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Tubulin beta chain

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

AlphaFold DB , UniProt , Accession A0A5K4F3J5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.3Low91.8Very high126 Ų12633.5 Ų33.562%0.62115%0.151SC*.  0171.20-107.4163.2-95.100108.2N48 C129M1-N48 HydrophobicContact SD-CB 3.65Å; M1-N48 PolarHBondContact SD-ND2 3.46Å; M1-N48 VanDerWaalsContact SD-ND2 3.38Å; M1-C129 WeakPolarHBondContact O-CB 3.4Å; M1-C129 PolarHBondContact O-SG 3.31Å; M1-C129 VanDerWaalsContact O-SG 3.41Å
2R81.4Confident92Very high114 Ų11433.4 Ų33.443%0.4316%0.157SC..  trans-138102.3-175.1-65174.9175.9169.5-18.7107.5Q131 A248 D249R2-Q131 HydrophobicContact CB-CB 4.17Å; R2-A248 VanDerWaalsContact NH1-C 3.33Å; R2-A248 PolarHBondContact NH1-O 3.2Å; R2-D249 IonicContact CZ-OD2 2.82Å; R2-D249 VanDerWaalsContact NH1-CG 3.29Å; R2-D249 IonicContact NH1-OD2 3.85Å; R2-D249 PolarHBondContact NH1-OD2 2.76Å; R2-D249 IonicContact NH2-OD2 3.26Å; R2-D249 PolarHBondContact NH2-OD2 3.3Å
3E93.6Very high92.4Very high2 Ų230.8 Ų30.81%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-107.4144.7-162.9-60.2167.3110.200110.9N48 R62 C127 D128 C129 Q131E3-N48 WeakPolarHBondContact CG-O 3.25Å; E3-R62 IonicContact OE1-CZ 2.92Å; E3-R62 IonicContact OE1-NE 2.69Å; E3-R62 IonicContact OE1-NH2 2.89Å; E3-R62 PolarHBondContact OE1-NH2 3.37Å; E3-C127 HydrophobicContact CB-CB 4.06Å; E3-C127 VanDerWaalsContact OE2-C 3.3Å; E3-C127 VanDerWaalsContact OE2-CA 3.3Å; E3-C127 WeakPolarHBondContact OE2-CA 3.44Å; E3-C127 WeakPolarHBondContact OE2-CB 3.36Å; E3-D128 WeakPolarHBondContact OE2-CA 3.39Å; E3-D128 PolarHBondContact OE2-N 3.1Å; E3-C129 PolarHBondContact N-O 3.5Å; E3-C129 PolarHBondContact OE2-N 2.97Å; E3-Q131 WeakPolarHBondContact O-CB 3.38Å; E3-Q131 PolarHBondContact O-N 3.06Å
4I95.2Very high92.7Very high0 Ų028.6 Ų28.60%013%0.134CC..EExtended strand (participates in β ladder)trans-123.3130.3-176.2-65.3173000109A49 Y50 R62 Q131 G132 Q134 L240 L250I4-A49 PolarHBondContact N-O 2.91Å; I4-Y50 HydrophobicContact CB-CE1 4.11Å; I4-Y50 HydrophobicContact CD1-CE2 4.33Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; I4-R62 WeakPolarHBondContact O-CB 3.28Å; I4-Q131 HydrophobicContact CG1-CB 4.4Å; I4-G132 WeakPolarHBondContact CA-O 3.36Å; I4-Q134 HydrophobicContact CG2-CB 3.73Å; I4-L240 HydrophobicContact CD1-CD1 3.52Å; I4-L250 HydrophobicContact CD1-CD1 3.51Å; I4-L250 HydrophobicContact CD1-CG 4.27Å; I4-L250 HydrophobicContact CG1-CD1 4.43Å
5V97.8Very high92.9Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-90.6117.5168.1177.10000107.7I7 I64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.39Å; V5-I64 HydrophobicContact CG1-CD1 3.71Å; V5-I64 HydrophobicContact CG1-CG1 4.28Å; V5-E123 HydrophobicContact CG1-CB 4.04Å; V5-E123 HydrophobicContact CG2-CB 3.98Å; V5-L130 HydrophobicContact CG2-CD1 3.85Å; V5-G132 PolarHBondContact N-O 3.17Å; V5-F133 HydrophobicContact CB-CD1 3.79Å; V5-F133 HydrophobicContact CB-CE1 4.01Å; V5-F133 HydrophobicContact CG1-CD1 4.17Å; V5-F133 HydrophobicContact CG1-CE1 4.36Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.24Å; V5-Q134 PolarHBondContact O-N 3.08Å
6H98.3Very high93.2Very high0 Ų029.4 Ų29.40%014%0.138CC..EExtended strand (participates in β ladder)trans-98125.6-179.1-178.4-146.5000110.3Q8 F20 W21 Y50 R62 A63 I64 Q134 T136H6-Q8 PolarHBondContact CE1-NE2 3.42Å; H6-F20 AromaticContact CE1-CD1 3.58Å; H6-F20 AromaticContact CE1-CE1 3.95Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.94Å; H6-W21 HydrophobicContact CB-CZ2 3.86Å; H6-W21 AromaticContact ND1-CE2 3.56Å; H6-W21 AromaticContact ND1-CZ2 3.51Å; H6-W21 AromaticContact ND1-NE1 3.35Å; H6-W21 PolarHBondContact ND1-NE1 3.38Å; H6-Y50 HydrophobicContact CB-CD1 4.49Å; H6-Y50 HydrophobicContact CB-CE1 4.41Å; H6-R62 PolarHBondContact N-O 3.07Å; H6-A63 CarbonylContact O-C 3.58Å; H6-A63 VanDerWaalsContact O-CA 3.23Å; H6-A63 WeakPolarHBondContact O-CA 3.31Å; H6-I64 PolarHBondContact O-N 2.63Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.41Å; H6-Q134 PolarHBondContact CD2-NE2 3.14Å; H6-Q134 PolarHBondContact CD2-O 2.84Å; H6-Q134 VanDerWaalsContact CD2-O 3.29Å; H6-Q134 PolarHBondContact NE2-NE2 3.28Å; H6-T136 PolarHBondContact NE2-OG1 3.08Å
7I98.7Very high93.4Very high3 Ų327.7 Ų27.72%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-113.9138.2-177.8-52.9171.1000108.1V5 I64 V66 V120 F133 Q134 L135 T136 I155V5-I7 HydrophobicContact CG1-CG1 4.39Å; I7-I64 CarbonylContact C-O 3.52Å; I7-I64 WeakPolarHBondContact CA-O 3.26Å; I7-I64 HydrophobicContact CG1-CB 4.44Å; I7-I64 HydrophobicContact CG1-CD1 4.46Å; I7-V66 HydrophobicContact CG2-CG2 4.25Å; I7-V120 HydrophobicContact CD1-CG2 4.02Å; I7-F133 HydrophobicContact CD1-CD1 4.34Å; I7-Q134 PolarHBondContact N-O 3.27Å; I7-L135 HydrophobicContact CB-CD1 3.72Å; I7-L135 HydrophobicContact CG2-CD1 3.58Å; I7-L135 CarbonylContact O-C 3.51Å; I7-L135 WeakPolarHBondContact O-CA 3.28Å; I7-T136 PolarHBondContact O-N 3.48Å; I7-I155 HydrophobicContact CD1-CD1 3.29Å
8Q98.2Very high93.5Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-123.6116.3-179.8-63171.5-1.600108.2H6 N14 G17 I64 V66H6-Q8 PolarHBondContact CE1-NE2 3.42Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.25Å; Q8-G17 VanDerWaalsContact CD-CA 3.49Å; Q8-G17 PolarHBondContact NE2-O 3.42Å; Q8-I64 PolarHBondContact N-O 2.72Å; Q8-V66 PolarHBondContact O-N 2.81Å
9A97.8Very high93.6Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-115.5123.1-174.700000112.4L135 T136 H137A9-L135 HydrophobicContact CB-CD1 3.96Å; A9-T136 PolarHBondContact N-O 2.82Å; A9-T136 VanDerWaalsContact N-O 3.09Å; A9-H137 HydrophobicContact CB-CB 4.24Å
10G96.1Very high93.8Very high2 Ų227.7 Ų27.72%0.02113%0.132CC..Hα-helixtrans72.9177.1177.800000114.1C12 G13 N14 V66G10-C12 PolarHBondContact O-N 3.47Å; G10-G13 PolarHBondContact O-N 3.04Å; G10-N14 WeakPolarHBondContact O-CB 3.28Å; G10-N14 PolarHBondContact O-N 3.4Å; G10-N14 PolarHBondContact O-ND2 3.36Å; G10-V66 PolarHBondContact N-O 2.87Å
11Q93.8Very high94Very high122 Ų12226.4 Ų26.457%0.5713%0.126SC*.Hα-helixtrans-53-50.2-174.5-172.4-179.25.300113.5Q15 D67Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.31Å; Q11-Q15 PolarHBondContact O-N 3.39Å; Q11-D67 PolarHBondContact N-OD2 2.9Å; Q11-D67 VanDerWaalsContact N-OD2 3.16Å
12C93.9Very high95.7Very high32 Ų3222.4 Ų22.422%0.21611%0.106CC..Hα-helixtrans-63.1-48.1179.5-176.10000111.9G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.47Å; C12-N14 VanDerWaalsContact C-N 3.33Å; C12-N14 PolarHBondContact O-N 3.15Å; C12-Q15 PolarHBondContact O-N 3.44Å; C12-I16 WeakPolarHBondContact O-CG1 3.37Å; C12-I16 PolarHBondContact O-N 2.93Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å
13G96.8Very high96.4Very high0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-59-43.3-179.700000112.7G10 G17 T136G10-G13 PolarHBondContact O-N 3.04Å; G13-G17 WeakPolarHBondContact O-CA 3.31Å; G13-G17 PolarHBondContact O-N 2.83Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.46Å
