CZ 4.33Å; T186-F385 WeakPolarHBondContact OG1-CD2 2.99Å; T186-A411 HydrophobicContact CG2-CB 3.91Å; T186-M415 HydrophobicContact CG2-CE 3.75Å; T186-M415 WeakPolarHBondContact OG1-CE 3.45Å
187L97.6Very high95Very high5 Ų527 Ų273%0.02615%0.145CC..Hα-helixtrans-64.3-36.1178.9-65.4167.5000112.1W101 Y183 A185 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.38Å; W101-L187 HydrophobicContact CD2-CB 3.81Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.62Å; W101-L187 HydrophobicContact CE3-CG 4.43Å; W101-L187 HydrophobicContact CG-CB 4.13Å; W101-L187 HydrophobicContact CG-CD1 4.19Å; W101-L187 HydrophobicContact CZ2-CB 4.16Å; W101-L187 HydrophobicContact CZ3-CD1 4.21Å; Y183-L187 WeakPolarHBondContact O-CB 3.4Å; Y183-L187 WeakPolarHBondContact O-CD1 3.11Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.29Å; Y183-L187 PolarHBondContact O-N 3.04Å; A185-L187 PolarHBondContact O-N 3.32Å; L187-Q191 WeakPolarHBondContact O-CG 3.4Å; L187-Q191 PolarHBondContact O-N 2.91Å; L187-Y398 HydrophobicContact CD1-CD1 4.21Å; L187-Y398 HydrophobicContact CD1-CE1 4.14Å; L187-M403 HydrophobicContact CD1-CE 3.62Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.14Å; L187-F408 HydrophobicContact CD1-CE1 4.03Å; L187-F408 HydrophobicContact CD1-CZ 4.38Å; L187-A411 HydrophobicContact CD2-CB 3.79Å
188S97.5Very high95.7Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-72.7-40.2177.6-550000112.7S145 N184 A185 T186 H190 Q191 L192S145-S188 VanDerWaalsContact CB-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.46Å; N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.46Å; N184-S188 PolarHBondContact O-N 2.94Å; N184-S188 PolarHBondContact O-OG 2.93Å; A185-S188 PolarHBondContact O-N 3.23Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.74Å; S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.42Å; S188-Q191 PolarHBondContact O-N 2.85Å; S188-L192 WeakPolarHBondContact O-CB 3.48Å; S188-L192 VanDerWaalsContact O-CG 3.29Å; S188-L192 WeakPolarHBondContact O-CG 3.18Å; S188-L192 PolarHBondContact O-N 2.95Å
189V97.1Very high96.2Very high1 Ų117.5 Ų17.51%0.0069%0.092CC..Hα-helixtrans-60.3-44.3175.7169.20000109.8L139 F170 A185 T186 Q191 L192 V193 F265 F378 L418L139-V189 HydrophobicContact CD1-CG2 4.19Å; F170-V189 HydrophobicContact CE1-CG2 3.66Å; F170-V189 HydrophobicContact CZ-CG2 3.96Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.87Å; T186-V189 PolarHBondContact O-N 2.91Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 3.26Å; V189-V193 HydrophobicContact CG1-CG2 4.17Å; V189-V193 VanDerWaalsContact O-CG2 3.29Å; V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 3.08Å; V189-F265 HydrophobicContact CG1-CZ 4.39Å; V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 3.8Å; V189-F378 HydrophobicContact CG2-CD1 4.42Å; V189-F378 HydrophobicContact CG2-CE1 4.05Å; V189-L418 HydrophobicContact CG1-CD2 4.49Å
190H97Very high96.6Very high32 Ų3213.8 Ų13.815%0.1487%0.07CC..Hα-helixtrans-52.9-47.1175.1173.281.5000111.9T186 S188 E194 A411 N414T186-H190 PolarHBondContact O-N 3.26Å; S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.42Å; H190-E194 IonicContact CE1-OE1 2.91Å; H190-A411 HydrophobicContact CB-CB 3.7Å; H190-N414 PolarHBondContact ND1-ND2 2.99Å; H190-N414 VanDerWaalsContact ND1-ND2 3.14Å
191Q97.1Very high96.8Very high29 Ų2913.6 Ų13.614%0.1367%0.069CC..Hα-helixtrans-68.6-35.2176.2-66.7-66.4-46.800113.7W101 T149 L187 S188 V189 E194 N195W101-Q191 HydrophobicContact CZ2-CG 4.2Å; T149-Q191 HydrophobicContact CG2-CB 4.02Å; L187-Q191 WeakPolarHBondContact O-CG 3.4Å; L187-Q191 PolarHBondContact O-N 2.91Å; S188-Q191 PolarHBondContact O-N 2.85Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 3.43Å; Q191-E194 PolarHBondContact O-N 3.01Å; Q191-N195 WeakPolarHBondContact O-CB 3.45Å; Q191-N195 PolarHBondContact O-N 2.84Å; Q191-N195 VanDerWaalsContact O-N 3.09Å; Q191-N195 PolarHBondContact O-ND2 3.44Å
192L97.5Very high96.9Very high0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-68.9-39.4179.5-74.2172000112.2L139 T149 I152 T166 S188 V189 E194 N195 A196 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.01Å; L139-L192 HydrophobicContact CD2-CD1 3.83Å; T149-L192 HydrophobicContact CG2-CG 4.5Å; I152-L192 HydrophobicContact CD1-CD2 3.89Å; T166-L192 HydrophobicContact CG2-CD2 3.88Å; S188-L192 WeakPolarHBondContact O-CB 3.48Å; S188-L192 VanDerWaalsContact O-CG 3.29Å; S188-L192 WeakPolarHBondContact O-CG 3.18Å; S188-L192 PolarHBondContact O-N 2.95Å; V189-L192 PolarHBondContact O-N 3.26Å; L192-E194 PolarHBondContact O-N 2.94Å; L192-N195 PolarHBondContact O-N 3.21Å; L192-A196 HydrophobicContact CD2-CB 4.01Å; L192-A196 VanDerWaalsContact O-CB 3.32Å; L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 3.42Å; L192-H264 PolarHBondContact O-NE2 3.27Å; L192-F265 HydrophobicContact CB-CE1 4.34Å; L192-F265 HydrophobicContact CB-CZ 4.21Å
193V96.9Very high96.9Very high14 Ų1412.3 Ų12.39%0.0856%0.061CC..Hα-helixtrans-56.6-34.8177.3170.50000111.6V189 H264 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.17Å; V189-V193 VanDerWaalsContact O-CG2 3.29Å; V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 3.08Å; V193-H264 PolarHBondContact O-CE1 3.21Å; V193-F265 HydrophobicContact CG2-CE2 3.8Å; V193-F265 HydrophobicContact CG2-CZ 3.81Å; V193-L418 HydrophobicContact CG2-CD2 3.85Å
194E95.2Very high96.8Very high116 Ų11613 Ų1354%0.5427%0.065SC..Hα-helixtrans-90.8-33.7-177.2-65.6178.717900113.1H190 Q191 L192H190-E194 IonicContact CE1-OE1 2.91Å; Q191-E194 PolarHBondContact O-N 3.01Å; L192-E194 PolarHBondContact O-N 2.94Å
195N97Very high96.6Very high17 Ų1714.3 Ų14.39%0.0917%0.071CC..Hα-helixtrans-113.8-16.3-164.7-60.6-80.3000114.7I152 R156 Q191 L192I152-N195 HydrophobicContact CG2-CB 3.66Å; R156-N195 HydrophobicContact CB-CB 4.34Å; R156-N195 PolarHBondContact NE-O 3.18Å; R156-N195 PolarHBondContact NH2-O 3.1Å; Q191-N195 WeakPolarHBondContact O-CB 3.45Å; Q191-N195 PolarHBondContact O-N 2.84Å; Q191-N195 VanDerWaalsContact O-N 3.09Å; Q191-N195 PolarHBondContact O-ND2 3.44Å; L192-N195 PolarHBondContact O-N 3.21Å
196A96.8Very high96.5Very high6 Ų614.8 Ų14.85%0.058%0.075CC..  trans-95.7144177.100000111.5M164 T166 L192 H264M164-A196 HydrophobicContact CG-CB 4.4Å; T166-A196 HydrophobicContact CG2-CB 3.98Å; L192-A196 HydrophobicContact CD2-CB 4.01Å; L192-A196 VanDerWaalsContact O-CB 3.32Å; L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 3.42Å; A196-H264 PolarHBondContact O-CE1 3.38Å; A196-H264 VanDerWaalsContact O-CE1 3.23Å; A196-H264 PolarHBondContact O-ND1 3.12Å
197D96.6Very high96.5Very high37 Ų3714.8 Ų14.820%0.1988%0.075CC..SBendtrans-92.3-32.5172.2-59.4-67000111.4R156 M163 M164 I258 H264R156-D197 IonicContact CZ-OD1 3.81Å; R156-D197 IonicContact CZ-OD2 3.95Å; R156-D197 IonicContact NH1-OD1 3.85Å; R156-D197 IonicContact NH1-OD2 2.75Å; R156-D197 PolarHBondContact NH1-OD2 3.11Å; R156-D197 IonicContact NH2-OD1 3.66Å; R156-D197 PolarHBondContact NH2-OD1 2.76Å; R156-D197 IonicContact NH2-OD2 2.66Å; R156-D197 PolarHBondContact NH2-OD2 3.27Å; M163-D197 VanDerWaalsContact CA-OD2 3.26Å; M163-D197 WeakPolarHBondContact CA-OD2 3.44Å; M163-D197 HydrophobicContact CE-CB 4.39Å; M163-D197 HydrophobicContact SD-CB 4.46Å; M164-D197 PolarHBondContact N-OD2 3.34Å; M164-D197 PolarHBondContact O-N 2.83Å; D197-I258 WeakPolarHBondContact O-CD1 3.23Å; D197-H264 VanDerWaalsContact O-CB 3.26Å; D197-H264 WeakPolarHBondContact O-CB 3.5Å
198E96.5Very high96.3Very high1 Ų118.3 Ų18.31%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-140.2123-178.6-66-179.3-159.700109M164 L165 T166 L253 A254 I258 F266M164-E198 PolarHBondContact O-N 3.18Å; M164-E198 VanDerWaalsContact O-N 3.09Å; L165-E198 CarbonylContact C-O 3.54Å; L165-E198 WeakPolarHBondContact CA-O 3.22Å; L165-E198 HydrophobicContact CB-CB 4.46Å; L165-E198 HydrophobicContact CD1-CB 3.63Å; T166-E198 PolarHBondContact N-O 2.94Å; T166-E198 PolarHBondContact OG1-O 3.07Å; E198-L253 WeakPolarHBondContact OE2-CD2 3.23Å; E198-A254 HydrophobicContact CG-CB 4.03Å; E198-A254 WeakPolarHBondContact OE1-CA 3.42Å; E198-A254 VanDerWaalsContact OE1-CB 3.26Å; E198-A254 WeakPolarHBondContact OE1-CB 3.43Å; E198-A254 PolarHBondContact OE1-N 3.19Å; E198-I258 HydrophobicContact CG-CD1 4.21Å; E198-F266 HydrophobicContact CB-CE2 3.85Å; E198-F266 HydrophobicContact CG-CE2 3.96Å
199C97.4Very high96.2Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-119104.2178.5-173.60000111T166 S168 V201 H264 F265 F266T166-C199 WeakPolarHBondContact OG1-CA 3.33Å; T166-C199 PolarHBondContact OG1-SG 2.91Å; T166-C199 VanDerWaalsContact OG1-SG 3.37Å; S168-C199 PolarHBondContact OG-SG 3.32Å; S168-C199 VanDerWaalsContact OG-SG 3.41Å; C199-V201 PolarHBondContact O-N 3.37Å; C199-H264 PolarHBondContact N-O 2.95Å; C199-F265 HydrophobicContact CB-CD1 3.56Å; C199-F265 HydrophobicContact CB-CE1 3.84Å; C199-F265 HydrophobicContact CB-CG 4.17Å; C199-F265 WeakPolarHBondContact O-CA 3.41Å; C199-F265 WeakPolarHBondContact SG-CD1 3.48Å; C199-F265 VanDerWaalsContact SG-CE1 3.58Å; C199-F266 PolarHBondContact O-N 3.39Å
200M97.5Very high96.1Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-79.8108.7174.2-57-68.2167.100108.7L165 T166 F167 S168 V236 L253 F266 V268 I368L165-M200 HydrophobicContact CD1-CE 3.65Å; L165-M200 HydrophobicContact CD1-CG 3.64Å; T166-M200 WeakPolarHBondContact O-CB 3.31Å; T166-M200 PolarHBondContact O-N 2.95Å; F167-M200 HydrophobicContact CD1-CB 3.56Å; F167-M200 HydrophobicContact CD1-CG 4Å; F167-M200 HydrophobicContact CE1-CB 3.72Å; F167-M200 HydrophobicContact CE1-CG 3.67Å; F167-M200 HydrophobicContact CG-CB 4.26Å; F167-M200 HydrophobicContact CZ-CG 4.05Å; S168-M200 PolarHBondContact N-O 2.58Å; M200-V236 HydrophobicContact CE-CG1 3.93Å; M200-V236 HydrophobicContact SD-CG1 4.48Å; M200-L253 HydrophobicContact CE-CD2 4.24Å; M200-F266 HydrophobicContact CE-CD2 3.7Å; M200-F266 HydrophobicContact CE-CE2 4.16Å; M200-F266 HydrophobicContact SD-CB 4.01Å; M200-F266 HydrophobicContact SD-CD2 3.82Å; M200-F266 HydrophobicContact SD-CG 4.34Å; M200-V268 HydrophobicContact CB-CG1 4.09Å; M200-V268 HydrophobicContact CG-CG1 4.33Å; M200-V268 HydrophobicContact SD-CG1 3.5Å; M200-V268 VanDerWaalsContact SD-CG1 3.5Å; M200-I368 HydrophobicContact CE-CD1 4.1Å; M200-I368 HydrophobicContact CE-CG2 4.21Å; M200-I368 HydrophobicContact SD-CD1 4.44Å; M200-I368 HydrophobicContact SD-CG2 4.01Å
201V97.3Very high95.9Very high0 Ų019.1 Ų19.10%09%0.094CC..EExtended strand (participates in β ladder)trans-82.1123.2-175.1173.50000110.9F170 C199 F265 F266 C301 I374 M377F170-V201 HydrophobicContact CD2-CB 4.42Å; F170-V201 HydrophobicContact CD2-CG1 3.65Å; F170-V201 HydrophobicContact CD2-CG2 4.48Å; F170-V201 HydrophobicContact CE2-CB 4.18Å; F170-V201 HydrophobicContact CE2-CG1 3.77Å; F170-V201 HydrophobicContact CE2-CG2 3.76Å; F170-V201 HydrophobicContact CG-CG1 4.37Å; F170-V201 HydrophobicContact CZ-CG2 4.32Å; C199-V201 PolarHBondContact O-N 3.37Å; V201-F265 HydrophobicContact CG2-CB 4.08Å; V201-F265 HydrophobicContact CG2-CD1 3.98Å; V201-F266 WeakPolarHBondContact CB-O 3.2Å; V201-F266 PolarHBondContact N-O 2.87Å; V201-C301 HydrophobicContact CG1-CB 4.2Å; V201-I374 HydrophobicContact CB-CD1 4.3Å; V201-I374 HydrophobicContact CG2-CD1 3.84Å; V201-M377 HydrophobicContact CG1-CE 4.17Å
202L96.9Very high95.8Very high0 Ų022.4 Ų22.40%011%0.108CC..EExtended strand (participates in β ladder)trans-121.194.8179.5-59.8168.6000109.5F167 S168 V169 F170 L207 I229 V268 M300F167-L202 HydrophobicContact CB-CD1 3.97Å; F167-L202 HydrophobicContact CD1-CD1 4.23Å; S168-L202 PolarHBondContact O-N 3.48Å; V169-L202 CarbonylContact C-O 3.59Å; V169-L202 WeakPolarHBondContact CA-O 3.3Å; V169-L202 HydrophobicContact CG2-CB 4.18Å; V169-L202 HydrophobicContact CG2-CD1 4.18Å; F170-L202 PolarHBondContact N-O 3.44Å; L202-L207 HydrophobicContact CB-CD1 4.4Å; L202-I229 HydrophobicContact CD1-CB 4.47Å; L202-I229 HydrophobicContact CD1-CD1 4.35Å; L202-I229 HydrophobicContact CD1-CG1 4.24Å; L202-I229 HydrophobicContact CD1-CG2 3.46Å; L202-I229 VanDerWaalsContact CD1-CG2 3.46Å; L202-I229 HydrophobicContact CD2-CG1 4.27Å; L202-I229 HydrophobicContact CD2-CG2 4.29Å; L202-I229 HydrophobicContact CG-CG2 4.48Å; L202-V268 HydrophobicContact CD2-CG2 3.68Å; L202-M300 HydrophobicContact CD2-CB 4.4Å; L202-M300 HydrophobicContact CD2-SD 4.1Å
203D95.6Very high95.5Very high0 Ų030.4 Ų30.40%014%0.138CC..EExtended strand (participates in β ladder)trans-87.5119.4-177.4-174.3-7.4000111.7E205 A206 L207 M300 A302 R380D203-E205 PolarHBondContact O-N 2.91Å; D203-E205 VanDerWaalsContact O-N 3.17Å; D203-E205 WeakPolarHBondContact OD1-CB 3.3Å; D203-E205 PolarHBondContact OD1-N 3.25Å; D203-A206 HydrophobicContact CB-CB 4.17Å; D203-A206 PolarHBondContact O-N 2.75Å; D203-A206 VanDerWaalsContact O-N 3.13Å; D203-L207 WeakPolarHBondContact O-CB 3.36Å; D203-L207 VanDerWaalsContact O-CG 3.24Å; D203-L207 WeakPolarHBondContact O-CG 3.23Å; D203-L207 PolarHBondContact O-N 2.74Å; D203-M300 WeakPolarHBondContact CB-O 3.2Å; D203-M300 PolarHBondContact N-O 2.79Å; D203-A302 WeakPolarHBondContact OD2-CB 3.5Å; D203-A302 PolarHBondContact OD2-N 2.71Å; D203-A302 VanDerWaalsContact OD2-N 3.17Å; D203-R380 IonicContact OD1-CZ 2.81Å; D203-R380 IonicContact OD1-NH1 3.11Å; D203-R380 IonicContact OD1-NH2 2.95Å; D203-R380 PolarHBondContact OD1-NH2 2.81Å; D203-R380 IonicContact OD2-CZ 2.98Å; D203-R380 VanDerWaalsContact OD2-CZ 3.28Å; D203-R380 IonicContact OD2-NH1 3.51Å; D203-R380 PolarHBondContact OD2-NH1 3.04Å; D203-R380 IonicContact OD2-NH2 3.53Å; D203-R380 PolarHBondContact OD2-NH2 2.8Å
204N94.3Very high95.3Very high14 Ų1431.5 Ų31.58%0.07515%0.145CC..Hα-helixtrans-55.8-31.8175.9-82.4-28.5000113.1V169 F170 V175 Y208V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å; F170-N204 PolarHBondContact O-N 2.66Å; V175-N204 HydrophobicContact CB-CB 4.36Å; V175-N204 HydrophobicContact CG1-CB 4.4Å; V175-N204 HydrophobicContact CG2-CB 4.38Å; N204-Y208 WeakPolarHBondContact O-CB 3.38Å; N204-Y208 PolarHBondContact O-N 3.17Å
205E93.6Very high95.1Very high29 Ų2927.7 Ų27.714%0.13613%0.128CC..Hα-helixtrans-63.6-50.6176.2-169.3163.7162.200111.5S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.5Å; S172-E205 PolarHBondContact OG-OE2 2.95Å; K174-E205 HydrophobicContact CD-CG 4.19Å; K174-E205 WeakPolarHBondContact CE-OE1 3.27Å; K174-E205 IonicContact NZ-OE1 3.61Å; K174-E205 PolarHBondContact NZ-OE1 3.28Å; D203-E205 PolarHBondContact O-N 2.91Å; D203-E205 VanDerWaalsContact O-N 3.17Å; D203-E205 WeakPolarHBondContact OD1-CB 3.3Å; D203-E205 PolarHBondContact OD1-N 3.25Å; E205-Y208 PolarHBondContact O-N 3.2Å; E205-D209 PolarHBondContact O-N 2.85Å; E205-A302 HydrophobicContact CB-CB 4.28Å; E205-A302 HydrophobicContact CG-CB 4.43Å; E205-R380 IonicContact OE2-CZ 3.26Å; E205-R380 IonicContact OE2-NH1 3.29Å; E205-R380 PolarHBondContact OE2-NH1 3.28Å
206A94.9Very high94.9Very high10 Ų1033.9 Ų33.98%0.08315%0.154CC..Hα-helixtrans-67.7-42.2-179.400000111.5D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.17Å; D203-A206 PolarHBondContact O-N 2.75Å; D203-A206 VanDerWaalsContact O-N 3.13Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 2.91Å; A206-D209 PolarHBondContact O-N 2.87Å; A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.3Å; A206-I210 PolarHBondContact O-N 2.72Å; A206-A302 HydrophobicContact CB-CB 4.3Å
207L95.7Very high94.7Very high0 Ų035.2 Ų35.20%016%0.16CC..Hα-helixtrans-60-44.9176-69.4167.5000111.6L202 D203 I210 C211 L225 L228 I229 M300L202-L207 HydrophobicContact CB-CD1 4.4Å; D203-L207 WeakPolarHBondContact O-CB 3.36Å; D203-L207 VanDerWaalsContact O-CG 3.24Å; D203-L207 WeakPolarHBondContact O-CG 3.23Å; D203-L207 PolarHBondContact O-N 2.74Å; L207-I210 PolarHBondContact O-N 2.84Å; L207-C211 PolarHBondContact O-N 3.35Å; L207-C211 PolarHBondContact O-SG 3.05Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.96Å; L207-L228 HydrophobicContact CD2-CD2 3.71Å; L207-L228 HydrophobicContact CD2-CG 4.07Å; L207-I229 HydrophobicContact CD1-CD1 3.69Å; L207-I229 HydrophobicContact CD1-CG1 3.79Å; L207-I229 HydrophobicContact CD2-CG1 4Å; L207-M300 HydrophobicContact CD2-CB 4.03Å; L207-M300 HydrophobicContact CD2-CG 3.85Å; L207-M300 HydrophobicContact CD2-SD 3.68Å; L207-M300 HydrophobicContact CG-CB 4.47Å
208Y94.5Very high94.4Very high79 Ų7939.2 Ų39.231%0.3119%0.186SC..Hα-helixtrans-62-45.9176-174.3-85.8000111.5V175 N204 E205 A206 I210 C211 F212 P220V175-Y208 HydrophobicContact CG2-CD2 4.24Å; V175-Y208 HydrophobicContact CG2-CG 4.08Å; N204-Y208 WeakPolarHBondContact O-CB 3.38Å; N204-Y208 PolarHBondContact O-N 3.17Å; E205-Y208 PolarHBondContact O-N 3.2Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 2.91Å; Y208-I210 PolarHBondContact O-N 2.84Å; Y208-C211 PolarHBondContact O-N 2.82Å; Y208-F212 HydrophobicContact CD1-CB 4.41Å; Y208-F212 HydrophobicContact CE1-CB 4.19Å; Y208-F212 HydrophobicContact CE1-CG 4.47Å; Y208-F212 VanDerWaalsContact O-CB 3.3Å; Y208-F212 WeakPolarHBondContact O-CB 3.44Å; Y208-F212 PolarHBondContact O-N 3.01Å; Y208-P220 HydrophobicContact CD2-CB 3.93Å; Y208-P220 HydrophobicContact CD2-CG 4.19Å; Y208-P220 HydrophobicContact CE2-CB 3.86Å; Y208-P220 HydrophobicContact CE2-CG 3.89Å
209D94.3Very high94.1Very high48 Ų4844.4 Ų44.426%0.25722%0.218SC..Hα-helixtrans-63.1-38.5178.2-97.1-29.9000112.4E205 A206 F212 R213E205-D209 PolarHBondContact O-N 2.85Å; A206-D209 PolarHBondContact O-N 2.87Å; D209-F212 PolarHBondContact O-N 3.27Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.03Å; D209-R213 WeakPolarHBondContact O-CG 3.34Å; D209-R213 PolarHBondContact O-N 2.97Å; D209-R213 IonicContact OD1-CZ 3.6Å; D209-R213 IonicContact OD1-NE 3.54Å; D209-R213 PolarHBondContact OD1-NE 3.33Å; D209-R213 IonicContact OD1-NH2 2.85Å; D209-R213 PolarHBondContact OD1-NH2 3.16Å; D209-R213 VanDerWaalsContact OD1-NH2 3.11Å; D209-R213 IonicContact OD2-NH2 3.39Å
210I94.8Very high93.8Very high1 Ų145.3 Ų45.31%0.00522%0.224CC..Iπ-helixtrans-61.3-50173.3-71.1164.5000110.4A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.3Å; A206-I210 PolarHBondContact O-N 2.72Å; L207-I210 PolarHBondContact O-N 2.84Å; Y208-I210 PolarHBondContact O-N 2.84Å; I210-F212 PolarHBondContact O-N 3.18Å; I210-T214 WeakPolarHBondContact O-CA 3.44Å; I210-T214 VanDerWaalsContact O-CB 3.27Å; I210-T214 WeakPolarHBondContact O-CB 3.13Å; I210-T214 PolarHBondContact O-N 3.26Å; I210-L215 HydrophobicContact CG2-CG 4.45Å; I210-L215 PolarHBondContact O-N 3Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4.12Å; I210-L228 HydrophobicContact CG2-CD2 3.59Å; I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 4.15Å; I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.49Å; I210-M300 HydrophobicContact CD1-CG 4.19Å
211C94.1Very high93.6Very high0 Ų048.2 Ų48.20%024%0.244CC..Iπ-helixtrans-61.1-44.4179.3-74.10000111.8L207 Y208 L215 K216 L217 P220 L225L207-C211 PolarHBondContact O-N 3.35Å; L207-C211 PolarHBondContact O-SG 3.05Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; Y208-C211 PolarHBondContact O-N 2.82Å; C211-L215 WeakPolarHBondContact O-CB 3.28Å; C211-K216 PolarHBondContact O-N 2.93Å; C211-L217 HydrophobicContact CB-CD1 4.11Å; C211-L217 WeakPolarHBondContact O-CB 3.48Å; C211-L217 WeakPolarHBondContact O-CG 3.32Å; C211-L217 PolarHBondContact O-N 3.24Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.81Å; C211-L225 HydrophobicContact CB-CD1 4.47Å
212F93.7Very high93.3Very high98 Ų9853.1 Ų53.143%0.4327%0.266SS..Iπ-helixtrans-72.5-52.8-177.7-176.6-112000112.5Y208 D209 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.41Å; Y208-F212 HydrophobicContact CE1-CB 4.19Å; Y208-F212 HydrophobicContact CE1-CG 4.47Å; Y208-F212 VanDerWaalsContact O-CB 3.3Å; Y208-F212 WeakPolarHBondContact O-CB 3.44Å; Y208-F212 PolarHBondContact O-N 3.01Å; D209-F212 PolarHBondContact O-N 3.27Å; I210-F212 PolarHBondContact O-N 3.18Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.24Å; F212-K216 PolarHBondContact O-N 2.96Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.45Å; F212-P220 HydrophobicContact CB-CG 3.9Å; F212-P220 HydrophobicContact CD2-CG 4.49Å
213R92.5Very high93.2Very high168 Ų16855.3 Ų55.363%0.63429%0.288SS*.Iπ-helixtrans-87.1-48.5-171.2-56.5-176.5-168-1567.8112.6D209D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.03Å; D209-R213 WeakPolarHBondContact O-CG 3.34Å; D209-R213 PolarHBondContact O-N 2.97Å; D209-R213 IonicContact OD1-CZ 3.6Å; D209-R213 IonicContact OD1-NE 3.54Å; D209-R213 PolarHBondContact OD1-NE 3.33Å; D209-R213 IonicContact OD1-NH2 2.85Å; D209-R213 PolarHBondContact OD1-NH2 3.16Å; D209-R213 VanDerWaalsContact OD1-NH2 3.11Å; D209-R213 IonicContact OD2-NH2 3.39Å
214T91.6Very high93.1Very high37 Ų3757.1 Ų57.123%0.22730%0.298CS..Iπ-helixtrans-83.3-47.9-172.3-54.50000111.1I210 K216 L273I210-T214 WeakPolarHBondContact O-CA 3.44Å; I210-T214 VanDerWaalsContact O-CB 3.27Å; I210-T214 WeakPolarHBondContact O-CB 3.13Å; I210-T214 PolarHBondContact O-N 3.26Å; T214-K216 VanDerWaalsContact C-N 3.3Å; T214-L273 HydrophobicContact CG2-CB 3.69Å