14N97Very high96.4Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-71.6-35.8177.9-73.6-69.8000113.2Q8 G10 C12 A18 L65 V66 T72 M73 V76Q8-N14 WeakPolarHBondContact CB-OD1 3.25Å; G10-N14 WeakPolarHBondContact O-CB 3.28Å; G10-N14 PolarHBondContact O-N 3.4Å; G10-N14 PolarHBondContact O-ND2 3.36Å; C12-N14 VanDerWaalsContact C-N 3.33Å; C12-N14 PolarHBondContact O-N 3.15Å; N14-A18 WeakPolarHBondContact O-CB 3.36Å; N14-A18 PolarHBondContact O-N 2.93Å; N14-L65 WeakPolarHBondContact OD1-CB 3.29Å; N14-V66 PolarHBondContact ND2-O 2.82Å; N14-T72 HydrophobicContact CB-CG2 3.54Å; N14-M73 HydrophobicContact CB-CE 4.2Å; N14-M73 VanDerWaalsContact CG-CE 3.44Å; N14-M73 WeakPolarHBondContact ND2-CE 3.23Å; N14-V76 HydrophobicContact CB-CG2 4.29Å
15Q95.6Very high96.5Very high68 Ų6818.1 Ų18.132%0.3189%0.093SC..Hα-helixtrans-70.2-44.5177.3-73.3179.318.200112.5Q11 C12 G17 K19 N226Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.31Å; Q11-Q15 PolarHBondContact O-N 3.39Å; C12-Q15 PolarHBondContact O-N 3.44Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; Q15-K19 PolarHBondContact O-N 3.5Å; Q15-N226 WeakPolarHBondContact CB-ND2 3.39Å; Q15-N226 PolarHBondContact OE1-ND2 3.4Å
16I96.8Very high96.2Very high2 Ų222 Ų221%0.0111%0.114CC..Hα-helixtrans-63.5-45.7173.4-68.7171.4000109.4C12 K19 F20 T136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 3.37Å; C12-I16 PolarHBondContact O-N 2.93Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å; I16-K19 PolarHBondContact O-N 3.15Å; I16-F20 WeakPolarHBondContact O-CB 3.4Å; I16-F20 PolarHBondContact O-N 3.2Å; I16-T136 HydrophobicContact CB-CG2 3.92Å; I16-T136 HydrophobicContact CG2-CG2 3.65Å; I16-V169 HydrophobicContact CD1-CG2 3.46Å; I16-V169 VanDerWaalsContact CD1-CG2 3.46Å; I16-N226 HydrophobicContact CG1-CB 4.2Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.11Å; I16-V229 HydrophobicContact CD1-CG1 4.24Å; I16-V229 HydrophobicContact CG2-CB 4.22Å; I16-V229 HydrophobicContact CG2-CG1 3.51Å; I16-M233 HydrophobicContact CG2-CE 4.47Å; I16-M233 HydrophobicContact CG2-SD 3.46Å; I16-M233 WeakPolarHBondContact CG2-SD 3.14Å
17G96.7Very high96Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-59.8-47179.900000113.3Q8 G13 Q15 K19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.49Å; Q8-G17 PolarHBondContact NE2-O 3.42Å; G13-G17 WeakPolarHBondContact O-CA 3.31Å; G13-G17 PolarHBondContact O-N 2.83Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.93Å; G17-F20 WeakPolarHBondContact O-CB 3.48Å; G17-F20 PolarHBondContact O-N 3.16Å; G17-W21 PolarHBondContact O-N 2.98Å
18A95.9Very high95.7Very high20 Ų2022.1 Ų22.117%0.16511%0.114CC..Hα-helixtrans-55.9-48173.700000110.3N14 F20 W21 E22 V76N14-A18 WeakPolarHBondContact O-CB 3.36Å; N14-A18 PolarHBondContact O-N 2.93Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 2.99Å; A18-W21 PolarHBondContact O-N 3.15Å; A18-E22 WeakPolarHBondContact O-CG 3.08Å; A18-E22 PolarHBondContact O-N 3Å; A18-V76 HydrophobicContact CB-CG1 4.41Å; A18-V76 HydrophobicContact CB-CG2 4.38Å
19K95.9Very high95.5Very high63 Ų6322.5 Ų22.527%0.27412%0.118SC..Hα-helixtrans-64.5-37.8179.2-168.161.1-175.6172.60113Q15 I16 G17 E22 V23 S230Q15-K19 PolarHBondContact O-N 3.5Å; I16-K19 PolarHBondContact O-N 3.15Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.93Å; K19-E22 VanDerWaalsContact CD-OE2 3.25Å; K19-E22 WeakPolarHBondContact CD-OE2 3.45Å; K19-E22 IonicContact NZ-OE2 3.54Å; K19-E22 PolarHBondContact NZ-OE2 3.46Å; K19-E22 WeakPolarHBondContact O-CB 3.39Å; K19-E22 PolarHBondContact O-N 3.13Å; K19-V23 WeakPolarHBondContact O-CG2 3.15Å; K19-V23 PolarHBondContact O-N 3.32Å; K19-V23 VanDerWaalsContact O-N 3.09Å; K19-S230 WeakPolarHBondContact CG-OG 3.42Å
20F97.3Very high95.3Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-58-48173.2170-107.9000111.5H6 I16 G17 A18 E22 V23 I24 Y50 M233 T237H6-F20 AromaticContact CE1-CD1 3.58Å; H6-F20 AromaticContact CE1-CE1 3.95Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.94Å; I16-F20 WeakPolarHBondContact O-CB 3.4Å; I16-F20 PolarHBondContact O-N 3.2Å; G17-F20 WeakPolarHBondContact O-CB 3.48Å; G17-F20 PolarHBondContact O-N 3.16Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 2.99Å; F20-E22 PolarHBondContact O-N 2.84Å; F20-V23 PolarHBondContact O-N 3.23Å; F20-I24 HydrophobicContact CD1-CD1 4.36Å; F20-I24 HydrophobicContact CD2-CG2 4Å; F20-I24 HydrophobicContact CE1-CD1 3.69Å; F20-I24 HydrophobicContact CE1-CG1 4.3Å; F20-I24 HydrophobicContact CE2-CD1 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.53Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 HydrophobicContact CZ-CG2 3.88Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.12Å; F20-Y50 HydrophobicContact CE1-CD1 4.45Å; F20-Y50 HydrophobicContact CE1-CE1 4.3Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; F20-M233 HydrophobicContact CB-CE 4.03Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.19Å; F20-M233 HydrophobicContact CD2-CB 3.53Å; F20-M233 HydrophobicContact CD2-CE 4.02Å; F20-M233 HydrophobicContact CD2-SD 4.39Å; F20-M233 HydrophobicContact CE2-CB 3.79Å; F20-M233 HydrophobicContact CG-CB 4.42Å; F20-M233 HydrophobicContact CG-CE 3.81Å; F20-M233 HydrophobicContact CG-SD 4.42Å; F20-T237 HydrophobicContact CZ-CG2 4.32Å
21W97.1Very high95.2Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-63.3-38.9177.6-70.8112.5000112.9H6 G17 A18 V23 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.86Å; H6-W21 AromaticContact ND1-CE2 3.56Å; H6-W21 AromaticContact ND1-CZ2 3.51Å; H6-W21 AromaticContact ND1-NE1 3.35Å; H6-W21 PolarHBondContact ND1-NE1 3.38Å; G17-W21 PolarHBondContact O-N 2.98Å; A18-W21 PolarHBondContact O-N 3.15Å; W21-V23 VanDerWaalsContact C-N 3.32Å; W21-V23 PolarHBondContact O-N 2.91Å; W21-I24 HydrophobicContact CD2-CD1 4.33Å; W21-I24 HydrophobicContact CE3-CD1 3.5Å; W21-I24 HydrophobicContact CE3-CG1 3.97Å; W21-I24 HydrophobicContact CH2-CD1 4.39Å; W21-I24 HydrophobicContact CZ3-CD1 3.55Å; W21-I24 HydrophobicContact CZ3-CG1 4.47Å; W21-S25 WeakPolarHBondContact O-CB 3.25Å; W21-S25 PolarHBondContact O-N 2.85Å; W21-S25 PolarHBondContact O-OG 3.38Å; W21-Y50 AromaticContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CG 4.28Å; W21-Y50 VanDerWaalsContact CH2-O 3.29Å; W21-Y50 WeakPolarHBondContact CH2-O 3.17Å; W21-Y50 HydrophobicContact CZ2-CD1 4.46Å; W21-Y50 HydrophobicContact CZ3-CD1 4.49Å; W21-Y51 HydrophobicContact CE3-CE1 4.18Å; W21-Y51 AromaticContact CE3-CZ 3.87Å; W21-Y51 HydrophobicContact CZ3-CE1 4.04Å; W21-Y51 HydrophobicContact CZ3-CE2 4.08Å; W21-Y51 AromaticContact CZ3-CZ 3.78Å; W21-P61 HydrophobicContact CD2-CB 3.91Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.68Å; W21-P61 HydrophobicContact CE3-CG 3.78Å; W21-P61 HydrophobicContact CH2-CB 3.63Å; W21-P61 HydrophobicContact CZ2-CB 3.83Å; W21-P61 HydrophobicContact CZ3-CB 3.54Å; W21-P61 HydrophobicContact CZ3-CG 4.01Å; W21-A63 HydrophobicContact CH2-CB 4.49Å; W21-A63 HydrophobicContact CZ2-CB 3.54Å; W21-F85 HydrophobicContact CB-CE1 4.28Å; W21-F85 HydrophobicContact CB-CZ 3.81Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.38Å; W21-F85 HydrophobicContact CD2-CE1 4.13Å; W21-F85 AromaticContact CG-CE1 3.69Å; W21-F85 HydrophobicContact CG-CE1 3.69Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.62Å
22E95.6Very high95.3Very high43 Ų4321.2 Ų21.220%0.20112%0.117CC..Hα-helixtrans-56.1-48.5171.9-60.8-175.4174.800111.3A18 K19 F20 D26 P80 F81A18-E22 WeakPolarHBondContact O-CG 3.08Å; A18-E22 PolarHBondContact O-N 3Å; K19-E22 VanDerWaalsContact CD-OE2 3.25Å; K19-E22 WeakPolarHBondContact CD-OE2 3.45Å; K19-E22 IonicContact NZ-OE2 3.54Å; K19-E22 PolarHBondContact NZ-OE2 3.46Å; K19-E22 WeakPolarHBondContact O-CB 3.39Å; K19-E22 PolarHBondContact O-N 3.13Å; F20-E22 PolarHBondContact O-N 2.84Å; E22-D26 PolarHBondContact O-N 2.8Å; E22-D26 VanDerWaalsContact O-N 3.09Å; E22-P80 WeakPolarHBondContact OE1-CG 3.21Å; E22-F81 HydrophobicContact CB-CD2 4.18Å; E22-F81 HydrophobicContact CB-CE2 4.1Å; E22-F81 HydrophobicContact CG-CB 4.44Å; E22-F81 HydrophobicContact CG-CD2 3.53Å; E22-F81 HydrophobicContact CG-CE2 3.91Å; E22-F81 HydrophobicContact CG-CG 4.07Å
23V95.1Very high95.2Very high26 Ų2622.8 Ų22.816%0.15813%0.126CC..Hα-helixtrans-64.9-50.4-177.5170.80000111K19 F20 W21 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.15Å; K19-V23 PolarHBondContact O-N 3.32Å; K19-V23 VanDerWaalsContact O-N 3.09Å; F20-V23 PolarHBondContact O-N 3.23Å; W21-V23 VanDerWaalsContact C-N 3.32Å; W21-V23 PolarHBondContact O-N 2.91Å; V23-D26 PolarHBondContact O-N 3.38Å; V23-E27 WeakPolarHBondContact O-CG 3.38Å; V23-E27 PolarHBondContact O-N 2.77Å
24I95.2Very high95.1Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-73-30.7-177.464.3159000112.2F20 W21 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.36Å; F20-I24 HydrophobicContact CD2-CG2 4Å; F20-I24 HydrophobicContact CE1-CD1 3.69Å; F20-I24 HydrophobicContact CE1-CG1 4.3Å; F20-I24 HydrophobicContact CE2-CD1 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.53Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 HydrophobicContact CZ-CG2 3.88Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.12Å; W21-I24 HydrophobicContact CD2-CD1 4.33Å; W21-I24 HydrophobicContact CE3-CD1 3.5Å; W21-I24 HydrophobicContact CE3-CG1 3.97Å; W21-I24 HydrophobicContact CH2-CD1 4.39Å; W21-I24 HydrophobicContact CZ3-CD1 3.55Å; W21-I24 HydrophobicContact CZ3-CG1 4.47Å; I24-E27 PolarHBondContact O-N 2.79Å; I24-H28 WeakPolarHBondContact O-CB 3.41Å; I24-H28 PolarHBondContact O-CD2 3.18Å; I24-H28 PolarHBondContact O-N 3.17Å; I24-Y50 HydrophobicContact CD1-CG 4.36Å; I24-Y51 HydrophobicContact CD1-CE2 4.1Å
25S95.7Very high95Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-59.7-48171-75.60000110.8W21 E27 H28 G29 I30 Y51 L84W21-S25 WeakPolarHBondContact O-CB 3.25Å; W21-S25 PolarHBondContact O-N 2.85Å; W21-S25 PolarHBondContact O-OG 3.38Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 2.92Å; S25-H28 CarbonylContact O-C 3.45Å; S25-H28 PolarHBondContact O-N 3.48Å; S25-H28 VanDerWaalsContact O-N 3.15Å; S25-G29 PolarHBondContact O-N 3.09Å; S25-I30 CarbonylContact C-O 3.59Å; S25-I30 PolarHBondContact O-N 3.44Å; S25-Y51 WeakPolarHBondContact CA-OH 3.5Å; S25-Y51 PolarHBondContact N-OH 3.36Å; S25-Y51 PolarHBondContact OG-OH 3.09Å; S25-L84 WeakPolarHBondContact OG-CD2 3.48Å
26D93.3Very high94.9Very high82 Ų8224.5 Ų24.544%0.43914%0.136SC..Hα-helixtrans-62.1-39.2177.6-173.624.6000112.3E22 V23 H28 G29 R359E22-D26 PolarHBondContact O-N 2.8Å; E22-D26 VanDerWaalsContact O-N 3.09Å; V23-D26 PolarHBondContact O-N 3.38Å; D26-H28 PolarHBondContact O-N 2.91Å; D26-G29 PolarHBondContact O-N 3.15Å; D26-G29 VanDerWaalsContact O-N 3.15Å; D26-R359 HydrophobicContact CB-CG 4.33Å; D26-R359 PolarHBondContact O-NE 3.38Å; D26-R359 PolarHBondContact O-NH2 3.46Å; D26-R359 IonicContact OD1-NE 3.7Å; D26-R359 VanDerWaalsContact OD2-CB 3.28Å; D26-R359 WeakPolarHBondContact OD2-CB 3.24Å; D26-R359 WeakPolarHBondContact OD2-CG 3.34Å
27E92.7Very high94.7Very high3 Ų330.8 Ų30.81%0.01416%0.164CC..Hα-helixtrans-64.1-37.2174.4-70.5-176.4172.100113.3V23 I24 S25 G29 Q43 R241 F242 R318 R359V23-E27 WeakPolarHBondContact O-CG 3.38Å; V23-E27 PolarHBondContact O-N 2.77Å; I24-E27 PolarHBondContact O-N 2.79Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 2.92Å; E27-G29 VanDerWaalsContact C-N 3.28Å; E27-Q43 PolarHBondContact O-NE2 3.48Å; E27-R241 IonicContact OE2-CZ 2.82Å; E27-R241 VanDerWaalsContact OE2-CZ 3.22Å; E27-R241 IonicContact OE2-NH1 3.98Å; E27-R241 PolarHBondContact OE2-NH1 3.19Å; E27-R241 IonicContact OE2-NH2 2.75Å; E27-R241 PolarHBondContact OE2-NH2 2.69Å; E27-F242 HydrophobicContact CB-CE2 4.36Å; E27-F242 HydrophobicContact CB-CZ 4.04Å; E27-R318 IonicContact OE1-CZ 3.79Å; E27-R318 VanDerWaalsContact OE1-CZ 3.29Å; E27-R318 IonicContact OE1-NH1 3.89Å; E27-R318 PolarHBondContact OE1-NH1 3.34Å; E27-R318 IonicContact OE1-NH2 3.41Å; E27-R318 PolarHBondContact OE1-NH2 2.89Å; E27-R318 IonicContact OE2-CZ 3.29Å; E27-R318 IonicContact OE2-NH1 2.79Å; E27-R318 IonicContact OE2-NH2 3.82Å; E27-R318 PolarHBondContact OE2-NH2 2.78Å; E27-R359 HydrophobicContact CG-CG 4.25Å
28H93.2Very high94.2Very high1 Ų131.8 Ų31.81%0.00518%0.175CC..Hα-helixtrans-83.5-1.4174.9-75.4-73.7000113.2I24 S25 D26 I30 Y36 Q43 I47 R241 F242I24-H28 WeakPolarHBondContact O-CB 3.41Å; I24-H28 PolarHBondContact O-CD2 3.18Å; I24-H28 PolarHBondContact O-N 3.17Å; S25-H28 CarbonylContact O-C 3.45Å; S25-H28 PolarHBondContact O-N 3.48Å; S25-H28 VanDerWaalsContact O-N 3.15Å; D26-H28 PolarHBondContact O-N 2.91Å; H28-I30 VanDerWaalsContact C-N 3.25Å; H28-I30 HydrophobicContact CB-CD1 3.86Å; H28-I30 HydrophobicContact CB-CG1 3.98Å; H28-I30 PolarHBondContact O-N 3.09Å; H28-Y36 VanDerWaalsContact O-CD2 3.29Å; H28-Y36 WeakPolarHBondContact O-CD2 3.48Å; H28-Y36 VanDerWaalsContact O-CE2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.41Å; H28-Q43 PolarHBondContact ND1-O 3.01Å; H28-I47 HydrophobicContact CB-CD1 4.21Å; H28-R241 WeakPolarHBondContact NE2-CB 3.29Å; H28-R241 PolarHBondContact NE2-NH1 2.72Å; H28-F242 AromaticContact CE1-CD1 4Å; H28-F242 AromaticContact CE1-CE1 3.29Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.13Å; H28-F242 AromaticContact CE1-CZ 3.59Å; H28-F242 AromaticContact ND1-CE1 3.48Å; H28-F242 WeakPolarHBondContact ND1-CE1 3.44Å; H28-F242 AromaticContact ND1-CZ 3.86Å; H28-F242 AromaticContact NE2-CE1 3.97Å; H28-F242 AromaticContact NE2-CZ 3.79Å
29G93.1Very high93.7Very high9 Ų937.1 Ų37.19%0.09320%0.201CC..THydrogen-bonded Turntrans66.726.3-176.900000113.3S25 D26 E27 H37 G38S25-G29 PolarHBondContact O-N 3.09Å; D26-G29 PolarHBondContact O-N 3.15Å; D26-G29 VanDerWaalsContact O-N 3.15Å; E27-G29 VanDerWaalsContact C-N 3.28Å; G29-H37 PolarHBondContact O-N 3.32Å; G29-G38 PolarHBondContact O-N 2.95Å
30I95.1Very high93.2Very high5 Ų536.1 Ų36.13%0.02620%0.201CC..BIsolated β-bridgetrans-91.2127.5176.2-58.6166.7000108.7S25 H28 I47 Y51 Y59 L84S25-I30 CarbonylContact C-O 3.59Å; S25-I30 PolarHBondContact O-N 3.44Å; H28-I30 VanDerWaalsContact C-N 3.25Å; H28-I30 HydrophobicContact CB-CD1 3.86Å; H28-I30 HydrophobicContact CB-CG1 3.98Å; H28-I30 PolarHBondContact O-N 3.09Å; I30-I47 HydrophobicContact CD1-CD1 3.63Å; I30-I47 HydrophobicContact CD1-CG1 4.22Å; I30-I47 HydrophobicContact CG1-CD1 4.09Å; I30-Y51 HydrophobicContact CD1-CD1 3.82Å; I30-Y51 HydrophobicContact CD1-CD2 4.02Å; I30-Y51 HydrophobicContact CD1-CE1 3.54Å; I30-Y51 HydrophobicContact CD1-CE2 3.76Å; I30-Y51 HydrophobicContact CD1-CG 4.06Å; I30-Y59 HydrophobicContact CD1-CD2 4.5Å; I30-Y59 HydrophobicContact CD1-CG 4.25Å; I30-Y59 HydrophobicContact CG1-CD2 4.34Å; I30-L84 HydrophobicContact CG2-CD1 4.31Å