215L92.3Very high93.1Very high37 Ų3756.6 Ų56.619%0.19430%0.295CS..SBendtrans-82.3-9.4177.8-56.6-178.3000113.2I210 C211 L217 L273 S275I210-L215 HydrophobicContact CG2-CG 4.45Å; I210-L215 PolarHBondContact O-N 3Å; C211-L215 WeakPolarHBondContact O-CB 3.28Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.45Å; L215-L217 HydrophobicContact CB-CG 4.06Å; L215-L217 PolarHBondContact O-N 3.29Å; L215-L273 HydrophobicContact CD2-CB 4.25Å; L215-L273 HydrophobicContact CD2-CD2 4.38Å; L215-S275 VanDerWaalsContact O-CB 3.25Å; L215-S275 WeakPolarHBondContact O-CB 3.25Å
216K92.2Very high93.2Very high147 Ų14755.8 Ų55.864%0.63929%0.292SS*.  trans58.936.6178.4-57.1-178.4179.5178.80113C211 F212 T214C211-K216 PolarHBondContact O-N 2.93Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.24Å; F212-K216 PolarHBondContact O-N 2.96Å; T214-K216 VanDerWaalsContact C-N 3.3Å
217L91.8Very high93.2Very high33 Ų3360.4 Ų60.417%0.17331%0.312CS..  trans-80.8127173.5-55.7-178.1000109.2C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.11Å; C211-L217 WeakPolarHBondContact O-CB 3.48Å; C211-L217 WeakPolarHBondContact O-CG 3.32Å; C211-L217 PolarHBondContact O-N 3.24Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.45Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.45Å; L215-L217 HydrophobicContact CB-CG 4.06Å; L215-L217 PolarHBondContact O-N 3.29Å; L217-P220 HydrophobicContact CB-CG 4.27Å; L217-D224 HydrophobicContact CD1-CB 3.83Å
218T90.3Very high93.1Very high121 Ų12160.8 Ų60.874%0.74231%0.314SS*.SBendtrans-71.2-32.4-176.947.80000113.4
219T90.1Very high93.2Very high111 Ų11157 Ų5768%0.68130%0.299SS*.SBendtrans-140.481178.652.50000108.3S221T219-S221 PolarHBondContact O-N 3.43Å
220P92.3Very high93.3Very high18 Ų1854.8 Ų54.812%0.11729%0.287CS..  trans-54.5130.7175.4-24.434000111Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 3.93Å; Y208-P220 HydrophobicContact CD2-CG 4.19Å; Y208-P220 HydrophobicContact CE2-CB 3.86Å; Y208-P220 HydrophobicContact CE2-CG 3.89Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.81Å; F212-P220 HydrophobicContact CB-CG 3.9Å; F212-P220 HydrophobicContact CD2-CG 4.49Å; L217-P220 HydrophobicContact CB-CG 4.27Å; P220-L225 HydrophobicContact CB-CD1 4.04Å
221S92.8Very high93.2Very high61 Ų6155.7 Ų55.743%0.42729%0.294SS..  trans-104.9160174.1700000110.6T219 G223 D224 L225T219-S221 PolarHBondContact O-N 3.43Å; S221-G223 PolarHBondContact O-N 2.56Å; S221-G223 VanDerWaalsContact O-N 3.09Å; S221-G223 PolarHBondContact OG-N 3.44Å; S221-D224 WeakPolarHBondContact CB-OD2 3.24Å; S221-D224 PolarHBondContact N-OD2 3.39Å; S221-D224 WeakPolarHBondContact O-CA 3.44Å; S221-D224 WeakPolarHBondContact O-CB 3.06Å; S221-D224 PolarHBondContact O-N 2.93Å; S221-D224 PolarHBondContact OG-N 2.86Å; S221-D224 PolarHBondContact OG-OD2 3.45Å; S221-L225 WeakPolarHBondContact O-CD1 3.44Å; S221-L225 PolarHBondContact O-N 2.81Å
222F91.9Very high93.3Very high103 Ų10355.7 Ų55.745%0.45229%0.294SS..Hα-helixtrans-55-28.7172-72.5-67.8000112.9V175 D224 L225 N226V175-F222 HydrophobicContact CG1-CE1 4.04Å; V175-F222 HydrophobicContact CG1-CZ 4.1Å; F222-D224 VanDerWaalsContact C-N 3.33Å; F222-D224 PolarHBondContact O-N 3.18Å; F222-L225 HydrophobicContact CD1-CD2 4.29Å; F222-L225 PolarHBondContact O-N 3.26Å; F222-N226 VanDerWaalsContact O-CB 3.26Å; F222-N226 WeakPolarHBondContact O-CB 3.46Å; F222-N226 PolarHBondContact O-N 3.15Å; F222-N226 PolarHBondContact O-ND2 2.94Å; F222-N226 PolarHBondContact O-OD1 3.03Å
223G93.3Very high93.4Very high46 Ų4651 Ų5147%0.47427%0.274SS..Hα-helixtrans-62.8-36.4172.400000113.5S221 H227S221-G223 PolarHBondContact O-N 2.56Å; S221-G223 VanDerWaalsContact O-N 3.09Å; S221-G223 PolarHBondContact OG-N 3.44Å; G223-H227 WeakPolarHBondContact O-CB 3.34Å; G223-H227 PolarHBondContact O-N 2.79Å; G223-H227 VanDerWaalsContact O-N 3.08Å
224D94.1Very high93.4Very high39 Ų3943 Ų4321%0.20924%0.244CC..Hα-helixtrans-70.6-41.8175.8-58.4-67.6000111.2L217 S221 F222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.83Å; S221-D224 WeakPolarHBondContact CB-OD2 3.24Å; S221-D224 PolarHBondContact N-OD2 3.39Å; S221-D224 WeakPolarHBondContact O-CA 3.44Å; S221-D224 WeakPolarHBondContact O-CB 3.06Å; S221-D224 PolarHBondContact O-N 2.93Å; S221-D224 PolarHBondContact OG-N 2.86Å; S221-D224 PolarHBondContact OG-OD2 3.45Å; F222-D224 VanDerWaalsContact C-N 3.33Å; F222-D224 PolarHBondContact O-N 3.18Å; D224-H227 PolarHBondContact O-N 2.86Å; D224-L228 PolarHBondContact O-N 3.15Å
225L95Very high93.5Very high2 Ų241.2 Ų41.21%0.0123%0.233CC..Hα-helixtrans-62.8-48.3176.2-78.865.2000110.3L207 C211 P220 S221 F222 H227 L228 I229L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.96Å; C211-L225 HydrophobicContact CB-CD1 4.47Å; P220-L225 HydrophobicContact CB-CD1 4.04Å; S221-L225 WeakPolarHBondContact O-CD1 3.44Å; S221-L225 PolarHBondContact O-N 2.81Å; F222-L225 HydrophobicContact CD1-CD2 4.29Å; F222-L225 PolarHBondContact O-N 3.26Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 2.82Å; L225-L228 WeakPolarHBondContact O-CB 3.21Å; L225-L228 PolarHBondContact O-N 2.85Å; L225-I229 WeakPolarHBondContact O-CG1 3.21Å; L225-I229 PolarHBondContact O-N 2.95Å
226N94.8Very high93.5Very high12 Ų1239.6 Ų39.66%0.06422%0.224CC..Hα-helixtrans-61.6-34.5178.6-67-8.6000112.1I16 F222 I229 S230I16-N226 HydrophobicContact CG1-CB 4.22Å; I16-N226 VanDerWaalsContact CG1-OD1 3.25Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.5Å; F222-N226 VanDerWaalsContact O-CB 3.26Å; F222-N226 WeakPolarHBondContact O-CB 3.46Å; F222-N226 PolarHBondContact O-N 3.15Å; F222-N226 PolarHBondContact O-ND2 2.94Å; F222-N226 PolarHBondContact O-OD1 3.03Å; N226-I229 PolarHBondContact O-N 2.97Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 3.43Å; N226-S230 PolarHBondContact O-N 2.82Å; N226-S230 PolarHBondContact O-OG 2.77Å
227H94.3Very high93.5Very high108 Ų10832.6 Ų32.650%0.519%0.194SC..Hα-helixtrans-63-44.8173.4-177.952.4000111.7G223 D224 L225 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.34Å; G223-H227 PolarHBondContact O-N 2.79Å; G223-H227 VanDerWaalsContact O-N 3.08Å; D224-H227 PolarHBondContact O-N 2.86Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 2.82Å; H227-S230 PolarHBondContact O-N 3.37Å; H227-S230 PolarHBondContact O-OG 2.6Å; H227-A231 PolarHBondContact O-N 3.16Å; H227-A231 VanDerWaalsContact O-N 3.07Å
228L94.6Very high93.4Very high8 Ų831.1 Ų31.14%0.04219%0.186CC..Hα-helixtrans-64.4-42.8177.4179.758.9000112.3L207 I210 D224 L225 A231 T232 F270 L273 M300L207-L228 HydrophobicContact CD2-CD2 3.71Å; L207-L228 HydrophobicContact CD2-CG 4.07Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4.12Å; I210-L228 HydrophobicContact CG2-CD2 3.59Å; D224-L228 PolarHBondContact O-N 3.15Å; L225-L228 WeakPolarHBondContact O-CB 3.21Å; L225-L228 PolarHBondContact O-N 2.85Å; L228-A231 PolarHBondContact O-N 2.87Å; L228-T232 PolarHBondContact O-N 2.8Å; L228-T232 PolarHBondContact O-OG1 3.45Å; L228-F270 HydrophobicContact CD1-CB 4.37Å; L228-L273 HydrophobicContact CD1-CD2 3.57Å; L228-M300 HydrophobicContact CD1-CE 3.38Å; L228-M300 HydrophobicContact CD2-CE 3.99Å; L228-M300 HydrophobicContact CG-CE 3.41Å; L228-M300 VanDerWaalsContact CG-CE 3.41Å; L228-M300 HydrophobicContact CG-SD 4.17Å
229I96.6Very high93.1Very high0 Ų025.7 Ų25.70%015%0.153CC..Hα-helixtrans-59.8-49.2174-64.5169.6000110.2I16 V169 L202 L207 L225 N226 A231 T232 M233I16-I229 HydrophobicContact CD1-CD1 3.64Å; I16-I229 HydrophobicContact CD1-CG2 4.39Å; I16-I229 HydrophobicContact CG1-CD1 4.1Å; I16-I229 HydrophobicContact CG2-CB 4.32Å; I16-I229 HydrophobicContact CG2-CG2 3.54Å; V169-I229 HydrophobicContact CG2-CD1 4.27Å; L202-I229 HydrophobicContact CD1-CB 4.47Å; L202-I229 HydrophobicContact CD1-CD1 4.35Å; L202-I229 HydrophobicContact CD1-CG1 4.24Å; L202-I229 HydrophobicContact CD1-CG2 3.46Å; L202-I229 VanDerWaalsContact CD1-CG2 3.46Å; L202-I229 HydrophobicContact CD2-CG1 4.27Å; L202-I229 HydrophobicContact CD2-CG2 4.29Å; L202-I229 HydrophobicContact CG-CG2 4.48Å; L207-I229 HydrophobicContact CD1-CD1 3.69Å; L207-I229 HydrophobicContact CD1-CG1 3.79Å; L207-I229 HydrophobicContact CD2-CG1 4Å; L225-I229 WeakPolarHBondContact O-CG1 3.21Å; L225-I229 PolarHBondContact O-N 2.95Å; N226-I229 PolarHBondContact O-N 2.97Å; I229-A231 VanDerWaalsContact C-N 3.3Å; I229-A231 PolarHBondContact O-N 2.86Å; I229-T232 WeakPolarHBondContact O-CA 3.33Å; I229-T232 WeakPolarHBondContact O-CB 3.23Å; I229-T232 PolarHBondContact O-N 3.24Å; I229-M233 HydrophobicContact CG2-CG 4.1Å; I229-M233 HydrophobicContact CG2-SD 3.74Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.93Å
230S95.6Very high93Very high0 Ų021 Ų210%012%0.124CC..Hα-helixtrans-60.4-37.3-178.3710000113.1K19 N226 H227 T232 S234K19-S230 WeakPolarHBondContact CG-OG 3.4Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 3.43Å; N226-S230 PolarHBondContact O-N 2.82Å; N226-S230 PolarHBondContact O-OG 2.77Å; H227-S230 PolarHBondContact O-N 3.37Å; H227-S230 PolarHBondContact O-OG 2.6Å; S230-T232 VanDerWaalsContact C-N 3.31Å; S230-T232 PolarHBondContact O-N 3.08Å; S230-S234 WeakPolarHBondContact O-CB 3.25Å; S230-S234 PolarHBondContact O-N 2.76Å
231A94Very high92.9Very high20 Ų2020.1 Ų20.117%0.16512%0.118CC..Hα-helixtrans-65-38175.700000111.6H227 L228 I229 G235 F270H227-A231 PolarHBondContact O-N 3.16Å; H227-A231 VanDerWaalsContact O-N 3.07Å; L228-A231 PolarHBondContact O-N 2.87Å; I229-A231 VanDerWaalsContact C-N 3.3Å; I229-A231 PolarHBondContact O-N 2.86Å; A231-G235 PolarHBondContact O-N 3.17Å; A231-F270 HydrophobicContact CB-CD1 4.48Å; A231-F270 HydrophobicContact CB-CD2 4.04Å; A231-F270 HydrophobicContact CB-CE1 4.37Å; A231-F270 HydrophobicContact CB-CE2 3.91Å; A231-F270 HydrophobicContact CB-CG 4.33Å; A231-F270 HydrophobicContact CB-CZ 4.09Å
232T95Very high92.7Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-70.1-48.4176.8-52.60000111.4L228 I229 S230 S234 G235 V236 V268 M300 T366L228-T232 PolarHBondContact O-N 2.8Å; L228-T232 PolarHBondContact O-OG1 3.45Å; I229-T232 WeakPolarHBondContact O-CA 3.33Å; I229-T232 WeakPolarHBondContact O-CB 3.23Å; I229-T232 PolarHBondContact O-N 3.24Å; S230-T232 VanDerWaalsContact C-N 3.31Å; S230-T232 PolarHBondContact O-N 3.08Å; T232-S234 VanDerWaalsContact C-N 3.26Å; T232-S234 PolarHBondContact O-N 2.74Å; T232-G235 WeakPolarHBondContact O-CA 3.44Å; T232-G235 PolarHBondContact O-N 3.41Å; T232-V236 HydrophobicContact CG2-CG2 4.42Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.1Å; T232-V268 HydrophobicContact CG2-CB 3.83Å; T232-V268 HydrophobicContact CG2-CG2 3.81Å; T232-M300 HydrophobicContact CG2-CE 4.38Å; T232-M300 HydrophobicContact CG2-SD 4.18Å; T232-M300 WeakPolarHBondContact OG1-CE 3.46Å; T232-M300 PolarHBondContact OG1-SD 3.27Å; T232-T366 HydrophobicContact CG2-CG2 4.17Å
233M95.7Very high92Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-55.3-43.9174-68.9173.172.800111.4I16 F20 C136 F167 I229 G235 V236 T237I16-M233 HydrophobicContact CG2-SD 3.52Å; I16-M233 VanDerWaalsContact CG2-SD 3.52Å; F20-M233 HydrophobicContact CB-CE 4.19Å; F20-M233 HydrophobicContact CB-SD 4.31Å; F20-M233 HydrophobicContact CD1-CE 4.13Å; F20-M233 HydrophobicContact CD2-CB 3.56Å; F20-M233 HydrophobicContact CD2-CE 4.05Å; F20-M233 HydrophobicContact CD2-SD 4.32Å; F20-M233 HydrophobicContact CE2-CB 3.68Å; F20-M233 HydrophobicContact CE2-CE 4.45Å; F20-M233 HydrophobicContact CG-CB 4.47Å; F20-M233 HydrophobicContact CG-CE 3.86Å; F20-M233 HydrophobicContact CG-SD 4.38Å; C136-M233 HydrophobicContact CB-CE 4.32Å; F167-M233 HydrophobicContact CD1-CG 3.51Å; F167-M233 HydrophobicContact CD1-SD 4.47Å; F167-M233 HydrophobicContact CD2-CE 3.99Å; F167-M233 HydrophobicContact CD2-CG 4.24Å; F167-M233 HydrophobicContact CE1-CB 4.16Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CE 4.39Å; F167-M233 HydrophobicContact CE2-CG 4.27Å; F167-M233 HydrophobicContact CG-CE 4.16Å; F167-M233 HydrophobicContact CG-CG 3.87Å; F167-M233 HydrophobicContact CG-SD 4.34Å; F167-M233 HydrophobicContact CZ-CB 4.2Å; F167-M233 HydrophobicContact CZ-CG 3.91Å; I229-M233 HydrophobicContact CG2-CG 4.1Å; I229-M233 HydrophobicContact CG2-SD 3.74Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.93Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 3.41Å; M233-V236 PolarHBondContact O-N 3.49Å; M233-T237 WeakPolarHBondContact O-CB 3.4Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.42Å; M233-T237 PolarHBondContact O-N 3.18Å; M233-T237 PolarHBondContact O-OG1 3.35Å
234S94.3Very high91Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-61.5-40.7176.1177.50000111.7E27 S230 T232 T237 C238 R241 R318E27-S234 PolarHBondContact OE1-OG 2.91Å; E27-S234 PolarHBondContact OE2-OG 2.99Å; E27-S234 VanDerWaalsContact OE2-OG 3.1Å; S230-S234 WeakPolarHBondContact O-CB 3.25Å; S230-S234 PolarHBondContact O-N 2.76Å; T232-S234 VanDerWaalsContact C-N 3.26Å; T232-S234 PolarHBondContact O-N 2.74Å; S234-T237 PolarHBondContact O-OG1 3.34Å; S234-C238 WeakPolarHBondContact O-CB 3.48Å; S234-C238 PolarHBondContact O-N 3.3Å; S234-C238 VanDerWaalsContact O-N 3.08Å; S234-R241 PolarHBondContact O-NH2 3.06Å; S234-R241 PolarHBondContact OG-NH2 3.29Å; S234-R318 PolarHBondContact O-NH1 2.82Å; S234-R318 PolarHBondContact OG-NH1 2.83Å
235G93Very high89.5Confident0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-64.2-50.4175.900000113.8A231 T232 M233 T237 C238 T366A231-G235 PolarHBondContact O-N 3.17Å; T232-G235 WeakPolarHBondContact O-CA 3.44Å; T232-G235 PolarHBondContact O-N 3.41Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 3.41Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.29Å; G235-C238 WeakPolarHBondContact O-CB 3.26Å; G235-C238 PolarHBondContact O-N 3.34Å; G235-T366 WeakPolarHBondContact CA-OG1 3.15Å
236V92Very high87.7Confident3 Ų322 Ų222%0.01812%0.121CC..Hα-helixtrans-57.3-41.8177.9173.50000111.2F167 M200 T232 M233 L253 T366 I368F167-V236 HydrophobicContact CE1-CG2 4.4Å; F167-V236 HydrophobicContact CZ-CB 4.16Å; F167-V236 HydrophobicContact CZ-CG1 4.06Å; M200-V236 HydrophobicContact CE-CG1 3.93Å; M200-V236 HydrophobicContact SD-CG1 4.48Å; T232-V236 HydrophobicContact CG2-CG2 4.42Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.1Å; M233-V236 PolarHBondContact O-N 3.49Å; V236-L253 HydrophobicContact CG1-CD2 4.43Å; V236-T366 HydrophobicContact CG2-CG2 3.81Å; V236-I368 HydrophobicContact CB-CD1 4.32Å; V236-I368 HydrophobicContact CG1-CD1 3.9Å; V236-I368 HydrophobicContact CG2-CD1 3.83Å; V236-I368 HydrophobicContact CG2-CG1 4.1Å
237T91.7Very high86.1Confident0 Ų021.6 Ų21.60%012%0.119CC..THydrogen-bonded Turntrans-89.3-1.1-175.262.30000113.5Y50 M233 S234 G235 C239 L240 R241Y50-T237 VanDerWaalsContact OH-CB 3.3Å; Y50-T237 WeakPolarHBondContact OH-CB 3.38Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.34Å; M233-T237 WeakPolarHBondContact O-CB 3.4Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.42Å; M233-T237 PolarHBondContact O-N 3.18Å; M233-T237 PolarHBondContact O-OG1 3.35Å; S234-T237 PolarHBondContact O-OG1 3.34Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.29Å; T237-C239 PolarHBondContact O-N 2.84Å; T237-L240 WeakPolarHBondContact O-CB 3.44Å; T237-L240 PolarHBondContact O-N 3.37Å; T237-R241 PolarHBondContact O-N 2.82Å; T237-R241 PolarHBondContact O-NE 3.16Å; T237-R241 PolarHBondContact OG1-NE 3.42Å
238C90.1Very high84.9Confident1 Ų118.8 Ų18.81%0.00711%0.112CC..Hα-helixtrans-60.6-44.3-174.9-178.60000112.7S234 G235 L240 R241 F242 R318 C354S234-C238 WeakPolarHBondContact O-CB 3.48Å; S234-C238 PolarHBondContact O-N 3.3Å; S234-C238 VanDerWaalsContact O-N 3.08Å; G235-C238 WeakPolarHBondContact O-CB 3.26Å; G235-C238 PolarHBondContact O-N 3.34Å; C238-L240 PolarHBondContact O-N 3.12Å; C238-R241 PolarHBondContact O-N 3.2Å; C238-F242 PolarHBondContact O-N 3.29Å; C238-R318 HydrophobicContact CB-CG 4.42Å; C238-R318 VanDerWaalsContact SG-CD 3.55Å; C238-R318 VanDerWaalsContact SG-CZ 3.56Å; C238-R318 PolarHBondContact SG-NE 3.18Å; C238-C354 PolarHBondContact SG-SG 3.17Å
239C83.9Confident84.4Confident7 Ų719.3 Ų19.35%0.04712%0.115CC..Hα-helixtrans-67.2-18-178.6-62.60000113.3R46 T237 N247R46-C239 PolarHBondContact NH1-O 2.93Å; T237-C239 PolarHBondContact O-N 2.84Å; C239-N247 HydrophobicContact CB-CB 4.46Å; C239-N247 VanDerWaalsContact CB-O 3.3Å; C239-N247 WeakPolarHBondContact CB-O 3.08Å
240L88Confident84Confident13 Ų1319.4 Ų19.47%0.06812%0.115CC..Hα-helixtrans-80.8-45.6175.9-49.4174.3000109.6I4 R46 V49 T237 C238 D249 L250I4-L240 HydrophobicContact CD1-CB 4.31Å; I4-L240 HydrophobicContact CD1-CD1 3.52Å; I4-L240 HydrophobicContact CD1-CG 4.44Å; R46-L240 VanDerWaalsContact CD-O 3.23Å; R46-L240 WeakPolarHBondContact CD-O 3.33Å; V49-L240 HydrophobicContact CG1-CB 4.38Å; T237-L240 WeakPolarHBondContact O-CB 3.44Å; T237-L240 PolarHBondContact O-N 3.37Å; C238-L240 PolarHBondContact O-N 3.12Å; L240-D249 VanDerWaalsContact CD2-CA 3.47Å; L240-L250 HydrophobicContact CD1-CD2 3.65Å; L240-L250 HydrophobicContact CD1-CG 4.04Å
241R90.3Very high83.8Confident0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-85-19.3-173.4-66.1-176.4-70.6123-4.5116E27 H28 R46 V49 Y50 S234 T237 C238E27-R241 IonicContact OE2-CZ 3.44Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.76Å; E27-R241 PolarHBondContact OE2-NH1 2.81Å; E27-R241 IonicContact OE2-NH2 3.86Å; E27-R241 PolarHBondContact OE2-NH2 2.9Å; H28-R241 WeakPolarHBondContact NE2-CD 3.21Å; H28-R241 PolarHBondContact NE2-NH1 2.7Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; V49-R241 HydrophobicContact CG1-CG 4.48Å; Y50-R241 HydrophobicContact CD2-CG 3.79Å; Y50-R241 HydrophobicContact CE2-CG 3.75Å; S234-R241 PolarHBondContact O-NH2 3.06Å; S234-R241 PolarHBondContact OG-NH2 3.29Å; T237-R241 PolarHBondContact O-N 2.82Å; T237-R241 PolarHBondContact O-NE 3.16Å; T237-R241 PolarHBondContact OG1-NE 3.42Å; C238-R241 PolarHBondContact O-N 3.2Å
242F88.1Confident83.6Confident0 Ų028 Ų280%015%0.146CC..SBendtrans-130.7149.5-177.2-63.5-57.4000111.3E27 H28 R46 C238 G244 I356E27-F242 HydrophobicContact CB-CE2 4.33Å; E27-F242 HydrophobicContact CB-CZ 3.98Å; H28-F242 AromaticContact CE1-CE1 3.47Å; H28-F242 VanDerWaalsContact CE1-CE1 3.47Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.41Å; H28-F242 AromaticContact CE1-CZ 3.74Å; H28-F242 AromaticContact ND1-CE1 3.8Å; H28-F242 AromaticContact NE2-CZ 3.8Å; R46-F242 PolarHBondContact NH1-O 2.88Å; C238-F242 PolarHBondContact O-N 3.29Å; F242-G244 PolarHBondContact O-N 3.43Å; F242-I356 HydrophobicContact CB-CD1 3.9Å; F242-I356 HydrophobicContact CD1-CD1 3.27Å; F242-I356 HydrophobicContact CD2-CB 4.42Å; F242-I356 HydrophobicContact CD2-CD1 4.2Å; F242-I356 HydrophobicContact CD2-CG2 4.43Å; F242-I356 HydrophobicContact CE1-CD1 3.76Å; F242-I356 HydrophobicContact CE2-CG2 4.17Å; F242-I356 HydrophobicContact CG-CD1 3.53Å; F242-I356 HydrophobicContact CZ-CD1 4.39Å; F242-I356 HydrophobicContact CZ-CG2 4.28Å
243P78.3Confident83.3Confident35 Ų3528.3 Ų28.323%0.22715%0.148CC..  trans-59.4134.9171.627.4-35.6000110.3L42 E45L42-P243 HydrophobicContact CD2-CG 3.9Å; E45-P243 WeakPolarHBondContact OE2-CG 3.38Å
244G71.5Confident83.1Confident33 Ų3328.9 Ų28.934%0.3415%0.152SC..  trans-166163.2-177.700000110.8F242F242-G244 PolarHBondContact O-N 3.43Å
245Q62.5Low82.9Confident151 Ų15134.1 Ų34.171%0.70618%0.184SC*.SBendtrans-76.3-24.2-168.4-69.7-172.4-18.500114.8
246L56.7Low82.8Confident70 Ų7036.3 Ų36.337%0.36620%0.195SC..SBendtrans-149.8157.9-176.8-131.889.4000113.4T352L246-T352 HydrophobicContact CB-CG2 3.78Å
247N61.7Low82.8Confident4 Ų436.2 Ų36.22%0.02120%0.195CC..  trans62.360.9-173.1-62.4-16.4000114.7C239 D249 N256C239-N247 HydrophobicContact CB-CB 4.46Å; C239-N247 VanDerWaalsContact CB-O 3.3Å; C239-N247 WeakPolarHBondContact CB-O 3.08Å; N247-D249 PolarHBondContact O-N 3.06Å; N247-N256 PolarHBondContact OD1-ND2 3.43Å
248S70Confident83Confident50 Ų5037.7 Ų37.735%0.3520%0.203SC..  trans-67.1-10.2178.949.20000115.3
249D83.8Confident83.1Confident19 Ų1940 Ų4010%0.10222%0.218CC..SBendtrans-157.7157.9-174.155.893.4000112.9R2 L240 N247 R251 K252 L253R2-D249 IonicContact CZ-OD2 2.82Å; R2-D249 VanDerWaalsContact NH1-CB 3.31Å; R2-D249 IonicContact NH1-OD2 3.11Å; R2-D249 PolarHBondContact NH1-OD2 3.03Å; L240-D249 VanDerWaalsContact CD2-CA 3.47Å; N247-D249 PolarHBondContact O-N 3.06Å; D249-R251 PolarHBondContact OD1-N 3.18Å; D249-K252 PolarHBondContact O-N 2.93Å; D249-K252 VanDerWaalsContact OD1-CB 3.25Å; D249-K252 WeakPolarHBondContact OD1-CB 3.48Å; D249-K252 PolarHBondContact OD1-N 2.86Å; D249-L253 PolarHBondContact O-N 3.07Å; D249-L253 VanDerWaalsContact O-N 3.15Å
250L87.6Confident83.5Confident1 Ų141.3 Ų41.31%0.00522%0.223CC..Hα-helixtrans-56-49175.4-68.5174.5000111.6I4 Q131 M163 L165 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 4.09Å; I4-L250 HydrophobicContact CD1-CG 4.36Å; I4-L250 HydrophobicContact CG1-CD1 4.23Å; Q131-L250 HydrophobicContact CG-CB 4.19Å; Q131-L250 HydrophobicContact CG-CD1 4.2Å; Q131-L250 HydrophobicContact CG-CG 4.32Å; M163-L250 HydrophobicContact CB-CB 3.96Å; M163-L250 HydrophobicContact CB-CD1 4.29Å; M163-L250 HydrophobicContact CG-CB 4.08Å; L165-L250 HydrophobicContact CB-CD2 4.33Å; L165-L250 HydrophobicContact CD2-CD2 3.64Å; L240-L250 HydrophobicContact CD1-CD2 3.65Å; L240-L250 HydrophobicContact CD1-CG 4.04Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 3.1Å; L250-L253 CarbonylContact O-C 3.4Å; L250-L253 WeakPolarHBondContact O-CA 3.5Å; L250-L253 WeakPolarHBondContact O-CB 3.5Å; L250-L253 PolarHBondContact O-N 3.4Å; L250-A254 PolarHBondContact O-N 3.42Å
251R91.3Very high83.7Confident120 Ų12045.6 Ų45.645%0.45325%0.251SS..Hα-helixtrans-57.7-40.3-178.5-172.5177.9-57.7-78.5-3113.1D161 M163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 3.16Å; M163-R251 HydrophobicContact CG-CB 3.98Å; M163-R251 HydrophobicContact SD-CB 3.77Å; M163-R251 HydrophobicContact SD-CG 3.95Å; D249-R251 PolarHBondContact OD1-N 3.18Å; R251-L253 VanDerWaalsContact C-N 3.31Å; R251-A254 WeakPolarHBondContact O-CB 3.33Å; R251-A254 PolarHBondContact O-N 3.38Å; R251-V255 HydrophobicContact CG-CG2 4.46Å; R251-V255 VanDerWaalsContact O-CG2 3.31Å; R251-V255 WeakPolarHBondContact O-CG2 3.41Å; R251-V255 PolarHBondContact O-N 3.04Å
252K89.8Confident84Confident82 Ų8249.2 Ų49.236%0.35727%0.265SS..Hα-helixtrans-67.9-32.1175.4-174.4170.3-176.9172.10111.9D249 L250 N256D249-K252 PolarHBondContact O-N 2.93Å; D249-K252 VanDerWaalsContact OD1-CB 3.25Å; D249-K252 WeakPolarHBondContact OD1-CB 3.48Å; D249-K252 PolarHBondContact OD1-N 2.86Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 3.1Å; K252-N256 WeakPolarHBondContact O-CB 3.39Å; K252-N256 PolarHBondContact O-N 3.4Å; K252-N256 PolarHBondContact O-ND2 3.1Å
253L89.4Confident84.4Confident6 Ų649.3 Ų49.33%0.03127%0.265CS..Hα-helixtrans-64-51171.7-173.963.4000110.2E198 M200 V236 D249 L250 R251 N256 L257 M316 I368E198-L253 WeakPolarHBondContact OE2-CD2 3.23Å; M200-L253 HydrophobicContact CE-CD2 4.24Å; V236-L253 HydrophobicContact CG1-CD2 4.43Å; D249-L253 PolarHBondContact O-N 3.07Å; D249-L253 VanDerWaalsContact O-N 3.15Å; L250-L253 CarbonylContact O-C 3.4Å; L250-L253 WeakPolarHBondContact O-CA 3.5Å; L250-L253 WeakPolarHBondContact O-CB 3.5Å; L250-L253 PolarHBondContact O-N 3.4Å; R251-L253 VanDerWaalsContact C-N 3.31Å; L253-N256 PolarHBondContact O-N 2.8Å; L253-L257 HydrophobicContact CD1-CD1 3.55Å; L253-L257 HydrophobicContact CD1-CG 4.32Å; L253-L257 HydrophobicContact CG-CD1 3.92Å; L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.43Å; L253-L257 VanDerWaalsContact O-N 3.16Å; L253-M316 HydrophobicContact CD1-CE 3.65Å; L253-M316 HydrophobicContact CD2-CE 4.36Å; L253-I368 HydrophobicContact CD1-CD1 4.35Å; L253-I368 HydrophobicContact CD2-CD1 4.31Å
254A91.3Very high85.2Confident11 Ų1147.8 Ų47.89%0.09126%0.255CS..Hα-helixtrans-52.7-57173.600000112.7E198 L250 R251 N256 L257 I258E198-A254 HydrophobicContact CG-CB 4.03Å; E198-A254 WeakPolarHBondContact OE1-CA 3.42Å; E198-A254 VanDerWaalsContact OE1-CB 3.26Å; E198-A254 WeakPolarHBondContact OE1-CB 3.43Å; E198-A254 PolarHBondContact OE1-N 3.19Å; L250-A254 PolarHBondContact O-N 3.42Å; R251-A254 WeakPolarHBondContact O-CB 3.33Å; R251-A254 PolarHBondContact O-N 3.38Å; A254-N256 PolarHBondContact O-N 2.96Å; A254-N256 VanDerWaalsContact O-N 3.12Å; A254-L257 PolarHBondContact O-N 3.45Å; A254-I258 HydrophobicContact CB-CD1 3.95Å; A254-I258 WeakPolarHBondContact O-CB 3.48Å; A254-I258 WeakPolarHBondContact O-CG1 3.4Å; A254-I258 PolarHBondContact O-N 2.74Å
255V91Very high86.5Confident110 Ų11046.2 Ų46.267%0.66724%0.239SC*.Hα-helixtrans-58.1-31.8-178170.10000112.5R251R251-V255 HydrophobicContact CG-CG2 4.46Å; R251-V255 VanDerWaalsContact O-CG2 3.31Å; R251-V255 WeakPolarHBondContact O-CG2 3.41Å; R251-V255 PolarHBondContact O-N 3.04Å
256N90.1Very high88.1Confident46 Ų4639 Ų3925%0.24621%0.205CC..Hα-helixtrans-80.2-21.5178.7-74.1-30.5000113.6N247 K252 L253 A254N247-N256 PolarHBondContact OD1-ND2 3.43Å; K252-N256 WeakPolarHBondContact O-CB 3.39Å; K252-N256 PolarHBondContact O-N 3.4Å; K252-N256 PolarHBondContact O-ND2 3.1Å; L253-N256 PolarHBondContact O-N 2.8Å; A254-N256 PolarHBondContact O-N 2.96Å; A254-N256 VanDerWaalsContact O-N 3.12Å
257L92.6Very high90Very high2 Ų235.7 Ų35.71%0.0119%0.188CC..Hα-helixtrans-113.1-19.3-170.7-68.7179000114L253 A254 P259 F266 T312 I368 N370L253-L257 HydrophobicContact CD1-CD1 3.55Å; L253-L257 HydrophobicContact CD1-CG 4.32Å; L253-L257 HydrophobicContact CG-CD1 3.92Å; L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.43Å; L253-L257 VanDerWaalsContact O-N 3.16Å; A254-L257 PolarHBondContact O-N 3.45Å; L257-P259 VanDerWaalsContact O-CD 3.25Å; L257-P259 WeakPolarHBondContact O-CD 3.29Å; L257-F266 HydrophobicContact CB-CE1 3.57Å; L257-F266 HydrophobicContact CB-CZ 3.69Å; L257-F266 HydrophobicContact CD1-CE1 4.27Å; L257-F266 HydrophobicContact CD1-CZ 4.24Å; L257-T312 VanDerWaalsContact C-OG1 3.3Å; L257-T312 VanDerWaalsContact CA-OG1 3.22Å; L257-T312 WeakPolarHBondContact CA-OG1 3.36Å; L257-T312 PolarHBondContact O-OG1 3.3Å; L257-I368 HydrophobicContact CD1-CB 4.26Å; L257-I368 HydrophobicContact CD1-CG2 3.67Å; L257-N370 PolarHBondContact O-ND2 3.4Å
258I94.3Very high91.6Very high31 Ų3135.5 Ų35.516%0.15919%0.187CC..  trans-113.996-172.3-55.3174.2000108.1D197 E198 A254 F260 H264 F266D197-I258 WeakPolarHBondContact O-CD1 3.23Å; E198-I258 HydrophobicContact CG-CD1 4.21Å; A254-I258 HydrophobicContact CB-CD1 3.95Å; A254-I258 WeakPolarHBondContact O-CB 3.48Å; A254-I258 WeakPolarHBondContact O-CG1 3.4Å; A254-I258 PolarHBondContact O-N 2.74Å; I258-F260 WeakPolarHBondContact CG2-O 3.17Å; I258-H264 HydrophobicContact CD1-CB 3.64Å; I258-H264 HydrophobicContact CG1-CB 4.22Å; I258-H264 HydrophobicContact CG2-CB 4.41Å; I258-F266 HydrophobicContact CD1-CE2 4.45Å; I258-F266 HydrophobicContact CD1-CZ 3.84Å; I258-F266 HydrophobicContact CG1-CE1 4.06Å; I258-F266 HydrophobicContact CG1-CZ 3.48Å; I258-F266 VanDerWaalsContact CG1-CZ 3.48Å
259P92.5Very high92.8Very high50 Ų5033.2 Ų33.233%0.32517%0.171SC..SBendtrans-69.6-36.9170.327.3-31.9000111.2L257 L311 I345L257-P259 VanDerWaalsContact O-CD 3.25Å; L257-P259 WeakPolarHBondContact O-CD 3.29Å; P259-L311 HydrophobicContact CG-CB 4.17Å; P259-L311 HydrophobicContact CG-CD1 4.14Å; P259-I345 HydrophobicContact CB-CD1 3.9Å; P259-I345 HydrophobicContact CG-CD1 3.89Å
260F93.7Very high93.4Very high34 Ų3433.1 Ų33.115%0.14917%0.17CC..SBendtrans-125129.5-177.7-58.5-70.6000110.6I258 R262 L263 W344 Y425I258-F260 WeakPolarHBondContact CG2-O 3.17Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.87Å; F260-R262 VanDerWaalsContact O-N 3.1Å; F260-L263 HydrophobicContact CB-CB 4.3Å; F260-L263 HydrophobicContact CB-CD1 4.09Å; F260-L263 HydrophobicContact CB-CD2 4.2Å; F260-L263 HydrophobicContact CB-CG 4.41Å; F260-L263 HydrophobicContact CD2-CD2 3.93Å; F260-L263 HydrophobicContact CG-CD2 4.49Å; F260-L263 PolarHBondContact O-N 2.9Å; F260-W344 AromaticContact CE2-CH2 3.69Å; F260-W344 HydrophobicContact CE2-CH2 3.69Å; F260-W344 AromaticContact CE2-CZ3 3.92Å; F260-W344 HydrophobicContact CE2-CZ3 3.92Å; F260-W344 HydrophobicContact CZ-CH2 4.37Å; F260-W344 HydrophobicContact CZ-CZ3 4.23Å; F260-Y425 HydrophobicContact CD1-CE1 4.14Å; F260-Y425 HydrophobicContact CD1-CE2 4.47Å; F260-Y425 AromaticContact CD1-CZ 3.77Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.4Å; F260-Y425 AromaticContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD2 4.08Å; F260-Y425 AromaticContact CD2-CE1 3.76Å; F260-Y425 HydrophobicContact CD2-CE1 3.76Å; F260-Y425 AromaticContact CD2-CE2 3.86Å; F260-Y425 HydrophobicContact CD2-CE2 3.86Å; F260-Y425 HydrophobicContact CD2-CG 4.13Å; F260-Y425 AromaticContact CD2-CZ 3.68Å; F260-Y425 AromaticContact CE1-CE1 3.66Å; F260-Y425 HydrophobicContact CE1-CE1 3.66Å; F260-Y425 AromaticContact CE1-CZ 3.75Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD2 4.29Å; F260-Y425 AromaticContact CE2-CE1 3.21Å; F260-Y425 HydrophobicContact CE2-CE1 3.21Å; F260-Y425 HydrophobicContact CE2-CE2 4.18Å; F260-Y425 AromaticContact CE2-CG 3.91Å; F260-Y425 HydrophobicContact CE2-CG 3.91Å; F260-Y425 AromaticContact CE2-CZ 3.65Å; F260-Y425 HydrophobicContact CG-CE1 4.19Å; F260-Y425 HydrophobicContact CG-CE2 4.02Å; F260-Y425 AromaticContact CG-CZ 3.74Å; F260-Y425 AromaticContact CZ-CD1 3.73Å; F260-Y425 HydrophobicContact CZ-CD1 3.73Å; F260-Y425 AromaticContact CZ-CE1 3.17Å; F260-Y425 HydrophobicContact CZ-CE1 3.17Å; F260-Y425 AromaticContact CZ-CZ 3.7Å
261P92.4Very high93.8Very high103 Ų10333.1 Ų33.167%0.66917%0.17SC*.THydrogen-bonded Turntrans-53.1-36.7-170.7-30.235.5000115.5L263 H264P261-L263 VanDerWaalsContact C-N 3.33Å; P261-H264 PolarHBondContact O-ND1 3.4Å
262R95Very high93.9Very high76 Ų7628.1 Ų28.129%0.28715%0.153SC..THydrogen-bonded Turntrans-74.2-22.5179.2-68.7-177.857.6140.317.9113.6F260 H264 N414 L418 E421F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.87Å; F260-R262 VanDerWaalsContact O-N 3.1Å; R262-H264 PolarHBondContact O-N 2.83Å; R262-H264 VanDerWaalsContact O-N 3.11Å; R262-N414 PolarHBondContact NH2-OD1 2.82Å; R262-L418 HydrophobicContact CB-CD1 4.31Å; R262-E421 WeakPolarHBondContact CB-OE2 3.38Å; R262-E421 VanDerWaalsContact CD-OE1 3.32Å; R262-E421 WeakPolarHBondContact CD-OE1 3.46Å; R262-E421 WeakPolarHBondContact CD-OE2 3.22Å; R262-E421 IonicContact CZ-OE1 3.43Å; R262-E421 IonicContact CZ-OE2 2.84Å; R262-E421 VanDerWaalsContact NE-CD 3.28Å; R262-E421 IonicContact NE-OE1 3.93Å; R262-E421 PolarHBondContact NE-OE1 2.67Å; R262-E421 IonicContact NE-OE2 2.96Å; R262-E421 PolarHBondContact NE-OE2 2.88Å; R262-E421 IonicContact NH1-OE1 2.71Å; R262-E421 PolarHBondContact NH1-OE1 2.85Å; R262-E421 IonicContact NH2-OE1 3.28Å
263L96.2Very high94Very high1 Ų124.8 Ų24.81%0.00514%0.139CC..  trans-91.449.5-175.4-75.158.3000110.2F260 P261 L311 N370 E421 Y422 Y425F260-L263 HydrophobicContact CB-CB 4.3Å; F260-L263 HydrophobicContact CB-CD1 4.09Å; F260-L263 HydrophobicContact CB-CD2 4.2Å; F260-L263 HydrophobicContact CB-CG 4.41Å; F260-L263 HydrophobicContact CD2-CD2 3.93Å; F260-L263 HydrophobicContact CG-CD2 4.49Å; F260-L263 PolarHBondContact O-N 2.9Å; P261-L263 VanDerWaalsContact C-N 3.33Å; L263-L311 HydrophobicContact CB-CD1 4.41Å; L263-L311 HydrophobicContact CD2-CD1 3.66Å; L263-N370 PolarHBondContact O-ND2 2.92Å; L263-N370 PolarHBondContact O-OD1 3.14Å; L263-E421 HydrophobicContact CD1-CB 4.32Å; L263-Y422 WeakPolarHBondContact CA-OH 3.45Å; L263-Y422 HydrophobicContact CB-CE1 3.91Å; L263-Y422 HydrophobicContact CD2-CD1 4.05Å; L263-Y422 HydrophobicContact CD2-CE1 4.06Å; L263-Y422 HydrophobicContact CG-CD1 3.93Å; L263-Y422 HydrophobicContact CG-CE1 3.62Å; L263-Y422 HydrophobicContact CG-CE2 4.37Å; L263-Y422 HydrophobicContact CG-CG 4.46Å; L263-Y425 HydrophobicContact CD1-CD2 4.4Å; L263-Y425 HydrophobicContact CD1-CE2 4.27Å; L263-Y425 HydrophobicContact CD2-CD2 3.41Å; L263-Y425 VanDerWaalsContact CD2-CD2 3.41Å; L263-Y425 HydrophobicContact CD2-CE2 3.94Å; L263-Y425 HydrophobicContact CD2-CG 4.14Å
264H96.6Very high93.9Very high3 Ų325.1 Ų25.11%0.01414%0.141CC..  trans-100.713.8-174.259.2-124.9000114.3L192 V193 A196 D197 C199 I258 P261 R262L192-H264 PolarHBondContact O-NE2 3.27Å; V193-H264 PolarHBondContact O-CE1 3.21Å; A196-H264 PolarHBondContact O-CE1 3.38Å; A196-H264 VanDerWaalsContact O-CE1 3.23Å; A196-H264 PolarHBondContact O-ND1 3.12Å; D197-H264 VanDerWaalsContact O-CB 3.26Å; D197-H264 WeakPolarHBondContact O-CB 3.5Å; C199-H264 PolarHBondContact N-O 2.95Å; I258-H264 HydrophobicContact CD1-CB 3.64Å; I258-H264 HydrophobicContact CG1-CB 4.22Å; I258-H264 HydrophobicContact CG2-CB 4.41Å; P261-H264 PolarHBondContact O-ND1 3.4Å; R262-H264 PolarHBondContact O-N 2.83Å; R262-H264 VanDerWaalsContact O-N 3.11Å
265F97.8Very high93.7Very high0 Ų025.2 Ų25.20%014%0.141CC..EExtended strand (participates in β ladder)trans-91.5124.4176.9-63.2-96.2000110.4V189 L192 V193 C199 V201 I374 F378 L418V189-F265 HydrophobicContact CG1-CZ 4.39Å; L192-F265 HydrophobicContact CB-CE1 4.34Å; L192-F265 HydrophobicContact CB-CZ 4.21Å; V193-F265 HydrophobicContact CG2-CE2 3.8Å; V193-F265 HydrophobicContact CG2-CZ 3.81Å; C199-F265 HydrophobicContact CB-CD1 3.56Å; C199-F265 HydrophobicContact CB-CE1 3.84Å; C199-F265 HydrophobicContact CB-CG 4.17Å; C199-F265 WeakPolarHBondContact O-CA 3.41Å; C199-F265 WeakPolarHBondContact SG-CD1 3.48Å; C199-F265 VanDerWaalsContact SG-CE1 3.58Å; V201-F265 HydrophobicContact CG2-CB 4.08Å; V201-F265 HydrophobicContact CG2-CD1 3.98Å; F265-I374 HydrophobicContact CB-CD1 3.59Å; F265-I374 WeakPolarHBondContact O-CD1 3.45Å; F265-F378 HydrophobicContact CB-CZ 4.16Å; F265-F378 HydrophobicContact CD1-CE1 4.33Å; F265-F378 AromaticContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD2-CE2 4.37Å; F265-F378 AromaticContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CE1-CE1 4.3Å; F265-F378 AromaticContact CE1-CZ 3.99Å; F265-F378 HydrophobicContact CE1-CZ 3.99Å; F265-F378 HydrophobicContact CE2-CZ 4.14Å; F265-F378 HydrophobicContact CG-CE2 4.34Å; F265-F378 AromaticContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CZ-CZ 4.21Å; F265-L418 HydrophobicContact CD2-CD2 4.32Å; F265-L418 HydrophobicContact CE2-CD2 3.9Å
266F96.9Very high93.1Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-112.5134.1-174.5-54.8-59.3000112.5E198 C199 M200 V201 L257 I258 I368 N370E198-F266 HydrophobicContact CB-CE2 3.85Å; E198-F266 HydrophobicContact CG-CE2 3.96Å; C199-F266 PolarHBondContact O-N 3.39Å; M200-F266 HydrophobicContact CE-CD2 3.7Å; M200-F266 HydrophobicContact CE-CE2 4.16Å; M200-F266 HydrophobicContact SD-CB 4.01Å; M200-F266 HydrophobicContact SD-CD2 3.82Å; M200-F266 HydrophobicContact SD-CG 4.34Å; V201-F266 WeakPolarHBondContact CB-O 3.2Å; V201-F266 PolarHBondContact N-O 2.87Å; L257-F266 HydrophobicContact CB-CE1 3.57Å; L257-F266 HydrophobicContact CB-CZ 3.69Å; L257-F266 HydrophobicContact CD1-CE1 4.27Å; L257-F266 HydrophobicContact CD1-CZ 4.24Å; I258-F266 HydrophobicContact CD1-CE2 4.45Å; I258-F266 HydrophobicContact CD1-CZ 3.84Å; I258-F266 HydrophobicContact CG1-CE1 4.06Å; I258-F266 HydrophobicContact CG1-CZ 3.48Å; I258-F266 VanDerWaalsContact CG1-CZ 3.48Å; F266-I368 HydrophobicContact CB-CG2 3.64Å; F266-I368 HydrophobicContact CD1-CG2 4.18Å; F266-I368 HydrophobicContact CD2-CG2 4.21Å; F266-I368 HydrophobicContact CG-CG2 3.75Å; F266-N370 HydrophobicContact CD1-CB 3.86Å; F266-N370 HydrophobicContact CE1-CB 3.89Å
267M95.9Very high92.6Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-78.3121.1164.3-60.7179.566.700108.8M299 C301 A303 P305 G369 S373 I374M267-M299 HydrophobicContact CE-CB 4.13Å; M267-M299 HydrophobicContact CE-CG 4.28Å; M267-C301 HydrophobicContact CB-CB 4.29Å; M267-C301 HydrophobicContact CE-CB 4.05Å; M267-C301 HydrophobicContact CG-CB 3.93Å; M267-A303 HydrophobicContact CE-CB 3.84Å; M267-A303 VanDerWaalsContact CE-O 3.27Å; M267-A303 WeakPolarHBondContact CE-O 3.15Å; M267-A303 HydrophobicContact SD-CB 4.18Å; M267-P305 HydrophobicContact CE-CG 4.11Å; M267-G369 PolarHBondContact N-O 3.06Å; M267-G369 PolarHBondContact O-N 3.1Å; M267-S373 PolarHBondContact SD-OG 3.47Å; M267-S373 VanDerWaalsContact SD-OG 3.4Å; M267-I374 HydrophobicContact CG-CB 4.48Å; M267-I374 HydrophobicContact CG-CD1 4.07Å; M267-I374 HydrophobicContact CG-CG1 4.43Å
268V96.4Very high92Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-107.9155.1178.5-61.80000112M200 L202 T232 M300 F367 I368M200-V268 HydrophobicContact CB-CG1 4.09Å; M200-V268 HydrophobicContact CG-CG1 4.33Å; M200-V268 HydrophobicContact SD-CG1 3.5Å; M200-V268 VanDerWaalsContact SD-CG1 3.5Å; L202-V268 HydrophobicContact CD2-CG2 3.68Å; T232-V268 HydrophobicContact CG2-CB 3.83Å; T232-V268 HydrophobicContact CG2-CG2 3.81Å; V268-M300 HydrophobicContact CG2-CB 4.11Å; V268-M300 HydrophobicContact CG2-CG 4.48Å; V268-M300 HydrophobicContact CG2-SD 4.34Å; V268-M300 WeakPolarHBondContact O-CB 3.33Å; V268-M300 PolarHBondContact O-N 3.39Å; V268-F367 VanDerWaalsContact CA-O 3.26Å; V268-F367 WeakPolarHBondContact CA-O 3.14Å; V268-I368 HydrophobicContact CG1-CG1 4.44Å; V268-I368 HydrophobicContact CG1-CG2 4.49Å
269G95.1Very high91.2Very high2 Ų235.7 Ų35.72%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-149.8157.417800000111.7T366 F367G269-T366 CarbonylContact O-C 3.58Å; G269-T366 WeakPolarHBondContact O-CA 3.26Å; G269-F367 PolarHBondContact N-O 3.41Å; G269-F367 PolarHBondContact O-N 2.97Å
270F95.7Very high90.5Very high18 Ų1841.5 Ų41.58%0.07922%0.217CC..EExtended strand (participates in β ladder)trans-130.1140.7176.5-179.4-92.5000109.7L228 A231 L273 M300 L361 A364L228-F270 HydrophobicContact CD1-CB 4.37Å; A231-F270 HydrophobicContact CB-CD1 4.48Å; A231-F270 HydrophobicContact CB-CD2 4.04Å; A231-F270 HydrophobicContact CB-CE1 4.37Å; A231-F270 HydrophobicContact CB-CE2 3.91Å; A231-F270 HydrophobicContact CB-CG 4.33Å; A231-F270 HydrophobicContact CB-CZ 4.09Å; F270-L273 HydrophobicContact CD1-CD2 4.2Å; F270-L273 WeakPolarHBondContact O-CD1 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.22Å; F270-M300 HydrophobicContact CB-CE 3.73Å; F270-L361 HydrophobicContact CE1-CD1 4.38Å; F270-L361 HydrophobicContact CZ-CD1 3.9Å; F270-A364 HydrophobicContact CE2-CB 4.11Å; F270-A364 HydrophobicContact CZ-CB 3.98Å
271A95.2Very high89.7Confident0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-137.8146.9169.700000109.6L289 Q292 A364 S365A271-L289 HydrophobicContact CB-CD2 4.11Å; A271-Q292 HydrophobicContact CB-CB 3.76Å; A271-A364 CarbonylContact O-C 3.48Å; A271-A364 VanDerWaalsContact O-CA 3.3Å; A271-A364 WeakPolarHBondContact O-CA 3.49Å; A271-A364 WeakPolarHBondContact O-CB 3.31Å; A271-S365 PolarHBondContact N-O 3.37Å; A271-S365 PolarHBondContact O-N 3.19Å
272P94.3Very high89Confident16 Ų1649.5 Ų49.510%0.10423%0.234CC..  cis-83.9142.9733.9-35.4000113.5L284 L289 L361P272-L284 HydrophobicContact CB-CD2 3.52Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.72Å; P272-L284 HydrophobicContact CG-CG 4.44Å; P272-L289 HydrophobicContact CB-CD2 4.01Å; P272-L289 HydrophobicContact CG-CD2 4.31Å; P272-L361 HydrophobicContact CG-CD2 4.48Å
273L91.8Very high88.4Confident11 Ų1150.4 Ų50.46%0.05825%0.252CS..  trans-104.992.9167.8-64.3170.8000108.5I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 4.15Å; T214-L273 HydrophobicContact CG2-CB 3.69Å; L215-L273 HydrophobicContact CD2-CB 4.25Å; L215-L273 HydrophobicContact CD2-CD2 4.38Å; L228-L273 HydrophobicContact CD1-CD2 3.57Å; F270-L273 HydrophobicContact CD1-CD2 4.2Å; F270-L273 WeakPolarHBondContact O-CD1 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.22Å; L273-N298 HydrophobicContact CD1-CB 3.64Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.42Å
274T87.3Confident88Confident13 Ų1352.3 Ų52.38%0.0826%0.262CS..  trans-125.8125.9-178.3-60.40000110.2Q279 R282T274-Q279 HydrophobicContact CG2-CB 4.45Å; T274-Q279 HydrophobicContact CG2-CG 3.81Å; T274-Q279 PolarHBondContact O-NE2 3.46Å; T274-R282 PolarHBondContact OG1-NH1 2.49Å
275S86.1Confident87.9Confident14 Ų1455 Ų5510%0.09828%0.278CS..  trans-56.9145.5175.464.40000111.7L215 G277 S278 Q279L215-S275 VanDerWaalsContact O-CB 3.25Å; L215-S275 WeakPolarHBondContact O-CB 3.25Å; S275-G277 PolarHBondContact O-N 2.79Å; S275-G277 VanDerWaalsContact O-N 3.08Å; S275-S278 PolarHBondContact O-N 3.09Å; S275-S278 PolarHBondContact OG-OG 3.39Å; S275-Q279 PolarHBondContact O-N 2.92Å
276R79.8Confident87.7Confident188 Ų18855.1 Ų55.171%0.70928%0.279SS*.THydrogen-bonded Turntrans-49.4-40.9-175.7-64-177.1-177.41783.6114S278R276-S278 VanDerWaalsContact C-N 3.32Å; R276-S278 PolarHBondContact O-N 2.98Å
277G78.3Confident87.5Confident58 Ų5857.2 Ų57.260%0.59829%0.293SS*.THydrogen-bonded Turntrans-70.8-21.5179.700000115.1S275 Y281S275-G277 PolarHBondContact O-N 2.79Å; S275-G277 VanDerWaalsContact O-N 3.08Å; G277-Y281 WeakPolarHBondContact O-CD2 3.26Å; G277-Y281 WeakPolarHBondContact O-CE2 3.4Å
278S81.8Confident87.4Confident50 Ų5058.5 Ų58.535%0.3530%0.299SS..THydrogen-bonded Turntrans-97.7-15.8-177.7-58.80000113.3S275 R276 Q280 Y281S275-S278 PolarHBondContact O-N 3.09Å; S275-S278 PolarHBondContact OG-OG 3.39Å; R276-S278 VanDerWaalsContact C-N 3.32Å; R276-S278 PolarHBondContact O-N 2.98Å; S278-Q280 VanDerWaalsContact C-N 3.27Å; S278-Q280 PolarHBondContact O-N 2.74Å; S278-Y281 PolarHBondContact O-N 2.78Å; S278-Y281 VanDerWaalsContact O-N 3.11Å
279Q77.3Confident87.3Confident112 Ų11258.5 Ų58.552%0.52330%0.299SS..G310 helixtrans-58.7-36.5-175-74.9-177.6-12.900113T274 S275 Y281T274-Q279 HydrophobicContact CG2-CB 4.45Å; T274-Q279 HydrophobicContact CG2-CG 3.81Å; T274-Q279 PolarHBondContact O-NE2 3.46Å; S275-Q279 PolarHBondContact O-N 2.92Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-Y281 PolarHBondContact O-N 3.2Å
280Q76.5Confident87.3Confident172 Ų17258.5 Ų58.580%0.80430%0.298SS*.G310 helixtrans-72-19.6-179.2-65.4-178.62.200113.8S278S278-Q280 VanDerWaalsContact C-N 3.27Å; S278-Q280 PolarHBondContact O-N 2.74Å
281Y78.1Confident87.2Confident198 Ų19864.5 Ų64.578%0.77633%0.327SS*.G310 helixtrans-102.1-0.7-173.2-58.5-77.2000113.2G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.26Å; G277-Y281 WeakPolarHBondContact O-CE2 3.4Å; S278-Y281 PolarHBondContact O-N 2.78Å; S278-Y281 VanDerWaalsContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-Y281 PolarHBondContact O-N 3.2Å