31D94.5Very high92.6Very high41 Ų4142.9 Ų42.922%0.21924%0.238CC..  trans-81.2172.5174.183.7-7.2000112.2T33 G34 T35 H37D31-T33 VanDerWaalsContact CG-OG1 3.26Å; D31-T33 PolarHBondContact O-N 3.39Å; D31-T33 VanDerWaalsContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CA 3.48Å; D31-T33 WeakPolarHBondContact OD1-CB 3.44Å; D31-T33 PolarHBondContact OD1-N 3.36Å; D31-T33 PolarHBondContact OD1-OG1 2.92Å; D31-T33 PolarHBondContact OD2-OG1 2.72Å; D31-T33 VanDerWaalsContact OD2-OG1 3.1Å; D31-G34 PolarHBondContact O-N 3.17Å; D31-G34 PolarHBondContact OD1-N 2.97Å; D31-G34 VanDerWaalsContact OD1-N 3.16Å; D31-T35 PolarHBondContact N-O 3.06Å; D31-T35 PolarHBondContact OD1-N 3.36Å; D31-H37 IonicContact OD2-CD2 2.83Å; D31-H37 IonicContact OD2-NE2 3.25Å
32P94.5Very high92.1Very high50 Ų5046.1 Ų46.133%0.32526%0.255SS..THydrogen-bonded Turntrans-61.2-11.4178.3-25.235.1000116P80 F81P32-P80 VanDerWaalsContact CB-O 3.31Å; P32-P80 WeakPolarHBondContact CB-O 3.22Å; P32-F81 HydrophobicContact CB-CD1 4.19Å; P32-F81 HydrophobicContact CB-CE1 4.34Å; P32-F81 HydrophobicContact CB-CG 4.34Å; P32-F81 HydrophobicContact CG-CD1 4.26Å; P32-F81 HydrophobicContact CG-CD2 4.27Å; P32-F81 HydrophobicContact CG-CE1 3.97Å; P32-F81 HydrophobicContact CG-CE2 4.01Å; P32-F81 HydrophobicContact CG-CG 4.42Å; P32-F81 HydrophobicContact CG-CZ 3.86Å
33T92.3Very high91.7Very high65 Ų6544.4 Ų44.440%0.39925%0.247SC..THydrogen-bonded Turntrans-92.7-2.8177.177.30000113.1D31 T35D31-T33 VanDerWaalsContact CG-OG1 3.26Å; D31-T33 PolarHBondContact O-N 3.39Å; D31-T33 VanDerWaalsContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CA 3.48Å; D31-T33 WeakPolarHBondContact OD1-CB 3.44Å; D31-T33 PolarHBondContact OD1-N 3.36Å; D31-T33 PolarHBondContact OD1-OG1 2.92Å; D31-T33 PolarHBondContact OD2-OG1 2.72Å; D31-T33 VanDerWaalsContact OD2-OG1 3.1Å; T33-T35 PolarHBondContact OG1-OG1 2.82Å
34G94.1Very high91.5Very high1 Ų145.5 Ų45.51%0.0125%0.251CS..SBendtrans84.77.9-17400000113.5D31 K58 Y59 L84D31-G34 PolarHBondContact O-N 3.17Å; D31-G34 PolarHBondContact OD1-N 2.97Å; D31-G34 VanDerWaalsContact OD1-N 3.16Å; G34-K58 CarbonylContact O-C 3.54Å; G34-K58 WeakPolarHBondContact O-CA 3.44Å; G34-Y59 WeakPolarHBondContact CA-O 3.37Å; G34-Y59 PolarHBondContact O-N 2.84Å; G34-L84 VanDerWaalsContact CA-CD1 3.42Å
35T94.8Very high91.2Very high47 Ų4750.5 Ų50.529%0.28828%0.275SS..BIsolated β-bridgetrans-88.7135.1-176.5-50.30000110.8D31 T33D31-T35 PolarHBondContact N-O 3.06Å; D31-T35 PolarHBondContact OD1-N 3.36Å; T33-T35 PolarHBondContact OG1-OG1 2.82Å
36Y94.4Very high90.9Very high57 Ų5753.5 Ų53.522%0.22429%0.286CS..BIsolated β-bridgetrans-78.8126.4176.1176.1-104.8000112.2H28 G38 S40 Q43 L44H28-Y36 VanDerWaalsContact O-CD2 3.29Å; H28-Y36 WeakPolarHBondContact O-CD2 3.48Å; H28-Y36 VanDerWaalsContact O-CE2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.41Å; Y36-G38 VanDerWaalsContact OH-C 3.25Å; Y36-G38 WeakPolarHBondContact OH-CA 3.36Å; Y36-S40 PolarHBondContact OH-N 2.73Å; Y36-S40 PolarHBondContact OH-O 2.85Å; Y36-S40 VanDerWaalsContact OH-O 3.06Å; Y36-Q43 HydrophobicContact CE2-CB 4.08Å; Y36-Q43 PolarHBondContact OH-OE1 3.18Å; Y36-L44 HydrophobicContact CD1-CD1 3.98Å; Y36-L44 HydrophobicContact CD1-CD2 4.45Å; Y36-L44 HydrophobicContact CD2-CD1 4.4Å; Y36-L44 HydrophobicContact CD2-CD2 3.5Å; Y36-L44 HydrophobicContact CD2-CG 4.09Å; Y36-L44 HydrophobicContact CE1-CD1 3.81Å; Y36-L44 HydrophobicContact CE1-CG 4.26Å; Y36-L44 HydrophobicContact CE2-CD1 4.24Å; Y36-L44 HydrophobicContact CE2-CD2 3.67Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.26Å; Y36-L44 HydrophobicContact CG-CD2 3.91Å; Y36-L44 HydrophobicContact CG-CG 4.42Å
37H91.8Very high90.8Very high133 Ų13349.8 Ų49.862%0.61627%0.266SS*.  trans-130.724.6174.9-67.4-69.5000111.9G29 D31G29-H37 PolarHBondContact O-N 3.32Å; D31-H37 IonicContact OD2-CD2 2.83Å; D31-H37 IonicContact OD2-NE2 3.25Å
38G86.9Confident90.8Very high21 Ų2151.4 Ų51.422%0.21628%0.275CS..  trans-73.4174.9178.100000113.8G29 Y36G29-G38 PolarHBondContact O-N 2.95Å; Y36-G38 VanDerWaalsContact OH-C 3.25Å; Y36-G38 WeakPolarHBondContact OH-CA 3.36Å
39D85.9Confident90.8Very high133 Ų13351.5 Ų51.571%0.71128%0.276SS*.SBendtrans-121.63.8-172.859.5-4.6000113.1Q43D39-Q43 PolarHBondContact OD1-OE1 3.12Å
40S84.5Confident90.9Very high41 Ų4151 Ų5129%0.28727%0.271SS..  trans-146.8131.3-174.8176.10000112.3Y36 L42 Q43Y36-S40 PolarHBondContact OH-N 2.73Å; Y36-S40 PolarHBondContact OH-O 2.85Å; Y36-S40 VanDerWaalsContact OH-O 3.06Å; S40-L42 PolarHBondContact O-N 3.03Å; S40-L42 VanDerWaalsContact O-N 3.13Å; S40-L42 PolarHBondContact OG-N 3.08Å; S40-Q43 VanDerWaalsContact O-CB 3.28Å; S40-Q43 WeakPolarHBondContact O-CB 3.11Å; S40-Q43 PolarHBondContact O-N 3.44Å
41D85.3Confident90.9Very high143 Ų14350.8 Ų50.877%0.76527%0.27SS*.G310 helixtrans-59-27.4176.7-61.5-27.4000112.7Q43 L44 E45D41-Q43 PolarHBondContact O-N 2.91Å; D41-Q43 VanDerWaalsContact O-N 3.15Å; D41-L44 PolarHBondContact O-N 3.14Å; D41-E45 PolarHBondContact O-N 3Å
42L85.8Confident90.9Very high68 Ų6849.9 Ų49.936%0.35627%0.265SS..G310 helixtrans-61.3-23.5176-58.6173.9000112.1S40 L44 F242 P243 I356S40-L42 PolarHBondContact O-N 3.03Å; S40-L42 VanDerWaalsContact O-N 3.13Å; S40-L42 PolarHBondContact OG-N 3.08Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.85Å; L42-F242 WeakPolarHBondContact O-CD1 3.39Å; L42-P243 HydrophobicContact CD2-CG 3.71Å; L42-I356 HydrophobicContact CB-CD1 3.78Å
43Q88.4Confident90.7Very high7 Ų753.2 Ų53.23%0.03328%0.276CS..G310 helixtrans-70.3-26.1176.2-64.2179.5-64.100112.4E27 H28 Y36 D39 S40 D41 R359E27-Q43 PolarHBondContact O-NE2 3.48Å; H28-Q43 PolarHBondContact ND1-O 3.01Å; Y36-Q43 HydrophobicContact CE2-CB 4.08Å; Y36-Q43 PolarHBondContact OH-OE1 3.18Å; D39-Q43 PolarHBondContact OD1-OE1 3.12Å; S40-Q43 VanDerWaalsContact O-CB 3.28Å; S40-Q43 WeakPolarHBondContact O-CB 3.11Å; S40-Q43 PolarHBondContact O-N 3.44Å; D41-Q43 PolarHBondContact O-N 2.91Å; D41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-R359 VanDerWaalsContact NE2-NH2 3.16Å
44L89.9Confident90.6Very high48 Ų4852 Ų5225%0.25127%0.273SS..THydrogen-bonded Turntrans-98.1-21.7-178.9-64.7-178.2000113.1Y36 D41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 3.98Å; Y36-L44 HydrophobicContact CD1-CD2 4.45Å; Y36-L44 HydrophobicContact CD2-CD1 4.4Å; Y36-L44 HydrophobicContact CD2-CD2 3.5Å; Y36-L44 HydrophobicContact CD2-CG 4.09Å; Y36-L44 HydrophobicContact CE1-CD1 3.81Å; Y36-L44 HydrophobicContact CE1-CG 4.26Å; Y36-L44 HydrophobicContact CE2-CD1 4.24Å; Y36-L44 HydrophobicContact CE2-CD2 3.67Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.26Å; Y36-L44 HydrophobicContact CG-CD2 3.91Å; Y36-L44 HydrophobicContact CG-CG 4.42Å; D41-L44 PolarHBondContact O-N 3.14Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.85Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 2.74Å; L44-R46 VanDerWaalsContact O-N 3.08Å; L44-I47 HydrophobicContact CD2-CD1 3.53Å; L44-I47 WeakPolarHBondContact O-CB 3.4Å; L44-I47 WeakPolarHBondContact O-CG2 3.48Å; L44-I47 PolarHBondContact O-N 3.43Å; L44-I47 VanDerWaalsContact O-N 3.14Å; L44-Y59 HydrophobicContact CD2-CE2 3.94Å
45E88.1Confident90.1Very high105 Ų10558.5 Ų58.549%0.49131%0.313SS..THydrogen-bonded Turntrans-53.3-38.8-168.3-170-178.2142.600114.8D41 P243D41-E45 PolarHBondContact O-N 3Å; E45-P243 WeakPolarHBondContact OE2-CG 3.35Å
46R89.7Confident89.6Confident63 Ų6360.3 Ų60.324%0.23834%0.341CS..THydrogen-bonded Turntrans-126.227.6176.3-49.8179.6178.3-179.8-3.8113.1L44 N48 A49 C239 L240 R241 F242L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 2.74Å; L44-R46 VanDerWaalsContact O-N 3.08Å; R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.16Å; R46-A49 VanDerWaalsContact O-CB 3.26Å; R46-A49 WeakPolarHBondContact O-CB 3.17Å; R46-A49 PolarHBondContact O-N 3.24Å; R46-A49 VanDerWaalsContact O-N 3.08Å; R46-C239 PolarHBondContact NH1-O 3.07Å; R46-L240 WeakPolarHBondContact CB-O 3.38Å; R46-L240 WeakPolarHBondContact CD-O 3.41Å; R46-R241 WeakPolarHBondContact CB-O 3.48Å; R46-F242 PolarHBondContact NH1-O 3.15Å
47I92.2Very high89.2Confident4 Ų459.1 Ų59.12%0.02135%0.346CS..G310 helixtrans-57-32.6179.9-163.2161.9000112.3H28 I30 L44 A49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 4.21Å; I30-I47 HydrophobicContact CD1-CD1 3.63Å; I30-I47 HydrophobicContact CD1-CG1 4.22Å; I30-I47 HydrophobicContact CG1-CD1 4.09Å; L44-I47 HydrophobicContact CD2-CD1 3.53Å; L44-I47 WeakPolarHBondContact O-CB 3.4Å; L44-I47 WeakPolarHBondContact O-CG2 3.48Å; L44-I47 PolarHBondContact O-N 3.43Å; L44-I47 VanDerWaalsContact O-N 3.14Å; I47-A49 PolarHBondContact O-N 3.45Å; I47-Y50 PolarHBondContact O-N 3.09Å; I47-Y51 HydrophobicContact CG1-CD2 3.75Å; I47-Y51 HydrophobicContact CG1-CG 4.17Å; I47-Y51 WeakPolarHBondContact O-CD2 3.22Å; I47-Y51 PolarHBondContact O-N 2.99Å; I47-Y59 HydrophobicContact CD1-CD1 3.79Å; I47-Y59 HydrophobicContact CD1-CD2 4Å; I47-Y59 HydrophobicContact CD1-CE1 3.9Å; I47-Y59 HydrophobicContact CD1-CE2 4.09Å; I47-Y59 HydrophobicContact CD1-CG 3.84Å; I47-Y59 HydrophobicContact CG1-CD1 4.12Å; I47-Y59 HydrophobicContact CG1-CE1 4.35Å; I47-Y59 HydrophobicContact CG2-CD1 4.13Å; I47-Y59 HydrophobicContact CG2-CE1 3.63Å
48N92.7Very high89.3Confident37 Ų3757.5 Ų57.520%0.19834%0.337CS..G310 helixtrans-62.9-15.5-179.5-64.7-20.9000114M1 E3 R46 Y50 Y51 R62M1-N48 HydrophobicContact SD-CB 3.65Å; M1-N48 PolarHBondContact SD-ND2 3.46Å; M1-N48 VanDerWaalsContact SD-ND2 3.38Å; E3-N48 WeakPolarHBondContact CG-O 3.25Å; R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.16Å; N48-Y50 PolarHBondContact O-N 2.94Å; N48-Y51 VanDerWaalsContact CA-O 3.24Å; N48-Y51 WeakPolarHBondContact CA-O 3.48Å; N48-R62 PolarHBondContact O-NE 3.46Å
49A92.6Very high89.7Confident3 Ų357.5 Ų57.53%0.02533%0.33CS..G310 helixtrans-53.8-37.1174.600000112.1I4 R46 I47I4-A49 PolarHBondContact N-O 2.91Å; R46-A49 VanDerWaalsContact O-CB 3.26Å; R46-A49 WeakPolarHBondContact O-CB 3.17Å; R46-A49 PolarHBondContact O-N 3.24Å; R46-A49 VanDerWaalsContact O-N 3.08Å; I47-A49 PolarHBondContact O-N 3.45Å
50Y95.4Very high90.2Very high0 Ų052.4 Ų52.40%030%0.304CS..THydrogen-bonded Turntrans-126.4-8.5179.7-78.5-84.8000114.1I4 H6 F20 W21 I24 I47 N48 R62 Q134 T237 L240 R241I4-Y50 HydrophobicContact CB-CE1 4.11Å; I4-Y50 HydrophobicContact CD1-CE2 4.33Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; H6-Y50 HydrophobicContact CB-CD1 4.49Å; H6-Y50 HydrophobicContact CB-CE1 4.41Å; F20-Y50 HydrophobicContact CE1-CD1 4.45Å; F20-Y50 HydrophobicContact CE1-CE1 4.3Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; W21-Y50 AromaticContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CG 4.28Å; W21-Y50 VanDerWaalsContact CH2-O 3.29Å; W21-Y50 WeakPolarHBondContact CH2-O 3.17Å; W21-Y50 HydrophobicContact CZ2-CD1 4.46Å; W21-Y50 HydrophobicContact CZ3-CD1 4.49Å; I24-Y50 HydrophobicContact CD1-CG 4.36Å; I47-Y50 PolarHBondContact O-N 3.09Å; N48-Y50 PolarHBondContact O-N 2.94Å; Y50-R62 WeakPolarHBondContact O-CB 3.31Å; Y50-R62 PolarHBondContact O-N 3.01Å; Y50-Q134 PolarHBondContact OH-OE1 3.25Å; Y50-T237 HydrophobicContact CE2-CG2 4.3Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.19Å; Y50-L240 HydrophobicContact CE2-CD1 4.44Å; Y50-R241 HydrophobicContact CD2-CG 3.61Å; Y50-R241 HydrophobicContact CE2-CG 3.89Å
51Y96.1Very high90.8Very high0 Ų050.5 Ų50.50%029%0.291CS..EExtended strand (participates in β ladder)trans-120.1148.1-178.4-65.5-92.3000111.7W21 I24 S25 I30 I47 N48 V60 P61 R62 L84W21-Y51 HydrophobicContact CE3-CE1 4.18Å; W21-Y51 AromaticContact CE3-CZ 3.87Å; W21-Y51 HydrophobicContact CZ3-CE1 4.04Å; W21-Y51 HydrophobicContact CZ3-CE2 4.08Å; W21-Y51 AromaticContact CZ3-CZ 3.78Å; I24-Y51 HydrophobicContact CD1-CE2 4.1Å; S25-Y51 WeakPolarHBondContact CA-OH 3.5Å; S25-Y51 PolarHBondContact N-OH 3.36Å; S25-Y51 PolarHBondContact OG-OH 3.09Å; I30-Y51 HydrophobicContact CD1-CD1 3.82Å; I30-Y51 HydrophobicContact CD1-CD2 4.02Å; I30-Y51 HydrophobicContact CD1-CE1 3.54Å; I30-Y51 HydrophobicContact CD1-CE2 3.76Å; I30-Y51 HydrophobicContact CD1-CG 4.06Å; I47-Y51 HydrophobicContact CG1-CD2 3.75Å; I47-Y51 HydrophobicContact CG1-CG 4.17Å; I47-Y51 WeakPolarHBondContact O-CD2 3.22Å; I47-Y51 PolarHBondContact O-N 2.99Å; N48-Y51 VanDerWaalsContact CA-O 3.24Å; N48-Y51 WeakPolarHBondContact CA-O 3.48Å; Y51-V60 CarbonylContact C-O 3.54Å; Y51-V60 WeakPolarHBondContact CA-O 3.48Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; Y51-R62 PolarHBondContact O-NE 3.33Å; Y51-L84 HydrophobicContact CE1-CD2 4.44Å
52N93.5Very high91.3Very high21 Ų2144 Ų4411%0.11226%0.256CS..EExtended strand (participates in β ladder)trans-93.9135.5162.1-83.4-57.9000108.7A54 Y59 V60 R62 E123N52-A54 PolarHBondContact O-N 3.24Å; N52-Y59 WeakPolarHBondContact O-CA 3.45Å; N52-V60 PolarHBondContact N-O 2.78Å; N52-V60 PolarHBondContact O-N 2.94Å; N52-R62 PolarHBondContact ND2-NH1 3.38Å; N52-R62 PolarHBondContact OD1-NH1 2.9Å; N52-R62 PolarHBondContact OD1-NH2 3.34Å; N52-E123 PolarHBondContact ND2-OE2 2.95Å
53E91.2Very high91.9Very high120 Ų12040.8 Ų40.856%0.56124%0.239SC*.EExtended strand (participates in β ladder)trans-83.7109.4167-167.8177.3169.900109.6Y59E53-Y59 HydrophobicContact CB-CD1 4.36Å; E53-Y59 HydrophobicContact CB-CE1 4.08Å; E53-Y59 HydrophobicContact CG-CE1 4.05Å
54A88.7Confident92.4Very high40 Ų4040.5 Ų40.533%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-88173.3175.200000111.7N52 G56 G57 K58 V60N52-A54 PolarHBondContact O-N 3.24Å; A54-G56 PolarHBondContact O-N 2.93Å; A54-G57 PolarHBondContact O-N 3.43Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 WeakPolarHBondContact CB-O 3.41Å; A54-K58 PolarHBondContact N-O 3.02Å; A54-V60 HydrophobicContact CB-CG2 3.88Å
55T84.1Confident92.8Very high138 Ų13838.2 Ų38.285%0.84723%0.225SC*.THydrogen-bonded Turntrans-57.1137.9178.545.20000112.2
56G84.6Confident93.3Very high85 Ų8533.2 Ų33.288%0.87620%0.202SC*.THydrogen-bonded Turntrans82.915.4-178.300000114.8A54 K58A54-G56 PolarHBondContact O-N 2.93Å; G56-K58 VanDerWaalsContact C-N 3.33Å
57G85.5Confident93.6Very high32 Ų3230.4 Ų30.433%0.3319%0.192SC..THydrogen-bonded Turntrans72.128.8178.700000112.8A54A54-G57 PolarHBondContact O-N 3.43Å
58K93.3Very high93.8Very high98 Ų9830.3 Ų30.343%0.42619%0.191SC..EExtended strand (participates in β ladder)trans-92.5133.1177.4-70.6-170.1173-160.30110.2G34 A54 G56G34-K58 CarbonylContact O-C 3.54Å; G34-K58 WeakPolarHBondContact O-CA 3.44Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 WeakPolarHBondContact CB-O 3.41Å; A54-K58 PolarHBondContact N-O 3.02Å; G56-K58 VanDerWaalsContact C-N 3.33Å