282R77.1Confident87.1Confident107 Ų10765.3 Ų65.340%0.40433%0.33SS..  trans-114.4131-172.3-155.1171.7-169.1-174.8-3.1111T274 E288T274-R282 PolarHBondContact OG1-NH1 2.49Å; R282-E288 WeakPolarHBondContact CD-OE1 2.97Å; R282-E288 IonicContact CZ-OE1 3.27Å; R282-E288 IonicContact CZ-OE2 2.9Å; R282-E288 IonicContact NE-OE1 2.7Å; R282-E288 PolarHBondContact NE-OE1 2.72Å; R282-E288 IonicContact NE-OE2 3.55Å; R282-E288 PolarHBondContact NE-OE2 2.89Å; R282-E288 IonicContact NH1-OE1 2.6Å; R282-E288 IonicContact NH2-OE1 3.6Å; R282-E288 PolarHBondContact NH2-OE1 3.23Å; R282-E288 VanDerWaalsContact NH2-OE1 3.17Å; R282-E288 IonicContact NH2-OE2 3.17Å; R282-E288 PolarHBondContact NH2-OE2 3.41Å
283S82.4Confident87Confident95 Ų9564.7 Ų64.766%0.66433%0.326SS*.  trans-96116.3168-173.40000108.7
284L88.8Confident87Confident42 Ų4265.6 Ų65.622%0.2233%0.329CS..  trans-69.3136.9175.9-61.3172.1000110P272 M363P272-L284 HydrophobicContact CB-CD2 3.52Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.72Å; P272-L284 HydrophobicContact CG-CG 4.44Å; L284-M363 HydrophobicContact CB-CG 3.7Å; L284-M363 HydrophobicContact CB-SD 3.77Å; L284-M363 HydrophobicContact CD1-CG 4.15Å
285T92.7Very high87.2Confident58 Ų5867.9 Ų67.936%0.35634%0.341SS..  trans-139.1158.5177.262.90000109.4E288 L289T285-E288 PolarHBondContact O-N 3.01Å; T285-E288 WeakPolarHBondContact OG1-CB 3.44Å; T285-E288 PolarHBondContact OG1-N 2.9Å; T285-L289 PolarHBondContact O-N 2.8Å
286V94Very high87.4Confident3 Ų368.8 Ų68.82%0.01835%0.347CS..Hα-helixtrans-57.3-48.2177.6179.50000111.7E288 L289 T290 F317 M321 E325 V326 Q329 M363V286-E288 VanDerWaalsContact C-N 3.27Å; V286-E288 PolarHBondContact O-N 2.96Å; V286-L289 PolarHBondContact O-N 3.24Å; V286-T290 WeakPolarHBondContact O-CB 3.47Å; V286-T290 PolarHBondContact O-N 3.33Å; V286-T290 PolarHBondContact O-OG1 3.15Å; V286-F317 HydrophobicContact CG1-CE1 4.1Å; V286-M321 HydrophobicContact CG2-CB 4Å; V286-M321 HydrophobicContact CG2-CG 4.34Å; V286-M321 HydrophobicContact CG2-SD 3.85Å; V286-E325 HydrophobicContact CB-CG 4.08Å; V286-E325 HydrophobicContact CG1-CG 4.35Å; V286-E325 HydrophobicContact CG2-CG 4.35Å; V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.76Å; V286-V326 HydrophobicContact CG2-CG2 4.27Å; V286-Q329 HydrophobicContact CG1-CB 4.35Å; V286-Q329 HydrophobicContact CG1-CG 4.08Å; V286-M363 HydrophobicContact CG2-CE 3.81Å
287P94.2Very high88Confident44 Ų4466.9 Ų66.929%0.28634%0.344SS..Hα-helixtrans-58.8-36.6177.4-23.633.7000113.4Q291 Q329P287-Q291 WeakPolarHBondContact O-CB 3.41Å; P287-Q291 PolarHBondContact O-N 2.98Å; P287-Q329 HydrophobicContact CB-CG 4.36Å; P287-Q329 HydrophobicContact CG-CG 3.99Å
288E92.8Very high88.6Confident28 Ų2864.5 Ų64.513%0.13132%0.318CS..Hα-helixtrans-69.2-43.2178.5-169.1-167.3117.800112.2R282 T285 V286 Q291 Q292R282-E288 WeakPolarHBondContact CD-OE1 2.97Å; R282-E288 IonicContact CZ-OE1 3.27Å; R282-E288 IonicContact CZ-OE2 2.9Å; R282-E288 IonicContact NE-OE1 2.7Å; R282-E288 PolarHBondContact NE-OE1 2.72Å; R282-E288 IonicContact NE-OE2 3.55Å; R282-E288 PolarHBondContact NE-OE2 2.89Å; R282-E288 IonicContact NH1-OE1 2.6Å; R282-E288 IonicContact NH2-OE1 3.6Å; R282-E288 PolarHBondContact NH2-OE1 3.23Å; R282-E288 VanDerWaalsContact NH2-OE1 3.17Å; R282-E288 IonicContact NH2-OE2 3.17Å; R282-E288 PolarHBondContact NH2-OE2 3.41Å; T285-E288 PolarHBondContact O-N 3.01Å; T285-E288 WeakPolarHBondContact OG1-CB 3.44Å; T285-E288 PolarHBondContact OG1-N 2.9Å; V286-E288 VanDerWaalsContact C-N 3.27Å; V286-E288 PolarHBondContact O-N 2.96Å; E288-Q291 PolarHBondContact O-N 3.01Å; E288-Q292 PolarHBondContact O-N 3.07Å; E288-Q292 PolarHBondContact OE1-NE2 3.01Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.09Å
289L95.1Very high89.2Confident0 Ų062.2 Ų62.20%030%0.301CS..Hα-helixtrans-61.6-48.3174.8-72.5-176.3000110.7A271 P272 T285 V286 Q291 Q292 M293 F317 M363A271-L289 HydrophobicContact CB-CD2 4.11Å; P272-L289 HydrophobicContact CB-CD2 4.01Å; P272-L289 HydrophobicContact CG-CD2 4.31Å; T285-L289 PolarHBondContact O-N 2.8Å; V286-L289 PolarHBondContact O-N 3.24Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.4Å; L289-Q292 PolarHBondContact O-N 2.79Å; L289-M293 WeakPolarHBondContact O-CB 3.44Å; L289-M293 PolarHBondContact O-N 3.43Å; L289-F317 HydrophobicContact CB-CE1 4.16Å; L289-F317 HydrophobicContact CD1-CD1 4.34Å; L289-M363 HydrophobicContact CD1-CB 4.24Å; L289-M363 HydrophobicContact CD1-CE 3.73Å; L289-M363 HydrophobicContact CD1-CG 3.92Å; L289-M363 HydrophobicContact CD1-SD 4.21Å
290T94.5Very high90Very high1 Ų156.9 Ų56.91%0.00628%0.276CS..Hα-helixtrans-57.3-45.6176.1-57.90000110.7V286 Q292 M293 W294 F317 Q329 M330 V333V286-T290 WeakPolarHBondContact O-CB 3.47Å; V286-T290 PolarHBondContact O-N 3.33Å; V286-T290 PolarHBondContact O-OG1 3.15Å; T290-Q292 PolarHBondContact O-N 3.21Å; T290-M293 WeakPolarHBondContact O-CB 3.49Å; T290-M293 PolarHBondContact O-N 2.91Å; T290-W294 PolarHBondContact O-N 3.29Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.38Å; T290-Q329 HydrophobicContact CG2-CB 4.26Å; T290-M330 HydrophobicContact CG2-SD 4.1Å; T290-V333 HydrophobicContact CG2-CG2 3.39Å
291Q93Very high90.8Very high145 Ų14548.8 Ų48.868%0.67824%0.239SC*.Hα-helixtrans-61.5-41.8177.8-174.3179.310.900112.7P287 E288 L289 D295P287-Q291 WeakPolarHBondContact O-CB 3.41Å; P287-Q291 PolarHBondContact O-N 2.98Å; E288-Q291 PolarHBondContact O-N 3.01Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.4Å; Q291-D295 PolarHBondContact O-N 3.04Å
292Q93.7Very high91.4Very high16 Ų1641 Ų418%0.07522%0.216CC..Hα-helixtrans-68.5-36.1177.7-76.1179.650.200112.3A271 E288 L289 T290 W294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.76Å; E288-Q292 PolarHBondContact O-N 3.07Å; E288-Q292 PolarHBondContact OE1-NE2 3.01Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.09Å; L289-Q292 PolarHBondContact O-N 2.79Å; T290-Q292 PolarHBondContact O-N 3.21Å; Q292-W294 VanDerWaalsContact C-N 3.27Å; Q292-W294 PolarHBondContact O-N 2.9Å; Q292-D295 PolarHBondContact O-N 3.47Å; Q292-N298 WeakPolarHBondContact O-CB 3.35Å; Q292-N298 PolarHBondContact O-ND2 2.94Å
293M93Very high91.9Very high3 Ų336.2 Ų36.22%0.01520%0.199CC..Hα-helixtrans-59-38.1179.7-170.7-170.6-67.900112.3L289 T290 M299 A315 F317 S365 F367L289-M293 WeakPolarHBondContact O-CB 3.44Å; L289-M293 PolarHBondContact O-N 3.43Å; T290-M293 WeakPolarHBondContact O-CB 3.49Å; T290-M293 PolarHBondContact O-N 2.91Å; M293-M299 WeakPolarHBondContact O-CE 3.44Å; M293-A315 HydrophobicContact CE-CB 3.82Å; M293-A315 HydrophobicContact SD-CB 3.38Å; M293-A315 WeakPolarHBondContact SD-CB 3.41Å; M293-F317 HydrophobicContact CE-CE1 4.08Å; M293-F317 HydrophobicContact CE-CE2 3.94Å; M293-F317 HydrophobicContact CE-CZ 3.65Å; M293-S365 VanDerWaalsContact CE-OG 3.23Å; M293-S365 WeakPolarHBondContact CE-OG 3.36Å; M293-F367 HydrophobicContact CG-CB 3.5Å; M293-F367 VanDerWaalsContact CG-CB 3.5Å; M293-F367 HydrophobicContact CG-CD2 3.6Å; M293-F367 HydrophobicContact CG-CG 3.86Å; M293-F367 HydrophobicContact SD-CB 4.33Å; M293-F367 HydrophobicContact SD-CD2 3.8Å
294W91.4Very high92.3Very high30 Ų3032.9 Ų32.911%0.11417%0.173CC..THydrogen-bonded Turntrans-988.1-178.6-65.296000113.6T290 Q292 Y310 A313 M330 V333 F341 V349 F367T290-W294 PolarHBondContact O-N 3.29Å; Q292-W294 VanDerWaalsContact C-N 3.27Å; Q292-W294 PolarHBondContact O-N 2.9Å; W294-Y310 AromaticContact CE3-CE2 3.98Å; W294-Y310 HydrophobicContact CE3-CE2 3.98Å; W294-Y310 AromaticContact CZ3-CD2 3.88Å; W294-Y310 HydrophobicContact CZ3-CD2 3.88Å; W294-Y310 HydrophobicContact CZ3-CE1 4.39Å; W294-Y310 AromaticContact CZ3-CE2 3.63Å; W294-Y310 HydrophobicContact CZ3-CE2 3.63Å; W294-Y310 HydrophobicContact CZ3-CG 4.34Å; W294-Y310 AromaticContact CZ3-CZ 3.9Å; W294-A313 HydrophobicContact CH2-CB 3.62Å; W294-A313 HydrophobicContact CZ2-CB 4.33Å; W294-A313 HydrophobicContact CZ3-CB 4.44Å; W294-M330 HydrophobicContact CZ2-CE 3.83Å; W294-V333 HydrophobicContact CD2-CG1 3.74Å; W294-V333 HydrophobicContact CE3-CG1 4.41Å; W294-V333 HydrophobicContact CG-CG1 3.76Å; W294-V333 HydrophobicContact CZ2-CG1 4.29Å; W294-F341 AromaticContact CH2-CE1 3.84Å; W294-F341 HydrophobicContact CH2-CE1 3.84Å; W294-F341 HydrophobicContact CH2-CE2 4.48Å; W294-F341 AromaticContact CH2-CZ 3.35Å; W294-F341 HydrophobicContact CH2-CZ 3.35Å; W294-F341 HydrophobicContact CZ2-CZ 4.24Å; W294-F341 HydrophobicContact CZ3-CE1 4.12Å; W294-F341 HydrophobicContact CZ3-CE2 4.41Å; W294-F341 AromaticContact CZ3-CZ 3.52Å; W294-F341 HydrophobicContact CZ3-CZ 3.52Å; W294-V349 HydrophobicContact CH2-CG2 4.34Å; W294-V349 HydrophobicContact CZ2-CG1 4.17Å; W294-F367 HydrophobicContact CD2-CE2 4.11Å; W294-F367 AromaticContact CE2-CE2 3.95Å; W294-F367 AromaticContact CE3-CE2 3.96Å; W294-F367 HydrophobicContact CE3-CE2 3.96Å; W294-F367 HydrophobicContact CE3-CZ 4.04Å; W294-F367 AromaticContact CH2-CE2 3.49Å; W294-F367 HydrophobicContact CH2-CE2 3.49Å; W294-F367 VanDerWaalsContact CH2-CE2 3.49Å; W294-F367 AromaticContact CH2-CZ 3.9Å; W294-F367 HydrophobicContact CH2-CZ 3.9Å; W294-F367 AromaticContact CZ2-CE2 3.68Å; W294-F367 HydrophobicContact CZ2-CE2 3.68Å; W294-F367 HydrophobicContact CZ2-CZ 4.5Å; W294-F367 AromaticContact CZ3-CE2 3.65Å; W294-F367 HydrophobicContact CZ3-CE2 3.65Å; W294-F367 AromaticContact CZ3-CZ 3.65Å; W294-F367 HydrophobicContact CZ3-CZ 3.65Å
295D91.5Very high92.3Very high62 Ų6231.2 Ų31.233%0.33217%0.165SC..  trans-81.9121.6172.6-170.9-17000109.2Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.04Å; Q292-D295 PolarHBondContact O-N 3.47Å; D295-K297 PolarHBondContact O-N 3.31Å; D295-K297 WeakPolarHBondContact OD1-CB 3.26Å; D295-K297 PolarHBondContact OD1-N 3.16Å; D295-N298 PolarHBondContact O-N 2.89Å
296S90.1Very high92.1Very high33 Ų3335.3 Ų35.323%0.23117%0.174CC..G310 helixtrans-56.2-26.3179.570.90000112.7N298 M299S296-N298 PolarHBondContact O-N 3.37Å; S296-M299 PolarHBondContact O-N 3.26Å
297K91Very high92Very high147 Ų14740.4 Ų40.464%0.63920%0.198SC*.G310 helixtrans-72.6-14.2178.4-62.6174.4-174.2169.70114.1I210 D295I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.49Å; D295-K297 PolarHBondContact O-N 3.31Å; D295-K297 WeakPolarHBondContact OD1-CB 3.26Å; D295-K297 PolarHBondContact OD1-N 3.16Å
298N91.9Very high91.9Very high9 Ų938.6 Ų38.65%0.04819%0.186CC..G310 helixtrans-103.8-2.2-179-64.6-22.2000112.3L273 Q292 D295 S296L273-N298 HydrophobicContact CD1-CB 3.64Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.42Å; Q292-N298 WeakPolarHBondContact O-CB 3.35Å; Q292-N298 PolarHBondContact O-ND2 2.94Å; D295-N298 PolarHBondContact O-N 2.89Å; S296-N298 PolarHBondContact O-N 3.37Å
299M93.5Very high92Very high2 Ų241.8 Ų41.81%0.0120%0.197CC..BIsolated β-bridgetrans-76138.8174.5-59.3-61.1178.800109.9M267 M293 S296 C301 Y310 F367M267-M299 HydrophobicContact CE-CB 4.13Å; M267-M299 HydrophobicContact CE-CG 4.28Å; M293-M299 WeakPolarHBondContact O-CE 3.44Å; S296-M299 PolarHBondContact O-N 3.26Å; M299-C301 PolarHBondContact O-N 3.37Å; M299-Y310 WeakPolarHBondContact CE-OH 3.19Å; M299-F367 HydrophobicContact CE-CD1 3.5Å; M299-F367 HydrophobicContact CE-CE1 3.47Å; M299-F367 VanDerWaalsContact CE-CE1 3.47Å; M299-F367 HydrophobicContact CE-CG 4.2Å; M299-F367 HydrophobicContact CE-CZ 4.17Å; M299-F367 HydrophobicContact SD-CD1 3.42Å; M299-F367 WeakPolarHBondContact SD-CD1 3.31Å; M299-F367 HydrophobicContact SD-CE1 3.79Å; M299-F367 HydrophobicContact SD-CG 4.34Å
300M94.7Very high91.9Very high0 Ų042 Ų420%020%0.198CC..SBendtrans-86.920.1179.2-55.6-171.3-174.900112.5L202 D203 L207 I210 L228 T232 V268 F270L202-M300 HydrophobicContact CD2-CB 4.4Å; L202-M300 HydrophobicContact CD2-SD 4.1Å; D203-M300 WeakPolarHBondContact CB-O 3.2Å; D203-M300 PolarHBondContact N-O 2.79Å; L207-M300 HydrophobicContact CD2-CB 4.03Å; L207-M300 HydrophobicContact CD2-CG 3.85Å; L207-M300 HydrophobicContact CD2-SD 3.68Å; L207-M300 HydrophobicContact CG-CB 4.47Å; I210-M300 HydrophobicContact CD1-CG 4.19Å; L228-M300 HydrophobicContact CD1-CE 3.38Å; L228-M300 HydrophobicContact CD2-CE 3.99Å; L228-M300 HydrophobicContact CG-CE 3.41Å; L228-M300 VanDerWaalsContact CG-CE 3.41Å; L228-M300 HydrophobicContact CG-SD 4.17Å; T232-M300 HydrophobicContact CG2-CE 4.38Å; T232-M300 HydrophobicContact CG2-SD 4.18Å; T232-M300 WeakPolarHBondContact OG1-CE 3.46Å; T232-M300 PolarHBondContact OG1-SD 3.27Å; V268-M300 HydrophobicContact CG2-CB 4.11Å; V268-M300 HydrophobicContact CG2-CG 4.48Å; V268-M300 HydrophobicContact CG2-SD 4.34Å; V268-M300 WeakPolarHBondContact O-CB 3.33Å; V268-M300 PolarHBondContact O-N 3.39Å; F270-M300 HydrophobicContact CB-CE 3.73Å
301C93.2Very high92Very high2 Ų242 Ų421%0.01420%0.198CC..SBendtrans-130.1129.8175.1-178.90000107.3V201 M267 M299 A303V201-C301 HydrophobicContact CG1-CB 4.2Å; M267-C301 HydrophobicContact CB-CB 4.29Å; M267-C301 HydrophobicContact CE-CB 4.05Å; M267-C301 HydrophobicContact CG-CB 3.93Å; M299-C301 PolarHBondContact O-N 3.37Å; C301-A303 PolarHBondContact O-N 2.85Å
302A90.2Very high92Very high35 Ų3535.3 Ų35.329%0.28917%0.167SC..SBendtrans-78.861179.100000110.9D203 E205 A206D203-A302 WeakPolarHBondContact OD2-CB 3.5Å; D203-A302 PolarHBondContact OD2-N 2.71Å; D203-A302 VanDerWaalsContact OD2-N 3.17Å; E205-A302 HydrophobicContact CB-CB 4.28Å; E205-A302 HydrophobicContact CG-CB 4.43Å; A206-A302 HydrophobicContact CB-CB 4.3Å
303A89.4Confident92.1Very high6 Ų634.6 Ų34.65%0.0516%0.164CC..  trans-129.3137.6172.900000108.1M267 C301 P305 S373 E376M267-A303 HydrophobicContact CE-CB 3.84Å; M267-A303 VanDerWaalsContact CE-O 3.27Å; M267-A303 WeakPolarHBondContact CE-O 3.15Å; M267-A303 HydrophobicContact SD-CB 4.18Å; C301-A303 PolarHBondContact O-N 2.85Å; A303-P305 WeakPolarHBondContact O-CD 3.41Å; A303-S373 VanDerWaalsContact CB-O 3.23Å; A303-S373 WeakPolarHBondContact CB-O 3.45Å; A303-E376 WeakPolarHBondContact CA-OE2 3.25Å; A303-E376 HydrophobicContact CB-CB 4.34Å
304D90.5Very high92.1Very high25 Ų2534.5 Ų34.513%0.13416%0.163CC..  trans-91113.8176.9-166.2-20.8000110.1R306 H307 S373 E376D304-R306 VanDerWaalsContact CG-NE 3.3Å; D304-R306 PolarHBondContact O-N 2.87Å; D304-R306 VanDerWaalsContact OD1-CB 3.31Å; D304-R306 WeakPolarHBondContact OD1-CB 3.39Å; D304-R306 WeakPolarHBondContact OD1-CG 3.31Å; D304-R306 IonicContact OD1-CZ 3.22Å; D304-R306 PolarHBondContact OD1-N 3.14Å; D304-R306 IonicContact OD1-NE 2.76Å; D304-R306 PolarHBondContact OD1-NE 3.41Å; D304-R306 IonicContact OD1-NH2 2.78Å; D304-R306 IonicContact OD2-CZ 2.87Å; D304-R306 IonicContact OD2-NE 3.23Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.69Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å; D304-H307 PolarHBondContact O-N 3.4Å; D304-H307 IonicContact OD2-NE2 3.62Å; D304-S373 WeakPolarHBondContact O-CB 3.26Å; D304-E376 PolarHBondContact N-OE2 3.08Å
305P88.4Confident92.1Very high7 Ų733 Ų335%0.04516%0.158CC..G310 helixtrans-59.1-17.4179-23.234.2000113.8M267 A303 H307 G308 Y310M267-P305 HydrophobicContact CE-CG 4.11Å; A303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-H307 VanDerWaalsContact C-N 3.27Å; P305-H307 PolarHBondContact O-N 3.24Å; P305-G308 CarbonylContact O-C 3.57Å; P305-G308 PolarHBondContact O-N 2.8Å; P305-Y310 HydrophobicContact CB-CE2 3.63Å; P305-Y310 VanDerWaalsContact CB-OH 3.3Å; P305-Y310 WeakPolarHBondContact CB-OH 3.32Å; P305-Y310 HydrophobicContact CG-CE2 4.4Å; P305-Y310 WeakPolarHBondContact CG-OH 3Å
306R88Confident92.2Very high143 Ų14330.2 Ų30.254%0.5414%0.143SC..G310 helixtrans-72.5-19.4175.6-61.6174.7-73.2177.9-5.4113.3D304 G308 Y340D304-R306 VanDerWaalsContact CG-NE 3.3Å; D304-R306 PolarHBondContact O-N 2.87Å; D304-R306 VanDerWaalsContact OD1-CB 3.31Å; D304-R306 WeakPolarHBondContact OD1-CB 3.39Å; D304-R306 WeakPolarHBondContact OD1-CG 3.31Å; D304-R306 IonicContact OD1-CZ 3.22Å; D304-R306 PolarHBondContact OD1-N 3.14Å; D304-R306 IonicContact OD1-NE 2.76Å; D304-R306 PolarHBondContact OD1-NE 3.41Å; D304-R306 IonicContact OD1-NH2 2.78Å; D304-R306 IonicContact OD2-CZ 2.87Å; D304-R306 IonicContact OD2-NE 3.23Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.69Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å; R306-G308 VanDerWaalsContact C-N 3.34Å; R306-Y340 HydrophobicContact CB-CE1 4.42Å; R306-Y340 HydrophobicContact CG-CE1 4.11Å; R306-Y340 HydrophobicContact CG-CE2 4.23Å
307H91.4Very high92.4Very high111 Ų11128.7 Ų28.751%0.51413%0.132SC..G310 helixtrans-91.8-0.4176.8-58.4165.3000112.5D304 P305 E376 Q426D304-H307 PolarHBondContact O-N 3.4Å; D304-H307 IonicContact OD2-NE2 3.62Å; P305-H307 VanDerWaalsContact C-N 3.27Å; P305-H307 PolarHBondContact O-N 3.24Å; H307-E376 WeakPolarHBondContact CB-OE1 3.31Å; H307-E376 IonicContact CE1-OE1 2.58Å; H307-E376 IonicContact CG-OE1 3.55Å; H307-E376 IonicContact ND1-OE1 3.15Å; H307-E376 PolarHBondContact ND1-OE1 2.99Å; H307-E376 IonicContact ND1-OE2 3.92Å; H307-Q426 PolarHBondContact O-OE1 3.09Å
308G92.4Very high92.4Very high5 Ų521.9 Ų21.95%0.05210%0.102CC..SBendtrans-141.2-158.9174.700000112.5P305 R306 T372 Q426P305-G308 CarbonylContact O-C 3.57Å; P305-G308 PolarHBondContact O-N 2.8Å; R306-G308 VanDerWaalsContact C-N 3.34Å; G308-T372 WeakPolarHBondContact CA-OG1 3.49Å; G308-Q426 VanDerWaalsContact CA-OE1 3.22Å
309R94.3Very high92.3Very high96 Ų9621.4 Ų21.436%0.36210%0.1SC..  trans-130.8141.7177.3-60.2-65.1-177.51270.7109.5S339 Y340 F341 V342 S371 T372 Q426R309-S339 WeakPolarHBondContact CD-O 3.28Å; R309-S339 PolarHBondContact NE-O 3.06Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 2.7Å; R309-Y340 CarbonylContact C-O 3.6Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.4Å; R309-F341 PolarHBondContact NH1-O 3.09Å; R309-F341 VanDerWaalsContact NH1-O 3.16Å; R309-V342 HydrophobicContact CB-CG1 3.65Å; R309-V342 HydrophobicContact CG-CG1 4.36Å; R309-S371 CarbonylContact O-C 3.14Å; R309-S371 VanDerWaalsContact O-CA 3.29Å; R309-S371 WeakPolarHBondContact O-CA 3.3Å; R309-S371 PolarHBondContact O-OG 3.34Å; R309-S371 VanDerWaalsContact O-OG 3.07Å; R309-T372 PolarHBondContact N-OG1 3.15Å; R309-T372 PolarHBondContact O-N 3.02Å; R309-T372 PolarHBondContact O-OG1 3.23Å; R309-Q426 HydrophobicContact CG-CG 4.16Å
310Y94.7Very high92Very high4 Ų430.2 Ų30.22%0.01614%0.138CC..EExtended strand (participates in β ladder)trans-74.5121.9165.6-72.8-72000108.6W294 M299 P305 Y340 F341 V342 F367 N370W294-Y310 AromaticContact CE3-CE2 3.98Å; W294-Y310 HydrophobicContact CE3-CE2 3.98Å; W294-Y310 AromaticContact CZ3-CD2 3.88Å; W294-Y310 HydrophobicContact CZ3-CD2 3.88Å; W294-Y310 HydrophobicContact CZ3-CE1 4.39Å; W294-Y310 AromaticContact CZ3-CE2 3.63Å; W294-Y310 HydrophobicContact CZ3-CE2 3.63Å; W294-Y310 HydrophobicContact CZ3-CG 4.34Å; W294-Y310 AromaticContact CZ3-CZ 3.9Å; M299-Y310 WeakPolarHBondContact CE-OH 3.19Å; P305-Y310 HydrophobicContact CB-CE2 3.63Å; P305-Y310 VanDerWaalsContact CB-OH 3.3Å; P305-Y310 WeakPolarHBondContact CB-OH 3.32Å; P305-Y310 HydrophobicContact CG-CE2 4.4Å; P305-Y310 WeakPolarHBondContact CG-OH 3Å; Y310-Y340 PolarHBondContact N-O 3.29Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CZ 4.34Å; Y310-F341 HydrophobicContact CG-CD1 4.41Å; Y310-F341 HydrophobicContact CG-CE1 4.13Å; Y310-F341 WeakPolarHBondContact O-CA 3.22Å; Y310-V342 PolarHBondContact O-N 3.22Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 AromaticContact CE1-CE1 3.8Å; Y310-F367 HydrophobicContact CE1-CE1 3.8Å; Y310-F367 AromaticContact CE1-CZ 3.56Å; Y310-F367 HydrophobicContact CE1-CZ 3.56Å; Y310-F367 AromaticContact CZ-CZ 3.86Å; Y310-N370 CarbonylContact C-O 3.22Å; Y310-N370 WeakPolarHBondContact CA-O 3.27Å
311L95.2Very high91.8Very high0 Ų031.7 Ų31.70%015%0.145CC..EExtended strand (participates in β ladder)trans-73.8-51.7168-54.9-179.5000108.8P259 L263 V342 W344 I345 N348 N370 T372P259-L311 HydrophobicContact CG-CB 4.17Å; P259-L311 HydrophobicContact CG-CD1 4.14Å; L263-L311 HydrophobicContact CB-CD1 4.41Å; L263-L311 HydrophobicContact CD2-CD1 3.66Å; L311-V342 HydrophobicContact CD2-CG1 3.7Å; L311-V342 HydrophobicContact CD2-CG2 4.35Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 3.82Å; L311-I345 HydrophobicContact CB-CD1 4.13Å; L311-I345 WeakPolarHBondContact O-CD1 3.17Å; L311-N348 VanDerWaalsContact O-CB 3.23Å; L311-N348 WeakPolarHBondContact O-CB 3.38Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.4Å; L311-T372 HydrophobicContact CD1-CG2 4.48Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.15Å
312T94.5Very high91.7Very high6 Ų634.5 Ų34.54%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-146.7160178.866.40000110.5L257 I345 N348 N370L257-T312 VanDerWaalsContact C-OG1 3.3Å; L257-T312 VanDerWaalsContact CA-OG1 3.22Å; L257-T312 WeakPolarHBondContact CA-OG1 3.36Å; L257-T312 PolarHBondContact O-OG1 3.3Å; T312-I345 HydrophobicContact CG2-CD1 4.33Å; T312-N348 CarbonylContact C-O 3.59Å; T312-N348 VanDerWaalsContact CA-O 3.24Å; T312-N348 WeakPolarHBondContact CA-O 3.15Å; T312-N370 PolarHBondContact N-O 3.35Å; T312-N370 PolarHBondContact O-N 3.46Å; T312-N370 VanDerWaalsContact OG1-CB 3.26Å; T312-N370 WeakPolarHBondContact OG1-CB 3.29Å
313A94.1Very high91.7Very high0 Ų035.5 Ų35.50%017%0.167CC..EExtended strand (participates in β ladder)trans-149.2150.3171.800000112.7W294 N348 V349 K350 F367 I368W294-A313 HydrophobicContact CH2-CB 3.62Å; W294-A313 HydrophobicContact CZ2-CB 4.33Å; W294-A313 HydrophobicContact CZ3-CB 4.44Å; A313-N348 PolarHBondContact N-O 3.34Å; A313-V349 HydrophobicContact CB-CG1 4.46Å; A313-V349 HydrophobicContact CB-CG2 4.29Å; A313-V349 CarbonylContact O-C 3.51Å; A313-V349 VanDerWaalsContact O-CA 3.32Å; A313-V349 WeakPolarHBondContact O-CA 3.48Å; A313-K350 PolarHBondContact O-N 3.5Å; A313-F367 HydrophobicContact CB-CE2 3.83Å; A313-F367 HydrophobicContact CB-CZ 4Å; A313-I368 CarbonylContact C-O 3.47Å; A313-I368 VanDerWaalsContact CA-O 3.28Å; A313-I368 WeakPolarHBondContact CA-O 3.29Å
314S92.9Very high91.8Very high1 Ų141.6 Ų41.61%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-123.7131.6170.5-165.80000110.6K350 I368S314-K350 CarbonylContact C-O 3.57Å; S314-K350 WeakPolarHBondContact CA-O 3.27Å; S314-I368 PolarHBondContact N-O 2.94Å; S314-I368 PolarHBondContact O-N 3.24Å
315A93.1Very high92Very high0 Ų043.9 Ų43.90%020%0.203CC..EExtended strand (participates in β ladder)trans-114.2108.3174.800000108.9M293 F317 M330 K350 S351 T352M293-A315 HydrophobicContact CE-CB 3.82Å; M293-A315 HydrophobicContact SD-CB 3.38Å; M293-A315 WeakPolarHBondContact SD-CB 3.41Å; A315-F317 HydrophobicContact CB-CD2 4.44Å; A315-F317 HydrophobicContact CB-CE2 3.8Å; A315-M330 HydrophobicContact CB-CE 3.48Å; A315-M330 VanDerWaalsContact CB-CE 3.48Å; A315-M330 HydrophobicContact CB-SD 3.77Å; A315-K350 PolarHBondContact N-O 3.3Å; A315-S351 CarbonylContact O-C 3.47Å; A315-S351 WeakPolarHBondContact O-CA 3.4Å; A315-T352 PolarHBondContact O-N 3.49Å
316M92.4Very high92.2Very high3 Ų343.6 Ų43.62%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-102.7104.9-177.4-58.9-177.8178.200110.2L253 T352 S365 T366 I368L253-M316 HydrophobicContact CD1-CE 3.65Å; L253-M316 HydrophobicContact CD2-CE 4.36Å; M316-T352 WeakPolarHBondContact CA-OG1 3.33Å; M316-T352 WeakPolarHBondContact CG-OG1 3.26Å; M316-S365 CarbonylContact O-C 3.46Å; M316-S365 WeakPolarHBondContact O-CA 3.49Å; M316-T366 PolarHBondContact N-O 3.44Å; M316-T366 PolarHBondContact O-N 3.48Å; M316-I368 HydrophobicContact CE-CD1 3.48Å; M316-I368 VanDerWaalsContact CE-CD1 3.48Å; M316-I368 HydrophobicContact SD-CD1 4.18Å
317F93.6Very high92.4Very high1 Ų140.7 Ų40.70%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-91.2140.1177.8-68.7-94.5000111.3V286 L289 T290 M293 A315 M321 V326 M330 T352 V353 C354V286-F317 HydrophobicContact CG1-CE1 4.1Å; L289-F317 HydrophobicContact CB-CE1 4.16Å; L289-F317 HydrophobicContact CD1-CD1 4.34Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.38Å; M293-F317 HydrophobicContact CE-CE1 4.08Å; M293-F317 HydrophobicContact CE-CE2 3.94Å; M293-F317 HydrophobicContact CE-CZ 3.65Å; A315-F317 HydrophobicContact CB-CD2 4.44Å; A315-F317 HydrophobicContact CB-CE2 3.8Å; F317-M321 HydrophobicContact CB-CE 3.92Å; F317-M321 HydrophobicContact CB-SD 3.6Å; F317-M321 VanDerWaalsContact CB-SD 3.6Å; F317-M321 HydrophobicContact CD1-CE 4.47Å; F317-M321 HydrophobicContact CD1-SD 3.75Å; F317-M321 HydrophobicContact CG-SD 3.98Å; F317-V326 HydrophobicContact CD1-CG2 4.29Å; F317-V326 HydrophobicContact CD2-CG1 3.5Å; F317-V326 HydrophobicContact CD2-CG2 4.2Å; 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 4.09Å; F317-V326 HydrophobicContact CZ-CG1 4.21Å; F317-M330 HydrophobicContact CE2-CG 4.38Å; F317-M330 HydrophobicContact CE2-SD 4.06Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; F317-T352 PolarHBondContact N-O 2.83Å; F317-V353 HydrophobicContact CB-CG2 4.29Å; F317-V353 CarbonylContact O-C 3.58Å; F317-V353 WeakPolarHBondContact O-CA 3.25Å; F317-C354 PolarHBondContact O-N 3.44Å
318R91.8Very high92.6Very high3 Ų339.9 Ų39.91%0.01119%0.192CC..EExtended strand (participates in β ladder)trans-127.3135.4180-66-173.864.71765.8110.9E27 S234 C238 M321 C354 I356 P358 M363 A364E27-R318 IonicContact OE1-CZ 2.93Å; E27-R318 IonicContact OE1-NH1 3.54Å; E27-R318 PolarHBondContact OE1-NH1 3.39Å; E27-R318 IonicContact OE1-NH2 3.41Å; E27-R318 PolarHBondContact OE1-NH2 3.3Å; E27-R318 IonicContact OE2-CZ 3.49Å; E27-R318 IonicContact OE2-NH1 2.77Å; E27-R318 PolarHBondContact OE2-NH1 3.27Å; E27-R318 IonicContact OE2-NH2 3.82Å; E27-R318 PolarHBondContact OE2-NH2 3.17Å; S234-R318 PolarHBondContact O-NH1 2.82Å; S234-R318 PolarHBondContact OG-NH1 2.83Å; C238-R318 HydrophobicContact CB-CG 4.42Å; C238-R318 VanDerWaalsContact SG-CD 3.55Å; C238-R318 VanDerWaalsContact SG-CZ 3.56Å; C238-R318 PolarHBondContact SG-NE 3.18Å; R318-M321 VanDerWaalsContact C-CE 3.48Å; R318-M321 WeakPolarHBondContact O-CE 3.44Å; R318-C354 CarbonylContact C-O 3.55Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.47Å; R318-C354 HydrophobicContact CG-CB 4.48Å; R318-I356 PolarHBondContact NE-O 3.15Å; R318-P358 HydrophobicContact CB-CG 4.44Å; R318-M363 CarbonylContact O-C 3.47Å; R318-M363 WeakPolarHBondContact O-CA 3.29Å; R318-M363 WeakPolarHBondContact O-CB 3.32Å; R318-A364 PolarHBondContact N-O 2.89Å; R318-A364 PolarHBondContact O-N 2.85Å
319G90.2Very high92.7Very high0 Ų041.7 Ų41.70%020%0.2CC..SBendtrans108.4166.2-178.100000113.3M321 C354G319-M321 VanDerWaalsContact O-CE 3.32Å; G319-M321 WeakPolarHBondContact O-CE 3.3Å; G319-M321 PolarHBondContact O-N 3.06Å; G319-M321 VanDerWaalsContact O-N 3.09Å; G319-C354 PolarHBondContact N-O 2.9Å
320K87.8Confident92.6Very high186 Ų18637.3 Ų37.381%0.80918%0.183SC*.SBendtrans-68.4106.5-179.2-64.7-176.2179.9-178.70110.8
321M90Very high92.5Very high32 Ų3241.7 Ų41.716%0.15821%0.206CC..  trans-147.9166.5177.466.1-168.383.800111.7V286 F317 R318 G319 T323 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4Å; V286-M321 HydrophobicContact CG2-CG 4.34Å; V286-M321 HydrophobicContact CG2-SD 3.85Å; F317-M321 HydrophobicContact CB-CE 3.92Å; F317-M321 HydrophobicContact CB-SD 3.6Å; F317-M321 VanDerWaalsContact CB-SD 3.6Å; F317-M321 HydrophobicContact CD1-CE 4.47Å; F317-M321 HydrophobicContact CD1-SD 3.75Å; F317-M321 HydrophobicContact CG-SD 3.98Å; R318-M321 VanDerWaalsContact C-CE 3.48Å; R318-M321 WeakPolarHBondContact O-CE 3.44Å; G319-M321 VanDerWaalsContact O-CE 3.32Å; G319-M321 WeakPolarHBondContact O-CE 3.3Å; G319-M321 PolarHBondContact O-N 3.06Å; G319-M321 VanDerWaalsContact O-N 3.09Å; M321-T323 PolarHBondContact O-N 3.11Å; M321-V326 HydrophobicContact CG-CG2 4.08Å; M321-V326 HydrophobicContact SD-CG2 3.81Å; M321-V353 HydrophobicContact CG-CG1 4.03Å; M321-M363 HydrophobicContact CB-CE 4.16Å; M321-M363 HydrophobicContact CE-CB 3.87Å; M321-M363 HydrophobicContact CE-CE 3.67Å; M321-M363 HydrophobicContact SD-CE 3.84Å
322S90.7Very high92.3Very high60 Ų6045.7 Ų45.742%0.4223%0.228SC..  trans-78.6120.1178.3-175.70000110.5K324 E325 V326S322-K324 PolarHBondContact O-N 2.75Å; S322-E325 PolarHBondContact O-N 3.05Å; S322-E325 VanDerWaalsContact O-N 3.14Å; S322-V326 PolarHBondContact O-N 3.13Å; S322-V326 VanDerWaalsContact O-N 3.09Å
323T89.5Confident92.2Very high56 Ų5646.3 Ų46.334%0.34423%0.231SC..Hα-helixtrans-57.8-38.6173.151.90000111.7M321 E325 V326 D327 V353M321-T323 PolarHBondContact O-N 3.11Å; T323-E325 PolarHBondContact O-N 3.4Å; T323-V326 WeakPolarHBondContact O-CB 3.26Å; T323-V326 PolarHBondContact O-N 3.03Å; T323-D327 PolarHBondContact O-N 2.9Å; T323-V353 HydrophobicContact CG2-CB 4.21Å; T323-V353 HydrophobicContact CG2-CG2 4.04Å
324K92.9Very high91.9Very high134 Ų13448.6 Ų48.658%0.58324%0.242SC*.Hα-helixtrans-58.9-44.6174.9-178.5-178.8170.7-177.30112.3S322 V326 D327 E328S322-K324 PolarHBondContact O-N 2.75Å; K324-V326 VanDerWaalsContact C-N 3.34Å; K324-D327 PolarHBondContact O-N 3.1Å; K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 IonicContact NZ-OE1 3.44Å; K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.42Å; K324-E328 PolarHBondContact O-N 3.28Å
325E94.2Very high91.7Very high74 Ų7453.6 Ų53.635%0.34627%0.269SS..Hα-helixtrans-65.3-39.8178.1-173.6-178.7-170.500111.2V286 S322 T323 E328 Q329V286-E325 HydrophobicContact CB-CG 4.08Å; V286-E325 HydrophobicContact CG1-CG 4.35Å; V286-E325 HydrophobicContact CG2-CG 4.35Å; S322-E325 PolarHBondContact O-N 3.05Å; S322-E325 VanDerWaalsContact O-N 3.14Å; T323-E325 PolarHBondContact O-N 3.4Å; E325-E328 PolarHBondContact O-N 3.37Å; E325-Q329 WeakPolarHBondContact O-CB 3.38Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.33Å; E325-Q329 PolarHBondContact O-N 3.47Å
326V92.9Very high91.6Very high0 Ų061.9 Ų61.90%031%0.305CS..Hα-helixtrans-58.3-51.9174170.60000110.6V286 F317 M321 S322 T323 K324 E328 Q329 M330 V353V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.76Å; V286-V326 HydrophobicContact CG2-CG2 4.27Å; F317-V326 HydrophobicContact CD1-CG2 4.29Å; F317-V326 HydrophobicContact CD2-CG1 3.5Å; F317-V326 HydrophobicContact CD2-CG2 4.2Å; 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 4.09Å; F317-V326 HydrophobicContact CZ-CG1 4.21Å; M321-V326 HydrophobicContact CG-CG2 4.08Å; M321-V326 HydrophobicContact SD-CG2 3.81Å; S322-V326 PolarHBondContact O-N 3.13Å; S322-V326 VanDerWaalsContact O-N 3.09Å; T323-V326 WeakPolarHBondContact O-CB 3.26Å; T323-V326 PolarHBondContact O-N 3.03Å; K324-V326 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 3.38Å; V326-Q329 PolarHBondContact O-N 3.24Å; V326-M330 HydrophobicContact CG1-CG 4.27Å; V326-M330 VanDerWaalsContact O-CG 3.26Å; V326-M330 WeakPolarHBondContact O-CG 3.27Å; V326-M330 PolarHBondContact O-N 3.21Å; V326-V353 HydrophobicContact CB-CG2 4.36Å; V326-V353 HydrophobicContact CG1-CG2 4.27Å; V326-V353 HydrophobicContact CG2-CG2 4.09Å
327D92.5Very high91.4Very high83 Ų8363 Ų6344%0.44431%0.311SS..Hα-helixtrans-63-40.8-178.3-65.2-24.7000112.1T323 K324 M330 L331 S351T323-D327 PolarHBondContact O-N 2.9Å; K324-D327 PolarHBondContact O-N 3.1Å; D327-M330 PolarHBondContact O-N 3.33Å; D327-L331 WeakPolarHBondContact O-CB 3.39Å; D327-L331 PolarHBondContact O-N 2.92Å; D327-S351 PolarHBondContact OD1-OG 3.04Å
328E94.8Very high91Very high93 Ų9366.7 Ų66.744%0.43534%0.337SS..Hα-helixtrans-61.2-44.4174.2-75.4176.4-178.700111.9K324 E325 V326 L331 N332K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 IonicContact NZ-OE1 3.44Å; K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.42Å; K324-E328 PolarHBondContact O-N 3.28Å; E325-E328 PolarHBondContact O-N 3.37Å; V326-E328 PolarHBondContact O-N 3.38Å; E328-L331 PolarHBondContact O-N 3.35Å; E328-N332 PolarHBondContact O-N 3.32Å; E328-N332 PolarHBondContact O-ND2 3.37Å; E328-N332 VanDerWaalsContact O-ND2 3.12Å
329Q94.2Very high90.9Very high44 Ų4469.7 Ų69.721%0.20636%0.358CS..Hα-helixtrans-67.6-38178-70-53-52.600112.3V286 P287 T290 E325 V326 N332 V333V286-Q329 HydrophobicContact CG1-CB 4.35Å; V286-Q329 HydrophobicContact CG1-CG 4.08Å; P287-Q329 HydrophobicContact CB-CG 4.36Å; P287-Q329 HydrophobicContact CG-CG 3.99Å; T290-Q329 HydrophobicContact CG2-CB 4.26Å; E325-Q329 WeakPolarHBondContact O-CB 3.38Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.33Å; E325-Q329 PolarHBondContact O-N 3.47Å; V326-Q329 PolarHBondContact O-N 3.24Å; Q329-N332 PolarHBondContact O-N 2.85Å; Q329-V333 WeakPolarHBondContact O-CG2 3.44Å; Q329-V333 PolarHBondContact O-N 2.95Å
330M93Very high90.9Very high4 Ų473.1 Ų73.12%0.0237%0.372CS..Hα-helixtrans-68-38.8177.8-68.3-55.2-60.500112T290 W294 A315 F317 V326 D327 N332 V333 Q334 V349T290-M330 HydrophobicContact CG2-SD 4.1Å; W294-M330 HydrophobicContact CZ2-CE 3.83Å; A315-M330 HydrophobicContact CB-CE 3.48Å; A315-M330 VanDerWaalsContact CB-CE 3.48Å; A315-M330 HydrophobicContact CB-SD 3.77Å; F317-M330 HydrophobicContact CE2-CG 4.38Å; F317-M330 HydrophobicContact CE2-SD 4.06Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; V326-M330 HydrophobicContact CG1-CG 4.27Å; V326-M330 VanDerWaalsContact O-CG 3.26Å; V326-M330 WeakPolarHBondContact O-CG 3.27Å; V326-M330 PolarHBondContact O-N 3.21Å; D327-M330 PolarHBondContact O-N 3.33Å; M330-N332 VanDerWaalsContact C-N 3.35Å; M330-V333 PolarHBondContact O-N 3.23Å; M330-Q334 WeakPolarHBondContact O-CG 3.38Å; M330-Q334 PolarHBondContact O-N 3.5Å; M330-Q334 PolarHBondContact O-NE2 3.07Å; M330-V349 HydrophobicContact CE-CG1 3.36Å
331L91.5Very high91.1Very high95 Ų9564.9 Ų64.950%0.49734%0.336SS..Hα-helixtrans-63.4-41.7172.6-174.467.1000111.4D327 E328 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.39Å; D327-L331 PolarHBondContact O-N 2.92Å; E328-L331 PolarHBondContact O-N 3.35Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.32Å; L331-Q334 PolarHBondContact O-N 2.6Å; L331-N335 WeakPolarHBondContact O-CB 3.34Å; L331-N335 VanDerWaalsContact O-CG 3.3Å; L331-N335 PolarHBondContact O-N 3.04Å; L331-N335 PolarHBondContact O-ND2 2.94Å
332N92.7Very high91.2Very high84 Ų8463.8 Ų63.845%0.44933%0.331SS..Hα-helixtrans-61.9-40.1176.8-71.9-28.7000112.4E328 Q329 M330 K336E328-N332 PolarHBondContact O-N 3.32Å; E328-N332 PolarHBondContact O-ND2 3.37Å; E328-N332 VanDerWaalsContact O-ND2 3.12Å; Q329-N332 PolarHBondContact O-N 2.85Å; M330-N332 VanDerWaalsContact C-N 3.35Å; N332-K336 VanDerWaalsContact O-CB 3.26Å; N332-K336 WeakPolarHBondContact O-CB 3.13Å; N332-K336 PolarHBondContact O-N 3.23Å
333V90.4Very high91Very high19 Ų1967.6 Ų67.612%0.11534%0.342CS..Hα-helixtrans-64.8-47.7175.1171.90000111.2T290 W294 Q329 M330 L331 N335 K336 N337T290-V333 HydrophobicContact CG2-CG2 3.39Å; W294-V333 HydrophobicContact CD2-CG1 3.74Å; W294-V333 HydrophobicContact CE3-CG1 4.41Å; W294-V333 HydrophobicContact CG-CG1 3.76Å; W294-V333 HydrophobicContact CZ2-CG1 4.29Å; Q329-V333 WeakPolarHBondContact O-CG2 3.44Å; Q329-V333 PolarHBondContact O-N 2.95Å; M330-V333 PolarHBondContact O-N 3.23Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.32Å; V333-N335 VanDerWaalsContact C-N 3.3Å; V333-N335 PolarHBondContact O-N 2.66Å; V333-K336 PolarHBondContact O-N 3.39Å; V333-N337 VanDerWaalsContact O-CB 3.3Å; V333-N337 WeakPolarHBondContact O-CB 3.32Å; V333-N337 PolarHBondContact O-N 2.89Å
334Q88.7Confident90.9Very high49 Ų4966.2 Ų66.223%0.22933%0.331CS..Hα-helixtrans-57.8-44178.4-75.6174.563.500111.5M330 L331 N337 S338 V349M330-Q334 WeakPolarHBondContact O-CG 3.38Å; M330-Q334 PolarHBondContact O-N 3.5Å; M330-Q334 PolarHBondContact O-NE2 3.07Å; L331-Q334 PolarHBondContact O-N 2.6Å; Q334-N337 CarbonylContact O-C 3.52Å; Q334-S338 VanDerWaalsContact O-CA 3.22Å; Q334-S338 WeakPolarHBondContact O-CA 3.36Å; Q334-S338 WeakPolarHBondContact O-CB 3.43Å; Q334-S338 PolarHBondContact O-N 3.23Å; Q334-V349 HydrophobicContact CG-CB 4.14Å; Q334-V349 HydrophobicContact CG-CG2 3.76Å
335N89.4Confident90.6Very high106 Ų10661.3 Ų61.357%0.56731%0.31SS*.Hα-helixtrans-65.3-41177.4-72-28.6000112.8L331 V333L331-N335 WeakPolarHBondContact O-CB 3.34Å; L331-N335 VanDerWaalsContact O-CG 3.3Å; L331-N335 PolarHBondContact O-N 3.04Å; L331-N335 PolarHBondContact O-ND2 2.94Å; V333-N335 VanDerWaalsContact C-N 3.3Å; V333-N335 PolarHBondContact O-N 2.66Å
336K89.9Confident90.1Very high173 Ų17362.6 Ų62.675%0.75233%0.325SS*.Hα-helixtrans-71.9-36.5-179-178.2-179.1172.8-174.40112.4N332 V333N332-K336 VanDerWaalsContact O-CB 3.26Å; N332-K336 WeakPolarHBondContact O-CB 3.13Å; N332-K336 PolarHBondContact O-N 3.23Å; V333-K336 PolarHBondContact O-N 3.39Å
337N88.2Confident89.7Confident28 Ų2868.6 Ų68.615%0.1536%0.358CS..THydrogen-bonded Turntrans-109.824.6-173.4-64.4-6.8000111.6V333 Q334 S339 Y340 F341V333-N337 VanDerWaalsContact O-CB 3.3Å; V333-N337 WeakPolarHBondContact O-CB 3.32Å; V333-N337 PolarHBondContact O-N 2.89Å; Q334-N337 CarbonylContact O-C 3.52Å; N337-S339 PolarHBondContact O-N 2.82Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-Y340 HydrophobicContact CB-CD2 3.75Å; N337-Y340 HydrophobicContact CB-CE2 4.37Å; N337-Y340 HydrophobicContact CB-CG 4.41Å; N337-Y340 WeakPolarHBondContact O-CA 3.43Å; N337-Y340 WeakPolarHBondContact O-CB 3.33Å; N337-Y340 PolarHBondContact O-N 3.26Å; N337-F341 HydrophobicContact CB-CE2 4.3Å; N337-F341 VanDerWaalsContact O-CD2 3.3Å; N337-F341 WeakPolarHBondContact O-CD2 3.47Å
338S86.7Confident89.5Confident77 Ų7765.5 Ų65.554%0.53834%0.341SS..G310 helixtrans-55.5-33.8-17556.40000112.6Q334 Y340 F341Q334-S338 VanDerWaalsContact O-CA 3.22Å; Q334-S338 WeakPolarHBondContact O-CA 3.36Å; Q334-S338 WeakPolarHBondContact O-CB 3.43Å; Q334-S338 PolarHBondContact O-N 3.23Å; S338-Y340 PolarHBondContact O-N 2.86Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 VanDerWaalsContact O-N 3.11Å
339S88.7Confident89.3Confident66 Ų6661.7 Ų61.746%0.46232%0.324SS..G310 helixtrans-68-7.3174.264.80000115R309 N337R309-S339 WeakPolarHBondContact CD-O 3.28Å; R309-S339 PolarHBondContact NE-O 3.06Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 2.7Å; N337-S339 PolarHBondContact O-N 2.82Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340Y91.1Very high89Confident73 Ų7362.8 Ų62.829%0.28633%0.328SS..G310 helixtrans-99.3-2.5174-58.3-24.2000111.8R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.42Å; R306-Y340 HydrophobicContact CG-CE1 4.11Å; R306-Y340 HydrophobicContact CG-CE2 4.23Å; R309-Y340 CarbonylContact C-O 3.6Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.4Å; Y310-Y340 PolarHBondContact N-O 3.29Å; N337-Y340 HydrophobicContact CB-CD2 3.75Å; N337-Y340 HydrophobicContact CB-CE2 4.37Å; N337-Y340 HydrophobicContact CB-CG 4.41Å; N337-Y340 WeakPolarHBondContact O-CA 3.43Å; N337-Y340 WeakPolarHBondContact O-CB 3.33Å; N337-Y340 PolarHBondContact O-N 3.26Å; S338-Y340 PolarHBondContact O-N 2.86Å
341F91.7Very high88.9Confident12 Ų1264.2 Ų64.25%0.05334%0.339CS..BIsolated β-bridgetrans-105.2155.1174-66.5-87.8000110W294 R309 Y310 N337 S338 N348 V349W294-F341 AromaticContact CH2-CE1 3.84Å; W294-F341 HydrophobicContact CH2-CE1 3.84Å; W294-F341 HydrophobicContact CH2-CE2 4.48Å; W294-F341 AromaticContact CH2-CZ 3.35Å; W294-F341 HydrophobicContact CH2-CZ 3.35Å; W294-F341 HydrophobicContact CZ2-CZ 4.24Å; W294-F341 HydrophobicContact CZ3-CE1 4.12Å; W294-F341 HydrophobicContact CZ3-CE2 4.41Å; W294-F341 AromaticContact CZ3-CZ 3.52Å; W294-F341 HydrophobicContact CZ3-CZ 3.52Å; R309-F341 PolarHBondContact NH1-O 3.09Å; R309-F341 VanDerWaalsContact NH1-O 3.16Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CZ 4.34Å; Y310-F341 HydrophobicContact CG-CD1 4.41Å; Y310-F341 HydrophobicContact CG-CE1 4.13Å; Y310-F341 WeakPolarHBondContact O-CA 3.22Å; N337-F341 HydrophobicContact CB-CE2 4.3Å; N337-F341 VanDerWaalsContact O-CD2 3.3Å; N337-F341 WeakPolarHBondContact O-CD2 3.47Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 VanDerWaalsContact O-N 3.11Å; F341-N348 WeakPolarHBondContact CD1-ND2 3.26Å; F341-V349 HydrophobicContact CD1-CG2 4.09Å; F341-V349 HydrophobicContact CE1-CG2 3.28Å; F341-V349 HydrophobicContact CZ-CG2 3.62Å
342V91Very high88.8Confident10 Ų1059.9 Ų59.96%0.06132%0.316CS..  trans-70.4144.8162.9-62.60000109.7R309 Y310 L311 W344 I345R309-V342 HydrophobicContact CB-CG1 3.65Å; R309-V342 HydrophobicContact CG-CG1 4.36Å; Y310-V342 PolarHBondContact O-N 3.22Å; L311-V342 HydrophobicContact CD2-CG1 3.7Å; L311-V342 HydrophobicContact CD2-CG2 4.35Å; V342-W344 HydrophobicContact CB-CD2 4.2Å; V342-W344 HydrophobicContact CB-CG 4.42Å; V342-W344 HydrophobicContact CB-CZ2 3.88Å; V342-W344 HydrophobicContact CG1-CZ2 3.73Å; V342-W344 HydrophobicContact CG2-CD2 4.19Å; V342-W344 HydrophobicContact CG2-CH2 4.28Å; V342-W344 HydrophobicContact CG2-CZ2 3.91Å; V342-I345 HydrophobicContact CG2-CB 3.95Å; V342-I345 HydrophobicContact CG2-CD1 3.94Å; V342-I345 HydrophobicContact CG2-CG1 3.73Å
343E87Confident88.7Confident140 Ų14056.6 Ų56.665%0.65430%0.299SS*.SBendtrans-86.6-21.9-17760.3-178.2-170.200113.4A430E343-A430 HydrophobicContact CG-CB 4.25Å; E343-A430 PolarHBondContact OE1-N 3.14Å
344W86.9Confident88.6Confident27 Ų2755.8 Ų55.810%0.10229%0.294CS..SBendtrans-85.4-18.2-17447-100.2000113.9F260 L311 V342 P346 A428 A430F260-W344 AromaticContact CE2-CH2 3.69Å; F260-W344 HydrophobicContact CE2-CH2 3.69Å; F260-W344 AromaticContact CE2-CZ3 3.92Å; F260-W344 HydrophobicContact CE2-CZ3 3.92Å; F260-W344 HydrophobicContact CZ-CH2 4.37Å; F260-W344 HydrophobicContact CZ-CZ3 4.23Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 3.82Å; V342-W344 HydrophobicContact CB-CD2 4.2Å; V342-W344 HydrophobicContact CB-CG 4.42Å; V342-W344 HydrophobicContact CB-CZ2 3.88Å; V342-W344 HydrophobicContact CG1-CZ2 3.73Å; V342-W344 HydrophobicContact CG2-CD2 4.19Å; V342-W344 HydrophobicContact CG2-CH2 4.28Å; V342-W344 HydrophobicContact CG2-CZ2 3.91Å; W344-P346 WeakPolarHBondContact O-CD 3.04Å; W344-A428 PolarHBondContact NE1-O 2.71Å; W344-A430 HydrophobicContact CB-CB 4.45Å
345I86.8Confident88.4Confident30 Ų3058.2 Ų58.215%0.15431%0.309CS..SBendtrans-92.1106.9169.5-53.7-176.9000110.6P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 3.9Å; P259-I345 HydrophobicContact CG-CD1 3.89Å; L311-I345 HydrophobicContact CB-CD1 4.13Å; L311-I345 WeakPolarHBondContact O-CD1 3.17Å; T312-I345 HydrophobicContact CG2-CD1 4.33Å; V342-I345 HydrophobicContact CG2-CB 3.95Å; V342-I345 HydrophobicContact CG2-CD1 3.94Å; V342-I345 HydrophobicContact CG2-CG1 3.73Å; I345-N348 HydrophobicContact CB-CB 4.13Å; I345-N348 HydrophobicContact CG2-CB 3.78Å
346P84.3Confident88.3Confident102 Ų10254.4 Ų54.466%0.66229%0.288SS*.THydrogen-bonded Turntrans-71.8147174.830.8-35.5000111.5W344 N348W344-P346 WeakPolarHBondContact O-CD 3.04Å; P346-N348 PolarHBondContact O-N 2.76Å