59Y95.8Very high93.7Very high21 Ų2133.3 Ų33.38%0.08220%0.204CC..EExtended strand (participates in β ladder)trans-94.9127.5176-64.7-76.6000110.8I30 G34 L44 I47 N52 E53 L84I30-Y59 HydrophobicContact CD1-CD2 4.5Å; I30-Y59 HydrophobicContact CD1-CG 4.25Å; I30-Y59 HydrophobicContact CG1-CD2 4.34Å; G34-Y59 WeakPolarHBondContact CA-O 3.37Å; G34-Y59 PolarHBondContact O-N 2.84Å; L44-Y59 HydrophobicContact CD2-CE2 3.94Å; I47-Y59 HydrophobicContact CD1-CD1 3.79Å; I47-Y59 HydrophobicContact CD1-CD2 4Å; I47-Y59 HydrophobicContact CD1-CE1 3.9Å; I47-Y59 HydrophobicContact CD1-CE2 4.09Å; I47-Y59 HydrophobicContact CD1-CG 3.84Å; I47-Y59 HydrophobicContact CG1-CD1 4.12Å; I47-Y59 HydrophobicContact CG1-CE1 4.35Å; I47-Y59 HydrophobicContact CG2-CD1 4.13Å; I47-Y59 HydrophobicContact CG2-CE1 3.63Å; N52-Y59 WeakPolarHBondContact O-CA 3.45Å; E53-Y59 HydrophobicContact CB-CD1 4.36Å; E53-Y59 HydrophobicContact CB-CE1 4.08Å; E53-Y59 HydrophobicContact CG-CE1 4.05Å; Y59-L84 VanDerWaalsContact O-CD1 3.31Å; Y59-L84 WeakPolarHBondContact O-CD1 3.4Å
60V96.2Very high93.7Very high26 Ų2635 Ų3516%0.15822%0.215CC..EExtended strand (participates in β ladder)trans-119.2125.7-178.5-179.50000109Y51 N52 A54 R62 R86Y51-V60 CarbonylContact C-O 3.54Å; Y51-V60 WeakPolarHBondContact CA-O 3.48Å; N52-V60 PolarHBondContact N-O 2.78Å; N52-V60 PolarHBondContact O-N 2.94Å; A54-V60 HydrophobicContact CB-CG2 3.88Å; V60-R62 PolarHBondContact O-N 3.17Å; V60-R86 HydrophobicContact CG1-CB 4.27Å
61P97.4Very high93.4Very high1 Ų137.3 Ų37.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-51.9135.1176.2-32.137.9000113.3W21 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 3.91Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.68Å; W21-P61 HydrophobicContact CE3-CG 3.78Å; W21-P61 HydrophobicContact CH2-CB 3.63Å; W21-P61 HydrophobicContact CZ2-CB 3.83Å; W21-P61 HydrophobicContact CZ3-CB 3.54Å; W21-P61 HydrophobicContact CZ3-CG 4.01Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; P61-A63 HydrophobicContact CB-CB 3.83Å; P61-A63 PolarHBondContact O-N 3.01Å; P61-L84 VanDerWaalsContact CD-CG 3.49Å; P61-L84 VanDerWaalsContact CD-O 3.3Å; P61-L84 WeakPolarHBondContact CD-O 3.12Å; P61-L84 HydrophobicContact CG-CD2 3.68Å; P61-L84 HydrophobicContact CG-CG 3.67Å; P61-F85 HydrophobicContact CB-CD1 3.93Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 4.02Å; P61-F85 HydrophobicContact CG-CE1 3.96Å
62R97Very high93.1Very high7 Ų738 Ų383%0.02624%0.243CC..  trans-75.159.7162.4-64.9-178.1-178.8-72.1-1.3109.4E3 I4 H6 N48 Y50 Y51 N52 V60 S126 C127E3-R62 IonicContact OE1-CZ 2.92Å; E3-R62 IonicContact OE1-NE 2.69Å; E3-R62 IonicContact OE1-NH2 2.89Å; E3-R62 PolarHBondContact OE1-NH2 3.37Å; I4-R62 WeakPolarHBondContact O-CB 3.28Å; H6-R62 PolarHBondContact N-O 3.07Å; N48-R62 PolarHBondContact O-NE 3.46Å; Y50-R62 WeakPolarHBondContact O-CB 3.31Å; Y50-R62 PolarHBondContact O-N 3.01Å; Y51-R62 PolarHBondContact O-NE 3.33Å; N52-R62 PolarHBondContact ND2-NH1 3.38Å; N52-R62 PolarHBondContact OD1-NH1 2.9Å; N52-R62 PolarHBondContact OD1-NH2 3.34Å; V60-R62 PolarHBondContact O-N 3.17Å; R62-S126 PolarHBondContact NH1-O 3.34Å; R62-S126 PolarHBondContact NH1-OG 2.87Å; R62-S126 PolarHBondContact NH2-O 2.87Å; R62-C127 PolarHBondContact NH1-SG 2.84Å; R62-C127 VanDerWaalsContact NH1-SG 3.4Å
63A97.7Very high92.9Very high1 Ų137 Ų371%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-116.1140.1-174.200000110.9H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.58Å; H6-A63 VanDerWaalsContact O-CA 3.23Å; H6-A63 WeakPolarHBondContact O-CA 3.31Å; W21-A63 HydrophobicContact CH2-CB 4.49Å; W21-A63 HydrophobicContact CZ2-CB 3.54Å; P61-A63 HydrophobicContact CB-CB 3.83Å; P61-A63 PolarHBondContact O-N 3.01Å; A63-L65 HydrophobicContact CB-CD1 4.09Å; A63-F85 HydrophobicContact CB-CD1 3.78Å; A63-F85 HydrophobicContact CB-CE1 3.77Å; A63-N89 WeakPolarHBondContact O-CB 3.23Å; A63-N89 PolarHBondContact O-ND2 2.81Å
64I98.6Very high92.9Very high0 Ų035.6 Ų35.60%023%0.234CC..EExtended strand (participates in β ladder)trans-122.9122.2171.5-54.1173.2000107.4V5 H6 I7 Q8 V66 V116 V119 V120 E123V5-I64 HydrophobicContact CG1-CD1 3.71Å; V5-I64 HydrophobicContact CG1-CG1 4.28Å; H6-I64 PolarHBondContact O-N 2.63Å; I7-I64 CarbonylContact C-O 3.52Å; I7-I64 WeakPolarHBondContact CA-O 3.26Å; I7-I64 HydrophobicContact CG1-CB 4.44Å; I7-I64 HydrophobicContact CG1-CD1 4.46Å; Q8-I64 PolarHBondContact N-O 2.72Å; I64-V66 HydrophobicContact CG2-CG2 3.94Å; I64-V116 HydrophobicContact CG2-CG1 4.38Å; I64-V119 HydrophobicContact CD1-CB 4.49Å; I64-V119 HydrophobicContact CD1-CG1 3.94Å; I64-V119 HydrophobicContact CG1-CG1 3.88Å; I64-V119 HydrophobicContact CG2-CB 4.43Å; I64-V119 HydrophobicContact CG2-CG1 4Å; I64-V120 VanDerWaalsContact CD1-CA 3.48Å; I64-V120 HydrophobicContact CD1-CB 4.1Å; I64-V120 HydrophobicContact CD1-CG2 3.57Å; I64-E123 HydrophobicContact CD1-CB 4.29Å; I64-E123 HydrophobicContact CD1-CG 4.12Å; I64-E123 HydrophobicContact CG1-CG 4.13Å
65L98.2Very high93Very high0 Ų037.4 Ų37.40%024%0.244CC..EExtended strand (participates in β ladder)trans-108.5116.5-174.4-66.491.1000108.2N14 A63 M73 V76 F85 N89 F90 V91N14-L65 WeakPolarHBondContact OD1-CB 3.29Å; A63-L65 HydrophobicContact CB-CD1 4.09Å; L65-M73 HydrophobicContact CB-CE 4.38Å; L65-M73 HydrophobicContact CB-SD 4.01Å; L65-V76 HydrophobicContact CD2-CB 4.47Å; L65-V76 HydrophobicContact CD2-CG1 3.73Å; L65-F85 HydrophobicContact CD1-CB 4.34Å; L65-F85 HydrophobicContact CD1-CD1 3.77Å; L65-F85 HydrophobicContact CD1-CE1 4.28Å; L65-F85 HydrophobicContact CD1-CG 4.04Å; L65-N89 PolarHBondContact N-O 3.23Å; L65-F90 HydrophobicContact CB-CD1 4.09Å; L65-F90 HydrophobicContact CB-CE1 4.39Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.47Å; L65-F90 HydrophobicContact CD2-CD1 4.35Å; L65-F90 HydrophobicContact CD2-CE1 3.82Å; L65-F90 HydrophobicContact CD2-CZ 4.3Å; L65-F90 HydrophobicContact CG-CE1 4.47Å; L65-V91 PolarHBondContact O-N 2.8Å
66V97.8Very high93.5Very high0 Ų031.3 Ų31.30%021%0.207CC..EExtended strand (participates in β ladder)trans-122.5126.9-171.7-1730000109.5I7 Q8 G10 N14 I64 V91 V116 M147 L151I7-V66 HydrophobicContact CG2-CG2 4.25Å; Q8-V66 PolarHBondContact O-N 2.81Å; G10-V66 PolarHBondContact N-O 2.87Å; N14-V66 PolarHBondContact ND2-O 2.82Å; I64-V66 HydrophobicContact CG2-CG2 3.94Å; V66-V91 WeakPolarHBondContact CA-O 3.25Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.64Å; V66-V116 HydrophobicContact CG2-CG2 3.94Å; V66-M147 HydrophobicContact CG1-CE 3.42Å; V66-M147 VanDerWaalsContact CG1-CE 3.42Å; V66-M147 HydrophobicContact CG1-SD 3.61Å; V66-L151 HydrophobicContact CG1-CD1 4.33Å; V66-L151 HydrophobicContact CG2-CD1 4.46Å
67D97.2Very high93.8Very high4 Ų432 Ų322%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-150154.1167.1-151.3-27.7000110.8Q11 E69 T72 M73 V91 F92 G93Q11-D67 PolarHBondContact N-OD2 2.9Å; Q11-D67 VanDerWaalsContact N-OD2 3.16Å; D67-E69 VanDerWaalsContact C-N 3.26Å; D67-T72 WeakPolarHBondContact OD2-CB 3.47Å; D67-T72 PolarHBondContact OD2-OG1 3.38Å; D67-M73 HydrophobicContact CB-CE 3.75Å; D67-V91 PolarHBondContact N-O 3.25Å; D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.38Å; D67-F92 VanDerWaalsContact O-CB 3.27Å; D67-F92 WeakPolarHBondContact O-CB 3.4Å; D67-G93 PolarHBondContact O-N 3.21Å; D67-G93 VanDerWaalsContact O-N 3.08Å