347N84.3Confident88.2Confident126 Ų12648.4 Ų48.467%0.67427%0.267SS*.THydrogen-bonded Turntrans52.938.7174.6-55.9-61.1000114.3V349 K350N347-V349 PolarHBondContact O-N 3.36Å; N347-K350 PolarHBondContact O-NZ 2.94Å
348N87.7Confident88.3Confident17 Ų1747.7 Ų47.79%0.09126%0.264CS..  trans-70.2-8.2-173.756.66.5000115.7L311 T312 A313 F341 I345 P346L311-N348 VanDerWaalsContact O-CB 3.23Å; L311-N348 WeakPolarHBondContact O-CB 3.38Å; T312-N348 CarbonylContact C-O 3.59Å; T312-N348 VanDerWaalsContact CA-O 3.24Å; T312-N348 WeakPolarHBondContact CA-O 3.15Å; A313-N348 PolarHBondContact N-O 3.34Å; F341-N348 WeakPolarHBondContact CD1-ND2 3.26Å; I345-N348 HydrophobicContact CB-CB 4.13Å; I345-N348 HydrophobicContact CG2-CB 3.78Å; P346-N348 PolarHBondContact O-N 2.76Å
349V90.6Very high88.3Confident14 Ų1448.4 Ų48.49%0.08527%0.265CS..EExtended strand (participates in β ladder)trans-111.4129.5175.6-175.10000111W294 A313 M330 Q334 F341 N347W294-V349 HydrophobicContact CH2-CG2 4.34Å; W294-V349 HydrophobicContact CZ2-CG1 4.17Å; A313-V349 HydrophobicContact CB-CG1 4.46Å; A313-V349 HydrophobicContact CB-CG2 4.29Å; A313-V349 CarbonylContact O-C 3.51Å; A313-V349 VanDerWaalsContact O-CA 3.32Å; A313-V349 WeakPolarHBondContact O-CA 3.48Å; M330-V349 HydrophobicContact CE-CG1 3.36Å; Q334-V349 HydrophobicContact CG-CB 4.14Å; Q334-V349 HydrophobicContact CG-CG2 3.76Å; F341-V349 HydrophobicContact CD1-CG2 4.09Å; F341-V349 HydrophobicContact CE1-CG2 3.28Å; F341-V349 HydrophobicContact CZ-CG2 3.62Å; N347-V349 PolarHBondContact O-N 3.36Å
350K89.2Confident88.2Confident67 Ų6749.1 Ų49.129%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-115.4131.4174.9-59.1-57.2-176.6-1480111.5A313 S314 A315 N347A313-K350 PolarHBondContact O-N 3.5Å; S314-K350 CarbonylContact C-O 3.57Å; S314-K350 WeakPolarHBondContact CA-O 3.27Å; A315-K350 PolarHBondContact N-O 3.3Å; N347-K350 PolarHBondContact O-NZ 2.94Å
351S90.2Very high88.1Confident34 Ų3448.3 Ų48.324%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-98140167.842.50000110.8A315 D327A315-S351 CarbonylContact O-C 3.47Å; A315-S351 WeakPolarHBondContact O-CA 3.4Å; D327-S351 PolarHBondContact OD1-OG 3.04Å
352T89.1Confident88Confident4 Ų456.5 Ų56.53%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-130.9149.216873.70000109.8L246 A315 M316 F317L246-T352 HydrophobicContact CB-CG2 3.78Å; A315-T352 PolarHBondContact O-N 3.49Å; M316-T352 WeakPolarHBondContact CA-OG1 3.33Å; M316-T352 WeakPolarHBondContact CG-OG1 3.26Å; F317-T352 PolarHBondContact N-O 2.83Å
353V90.1Very high88.1Confident14 Ų1457 Ų579%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-129.1129.7177.2-174.10000109.2F317 M321 T323 V326F317-V353 HydrophobicContact CB-CG2 4.29Å; F317-V353 CarbonylContact O-C 3.58Å; F317-V353 WeakPolarHBondContact O-CA 3.25Å; M321-V353 HydrophobicContact CG-CG1 4.03Å; T323-V353 HydrophobicContact CG2-CB 4.21Å; T323-V353 HydrophobicContact CG2-CG2 4.04Å; V326-V353 HydrophobicContact CB-CG2 4.36Å; V326-V353 HydrophobicContact CG1-CG2 4.27Å; V326-V353 HydrophobicContact CG2-CG2 4.09Å
354C88.5Confident88.5Confident2 Ų250.4 Ų50.41%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-117.8130.5169179.90000109.1C238 F317 R318 G319 I356C238-C354 PolarHBondContact SG-SG 3.17Å; F317-C354 PolarHBondContact O-N 3.44Å; R318-C354 CarbonylContact C-O 3.55Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.47Å; R318-C354 HydrophobicContact CG-CB 4.48Å; G319-C354 PolarHBondContact N-O 2.9Å; C354-I356 PolarHBondContact O-N 2.85Å
355D85.5Confident88.8Confident101 Ų10149.1 Ų49.154%0.5429%0.285SS..SBendtrans-70.7-12.4-175.9-71-31.7000113.8P357D355-P357 WeakPolarHBondContact O-CD 3.48Å
356I86.5Confident89.2Confident25 Ų2547.7 Ų47.713%0.12828%0.278CS..  trans-92.1109.7-177.1-59.7174000109.8L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.85Å; F242-I356 HydrophobicContact CB-CD1 3.9Å; F242-I356 HydrophobicContact CD1-CD1 3.27Å; F242-I356 HydrophobicContact CD2-CB 4.42Å; F242-I356 HydrophobicContact CD2-CD1 4.2Å; F242-I356 HydrophobicContact CD2-CG2 4.43Å; F242-I356 HydrophobicContact CE1-CD1 3.76Å; F242-I356 HydrophobicContact CE2-CG2 4.17Å; F242-I356 HydrophobicContact CG-CD1 3.53Å; F242-I356 HydrophobicContact CZ-CD1 4.39Å; F242-I356 HydrophobicContact CZ-CG2 4.28Å; R318-I356 PolarHBondContact NE-O 3.15Å; C354-I356 PolarHBondContact O-N 2.85Å
357P89.1Confident89.8Confident48 Ų4842.9 Ų42.931%0.31225%0.246SC..PPolyproline II helixtrans-73.3157.5176.433.2-35000111.1D355 L361 K362D355-P357 WeakPolarHBondContact O-CD 3.48Å; P357-L361 WeakPolarHBondContact CB-O 3.49Å; P357-K362 WeakPolarHBondContact CB-O 3.29Å
358P89.8Confident90.3Very high13 Ų1336.9 Ų36.98%0.08421%0.214CC..PPolyproline II helixtrans-62.8153.7169.6-18.131.5000111.6R318 G360 L361 A364R318-P358 HydrophobicContact CB-CG 4.44Å; P358-G360 PolarHBondContact O-N 3Å; P358-L361 HydrophobicContact CB-CD1 4.4Å; P358-L361 HydrophobicContact CG-CD1 4.47Å; P358-L361 PolarHBondContact O-N 3.38Å; P358-A364 HydrophobicContact CG-CB 3.56Å
359T86.6Confident90.6Very high91 Ų9136 Ų3656%0.55821%0.21SC*.THydrogen-bonded Turntrans-55127.4178.9-50.20000111.7A26 L361A26-T359 HydrophobicContact CB-CG2 4.32Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 3.34Å
360G86.1Confident90.9Very high82 Ų8235.4 Ų35.485%0.84521%0.206SC*.THydrogen-bonded Turntrans83.1-2.4178.900000115.3P358P358-G360 PolarHBondContact O-N 3Å
361L89.3Confident91.2Very high55 Ų5532.2 Ų32.229%0.28819%0.192SC..  trans-116.8154.6176.2-62.7176.7000111F270 P272 P357 P358 T359 A364F270-L361 HydrophobicContact CE1-CD1 4.38Å; F270-L361 HydrophobicContact CZ-CD1 3.9Å; P272-L361 HydrophobicContact CG-CD2 4.48Å; P357-L361 WeakPolarHBondContact CB-O 3.49Å; P358-L361 HydrophobicContact CB-CD1 4.4Å; P358-L361 HydrophobicContact CG-CD1 4.47Å; P358-L361 PolarHBondContact O-N 3.38Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 3.34Å; L361-A364 HydrophobicContact CD1-CB 4.14Å
362K90.1Very high91.4Very high185 Ų18530.6 Ų30.680%0.80418%0.181SC*.SBendtrans-87.5-32.1172.6-68.9-175.4178.9179.20112.4P357P357-K362 WeakPolarHBondContact CB-O 3.29Å
363M93.1Very high91.8Very high21 Ų2130.4 Ų30.410%0.10318%0.179CC..  trans-157.1153177.159.4-173.2-3600109.3L284 V286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.7Å; L284-M363 HydrophobicContact CB-SD 3.77Å; L284-M363 HydrophobicContact CD1-CG 4.15Å; V286-M363 HydrophobicContact CG2-CE 3.81Å; L289-M363 HydrophobicContact CD1-CB 4.24Å; L289-M363 HydrophobicContact CD1-CE 3.73Å; L289-M363 HydrophobicContact CD1-CG 3.92Å; L289-M363 HydrophobicContact CD1-SD 4.21Å; R318-M363 CarbonylContact O-C 3.47Å; R318-M363 WeakPolarHBondContact O-CA 3.29Å; R318-M363 WeakPolarHBondContact O-CB 3.32Å; M321-M363 HydrophobicContact CB-CE 4.16Å; M321-M363 HydrophobicContact CE-CB 3.87Å; M321-M363 HydrophobicContact CE-CE 3.67Å; M321-M363 HydrophobicContact SD-CE 3.84Å
364A94.5Very high92Very high0 Ų029.7 Ų29.70%018%0.175CC..EExtended strand (participates in β ladder)trans-151.2170.3176.100000109.4F270 A271 R318 P358 L361F270-A364 HydrophobicContact CE2-CB 4.11Å; F270-A364 HydrophobicContact CZ-CB 3.98Å; A271-A364 CarbonylContact O-C 3.48Å; A271-A364 VanDerWaalsContact O-CA 3.3Å; A271-A364 WeakPolarHBondContact O-CA 3.49Å; A271-A364 WeakPolarHBondContact O-CB 3.31Å; R318-A364 PolarHBondContact N-O 2.89Å; R318-A364 PolarHBondContact O-N 2.85Å; P358-A364 HydrophobicContact CG-CB 3.56Å; L361-A364 HydrophobicContact CD1-CB 4.14Å
365S94.5Very high92.3Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-148142.4173.668.60000111.3A271 M293 M316A271-S365 PolarHBondContact N-O 3.37Å; A271-S365 PolarHBondContact O-N 3.19Å; M293-S365 VanDerWaalsContact CE-OG 3.23Å; M293-S365 WeakPolarHBondContact CE-OG 3.36Å; M316-S365 CarbonylContact O-C 3.46Å; M316-S365 WeakPolarHBondContact O-CA 3.49Å
366T95.1Very high92.8Very high1 Ų127.8 Ų27.81%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-117.1134.7177.8-64.70000109.4T232 G235 V236 G269 M316T232-T366 HydrophobicContact CG2-CG2 4.17Å; G235-T366 WeakPolarHBondContact CA-OG1 3.15Å; V236-T366 HydrophobicContact CG2-CG2 3.81Å; G269-T366 CarbonylContact O-C 3.58Å; G269-T366 WeakPolarHBondContact O-CA 3.26Å; M316-T366 PolarHBondContact N-O 3.44Å; M316-T366 PolarHBondContact O-N 3.48Å
367F95.4Very high93.1Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-101140.1176.3-172.1-113.2000110.1V268 G269 M293 W294 M299 Y310 A313V268-F367 VanDerWaalsContact CA-O 3.26Å; V268-F367 WeakPolarHBondContact CA-O 3.14Å; G269-F367 PolarHBondContact N-O 3.41Å; G269-F367 PolarHBondContact O-N 2.97Å; M293-F367 HydrophobicContact CG-CB 3.5Å; M293-F367 VanDerWaalsContact CG-CB 3.5Å; M293-F367 HydrophobicContact CG-CD2 3.6Å; M293-F367 HydrophobicContact CG-CG 3.86Å; M293-F367 HydrophobicContact SD-CB 4.33Å; M293-F367 HydrophobicContact SD-CD2 3.8Å; W294-F367 HydrophobicContact CD2-CE2 4.11Å; W294-F367 AromaticContact CE2-CE2 3.95Å; W294-F367 AromaticContact CE3-CE2 3.96Å; W294-F367 HydrophobicContact CE3-CE2 3.96Å; W294-F367 HydrophobicContact CE3-CZ 4.04Å; W294-F367 AromaticContact CH2-CE2 3.49Å; W294-F367 HydrophobicContact CH2-CE2 3.49Å; W294-F367 VanDerWaalsContact CH2-CE2 3.49Å; W294-F367 AromaticContact CH2-CZ 3.9Å; W294-F367 HydrophobicContact CH2-CZ 3.9Å; W294-F367 AromaticContact CZ2-CE2 3.68Å; W294-F367 HydrophobicContact CZ2-CE2 3.68Å; W294-F367 HydrophobicContact CZ2-CZ 4.5Å; W294-F367 AromaticContact CZ3-CE2 3.65Å; W294-F367 HydrophobicContact CZ3-CE2 3.65Å; W294-F367 AromaticContact CZ3-CZ 3.65Å; W294-F367 HydrophobicContact CZ3-CZ 3.65Å; M299-F367 HydrophobicContact CE-CD1 3.5Å; M299-F367 HydrophobicContact CE-CE1 3.47Å; M299-F367 VanDerWaalsContact CE-CE1 3.47Å; M299-F367 HydrophobicContact CE-CG 4.2Å; M299-F367 HydrophobicContact CE-CZ 4.17Å; M299-F367 HydrophobicContact SD-CD1 3.42Å; M299-F367 WeakPolarHBondContact SD-CD1 3.31Å; M299-F367 HydrophobicContact SD-CE1 3.79Å; M299-F367 HydrophobicContact SD-CG 4.34Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 AromaticContact CE1-CE1 3.8Å; Y310-F367 HydrophobicContact CE1-CE1 3.8Å; Y310-F367 AromaticContact CE1-CZ 3.56Å; Y310-F367 HydrophobicContact CE1-CZ 3.56Å; Y310-F367 AromaticContact CZ-CZ 3.86Å; A313-F367 HydrophobicContact CB-CE2 3.83Å; A313-F367 HydrophobicContact CB-CZ 4Å
368I95.2Very high93.5Very high0 Ų024.3 Ų24.30%014%0.142CC..EExtended strand (participates in β ladder)trans-133.6117.2165.1-49.9178.4000106.1M200 V236 L253 L257 F266 V268 A313 S314 M316M200-I368 HydrophobicContact CE-CD1 4.1Å; M200-I368 HydrophobicContact CE-CG2 4.21Å; M200-I368 HydrophobicContact SD-CD1 4.44Å; M200-I368 HydrophobicContact SD-CG2 4.01Å; V236-I368 HydrophobicContact CB-CD1 4.32Å; V236-I368 HydrophobicContact CG1-CD1 3.9Å; V236-I368 HydrophobicContact CG2-CD1 3.83Å; V236-I368 HydrophobicContact CG2-CG1 4.1Å; L253-I368 HydrophobicContact CD1-CD1 4.35Å; L253-I368 HydrophobicContact CD2-CD1 4.31Å; L257-I368 HydrophobicContact CD1-CB 4.26Å; L257-I368 HydrophobicContact CD1-CG2 3.67Å; F266-I368 HydrophobicContact CB-CG2 3.64Å; F266-I368 HydrophobicContact CD1-CG2 4.18Å; F266-I368 HydrophobicContact CD2-CG2 4.21Å; F266-I368 HydrophobicContact CG-CG2 3.75Å; V268-I368 HydrophobicContact CG1-CG1 4.44Å; V268-I368 HydrophobicContact CG1-CG2 4.49Å; A313-I368 CarbonylContact C-O 3.47Å; A313-I368 VanDerWaalsContact CA-O 3.28Å; A313-I368 WeakPolarHBondContact CA-O 3.29Å; S314-I368 PolarHBondContact N-O 2.94Å; S314-I368 PolarHBondContact O-N 3.24Å; M316-I368 HydrophobicContact CE-CD1 3.48Å; M316-I368 VanDerWaalsContact CE-CD1 3.48Å; M316-I368 HydrophobicContact SD-CD1 4.18Å
369G94.5Very high93.7Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-124.7126.4179.400000110.9M267M267-G369 PolarHBondContact N-O 3.06Å; M267-G369 PolarHBondContact O-N 3.1Å
370N95.7Very high94Very high0 Ų025.8 Ų25.80%014%0.136CC..EExtended strand (participates in β ladder)trans-86.2106.6164.3-166.3-14.5000107.8L257 L263 F266 Y310 L311 T312L257-N370 PolarHBondContact O-ND2 3.4Å; L263-N370 PolarHBondContact O-ND2 2.92Å; L263-N370 PolarHBondContact O-OD1 3.14Å; F266-N370 HydrophobicContact CD1-CB 3.86Å; F266-N370 HydrophobicContact CE1-CB 3.89Å; Y310-N370 CarbonylContact C-O 3.22Å; Y310-N370 WeakPolarHBondContact CA-O 3.27Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.4Å; T312-N370 PolarHBondContact N-O 3.35Å; T312-N370 PolarHBondContact O-N 3.46Å; T312-N370 VanDerWaalsContact OG1-CB 3.26Å; T312-N370 WeakPolarHBondContact OG1-CB 3.29Å
371S95.6Very high94.4Very high0 Ų022 Ų220%010%0.096CC..EExtended strand (participates in β ladder)trans-130.8136.7-175.8-171.40000111.5R309 S373 I374R309-S371 CarbonylContact O-C 3.14Å; R309-S371 VanDerWaalsContact O-CA 3.29Å; R309-S371 WeakPolarHBondContact O-CA 3.3Å; R309-S371 PolarHBondContact O-OG 3.34Å; R309-S371 VanDerWaalsContact O-OG 3.07Å; S371-S373 PolarHBondContact O-N 3.07Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S371-S373 PolarHBondContact OG-N 2.76Å; S371-S373 PolarHBondContact OG-OG 3.05Å; S371-S373 VanDerWaalsContact OG-OG 3.1Å; S371-I374 WeakPolarHBondContact O-CB 3.38Å; S371-I374 WeakPolarHBondContact O-CG2 3.35Å; S371-I374 PolarHBondContact O-N 3.23Å; S371-I374 VanDerWaalsContact O-N 3.1Å
372T96.1Very high94.7Very high0 Ų019.9 Ų19.90%09%0.086CC..G310 helixtrans-62.8-19.5175.169.20000112.6G308 R309 L311 I374 Q375 Y422 Q426G308-T372 WeakPolarHBondContact CA-OG1 3.49Å; R309-T372 PolarHBondContact N-OG1 3.15Å; R309-T372 PolarHBondContact O-N 3.02Å; R309-T372 PolarHBondContact O-OG1 3.23Å; L311-T372 HydrophobicContact CD1-CG2 4.48Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.15Å; T372-I374 PolarHBondContact O-N 3.16Å; T372-I374 VanDerWaalsContact O-N 3.15Å; T372-Q375 WeakPolarHBondContact O-CB 3.42Å; T372-Q375 WeakPolarHBondContact O-CG 3.37Å; T372-Q375 PolarHBondContact O-N 2.82Å; T372-Q375 PolarHBondContact O-NE2 2.85Å; T372-Y422 HydrophobicContact CG2-CD1 4.25Å; T372-Q426 HydrophobicContact CG2-CB 3.92Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.4Å; T372-Q426 PolarHBondContact OG1-OE1 3.46Å
373S95.6Very high94.9Very high0 Ų017.7 Ų17.70%08%0.079CC..G310 helixtrans-62.7-19.9174.9630000112.8M267 A303 D304 S371 Q375 E376M267-S373 PolarHBondContact SD-OG 3.47Å; M267-S373 VanDerWaalsContact SD-OG 3.4Å; A303-S373 VanDerWaalsContact CB-O 3.23Å; A303-S373 WeakPolarHBondContact CB-O 3.45Å; D304-S373 WeakPolarHBondContact O-CB 3.26Å; S371-S373 PolarHBondContact O-N 3.07Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S371-S373 PolarHBondContact OG-N 2.76Å; S371-S373 PolarHBondContact OG-OG 3.05Å; S371-S373 VanDerWaalsContact OG-OG 3.1Å; S373-Q375 PolarHBondContact O-N 3.01Å; S373-E376 WeakPolarHBondContact O-CB 3.48Å; S373-E376 WeakPolarHBondContact O-CG 3.23Å; S373-E376 PolarHBondContact O-N 3.36Å
374I95.9Very high94.9Very high0 Ų019.5 Ų19.50%09%0.087CC..G310 helixtrans-57.3-21.8177.2-157.6157.9000112.8V201 F265 M267 S371 T372 E376 M377 F378 Y422V201-I374 HydrophobicContact CB-CD1 4.3Å; V201-I374 HydrophobicContact CG2-CD1 3.84Å; F265-I374 HydrophobicContact CB-CD1 3.59Å; F265-I374 WeakPolarHBondContact O-CD1 3.45Å; M267-I374 HydrophobicContact CG-CB 4.48Å; M267-I374 HydrophobicContact CG-CD1 4.07Å; M267-I374 HydrophobicContact CG-CG1 4.43Å; S371-I374 WeakPolarHBondContact O-CB 3.38Å; S371-I374 WeakPolarHBondContact O-CG2 3.35Å; S371-I374 PolarHBondContact O-N 3.23Å; S371-I374 VanDerWaalsContact O-N 3.1Å; T372-I374 PolarHBondContact O-N 3.16Å; T372-I374 VanDerWaalsContact O-N 3.15Å; I374-E376 PolarHBondContact O-N 2.79Å; I374-M377 HydrophobicContact CD1-CE 4.43Å; I374-M377 HydrophobicContact CG1-CE 3.71Å; I374-M377 WeakPolarHBondContact O-CB 3.43Å; I374-M377 PolarHBondContact O-N 3.47Å; I374-F378 HydrophobicContact CG1-CE2 4.36Å; I374-F378 HydrophobicContact CG2-CE2 4.03Å; I374-F378 PolarHBondContact O-N 2.97Å; I374-Y422 HydrophobicContact CG2-CD1 4.26Å; I374-Y422 HydrophobicContact CG2-CD2 4.2Å; I374-Y422 HydrophobicContact CG2-CE1 3.77Å; I374-Y422 HydrophobicContact CG2-CE2 3.73Å; I374-Y422 HydrophobicContact CG2-CG 4.45Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.48Å
375Q94.9Very high94.9Very high4 Ų419.5 Ų19.52%0.0199%0.087CC..Hα-helixtrans-56.4-27.3171.576.3-178.6-4300113.7T372 S373 M377 F378 R379 V419 Q423 Q426T372-Q375 WeakPolarHBondContact O-CB 3.42Å; T372-Q375 WeakPolarHBondContact O-CG 3.37Å; T372-Q375 PolarHBondContact O-N 2.82Å; T372-Q375 PolarHBondContact O-NE2 2.85Å; S373-Q375 PolarHBondContact O-N 3.01Å; Q375-M377 VanDerWaalsContact C-N 3.26Å; Q375-M377 PolarHBondContact O-N 3.29Å; Q375-F378 PolarHBondContact O-N 3.31Å; Q375-R379 WeakPolarHBondContact O-CB 3.29Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.33Å; Q375-R379 PolarHBondContact O-N 3.15Å; Q375-V419 HydrophobicContact CB-CG1 4.31Å; Q375-V419 HydrophobicContact CB-CG2 4.37Å; Q375-V419 PolarHBondContact OE1-O 3.3Å; Q375-Q423 VanDerWaalsContact NE2-OE1 3.16Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.15Å
376E94.5Very high95Very high58 Ų5820.7 Ų20.727%0.2719%0.094SC..Hα-helixtrans-61.1-38.6175.3-66.5-170.7142.700111.7A303 D304 H307 S373 I374 R380A303-E376 WeakPolarHBondContact CA-OE2 3.25Å; A303-E376 HydrophobicContact CB-CB 4.34Å; D304-E376 PolarHBondContact N-OE2 3.08Å; H307-E376 WeakPolarHBondContact CB-OE1 3.31Å; H307-E376 IonicContact CE1-OE1 2.58Å; H307-E376 IonicContact CG-OE1 3.55Å; H307-E376 IonicContact ND1-OE1 3.15Å; H307-E376 PolarHBondContact ND1-OE1 2.99Å; H307-E376 IonicContact ND1-OE2 3.92Å; S373-E376 WeakPolarHBondContact O-CB 3.48Å; S373-E376 WeakPolarHBondContact O-CG 3.23Å; S373-E376 PolarHBondContact O-N 3.36Å; I374-E376 PolarHBondContact O-N 2.79Å; E376-R380 WeakPolarHBondContact O-CB 3.2Å; E376-R380 PolarHBondContact O-N 3.08Å
377M94.3Very high94.9Very high0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-69.6-41.4178.2174.2-79.8-52.700110.8F170 V201 I374 Q375 R380 V381F170-M377 HydrophobicContact CD1-CE 4.37Å; F170-M377 HydrophobicContact CD1-CG 4.45Å; F170-M377 HydrophobicContact CD1-SD 3.25Å; F170-M377 WeakPolarHBondContact CD1-SD 3.42Å; F170-M377 HydrophobicContact CE1-CE 3.9Å; F170-M377 HydrophobicContact CE1-SD 3.26Å; F170-M377 WeakPolarHBondContact CE1-SD 3.38Å; F170-M377 HydrophobicContact CG-SD 3.91Å; F170-M377 HydrophobicContact CZ-CE 4.02Å; F170-M377 HydrophobicContact CZ-SD 3.95Å; V201-M377 HydrophobicContact CG1-CE 4.17Å; I374-M377 HydrophobicContact CD1-CE 4.43Å; I374-M377 HydrophobicContact CG1-CE 3.71Å; I374-M377 WeakPolarHBondContact O-CB 3.43Å; I374-M377 PolarHBondContact O-N 3.47Å; Q375-M377 VanDerWaalsContact C-N 3.26Å; Q375-M377 PolarHBondContact O-N 3.29Å; M377-R380 PolarHBondContact O-N 3.36Å; M377-V381 WeakPolarHBondContact O-CG2 3.45Å; M377-V381 PolarHBondContact O-N 2.96Å
378F95.9Very high94.8Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-65-44173.1-64.2-52.7000112.5F170 V189 F265 I374 Q375 R380 V381 S382 M415 L418 V419 Y422F170-F378 HydrophobicContact CE1-CE1 4.2Å; F170-F378 HydrophobicContact CZ-CE1 4.23Å; V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 3.8Å; V189-F378 HydrophobicContact CG2-CD1 4.42Å; V189-F378 HydrophobicContact CG2-CE1 4.05Å; F265-F378 HydrophobicContact CB-CZ 4.16Å; F265-F378 HydrophobicContact CD1-CE1 4.33Å; F265-F378 AromaticContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD2-CE2 4.37Å; F265-F378 AromaticContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CE1-CE1 4.3Å; F265-F378 AromaticContact CE1-CZ 3.99Å; F265-F378 HydrophobicContact CE1-CZ 3.99Å; F265-F378 HydrophobicContact CE2-CZ 4.14Å; F265-F378 HydrophobicContact CG-CE2 4.34Å; F265-F378 AromaticContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CZ-CZ 4.21Å; I374-F378 HydrophobicContact CG1-CE2 4.36Å; I374-F378 HydrophobicContact CG2-CE2 4.03Å; I374-F378 PolarHBondContact O-N 2.97Å; Q375-F378 PolarHBondContact O-N 3.31Å; F378-R380 VanDerWaalsContact C-N 3.31Å; F378-R380 PolarHBondContact O-N 2.76Å; F378-V381 PolarHBondContact O-N 3.27Å; F378-S382 WeakPolarHBondContact O-CB 3.32Å; F378-S382 PolarHBondContact O-N 3.11Å; F378-M415 HydrophobicContact CB-CG 4.19Å; F378-M415 HydrophobicContact CB-SD 4.4Å; F378-L418 HydrophobicContact CD2-CD2 4.08Å; F378-L418 HydrophobicContact CE1-CD2 4.26Å; F378-L418 HydrophobicContact CE2-CD2 3.68Å; F378-L418 HydrophobicContact CE2-CG 4.43Å; F378-L418 HydrophobicContact CZ-CD2 3.77Å; F378-V419 HydrophobicContact CB-CG2 3.61Å; F378-Y422 HydrophobicContact CD2-CE2 4.49Å; F378-Y422 HydrophobicContact CE2-CD2 4.46Å; F378-Y422 AromaticContact CE2-CE2 3.9Å; F378-Y422 HydrophobicContact CE2-CE2 3.9Å
379R95.1Very high94.8Very high97 Ų9726.3 Ų26.337%0.36613%0.129SC..Hα-helixtrans-58.6-42.2175-74175.5-173.8170.92.7111.4Q375 V381 S382 E383 V419Q375-R379 WeakPolarHBondContact O-CB 3.29Å; Q375-R379 VanDerWaalsContact O-CG 3.27Å; Q375-R379 WeakPolarHBondContact O-CG 3.33Å; Q375-R379 PolarHBondContact O-N 3.15Å; R379-V381 PolarHBondContact O-N 3.24Å; R379-S382 PolarHBondContact O-N 2.75Å; R379-E383 WeakPolarHBondContact O-CB 3.43Å; R379-E383 VanDerWaalsContact O-CG 3.32Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.15Å; R379-V419 HydrophobicContact CG-CG1 3.89Å; R379-V419 HydrophobicContact CG-CG2 4.23Å; R379-V419 VanDerWaalsContact NE-CG1 3.32Å
380R93.7Very high94.8Very high38 Ų3836.2 Ų36.214%0.14317%0.167CC..Hα-helixtrans-59.1-44.6175.9-176.1-173.767-164.1-12.2112D203 E205 E376 M377 F378 Q384D203-R380 IonicContact OD1-CZ 2.81Å; D203-R380 IonicContact OD1-NH1 3.11Å; D203-R380 IonicContact OD1-NH2 2.95Å; D203-R380 PolarHBondContact OD1-NH2 2.81Å; D203-R380 IonicContact OD2-CZ 2.98Å; D203-R380 VanDerWaalsContact OD2-CZ 3.28Å; D203-R380 IonicContact OD2-NH1 3.51Å; D203-R380 PolarHBondContact OD2-NH1 3.04Å; D203-R380 IonicContact OD2-NH2 3.53Å; D203-R380 PolarHBondContact OD2-NH2 2.8Å; E205-R380 IonicContact OE2-CZ 3.26Å; E205-R380 IonicContact OE2-NH1 3.29Å; E205-R380 PolarHBondContact OE2-NH1 3.28Å; E376-R380 WeakPolarHBondContact O-CB 3.2Å; E376-R380 PolarHBondContact O-N 3.08Å; M377-R380 PolarHBondContact O-N 3.36Å; F378-R380 VanDerWaalsContact C-N 3.31Å; F378-R380 PolarHBondContact O-N 2.76Å; R380-Q384 WeakPolarHBondContact O-CG 3.46Å; R380-Q384 PolarHBondContact O-N 3.03Å
381V93.7Very high94.8Very high4 Ų446.2 Ų46.22%0.02420%0.204CC..Hα-helixtrans-66.8-45.4177175.60000110.3A185 M377 F378 R379 E383 Q384 F385 M415A185-V381 HydrophobicContact CB-CG1 3.74Å; M377-V381 WeakPolarHBondContact O-CG2 3.45Å; M377-V381 PolarHBondContact O-N 2.96Å; F378-V381 PolarHBondContact O-N 3.27Å; R379-V381 PolarHBondContact O-N 3.24Å; V381-E383 PolarHBondContact O-N 3.31Å; V381-Q384 PolarHBondContact O-N 3.15Å; V381-F385 WeakPolarHBondContact O-CB 3.49Å; V381-F385 PolarHBondContact O-N 3.21Å; V381-M415 HydrophobicContact CB-SD 4.4Å; V381-M415 HydrophobicContact CG1-CE 4.49Å; V381-M415 HydrophobicContact CG1-SD 4.28Å
382S94.4Very high94.7Very high9 Ų952 Ų526%0.06323%0.23CC..Hα-helixtrans-56.8-49.4177.5-166.10000112.2F378 R379 Q384 F385 T386 M415 N416F378-S382 WeakPolarHBondContact O-CB 3.32Å; F378-S382 PolarHBondContact O-N 3.11Å; R379-S382 PolarHBondContact O-N 2.75Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 2.85Å; S382-F385 WeakPolarHBondContact O-CB 3.4Å; S382-F385 PolarHBondContact O-N 3.14Å; S382-T386 WeakPolarHBondContact O-CB 3.47Å; S382-T386 PolarHBondContact O-N 2.92Å; S382-T386 PolarHBondContact O-OG1 3.26Å; S382-M415 VanDerWaalsContact CA-CE 3.46Å; S382-M415 VanDerWaalsContact CB-CE 3.47Å; S382-N416 PolarHBondContact OG-OD1 3.35Å
383E94.5Very high94.6Very high140 Ų14053.4 Ų53.465%0.65424%0.241SC*.Hα-helixtrans-59.2-41.8179.6-75.2176.2-17700112.8R379 V381 A387R379-E383 WeakPolarHBondContact O-CB 3.43Å; R379-E383 VanDerWaalsContact O-CG 3.32Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.15Å; V381-E383 PolarHBondContact O-N 3.31Å; E383-A387 WeakPolarHBondContact O-CB 3.43Å; E383-A387 PolarHBondContact O-N 3.08Å; E383-A387 VanDerWaalsContact O-N 3.09Å
384Q93.5Very high94.5Very high58 Ų5856.7 Ų56.727%0.27126%0.255SS..Hα-helixtrans-68.9-43.6177.9-68.4172.35.800111.2P182 R380 V381 S382 A387 M388P182-Q384 HydrophobicContact CB-CB 3.91Å; P182-Q384 HydrophobicContact CG-CB 3.75Å; R380-Q384 WeakPolarHBondContact O-CG 3.46Å; R380-Q384 PolarHBondContact O-N 3.03Å; V381-Q384 PolarHBondContact O-N 3.15Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 2.85Å; Q384-A387 PolarHBondContact O-N 2.98Å; Q384-M388 WeakPolarHBondContact O-CG 3.11Å; Q384-M388 PolarHBondContact O-N 3.27Å; Q384-M388 VanDerWaalsContact O-N 3.17Å
385F95Very high94.4Very high0 Ų057.1 Ų57.10%026%0.258CS..Hα-helixtrans-55.6-55.7173.5175.2-79.8000110.8P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.35Å; 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 3.47Å; Y183-F385 HydrophobicContact CD1-CE2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.47Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.3Å; Y183-F385 HydrophobicContact CE1-CD2 4.03Å; Y183-F385 AromaticContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CZ 4.42Å; T186-F385 HydrophobicContact CG2-CD2 3.78Å; T186-F385 HydrophobicContact CG2-CE2 3.73Å; T186-F385 HydrophobicContact CG2-CG 4.37Å; T186-F385 HydrophobicContact CG2-CZ 4.33Å; T186-F385 WeakPolarHBondContact OG1-CD2 2.99Å; V381-F385 WeakPolarHBondContact O-CB 3.49Å; V381-F385 PolarHBondContact O-N 3.21Å; S382-F385 WeakPolarHBondContact O-CB 3.4Å; S382-F385 PolarHBondContact O-N 3.14Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.61Å; F385-M388 PolarHBondContact O-N 2.81Å; F385-F389 HydrophobicContact CD1-CB 4.25Å; F385-F389 HydrophobicContact CE1-CB 3.92Å; F385-F389 HydrophobicContact CE1-CD2 4.3Å; F385-F389 HydrophobicContact CE1-CG 4Å; F385-F389 HydrophobicContact CZ-CB 4.49Å; F385-F389 HydrophobicContact CZ-CD2 4.18Å; F385-F389 HydrophobicContact CZ-CG 4.34Å; F385-F389 WeakPolarHBondContact O-CB 3.5Å; F385-F389 PolarHBondContact O-N 3.33Å; F385-F408 AromaticContact CE2-CD1 3.8Å; F385-F408 HydrophobicContact CE2-CD1 3.8Å; 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 3.39Å; F385-E412 HydrophobicContact CD1-CB 4.15Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.32Å; F385-E412 HydrophobicContact CE1-CB 3.6Å; F385-E412 VanDerWaalsContact CE1-CD 3.43Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.07Å
386T95.5Very high94.4Very high26 Ų2662.9 Ų62.916%0.1628%0.284CS..Hα-helixtrans-58.6-40.8-177.8-54.70000111.1S382 M388 F389 R390 E412S382-T386 WeakPolarHBondContact O-CB 3.47Å; S382-T386 PolarHBondContact O-N 2.92Å; S382-T386 PolarHBondContact O-OG1 3.26Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 3.19Å; T386-F389 PolarHBondContact O-N 2.95Å; T386-R390 HydrophobicContact CG2-CG 4.19Å; T386-R390 VanDerWaalsContact CG2-NE 3.3Å; T386-R390 WeakPolarHBondContact O-CB 3.46Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.37Å; T386-R390 PolarHBondContact O-N 3.03Å; T386-E412 WeakPolarHBondContact CB-OE1 3.47Å; T386-E412 PolarHBondContact OG1-OE1 3.4Å
387A93.8Very high94.4Very high54 Ų5465.6 Ų65.645%0.44629%0.292SS..Hα-helixtrans-62.5-37.7178.600000112.7E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.43Å; E383-A387 PolarHBondContact O-N 3.08Å; E383-A387 VanDerWaalsContact O-N 3.09Å; Q384-A387 PolarHBondContact O-N 2.98Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.61Å
388M94Very high94.5Very high30 Ų3065.6 Ų65.615%0.14829%0.292CS..Hα-helixtrans-75.2-46.7175.5-68.5-178.362.800112V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.47Å; P182-M388 HydrophobicContact CB-SD 4.23Å; P182-M388 HydrophobicContact CG-SD 3.87Å; Y183-M388 HydrophobicContact CD2-CE 4.12Å; Y183-M388 HydrophobicContact CE1-CB 4.11Å; Y183-M388 HydrophobicContact CE2-CB 4.45Å; Y183-M388 HydrophobicContact CE2-CE 3.79Å; Y183-M388 PolarHBondContact OH-O 3.04Å; Q384-M388 WeakPolarHBondContact O-CG 3.11Å; Q384-M388 PolarHBondContact O-N 3.27Å; Q384-M388 VanDerWaalsContact O-N 3.17Å; F385-M388 PolarHBondContact O-N 2.81Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 3.19Å; M388-R390 PolarHBondContact O-N 2.95Å; M388-R391 PolarHBondContact O-N 3.46Å; M388-R391 VanDerWaalsContact O-N 3.08Å; M388-K392 PolarHBondContact O-N 2.98Å; M388-A393 PolarHBondContact O-N 3.36Å; M388-A393 VanDerWaalsContact O-N 3.14Å; M388-F394 HydrophobicContact CE-CD2 3.86Å; M388-F394 HydrophobicContact CE-CE2 4.44Å
389F94.9Very high94.5Very high34 Ų3468.4 Ų68.415%0.14931%0.309CS..Hα-helixtrans-62.1-44-175.7-167.2-107.4000111.7Y183 F385 T386 R391 K392 L395 E405 F408Y183-F389 HydrophobicContact CE1-CB 4.14Å; Y183-F389 HydrophobicContact CE1-CD2 4.17Å; Y183-F389 WeakPolarHBondContact OH-CA 3.43Å; Y183-F389 PolarHBondContact OH-N 3.04Å; F385-F389 HydrophobicContact CD1-CB 4.25Å; F385-F389 HydrophobicContact CE1-CB 3.92Å; F385-F389 HydrophobicContact CE1-CD2 4.3Å; F385-F389 HydrophobicContact CE1-CG 4Å; F385-F389 HydrophobicContact CZ-CB 4.49Å; F385-F389 HydrophobicContact CZ-CD2 4.18Å; F385-F389 HydrophobicContact CZ-CG 4.34Å; F385-F389 WeakPolarHBondContact O-CB 3.5Å; F385-F389 PolarHBondContact O-N 3.33Å; T386-F389 PolarHBondContact O-N 2.95Å; F389-R391 PolarHBondContact O-N 2.9Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.49Å; F389-K392 PolarHBondContact O-N 3.04Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.74Å; F389-L395 HydrophobicContact CD2-CG 4.48Å; F389-L395 HydrophobicContact CE2-CD1 3.87Å; F389-L395 HydrophobicContact CE2-CD2 3.87Å; F389-E405 HydrophobicContact CE2-CG 4.37Å; F389-E405 HydrophobicContact CZ-CG 4.17Å; F389-F408 HydrophobicContact CD2-CB 4.11Å; F389-F408 HydrophobicContact CD2-CD1 4.37Å; F389-F408 HydrophobicContact CD2-CG 4.33Å; F389-F408 HydrophobicContact CE2-CB 3.46Å; F389-F408 VanDerWaalsContact CE2-CB 3.46Å; F389-F408 HydrophobicContact CE2-CD1 4.32Å; F389-F408 HydrophobicContact CE2-CD2 4.41Å; F389-F408 AromaticContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CZ-CB 3.99Å
390R94.6Very high94.5Very high208 Ų20866.8 Ų66.879%0.78532%0.323SS*.THydrogen-bonded Turntrans-56.4-30.2175.2-76.7177.6-178.7174.66.6113.6T386 M388T386-R390 HydrophobicContact CG2-CG 4.19Å; T386-R390 VanDerWaalsContact CG2-NE 3.3Å; T386-R390 WeakPolarHBondContact O-CB 3.46Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.37Å; T386-R390 PolarHBondContact O-N 3.03Å; M388-R390 PolarHBondContact O-N 2.95Å
391R95.1Very high94.6Very high210 Ų21067.7 Ų67.779%0.79233%0.329SS*.THydrogen-bonded Turntrans-91.8-1178.3-64.2178.9-179.1177.72.7112.7M388 F389 A393M388-R391 PolarHBondContact O-N 3.46Å; M388-R391 VanDerWaalsContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 2.9Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 3.08Å; R391-A393 VanDerWaalsContact O-N 3.15Å
392K94.2Very high94.5Very high122 Ų12270.5 Ų70.553%0.5336%0.359SS..THydrogen-bonded Turntrans50.132.4-169.5-58.8-163.3174.8-127.90112.6M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 2.98Å; F389-K392 WeakPolarHBondContact O-CA 3.49Å; F389-K392 PolarHBondContact O-N 3.04Å; K392-F394 PolarHBondContact O-N 3.46Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.35Å; K392-L395 HydrophobicContact CD-CD1 4.39Å; K392-L395 HydrophobicContact CG-CD1 3.82Å; K392-E405 IonicContact NZ-OE1 2.74Å; K392-E405 PolarHBondContact NZ-OE1 3.41Å; K392-E405 IonicContact NZ-OE2 3.69Å; K392-E405 PolarHBondContact NZ-OE2 2.85Å
393A93.3Very high94.6Very high29 Ų2970.4 Ų70.424%0.2436%0.357CS..THydrogen-bonded Turntrans-67129.3-177.500000109Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.34Å; Y183-A393 PolarHBondContact OH-O 3.24Å; M388-A393 PolarHBondContact O-N 3.36Å; M388-A393 VanDerWaalsContact O-N 3.14Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 3.08Å; R391-A393 VanDerWaalsContact O-N 3.15Å; A393-L395 PolarHBondContact O-N 3.14Å
394F94.2Very high94.6Very high69 Ų6967.5 Ų67.530%0.30335%0.347SS..THydrogen-bonded Turntrans57.64177.5-49.3-76000117V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.2Å; V179-F394 HydrophobicContact CG2-CD2 4.16Å; V179-F394 HydrophobicContact CG2-CE1 4.24Å; V179-F394 HydrophobicContact CG2-CE2 3.66Å; V179-F394 HydrophobicContact CG2-CZ 3.71Å; V180-F394 HydrophobicContact CG1-CB 3.86Å; V180-F394 HydrophobicContact CG1-CD2 4.19Å; V180-F394 HydrophobicContact CG1-CG 3.99Å; M388-F394 HydrophobicContact CE-CD2 3.86Å; M388-F394 HydrophobicContact CE-CE2 4.44Å; K392-F394 PolarHBondContact O-N 3.46Å; F394-H396 PolarHBondContact O-N 3.05Å; F394-W397 HydrophobicContact CB-CD2 4.28Å; F394-W397 HydrophobicContact CB-CE3 4.34Å; F394-W397 HydrophobicContact CD1-CD2 4.07Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.69Å; F394-W397 HydrophobicContact CD1-CH2 3.69Å; F394-W397 AromaticContact CD1-CZ2 3.65Å; F394-W397 HydrophobicContact CD1-CZ2 3.65Å; F394-W397 AromaticContact CD1-CZ3 3.91Å; F394-W397 HydrophobicContact CD1-CZ3 3.91Å; F394-W397 AromaticContact CE1-CH2 3.87Å; F394-W397 HydrophobicContact CE1-CH2 3.87Å; F394-W397 AromaticContact CE1-CZ2 3.97Å; F394-W397 HydrophobicContact CE1-CZ2 3.97Å; F394-W397 HydrophobicContact CE1-CZ3 4.4Å; F394-W397 VanDerWaalsContact O-CB 3.3Å; F394-W397 WeakPolarHBondContact O-CB 3.5Å; F394-W397 PolarHBondContact O-N 3.36Å
395L93.7Very high94.6Very high10 Ų1068.3 Ų68.35%0.05235%0.35CS..Hα-helixtrans-55.8-38.9-178.1-70.6-175.5000113.2Y183 F389 K392 A393 W397 Y398 T399 F408Y183-L395 HydrophobicContact CE1-CD2 4.16Å; Y183-L395 HydrophobicContact CE2-CD2 3.95Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.22Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.74Å; F389-L395 HydrophobicContact CD2-CG 4.48Å; F389-L395 HydrophobicContact CE2-CD1 3.87Å; F389-L395 HydrophobicContact CE2-CD2 3.87Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.35Å; K392-L395 HydrophobicContact CD-CD1 4.39Å; K392-L395 HydrophobicContact CG-CD1 3.82Å; A393-L395 PolarHBondContact O-N 3.14Å; L395-W397 PolarHBondContact O-N 3.46Å; L395-Y398 PolarHBondContact O-N 2.81Å; L395-T399 PolarHBondContact O-N 3.24Å; L395-T399 PolarHBondContact O-OG1 3.42Å; L395-F408 HydrophobicContact CD2-CD1 4.36Å; L395-F408 HydrophobicContact CD2-CD2 4.49Å; L395-F408 HydrophobicContact CD2-CE1 4.11Å; L395-F408 HydrophobicContact CD2-CE2 4.23Å; L395-F408 HydrophobicContact CD2-CZ 4.04Å
396H93.9Very high94.6Very high124 Ų12473.9 Ų73.957%0.57438%0.378SS*.Hα-helixtrans-59.3-18.9177.467.8-73.9000114.3F394 Y398 T399 G400F394-H396 PolarHBondContact O-N 3.05Å; H396-Y398 VanDerWaalsContact C-N 3.34Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; H396-G400 WeakPolarHBondContact O-CA 3.49Å; H396-G400 PolarHBondContact O-N 3Å; H396-G400 VanDerWaalsContact O-N 3.08Å
397W95Very high94.7Very high116 Ų11674.7 Ų74.744%0.43938%0.38SS..Hα-helixtrans-73.2-29.3173.1-64.11.9000111.6N100 V180 F394 L395 E401N100-W397 PolarHBondContact ND2-O 3.44Å; V180-W397 HydrophobicContact CG1-CE3 4.16Å; V180-W397 HydrophobicContact CG1-CZ3 4.24Å; F394-W397 HydrophobicContact CB-CD2 4.28Å; F394-W397 HydrophobicContact CB-CE3 4.34Å; F394-W397 HydrophobicContact CD1-CD2 4.07Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.69Å; F394-W397 HydrophobicContact CD1-CH2 3.69Å; F394-W397 AromaticContact CD1-CZ2 3.65Å; F394-W397 HydrophobicContact CD1-CZ2 3.65Å; F394-W397 AromaticContact CD1-CZ3 3.91Å; F394-W397 HydrophobicContact CD1-CZ3 3.91Å; F394-W397 AromaticContact CE1-CH2 3.87Å; F394-W397 HydrophobicContact CE1-CH2 3.87Å; F394-W397 AromaticContact CE1-CZ2 3.97Å; F394-W397 HydrophobicContact CE1-CZ2 3.97Å; F394-W397 HydrophobicContact CE1-CZ3 4.4Å; F394-W397 VanDerWaalsContact O-CB 3.3Å; F394-W397 WeakPolarHBondContact O-CB 3.5Å; F394-W397 PolarHBondContact O-N 3.36Å; L395-W397 PolarHBondContact O-N 3.46Å; W397-E401 WeakPolarHBondContact O-CG 3.5Å
398Y97.2Very high94.8Very high0 Ų072.1 Ų72.10%036%0.359CS..Hα-helixtrans-89.5-48.3179.8-67.9-108.4000110.6N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.35Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.33Å; W101-Y398 HydrophobicContact CB-CE1 4.03Å; A102-Y398 HydrophobicContact CB-CD1 3.76Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; V180-Y398 HydrophobicContact CB-CE2 4.3Å; V180-Y398 VanDerWaalsContact CB-OH 3.31Å; V180-Y398 WeakPolarHBondContact CB-OH 3.48Å; V180-Y398 HydrophobicContact CG1-CE2 4.38Å; V180-Y398 PolarHBondContact O-OH 2.87Å; Y183-Y398 HydrophobicContact CD2-CD2 4.38Å; Y183-Y398 AromaticContact CD2-CE2 3.72Å; Y183-Y398 HydrophobicContact CD2-CE2 3.72Å; Y183-Y398 HydrophobicContact CG-CE2 4.45Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.42Å; N184-Y398 PolarHBondContact OD1-OH 3.01Å; L187-Y398 HydrophobicContact CD1-CD1 4.21Å; L187-Y398 HydrophobicContact CD1-CE1 4.14Å; L395-Y398 PolarHBondContact O-N 2.81Å; H396-Y398 VanDerWaalsContact C-N 3.34Å; Y398-G400 PolarHBondContact O-N 3.09Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.99Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.37Å; Y398-F408 HydrophobicContact CD1-CE1 4.32Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.12Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.39Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å
399T95.7Very high94.9Very high58 Ų5874.1 Ų74.136%0.35637%0.373SS..Hα-helixtrans-66.1-26.3178.166.40000112.2L395 H396 E401 G402 M403L395-T399 PolarHBondContact O-N 3.24Å; L395-T399 PolarHBondContact O-OG1 3.42Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; T399-E401 PolarHBondContact O-N 3.25Å; T399-G402 PolarHBondContact O-N 3.42Å; T399-G402 VanDerWaalsContact O-N 3.15Å; T399-M403 WeakPolarHBondContact CA-O 3.42Å
400G94.7Very high95Very high64 Ų6478 Ų7866%0.6639%0.391SS*.THydrogen-bonded Turntrans-65.1-22.4172.800000113.8H396 Y398 G402H396-G400 WeakPolarHBondContact O-CA 3.49Å; H396-G400 PolarHBondContact O-N 3Å; H396-G400 VanDerWaalsContact O-N 3.08Å; Y398-G400 PolarHBondContact O-N 3.09Å; G400-G402 VanDerWaalsContact C-N 3.33Å
401E94.9Very high95.1Very high57 Ų5768 Ų6827%0.26635%0.353SS..THydrogen-bonded Turntrans-90.52.9175.6-57.4-68.6151.300112.2A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.97Å; A102-E401 HydrophobicContact CB-CG 4.37Å; K103-E401 HydrophobicContact CB-CG 4.14Å; T107-E401 WeakPolarHBondContact CB-OE2 3.32Å; T107-E401 HydrophobicContact CG2-CB 4.15Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.19Å; T107-E401 PolarHBondContact OG1-OE2 2.94Å; W397-E401 WeakPolarHBondContact O-CG 3.5Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.99Å; T399-E401 PolarHBondContact O-N 3.25Å
402G93.2Very high95.1Very high63 Ų6359.5 Ų59.565%0.64932%0.322SS*.THydrogen-bonded Turntrans100.4-0.7176.900000115.7T399 G400T399-G402 PolarHBondContact O-N 3.42Å; T399-G402 VanDerWaalsContact O-N 3.15Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403M96Very high95.3Very high6 Ų656.5 Ų56.53%0.0332%0.317CS..  trans-69.8139.5176.8-175.7179.1173.500112.2W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.31Å; W101-M403 HydrophobicContact CZ3-SD 4.01Å; A102-M403 HydrophobicContact CB-CB 4.09Å; A102-M403 HydrophobicContact CB-SD 4.04Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.68Å; Y106-M403 HydrophobicContact CE2-CG 3.75Å; Y106-M403 HydrophobicContact CE2-SD 4.45Å; L187-M403 HydrophobicContact CD1-CE 3.62Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.14Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.37Å; T399-M403 WeakPolarHBondContact CA-O 3.42Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.49Å; M403-F408 HydrophobicContact CE-CD1 4.44Å; M403-F408 HydrophobicContact CE-CD2 3.62Å; M403-F408 HydrophobicContact CE-CE1 4.31Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.12Å; M403-F408 HydrophobicContact CE-CZ 3.83Å; M403-F408 HydrophobicContact CG-CE2 4.36Å; M403-F408 HydrophobicContact SD-CD2 4.36Å; M403-F408 HydrophobicContact SD-CE2 3.63Å; M403-F408 HydrophobicContact SD-CZ 3.86Å
404D95Very high95.5Very high80 Ų8056 Ų5643%0.42831%0.31SS..  trans-78.1143.6174.7-161.2-41.6000111.1M406 E407D404-M406 PolarHBondContact O-N 2.91Å; D404-M406 PolarHBondContact OD1-N 2.89Å; D404-M406 VanDerWaalsContact OD2-CE 3.3Å; D404-M406 WeakPolarHBondContact OD2-CE 3.41Å; D404-E407 HydrophobicContact CB-CG 4.24Å; D404-E407 PolarHBondContact N-OE1 2.75Å; D404-E407 PolarHBondContact O-N 3.37Å
405E93.2Very high95.6Very high74 Ų7452.8 Ų52.835%0.34630%0.296SS..Hα-helixtrans-64.8-25.9173.8-169.6174.3172.300111.5F389 K392 E407 F408F389-E405 HydrophobicContact CE2-CG 4.37Å; F389-E405 HydrophobicContact CZ-CG 4.17Å; K392-E405 IonicContact NZ-OE1 2.74Å; K392-E405 PolarHBondContact NZ-OE1 3.41Å; K392-E405 IonicContact NZ-OE2 3.69Å; K392-E405 PolarHBondContact NZ-OE2 2.85Å; E405-E407 VanDerWaalsContact C-N 3.33Å; E405-E407 PolarHBondContact O-N 2.92Å; E405-F408 WeakPolarHBondContact O-CB 3.41Å; E405-F408 PolarHBondContact O-N 3.05Å
406M95Very high95.7Very high117 Ų11755.2 Ų55.258%0.57631%0.309SS*.Hα-helixtrans-64.9-34.2177.2-67.8-171.9-67.400112.8D404 F408 T409 E410D404-M406 PolarHBondContact O-N 2.91Å; D404-M406 PolarHBondContact OD1-N 2.89Å; D404-M406 VanDerWaalsContact OD2-CE 3.3Å; D404-M406 WeakPolarHBondContact OD2-CE 3.41Å; M406-F408 PolarHBondContact O-N 3.14Å; M406-T409 WeakPolarHBondContact O-CA 3.3Å; M406-T409 WeakPolarHBondContact O-CB 3.45Å; M406-T409 PolarHBondContact O-N 3.48Å; M406-E410 PolarHBondContact O-N 3.17Å
407E96.3Very high95.9Very high44 Ų4452.9 Ų52.921%0.20630%0.301CS..Hα-helixtrans-60-33.8178.5-67.6175.1-121.300112.4Y106 M403 D404 E405 T409 E410 A411Y106-E407 PolarHBondContact OH-OE1 3.15Å; Y106-E407 VanDerWaalsContact OH-OE1 3.12Å; Y106-E407 PolarHBondContact OH-OE2 3.4Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.49Å; D404-E407 HydrophobicContact CB-CG 4.24Å; D404-E407 PolarHBondContact N-OE1 2.75Å; D404-E407 PolarHBondContact O-N 3.37Å; E405-E407 VanDerWaalsContact C-N 3.33Å; E405-E407 PolarHBondContact O-N 2.92Å; E407-T409 VanDerWaalsContact C-N 3.3Å; E407-T409 PolarHBondContact O-N 3.48Å; E407-E410 PolarHBondContact O-N 2.93Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.3Å; E407-A411 PolarHBondContact O-N 3.5Å