68L95.8Very high94.1Very high2 Ų234.7 Ų34.71%0.0120%0.203CC..SBendtrans-82.1-11.1176.8-68.2172.9000112.2G93 Q94 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.5Å; L68-G93 VanDerWaalsContact O-CA 3.28Å; L68-G93 WeakPolarHBondContact O-CA 3.41Å; L68-Q94 PolarHBondContact O-N 3.48Å; L68-S95 WeakPolarHBondContact CB-O 3.45Å; L68-S95 CarbonylContact O-C 3.22Å; L68-S95 PolarHBondContact O-N 3.14Å; L68-S95 VanDerWaalsContact O-N 3.15Å; L68-A97 HydrophobicContact CD1-CB 3.73Å; L68-E108 HydrophobicContact CD1-CB 3.9Å; L68-E108 HydrophobicContact CD2-CB 3.99Å; L68-E108 WeakPolarHBondContact CD2-O 3.47Å; L68-E108 HydrophobicContact CG-CB 4.47Å; L68-L112 HydrophobicContact CD2-CB 4.3Å; L68-L112 HydrophobicContact CD2-CD2 3.89Å; L68-T143 HydrophobicContact CB-CG2 4.36Å; L68-T143 HydrophobicContact CD1-CG2 4.06Å; L68-T143 HydrophobicContact CG-CG2 3.81Å; L68-M147 HydrophobicContact CD2-SD 3.72Å; L68-M147 HydrophobicContact CG-SD 4.01Å
69E91.9Very high94Very high100 Ų10031.2 Ų31.247%0.46719%0.194SC..SBendtrans-124145.9178-62.7-177.6105.300112D67 G71D67-E69 VanDerWaalsContact C-N 3.26Å; E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 3.35Å
70P91Very high93.7Very high39 Ų3934.5 Ų34.525%0.25322%0.218SC..Hα-helixtrans-70.4-24.2-179.827.7-34.8000113.3T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 3.44Å; P70-M73 WeakPolarHBondContact O-CA 3.27Å; P70-M73 WeakPolarHBondContact O-CB 3.5Å; P70-M73 PolarHBondContact O-N 3.06Å; P70-D74 PolarHBondContact O-N 3.32Å; P70-F92 HydrophobicContact CB-CD2 3.84Å; P70-F92 HydrophobicContact CB-CE2 3.89Å
71G90.5Very high93.6Very high48 Ų4834.9 Ų34.950%0.49522%0.218SC..Hα-helixtrans-59-40.6-169.600000114.2E69 S75E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 3.35Å; G71-S75 PolarHBondContact O-N 3.32Å; G71-S75 VanDerWaalsContact O-N 3.15Å
72T88.6Confident93.2Very high16 Ų1635.1 Ų35.110%0.09822%0.22CC..Hα-helixtrans-64.9-41.2174.9-55.10000111.2N14 D67 P70 S75 V76N14-T72 HydrophobicContact CB-CG2 3.54Å; D67-T72 WeakPolarHBondContact OD2-CB 3.47Å; D67-T72 PolarHBondContact OD2-OG1 3.38Å; P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 3.44Å; T72-S75 WeakPolarHBondContact O-CB 3.35Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-V76 WeakPolarHBondContact O-CG2 3.5Å; T72-V76 PolarHBondContact O-N 3.29Å
73M90.2Very high93Very high0 Ų043.1 Ų43.10%026%0.258CS..Hα-helixtrans-65.1-42.5-178.9-58-6393.500111.4N14 L65 D67 P70 S75 V76 R77 F90 F92N14-M73 HydrophobicContact CB-CE 4.2Å; N14-M73 VanDerWaalsContact CG-CE 3.44Å; N14-M73 WeakPolarHBondContact ND2-CE 3.23Å; L65-M73 HydrophobicContact CB-CE 4.38Å; L65-M73 HydrophobicContact CB-SD 4.01Å; D67-M73 HydrophobicContact CB-CE 3.75Å; P70-M73 WeakPolarHBondContact O-CA 3.27Å; P70-M73 WeakPolarHBondContact O-CB 3.5Å; P70-M73 PolarHBondContact O-N 3.06Å; M73-S75 VanDerWaalsContact C-N 3.31Å; M73-S75 PolarHBondContact O-N 2.66Å; M73-V76 PolarHBondContact O-N 3.5Å; M73-R77 WeakPolarHBondContact O-CB 3.46Å; M73-R77 WeakPolarHBondContact O-CG 2.86Å; M73-R77 PolarHBondContact O-N 2.65Å; M73-F90 HydrophobicContact CB-CD1 4.26Å; M73-F90 HydrophobicContact CG-CD1 4.49Å; M73-F90 HydrophobicContact SD-CD1 3.73Å; M73-F92 HydrophobicContact CB-CD1 4.28Å; M73-F92 HydrophobicContact CG-CB 3.77Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.83Å
74D91.1Very high92.8Very high89 Ų8943.3 Ų43.348%0.47626%0.259SS..Hα-helixtrans-62.1-40.5175.8-70.2-25.8000111.3P70 R77 A78P70-D74 PolarHBondContact O-N 3.32Å; D74-R77 PolarHBondContact O-N 2.99Å; D74-A78 VanDerWaalsContact O-CB 3.25Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.28Å
75S91.6Very high92.6Very high79 Ų7943.7 Ų43.755%0.55226%0.261SS*.Hα-helixtrans-62.9-42.1175.1-175.40000112.5G71 T72 M73 G79G71-S75 PolarHBondContact O-N 3.32Å; G71-S75 VanDerWaalsContact O-N 3.15Å; T72-S75 WeakPolarHBondContact O-CB 3.35Å; T72-S75 PolarHBondContact O-N 3.43Å; M73-S75 VanDerWaalsContact C-N 3.31Å; M73-S75 PolarHBondContact O-N 2.66Å; S75-G79 PolarHBondContact O-N 3.31Å; S75-G79 VanDerWaalsContact O-N 3.13Å
76V92.6Very high92.4Very high10 Ų1048 Ų486%0.06128%0.277CS..Hα-helixtrans-68.6-43.5178.5174.50000110.6N14 A18 L65 T72 M73 A78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4.29Å; A18-V76 HydrophobicContact CB-CG1 4.41Å; A18-V76 HydrophobicContact CB-CG2 4.38Å; L65-V76 HydrophobicContact CD2-CB 4.47Å; L65-V76 HydrophobicContact CD2-CG1 3.73Å; T72-V76 WeakPolarHBondContact O-CG2 3.5Å; T72-V76 PolarHBondContact O-N 3.29Å; M73-V76 PolarHBondContact O-N 3.5Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.05Å; V76-G79 WeakPolarHBondContact O-CA 3.46Å; V76-G79 PolarHBondContact O-N 3.43Å; V76-G82 WeakPolarHBondContact O-CA 3.5Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.11Å; V76-F90 HydrophobicContact CG1-CE1 4.28Å
77R91.5Very high92.2Very high98 Ų9852.3 Ų52.337%0.3731%0.305SS..Hα-helixtrans-63-37.4177.6-75.1176.1175.9177.3-3.2113M73 D74 F90M73-R77 WeakPolarHBondContact O-CB 3.46Å; M73-R77 WeakPolarHBondContact O-CG 2.86Å; M73-R77 PolarHBondContact O-N 2.65Å; D74-R77 PolarHBondContact O-N 2.99Å; R77-F90 HydrophobicContact CG-CD1 4.31Å; R77-F90 HydrophobicContact CG-CE1 3.68Å; R77-F90 HydrophobicContact CG-CE2 4.47Å; R77-F90 HydrophobicContact CG-CZ 3.77Å
78A91.9Very high92Very high90 Ų9058 Ų5874%0.74434%0.336SS*.Hα-helixtrans-75.9-13.8174.800000113.1D74 V76D74-A78 VanDerWaalsContact O-CB 3.25Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.28Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.05Å
79G90.8Very high92.1Very high24 Ų2458.1 Ų58.125%0.24734%0.336CS..SBendtrans-66.7163.1176.100000112.8S75 V76 F81 G82S75-G79 PolarHBondContact O-N 3.31Å; S75-G79 VanDerWaalsContact O-N 3.13Å; V76-G79 WeakPolarHBondContact O-CA 3.46Å; V76-G79 PolarHBondContact O-N 3.43Å; G79-F81 PolarHBondContact O-N 3.24Å; G79-G82 PolarHBondContact O-N 3.37Å
80P90.5Very high92.3Very high91 Ų9154.1 Ų54.159%0.59132%0.317SS*.THydrogen-bonded Turntrans-57.6-35.5-17521.1-31.5000113.2E22 P32E22-P80 WeakPolarHBondContact OE1-CG 3.21Å; P32-P80 VanDerWaalsContact CB-O 3.31Å; P32-P80 WeakPolarHBondContact CB-O 3.22Å
81F93.1Very high92.6Very high33 Ų3353 Ų5315%0.14531%0.309CS..THydrogen-bonded Turntrans-101.211.6179.4-74.7-103.1000113.2E22 P32 G79 Q83 L84E22-F81 HydrophobicContact CB-CD2 4.18Å; E22-F81 HydrophobicContact CB-CE2 4.1Å; E22-F81 HydrophobicContact CG-CB 4.44Å; E22-F81 HydrophobicContact CG-CD2 3.53Å; E22-F81 HydrophobicContact CG-CE2 3.91Å; E22-F81 HydrophobicContact CG-CG 4.07Å; P32-F81 HydrophobicContact CB-CD1 4.19Å; P32-F81 HydrophobicContact CB-CE1 4.34Å; P32-F81 HydrophobicContact CB-CG 4.34Å; P32-F81 HydrophobicContact CG-CD1 4.26Å; P32-F81 HydrophobicContact CG-CD2 4.27Å; P32-F81 HydrophobicContact CG-CE1 3.97Å; P32-F81 HydrophobicContact CG-CE2 4.01Å; P32-F81 HydrophobicContact CG-CG 4.42Å; P32-F81 HydrophobicContact CG-CZ 3.86Å; G79-F81 PolarHBondContact O-N 3.24Å; F81-Q83 PolarHBondContact O-N 3.04Å; F81-L84 HydrophobicContact CD1-CD2 3.86Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 2.71Å
82G90.7Very high92.8Very high6 Ų653.7 Ų53.76%0.06230%0.299CS..G310 helixtrans-59.8-31-176.400000114.2V76 G79 L84V76-G82 WeakPolarHBondContact O-CA 3.5Å; G79-G82 PolarHBondContact O-N 3.37Å; G82-L84 VanDerWaalsContact C-N 3.29Å; G82-L84 PolarHBondContact O-N 3.18Å