408F96.5Very high95.9Very high0 Ų047.4 Ų47.40%028%0.28CS..Hα-helixtrans-61.6-41.9173.1-77.2-85.2000111.9Y183 L187 F385 F389 L395 Y398 M403 E405 M406 E412Y183-F408 HydrophobicContact CD1-CD1 4.01Å; Y183-F408 AromaticContact CD1-CE1 3.77Å; Y183-F408 HydrophobicContact CD1-CE1 3.77Å; Y183-F408 HydrophobicContact CD2-CE1 4.31Å; Y183-F408 HydrophobicContact CE1-CD1 4.35Å; Y183-F408 HydrophobicContact CE1-CE1 4.27Å; Y183-F408 HydrophobicContact CG-CD1 4.49Å; Y183-F408 AromaticContact CG-CE1 3.81Å; Y183-F408 HydrophobicContact CG-CE1 3.81Å; L187-F408 HydrophobicContact CD1-CE1 4.03Å; L187-F408 HydrophobicContact CD1-CZ 4.38Å; F385-F408 AromaticContact CE2-CD1 3.8Å; F385-F408 HydrophobicContact CE2-CD1 3.8Å; 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 3.39Å; F389-F408 HydrophobicContact CD2-CB 4.11Å; F389-F408 HydrophobicContact CD2-CD1 4.37Å; F389-F408 HydrophobicContact CD2-CG 4.33Å; F389-F408 HydrophobicContact CE2-CB 3.46Å; F389-F408 VanDerWaalsContact CE2-CB 3.46Å; F389-F408 HydrophobicContact CE2-CD1 4.32Å; F389-F408 HydrophobicContact CE2-CD2 4.41Å; F389-F408 AromaticContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CZ-CB 3.99Å; L395-F408 HydrophobicContact CD2-CD1 4.36Å; L395-F408 HydrophobicContact CD2-CD2 4.49Å; L395-F408 HydrophobicContact CD2-CE1 4.11Å; L395-F408 HydrophobicContact CD2-CE2 4.23Å; L395-F408 HydrophobicContact CD2-CZ 4.04Å; Y398-F408 HydrophobicContact CD1-CE1 4.32Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.12Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.39Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å; M403-F408 HydrophobicContact CE-CD1 4.44Å; M403-F408 HydrophobicContact CE-CD2 3.62Å; M403-F408 HydrophobicContact CE-CE1 4.31Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.12Å; M403-F408 HydrophobicContact CE-CZ 3.83Å; M403-F408 HydrophobicContact CG-CE2 4.36Å; M403-F408 HydrophobicContact SD-CD2 4.36Å; M403-F408 HydrophobicContact SD-CE2 3.63Å; M403-F408 HydrophobicContact SD-CZ 3.86Å; E405-F408 WeakPolarHBondContact O-CB 3.41Å; E405-F408 PolarHBondContact O-N 3.05Å; M406-F408 PolarHBondContact O-N 3.14Å; F408-E412 WeakPolarHBondContact O-CB 3.49Å; F408-E412 PolarHBondContact O-N 2.89Å
409T95.5Very high95.9Very high72 Ų7248 Ų4844%0.44228%0.284SS..Hα-helixtrans-71.9-40-177.9-53.90000110.4M406 E407 E412 S413M406-T409 WeakPolarHBondContact O-CA 3.3Å; M406-T409 WeakPolarHBondContact O-CB 3.45Å; M406-T409 PolarHBondContact O-N 3.48Å; E407-T409 VanDerWaalsContact C-N 3.3Å; E407-T409 PolarHBondContact O-N 3.48Å; T409-E412 PolarHBondContact O-N 3.06Å; T409-S413 WeakPolarHBondContact O-CB 3.45Å; T409-S413 PolarHBondContact O-N 3.3Å
410E97Very high96Very high114 Ų11448.6 Ų48.653%0.53329%0.29SS..Hα-helixtrans-63.1-45.1174.9-69.8174.1-177.200111.5M406 E407 S413 N414M406-E410 PolarHBondContact O-N 3.17Å; E407-E410 PolarHBondContact O-N 2.93Å; E410-S413 PolarHBondContact O-N 3.08Å; E410-N414 WeakPolarHBondContact O-CB 3.48Å; E410-N414 PolarHBondContact O-N 3.26Å
411A96.8Very high96Very high0 Ų047.5 Ų47.50%027%0.268CS..Hα-helixtrans-65.2-40.9177.100000112.7T186 L187 H190 E407 M415T186-A411 HydrophobicContact CG2-CB 3.91Å; L187-A411 HydrophobicContact CD2-CB 3.79Å; H190-A411 HydrophobicContact CB-CB 3.7Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.3Å; E407-A411 PolarHBondContact O-N 3.5Å; A411-M415 WeakPolarHBondContact O-CB 3.33Å; A411-M415 PolarHBondContact O-N 3.03Å; A411-M415 VanDerWaalsContact O-N 3.09Å
412E96.8Very high96.1Very high30 Ų3044.8 Ų44.814%0.1426%0.255CS..Hα-helixtrans-63.1-44.3173.6-174.1178.8-144.800111.3F385 T386 F408 T409 M415 N416F385-E412 HydrophobicContact CD1-CB 4.15Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.32Å; F385-E412 HydrophobicContact CE1-CB 3.6Å; F385-E412 VanDerWaalsContact CE1-CD 3.43Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.07Å; T386-E412 WeakPolarHBondContact CB-OE1 3.47Å; T386-E412 PolarHBondContact OG1-OE1 3.4Å; F408-E412 WeakPolarHBondContact O-CB 3.49Å; F408-E412 PolarHBondContact O-N 2.89Å; T409-E412 PolarHBondContact O-N 3.06Å; E412-M415 PolarHBondContact O-N 3.48Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.43Å; E412-N416 PolarHBondContact O-ND2 3.49Å; E412-N416 VanDerWaalsContact O-ND2 3.1Å
413S97Very high96.2Very high59 Ų5944.1 Ų44.141%0.41324%0.235SC..Hα-helixtrans-59.6-51.9176.3-165.70000110.9T409 E410 M415 N416 D417T409-S413 WeakPolarHBondContact O-CB 3.45Å; T409-S413 PolarHBondContact O-N 3.3Å; E410-S413 PolarHBondContact O-N 3.08Å; S413-M415 VanDerWaalsContact C-N 3.26Å; S413-M415 PolarHBondContact O-N 2.77Å; S413-N416 CarbonylContact O-C 3.59Å; S413-N416 WeakPolarHBondContact O-CA 3.48Å; S413-N416 WeakPolarHBondContact O-CB 3.38Å; S413-N416 PolarHBondContact O-N 2.97Å; S413-D417 PolarHBondContact O-N 2.82Å
414N97.3Very high96.1Very high19 Ų1948.3 Ų48.310%0.10226%0.255CS..Hα-helixtrans-59-38.6-178.5-167.517.5000112.1H190 R262 E410 D417 L418H190-N414 PolarHBondContact ND1-ND2 2.99Å; H190-N414 VanDerWaalsContact ND1-ND2 3.14Å; R262-N414 PolarHBondContact NH2-OD1 2.82Å; E410-N414 WeakPolarHBondContact O-CB 3.48Å; E410-N414 PolarHBondContact O-N 3.26Å; N414-D417 PolarHBondContact O-N 2.84Å; N414-L418 WeakPolarHBondContact O-CB 3.46Å; N414-L418 PolarHBondContact O-N 3.23Å
415M96.5Very high96Very high1 Ų146.9 Ų46.91%0.00524%0.244CC..Hα-helixtrans-68.3-37.8175.3-176.6172.853.500112.5T186 F378 V381 S382 A411 E412 S413 V419T186-M415 HydrophobicContact CG2-CE 3.75Å; T186-M415 WeakPolarHBondContact OG1-CE 3.45Å; F378-M415 HydrophobicContact CB-CG 4.19Å; F378-M415 HydrophobicContact CB-SD 4.4Å; V381-M415 HydrophobicContact CB-SD 4.4Å; V381-M415 HydrophobicContact CG1-CE 4.49Å; V381-M415 HydrophobicContact CG1-SD 4.28Å; S382-M415 VanDerWaalsContact CA-CE 3.46Å; S382-M415 VanDerWaalsContact CB-CE 3.47Å; A411-M415 WeakPolarHBondContact O-CB 3.33Å; A411-M415 PolarHBondContact O-N 3.03Å; A411-M415 VanDerWaalsContact O-N 3.09Å; E412-M415 PolarHBondContact O-N 3.48Å; S413-M415 VanDerWaalsContact C-N 3.26Å; S413-M415 PolarHBondContact O-N 2.77Å; M415-V419 WeakPolarHBondContact O-CG2 3.49Å; M415-V419 PolarHBondContact O-N 3.06Å
416N96.5Very high95.9Very high61 Ų6145.1 Ų45.133%0.32624%0.236SC..Hα-helixtrans-69.9-35.6175.7-68.7-33000112.1S382 E412 S413 V419 S420S382-N416 PolarHBondContact OG-OD1 3.35Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.43Å; E412-N416 PolarHBondContact O-ND2 3.49Å; E412-N416 VanDerWaalsContact O-ND2 3.1Å; S413-N416 CarbonylContact O-C 3.59Å; S413-N416 WeakPolarHBondContact O-CA 3.48Å; S413-N416 WeakPolarHBondContact O-CB 3.38Å; S413-N416 PolarHBondContact O-N 2.97Å; N416-V419 PolarHBondContact O-N 3.34Å; N416-S420 PolarHBondContact O-N 3.06Å; N416-S420 PolarHBondContact O-OG 3.47Å
417D97Very high95.7Very high76 Ų7644.2 Ų44.241%0.40623%0.233SC..Hα-helixtrans-64.6-46.1173.9-63.6-27.6000109.8S413 N414 V419 S420 E421S413-D417 PolarHBondContact O-N 2.82Å; N414-D417 PolarHBondContact O-N 2.84Å; D417-V419 VanDerWaalsContact C-N 3.32Å; D417-V419 PolarHBondContact O-N 2.84Å; D417-S420 CarbonylContact O-C 3.57Å; D417-S420 WeakPolarHBondContact O-CA 3.29Å; D417-S420 WeakPolarHBondContact O-CB 3.17Å; D417-S420 PolarHBondContact O-N 3.1Å; D417-E421 WeakPolarHBondContact O-CG 3.19Å; D417-E421 PolarHBondContact O-N 3.22Å
418L96.6Very high95.2Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-56.4-43.6173.3-178.967.8000112.4V189 V193 R262 F265 F378 N414 S420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.49Å; V193-L418 HydrophobicContact CG2-CD2 3.85Å; R262-L418 HydrophobicContact CB-CD1 4.31Å; F265-L418 HydrophobicContact CD2-CD2 4.32Å; F265-L418 HydrophobicContact CE2-CD2 3.9Å; F378-L418 HydrophobicContact CD2-CD2 4.08Å; F378-L418 HydrophobicContact CE1-CD2 4.26Å; F378-L418 HydrophobicContact CE2-CD2 3.68Å; F378-L418 HydrophobicContact CE2-CG 4.43Å; F378-L418 HydrophobicContact CZ-CD2 3.77Å; N414-L418 WeakPolarHBondContact O-CB 3.46Å; N414-L418 PolarHBondContact O-N 3.23Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.83Å; L418-E421 PolarHBondContact O-N 3.33Å; L418-Y422 HydrophobicContact CD1-CD2 4.15Å; L418-Y422 HydrophobicContact CD1-CE2 3.81Å; L418-Y422 HydrophobicContact CD2-CE2 4.39Å; L418-Y422 HydrophobicContact CG-CD2 4.03Å; L418-Y422 HydrophobicContact CG-CE2 3.91Å; L418-Y422 VanDerWaalsContact O-CD2 3.28Å; L418-Y422 WeakPolarHBondContact O-CD2 3.5Å; L418-Y422 PolarHBondContact O-N 3.33Å
419V96.7Very high94.4Very high12 Ų1245.5 Ų45.57%0.07325%0.246CC..Hα-helixtrans-62-39174.8166.10000111.2Q375 F378 R379 M415 N416 D417 Q423Q375-V419 HydrophobicContact CB-CG1 4.31Å; Q375-V419 HydrophobicContact CB-CG2 4.37Å; Q375-V419 PolarHBondContact OE1-O 3.3Å; F378-V419 HydrophobicContact CB-CG2 3.61Å; R379-V419 HydrophobicContact CG-CG1 3.89Å; R379-V419 HydrophobicContact CG-CG2 4.23Å; R379-V419 VanDerWaalsContact NE-CG1 3.32Å; M415-V419 WeakPolarHBondContact O-CG2 3.49Å; M415-V419 PolarHBondContact O-N 3.06Å; N416-V419 PolarHBondContact O-N 3.34Å; D417-V419 VanDerWaalsContact C-N 3.32Å; D417-V419 PolarHBondContact O-N 2.84Å; V419-Q423 WeakPolarHBondContact O-CB 3.42Å; V419-Q423 PolarHBondContact O-N 3.39Å
420S96.5Very high93.2Very high71 Ų7144.5 Ų44.550%0.49725%0.245SC..Hα-helixtrans-68.9-40.1179.2-56.80000111.6N416 D417 L418 Q423 Q424N416-S420 PolarHBondContact O-N 3.06Å; N416-S420 PolarHBondContact O-OG 3.47Å; D417-S420 CarbonylContact O-C 3.57Å; D417-S420 WeakPolarHBondContact O-CA 3.29Å; D417-S420 WeakPolarHBondContact O-CB 3.17Å; D417-S420 PolarHBondContact O-N 3.1Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.83Å; S420-Q423 WeakPolarHBondContact O-CB 3.37Å; S420-Q423 PolarHBondContact O-N 2.99Å; S420-Q424 PolarHBondContact O-N 3.46Å
421E95.8Very high91.9Very high41 Ų4146.4 Ų46.419%0.19226%0.259CS..Hα-helixtrans-60.3-49.2172.9-71.3173.9-164.200111.2R262 L263 D417 L418 Q423 Q424 Y425R262-E421 WeakPolarHBondContact CB-OE2 3.38Å; R262-E421 VanDerWaalsContact CD-OE1 3.32Å; R262-E421 WeakPolarHBondContact CD-OE1 3.46Å; R262-E421 WeakPolarHBondContact CD-OE2 3.22Å; R262-E421 IonicContact CZ-OE1 3.43Å; R262-E421 IonicContact CZ-OE2 2.84Å; R262-E421 VanDerWaalsContact NE-CD 3.28Å; R262-E421 IonicContact NE-OE1 3.93Å; R262-E421 PolarHBondContact NE-OE1 2.67Å; R262-E421 IonicContact NE-OE2 2.96Å; R262-E421 PolarHBondContact NE-OE2 2.88Å; R262-E421 IonicContact NH1-OE1 2.71Å; R262-E421 PolarHBondContact NH1-OE1 2.85Å; R262-E421 IonicContact NH2-OE1 3.28Å; L263-E421 HydrophobicContact CD1-CB 4.32Å; D417-E421 WeakPolarHBondContact O-CG 3.19Å; D417-E421 PolarHBondContact O-N 3.22Å; L418-E421 PolarHBondContact O-N 3.33Å; E421-Q423 PolarHBondContact O-N 2.86Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.38Å; E421-Q424 VanDerWaalsContact O-N 3.15Å; E421-Y425 HydrophobicContact CB-CE2 4.5Å; E421-Y425 WeakPolarHBondContact O-CD2 3.36Å; E421-Y425 PolarHBondContact O-N 3.11Å
422Y96.5Very high89.9Confident0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-58-37.8175-86.5-64.7000112.6L263 T372 I374 F378 L418 Q426L263-Y422 WeakPolarHBondContact CA-OH 3.45Å; L263-Y422 HydrophobicContact CB-CE1 3.91Å; L263-Y422 HydrophobicContact CD2-CD1 4.05Å; L263-Y422 HydrophobicContact CD2-CE1 4.06Å; L263-Y422 HydrophobicContact CG-CD1 3.93Å; L263-Y422 HydrophobicContact CG-CE1 3.62Å; L263-Y422 HydrophobicContact CG-CE2 4.37Å; L263-Y422 HydrophobicContact CG-CG 4.46Å; T372-Y422 HydrophobicContact CG2-CD1 4.25Å; I374-Y422 HydrophobicContact CG2-CD1 4.26Å; I374-Y422 HydrophobicContact CG2-CD2 4.2Å; I374-Y422 HydrophobicContact CG2-CE1 3.77Å; I374-Y422 HydrophobicContact CG2-CE2 3.73Å; I374-Y422 HydrophobicContact CG2-CG 4.45Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.48Å; F378-Y422 HydrophobicContact CD2-CE2 4.49Å; F378-Y422 HydrophobicContact CE2-CD2 4.46Å; F378-Y422 AromaticContact CE2-CE2 3.9Å; F378-Y422 HydrophobicContact CE2-CE2 3.9Å; L418-Y422 HydrophobicContact CD1-CD2 4.15Å; L418-Y422 HydrophobicContact CD1-CE2 3.81Å; L418-Y422 HydrophobicContact CD2-CE2 4.39Å; L418-Y422 HydrophobicContact CG-CD2 4.03Å; L418-Y422 HydrophobicContact CG-CE2 3.91Å; L418-Y422 VanDerWaalsContact O-CD2 3.28Å; L418-Y422 WeakPolarHBondContact O-CD2 3.5Å; L418-Y422 PolarHBondContact O-N 3.33Å; Y422-Q426 WeakPolarHBondContact O-CB 3.46Å; Y422-Q426 PolarHBondContact O-N 3.46Å; Y422-Q426 VanDerWaalsContact O-N 3.09Å
423Q95.3Very high87.7Confident49 Ų4951.5 Ų51.523%0.22928%0.282CS..Hα-helixtrans-67.8-42.5176.5-172.662.760.400111.7Q375 V419 S420 E421 Q426 D427Q375-Q423 VanDerWaalsContact NE2-OE1 3.16Å; V419-Q423 WeakPolarHBondContact O-CB 3.42Å; V419-Q423 PolarHBondContact O-N 3.39Å; S420-Q423 WeakPolarHBondContact O-CB 3.37Å; S420-Q423 PolarHBondContact O-N 2.99Å; E421-Q423 PolarHBondContact O-N 2.86Å; Q423-Q426 WeakPolarHBondContact O-CB 3.46Å; Q423-Q426 PolarHBondContact O-N 3.02Å; Q423-D427 VanDerWaalsContact NE2-CG 3.34Å; Q423-D427 PolarHBondContact NE2-OD1 3.49Å; Q423-D427 PolarHBondContact NE2-OD2 2.95Å; Q423-D427 PolarHBondContact O-N 2.93Å; Q423-D427 VanDerWaalsContact O-N 3.14Å
424Q94.4Very high85.4Confident95 Ų9551.4 Ų51.444%0.44429%0.291SS..Hα-helixtrans-58.3-51.6176.8-178.8-180-4.600111.1S420 E421 Q426 D427 A428S420-Q424 PolarHBondContact O-N 3.46Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.38Å; E421-Q424 VanDerWaalsContact O-N 3.15Å; Q424-Q426 VanDerWaalsContact C-N 3.25Å; Q424-Q426 PolarHBondContact O-N 3.24Å; Q424-D427 PolarHBondContact O-N 2.93Å; Q424-D427 VanDerWaalsContact O-N 3.15Å; Q424-A428 PolarHBondContact O-N 3.34Å
425Y92.7Very high82.8Confident49 Ų4956.4 Ų56.419%0.19232%0.318CS..Hα-helixtrans-69.7-20.9179.3-67.2-63.6000114F260 L263 E421F260-Y425 HydrophobicContact CD1-CE1 4.14Å; F260-Y425 HydrophobicContact CD1-CE2 4.47Å; F260-Y425 AromaticContact CD1-CZ 3.77Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.4Å; F260-Y425 AromaticContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD2 4.08Å; F260-Y425 AromaticContact CD2-CE1 3.76Å; F260-Y425 HydrophobicContact CD2-CE1 3.76Å; F260-Y425 AromaticContact CD2-CE2 3.86Å; F260-Y425 HydrophobicContact CD2-CE2 3.86Å; F260-Y425 HydrophobicContact CD2-CG 4.13Å; F260-Y425 AromaticContact CD2-CZ 3.68Å; F260-Y425 AromaticContact CE1-CE1 3.66Å; F260-Y425 HydrophobicContact CE1-CE1 3.66Å; F260-Y425 AromaticContact CE1-CZ 3.75Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD2 4.29Å; F260-Y425 AromaticContact CE2-CE1 3.21Å; F260-Y425 HydrophobicContact CE2-CE1 3.21Å; F260-Y425 HydrophobicContact CE2-CE2 4.18Å; F260-Y425 AromaticContact CE2-CG 3.91Å; F260-Y425 HydrophobicContact CE2-CG 3.91Å; F260-Y425 AromaticContact CE2-CZ 3.65Å; F260-Y425 HydrophobicContact CG-CE1 4.19Å; F260-Y425 HydrophobicContact CG-CE2 4.02Å; F260-Y425 AromaticContact CG-CZ 3.74Å; F260-Y425 AromaticContact CZ-CD1 3.73Å; F260-Y425 HydrophobicContact CZ-CD1 3.73Å; F260-Y425 AromaticContact CZ-CE1 3.17Å; F260-Y425 HydrophobicContact CZ-CE1 3.17Å; F260-Y425 AromaticContact CZ-CZ 3.7Å; L263-Y425 HydrophobicContact CD1-CD2 4.4Å; L263-Y425 HydrophobicContact CD1-CE2 4.27Å; L263-Y425 HydrophobicContact CD2-CD2 3.41Å; L263-Y425 VanDerWaalsContact CD2-CD2 3.41Å; L263-Y425 HydrophobicContact CD2-CE2 3.94Å; L263-Y425 HydrophobicContact CD2-CG 4.14Å; E421-Y425 HydrophobicContact CB-CE2 4.5Å; E421-Y425 WeakPolarHBondContact O-CD2 3.36Å; E421-Y425 PolarHBondContact O-N 3.11Å
426Q91.6Very high80.6Confident37 Ų3760.7 Ų60.717%0.17333%0.334CS..Hα-helixtrans-70.3-38.5171.8-175.2-179.7-70.600112.1H307 G308 R309 T372 Q375 Y422 Q423 Q424H307-Q426 PolarHBondContact O-OE1 3.09Å; G308-Q426 VanDerWaalsContact CA-OE1 3.22Å; R309-Q426 HydrophobicContact CG-CG 4.16Å; T372-Q426 HydrophobicContact CG2-CB 3.92Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.4Å; T372-Q426 PolarHBondContact OG1-OE1 3.46Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.15Å; Y422-Q426 WeakPolarHBondContact O-CB 3.46Å; Y422-Q426 PolarHBondContact O-N 3.46Å; Y422-Q426 VanDerWaalsContact O-N 3.09Å; Q423-Q426 WeakPolarHBondContact O-CB 3.46Å; Q423-Q426 PolarHBondContact O-N 3.02Å; Q424-Q426 VanDerWaalsContact C-N 3.25Å; Q424-Q426 PolarHBondContact O-N 3.24Å
427D90.2Very high78.2Confident99 Ų9964.7 Ų64.753%0.52935%0.351SS..Hα-helixtrans-90.9-15.4-175.5-62.5-27.3000112.3Q423 Q424Q423-D427 VanDerWaalsContact NE2-CG 3.34Å; Q423-D427 PolarHBondContact NE2-OD1 3.49Å; Q423-D427 PolarHBondContact NE2-OD2 2.95Å; Q423-D427 PolarHBondContact O-N 2.93Å; Q423-D427 VanDerWaalsContact O-N 3.14Å; Q424-D427 PolarHBondContact O-N 2.93Å; Q424-D427 VanDerWaalsContact O-N 3.15Å
428A86.1Confident75.4Confident16 Ų1666.5 Ų66.513%0.13236%0.361CS..  trans-55.6135.3174.800000112.1W344 Q424W344-A428 PolarHBondContact NE1-O 2.71Å; Q424-A428 PolarHBondContact O-N 3.34Å
429T79Confident72.9Confident54 Ų5473.6 Ų73.633%0.33139%0.394SS..  trans-115.3158.8177.7630000110.5D431 E432T429-D431 PolarHBondContact O-N 2.56Å; T429-E432 PolarHBondContact O-N 3.35Å; T429-E432 VanDerWaalsContact O-N 3.08Å
430A71.7Confident70.4Confident51 Ų5179.1 Ų79.142%0.42142%0.419SS..THydrogen-bonded Turntrans-59.7-19.4-17800000114.3E343 W344E343-A430 HydrophobicContact CG-CB 4.25Å; E343-A430 PolarHBondContact OE1-N 3.14Å; W344-A430 HydrophobicContact CB-CB 4.45Å
431D68.1Low67.5Low154 Ų15481.5 Ų81.582%0.82442%0.422SS*.THydrogen-bonded Turntrans-81.1-17.2179.7-68.6-29.4000113.1T429T429-D431 PolarHBondContact O-N 2.56Å
432E55.6Low64.6Low89 Ų8981.4 Ų81.442%0.41643%0.433SS..THydrogen-bonded Turntrans-91.9-19.1-176.5-65.1178.7170.900113.4T429 G434 D435 Y436T429-E432 PolarHBondContact O-N 3.35Å; T429-E432 VanDerWaalsContact O-N 3.08Å; E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 3.15Å; E432-D435 PolarHBondContact O-N 3.37Å; E432-Y436 HydrophobicContact CB-CD2 4.46Å; E432-Y436 HydrophobicContact CB-CE2 3.68Å; E432-Y436 WeakPolarHBondContact O-CD2 3.36Å; E432-Y436 WeakPolarHBondContact O-CE2 3.38Å
433E51.1Low61.9Low48 Ų4889.1 Ų89.122%0.22447%0.469CS..G310 helixtrans-70.1-18-179.9-89.8-173.7170.100115.5D435 Y436 E437E433-D435 PolarHBondContact O-N 2.91Å; E433-Y436 HydrophobicContact CG-CD2 4.17Å; E433-Y436 PolarHBondContact O-N 3.12Å; E433-E437 PolarHBondContact O-N 3.35Å
434G47.8Very low59.3Low58 Ų5896.3 Ų96.360%0.59850%0.495SS*.G310 helixtrans-57.6-21170.400000113.4E432E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 3.15Å
435D43.9Very low56.6Low123 Ų12399.2 Ų99.266%0.65851%0.509SS*.G310 helixtrans-100.3-14.5177.1-67.6-31.5000113.3E432 E433E432-D435 PolarHBondContact O-N 3.37Å; E433-D435 PolarHBondContact O-N 2.91Å
436Y50.5Low54.1Low91 Ų91105.1 Ų105.136%0.35754%0.538SS..THydrogen-bonded Turntrans-94.5-29.7-174.4-63.7-59.7000114.2E432 E433 D438 E439E432-Y436 HydrophobicContact CB-CD2 4.46Å; E432-Y436 HydrophobicContact CB-CE2 3.68Å; E432-Y436 WeakPolarHBondContact O-CD2 3.36Å; E432-Y436 WeakPolarHBondContact O-CE2 3.38Å; E433-Y436 HydrophobicContact CG-CD2 4.17Å; E433-Y436 PolarHBondContact O-N 3.12Å; Y436-D438 PolarHBondContact O-N 3.44Å; Y436-E439 PolarHBondContact O-N 3.35Å
437E44.6Very low51.7Low145 Ų145112.1 Ų112.168%0.67857%0.571SS**Hα-helixtrans-64-28171.8-71.7-173.116400111.4E433 E441E433-E437 PolarHBondContact O-N 3.35Å; E437-E441 PolarHBondContact O-N 3.37Å
438D39.9Very low49.3Very low115 Ų115116.4 Ų116.462%0.61559%0.588SS**Hα-helixtrans-74.6-23.4179-78.8-17.9000113.6Y436 G442Y436-D438 PolarHBondContact O-N 3.44Å; D438-G442 PolarHBondContact O-N 3.42Å
439E42.7Very low46.8Very low148 Ų148123.6 Ų123.669%0.69262%0.619SS**Hα-helixtrans-78.2-34.1179.1-74.3-169.5166.900112.6Y436Y436-E439 PolarHBondContact O-N 3.35Å
440E43.9Very low45.1Very low129 Ų129135.9 Ų135.960%0.60366%0.661SS**Hα-helixtrans-86-32175.7-74.8-168.717400113.1G442 Y444E440-G442 PolarHBondContact O-N 3.43Å; E440-Y444 WeakPolarHBondContact O-CD2 3.3Å
441E36.6Very low43.8Very low120 Ų120140.1 Ų140.156%0.56167%0.673SS**Hα-helixtrans-69.5-21.8172.9-74.8-158.7171.300112.8E437 E443 Y444E437-E441 PolarHBondContact O-N 3.37Å; E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 2.71Å; E441-Y444 PolarHBondContact O-N 2.91Å
442G35.2Very low42.5Very low40 Ų40139.4 Ų139.441%0.41267%0.665SS.*Hα-helixtrans-67-26.7177.700000114.9D438 E440D438-G442 PolarHBondContact O-N 3.42Å; E440-G442 PolarHBondContact O-N 3.43Å
443E39.2Very low41.8Very low162 Ų162142.2 Ų142.276%0.75768%0.679SS**Hα-helixtrans-79.7-26.4178-72.6-163.4157.500112.7E441E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 2.71Å
444Y40.6Very low41.3Very low199 Ų199147.7 Ų147.778%0.7871%0.706SS**Hα-helixtrans-85.2-14.8-178.3-71.1-74.3000114.7E440 E441E440-Y444 WeakPolarHBondContact O-CD2 3.3Å; E441-Y444 PolarHBondContact O-N 2.91Å
445Q38.7Very low40.9Very low157 Ų157153.3 Ų153.373%0.73471%0.712SS**SBendtrans-91.7-7.5180-72.5-17323.700114.9
446Q39.3Very low40.7Very low173 Ų173155.3 Ų155.381%0.80872%0.716SS**SBendtrans-94-4-179.8-95.4-17854.500115.8
447E41.3Very low40Very low184 Ų184159.9 Ų159.986%0.8674%0.742SS**SBendtrans-96.12.6178.6-71.4-161.6153.800115.4
448E40.4Very low39.6Very low188 Ų188161.1 Ų161.188%0.87975%0.747SS**SBendtrans-111.844.1172.9-71-162.6168.200113.8
449E32.9Very low39.6Very low168 Ų168164.9 Ų164.979%0.78576%0.757SS**  trans-138.290.7156.4-76.1-163.716300109.7
450Y44.3Very low39.3Very low311 Ų311166.5 Ų166.5100%1.2276%0.763SS**  trans-169.60135.5-88-57.5000112.5

Retrieved 450 of 450 residues in 1987.3 ms (Link to these results)

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