83Q90.8Very high93Very high175 Ų17553.6 Ų53.682%0.81830%0.302SS*.G310 helixtrans-79-10.3178.7-62.1-1771300113.9F81 F85F81-Q83 PolarHBondContact O-N 3.04Å; Q83-F85 VanDerWaalsContact C-N 3.32Å
84L94.2Very high92.9Very high5 Ų560.9 Ų60.93%0.02634%0.335CS..G310 helixtrans-72.1-32179.2-175.263.3000111.1S25 I30 G34 Y51 Y59 P61 F81 G82S25-L84 WeakPolarHBondContact OG-CD2 3.48Å; I30-L84 HydrophobicContact CG2-CD1 4.31Å; G34-L84 VanDerWaalsContact CA-CD1 3.42Å; Y51-L84 HydrophobicContact CE1-CD2 4.44Å; Y59-L84 VanDerWaalsContact O-CD1 3.31Å; Y59-L84 WeakPolarHBondContact O-CD1 3.4Å; P61-L84 VanDerWaalsContact CD-CG 3.49Å; P61-L84 VanDerWaalsContact CD-O 3.3Å; P61-L84 WeakPolarHBondContact CD-O 3.12Å; P61-L84 HydrophobicContact CG-CD2 3.68Å; P61-L84 HydrophobicContact CG-CG 3.67Å; F81-L84 HydrophobicContact CD1-CD2 3.86Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 2.71Å; G82-L84 VanDerWaalsContact C-N 3.29Å; G82-L84 PolarHBondContact O-N 3.18Å
85F95.1Very high92.7Very high9 Ų959.2 Ų59.24%0.03933%0.331CS..SBendtrans-78.5143.7-178-59.6-72.7000112.6W21 P61 A63 L65 V76 Q83 P87 F90W21-F85 HydrophobicContact CB-CE1 4.28Å; W21-F85 HydrophobicContact CB-CZ 3.81Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.38Å; W21-F85 HydrophobicContact CD2-CE1 4.13Å; W21-F85 AromaticContact CG-CE1 3.69Å; W21-F85 HydrophobicContact CG-CE1 3.69Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.62Å; P61-F85 HydrophobicContact CB-CD1 3.93Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 4.02Å; P61-F85 HydrophobicContact CG-CE1 3.96Å; A63-F85 HydrophobicContact CB-CD1 3.78Å; A63-F85 HydrophobicContact CB-CE1 3.77Å; L65-F85 HydrophobicContact CD1-CB 4.34Å; L65-F85 HydrophobicContact CD1-CD1 3.77Å; L65-F85 HydrophobicContact CD1-CE1 4.28Å; L65-F85 HydrophobicContact CD1-CG 4.04Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.11Å; Q83-F85 VanDerWaalsContact C-N 3.32Å; F85-P87 WeakPolarHBondContact O-CD 3.5Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.67Å; F85-F90 HydrophobicContact CD2-CZ 4.22Å; F85-F90 HydrophobicContact CG-CE2 4.48Å; F85-F90 HydrophobicContact CG-CZ 4.21Å
86R94.2Very high92.5Very high89 Ų8956 Ų5634%0.33631%0.31SS..  trans-65.2128172.8-172.3-179.4-69.8155.31.7109.6V60 D88 N89 F90 E123V60-R86 HydrophobicContact CG1-CB 4.27Å; R86-D88 HydrophobicContact CG-CB 4.23Å; R86-D88 PolarHBondContact O-N 3.19Å; R86-N89 HydrophobicContact CB-CB 4.37Å; R86-N89 WeakPolarHBondContact CD-OD1 3.32Å; R86-N89 PolarHBondContact O-N 3.41Å; R86-F90 WeakPolarHBondContact O-CD2 3.09Å; R86-E123 IonicContact CZ-OE1 3.22Å; R86-E123 IonicContact NH1-OE1 2.72Å; R86-E123 PolarHBondContact NH1-OE1 2.87Å
87P92.9Very high92.4Very high91 Ų9155.6 Ų55.659%0.59131%0.308SS*.G310 helixtrans-55.6-35.7179.2-2936.3000114.2F85 N89 F90F85-P87 WeakPolarHBondContact O-CD 3.5Å; P87-N89 PolarHBondContact O-N 3.46Å; P87-F90 WeakPolarHBondContact O-CD2 3.45Å; P87-F90 PolarHBondContact O-N 3.36Å
88D93.6Very high92.3Very high125 Ų12554 Ų5467%0.66832%0.322SS*.G310 helixtrans-70.1-13.8180-58.9-23.6000113.4R86 F90R86-D88 HydrophobicContact CG-CB 4.23Å; R86-D88 PolarHBondContact O-N 3.19Å; D88-F90 VanDerWaalsContact C-N 3.34Å
89N96.5Very high92.3Very high4 Ų453.3 Ų53.32%0.02131%0.305CS..G310 helixtrans-92.91.9179.4-65.824.1000112.8A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.23Å; A63-N89 PolarHBondContact O-ND2 2.81Å; L65-N89 PolarHBondContact N-O 3.23Å; R86-N89 HydrophobicContact CB-CB 4.37Å; R86-N89 WeakPolarHBondContact CD-OD1 3.32Å; R86-N89 PolarHBondContact O-N 3.41Å; P87-N89 PolarHBondContact O-N 3.46Å; N89-V119 HydrophobicContact CB-CG1 4.24Å; N89-E123 PolarHBondContact ND2-OE1 3.41Å
90F96.4Very high92.5Very high16 Ų1652.6 Ų52.67%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-89.9109.6167.8-67.4-100.7000108.5L65 M73 V76 R77 F85 R86 P87 D88 F92L65-F90 HydrophobicContact CB-CD1 4.09Å; L65-F90 HydrophobicContact CB-CE1 4.39Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.47Å; L65-F90 HydrophobicContact CD2-CD1 4.35Å; L65-F90 HydrophobicContact CD2-CE1 3.82Å; L65-F90 HydrophobicContact CD2-CZ 4.3Å; L65-F90 HydrophobicContact CG-CE1 4.47Å; M73-F90 HydrophobicContact CB-CD1 4.26Å; M73-F90 HydrophobicContact CG-CD1 4.49Å; M73-F90 HydrophobicContact SD-CD1 3.73Å; V76-F90 HydrophobicContact CG1-CE1 4.28Å; R77-F90 HydrophobicContact CG-CD1 4.31Å; R77-F90 HydrophobicContact CG-CE1 3.68Å; R77-F90 HydrophobicContact CG-CE2 4.47Å; R77-F90 HydrophobicContact CG-CZ 3.77Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.67Å; F85-F90 HydrophobicContact CD2-CZ 4.22Å; F85-F90 HydrophobicContact CG-CE2 4.48Å; F85-F90 HydrophobicContact CG-CZ 4.21Å; R86-F90 WeakPolarHBondContact O-CD2 3.09Å; P87-F90 WeakPolarHBondContact O-CD2 3.45Å; P87-F90 PolarHBondContact O-N 3.36Å; D88-F90 VanDerWaalsContact C-N 3.34Å; F90-F92 HydrophobicContact CB-CD1 4.38Å; F90-F92 HydrophobicContact CB-CE1 4.48Å
91V97Very high92.8Very high14 Ų1448.4 Ų48.49%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-115.7115.7177.8-174.60000108L65 V66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 2.8Å; V66-V91 WeakPolarHBondContact CA-O 3.25Å; D67-V91 PolarHBondContact N-O 3.25Å; V91-L112 HydrophobicContact CG1-CD1 3.8Å; V91-L112 HydrophobicContact CG1-CD2 4.38Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; V91-V116 HydrophobicContact CB-CG2 3.96Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; V91-V119 HydrophobicContact CG2-CB 4.34Å; V91-V119 HydrophobicContact CG2-CG2 3.64Å
92F95.3Very high93.1Very high63 Ų6346.9 Ų46.928%0.27626%0.262SS..EExtended strand (participates in β ladder)trans-143.5148.4-177.160.4-85.4000115.1D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.38Å; D67-F92 VanDerWaalsContact O-CB 3.27Å; D67-F92 WeakPolarHBondContact O-CB 3.4Å; P70-F92 HydrophobicContact CB-CD2 3.84Å; P70-F92 HydrophobicContact CB-CE2 3.89Å; M73-F92 HydrophobicContact CB-CD1 4.28Å; M73-F92 HydrophobicContact CG-CB 3.77Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.83Å; F90-F92 HydrophobicContact CB-CD1 4.38Å; F90-F92 HydrophobicContact CB-CE1 4.48Å
93G92.5Very high93.3Very high15 Ų1548.8 Ų48.816%0.15527%0.268CS..  trans-85-172176.200000113.4D67 L68D67-G93 PolarHBondContact O-N 3.21Å; D67-G93 VanDerWaalsContact O-N 3.08Å; L68-G93 CarbonylContact O-C 3.5Å; L68-G93 VanDerWaalsContact O-CA 3.28Å; L68-G93 WeakPolarHBondContact O-CA 3.41Å
94Q89Confident93.6Very high152 Ų15240.5 Ų40.571%0.7123%0.23SC*.SBendtrans-112.2-8.4174.2-63.3-63.4-45.100112.8L68L68-Q94 PolarHBondContact O-N 3.48Å
95S87.1Confident93.8Very high54 Ų5441.1 Ų41.138%0.37823%0.232SC..SBendtrans-137.2120.9-168-68.40000109.7L68 E108L68-S95 WeakPolarHBondContact CB-O 3.45Å; L68-S95 CarbonylContact O-C 3.22Å; L68-S95 PolarHBondContact O-N 3.14Å; L68-S95 VanDerWaalsContact O-N 3.15Å; S95-E108 VanDerWaalsContact CB-CD 3.44Å; S95-E108 VanDerWaalsContact CB-OE1 3.29Å; S95-E108 WeakPolarHBondContact CB-OE1 3.45Å; S95-E108 VanDerWaalsContact CB-OE2 3.25Å; S95-E108 WeakPolarHBondContact CB-OE2 3.28Å
96G87.3Confident93.8Very high12 Ų1244.8 Ų44.812%0.12425%0.246CC..  trans-71.3162.2179.900000114.5G98 K103G96-G98 PolarHBondContact O-N 3.41Å; G96-K103 PolarHBondContact O-NZ 3.2Å
97A89.1Confident93.9Very high2 Ų242.3 Ų42.32%0.01724%0.242CC..  trans-74.5-9.2172.900000113.7L68 N99 N100L68-A97 HydrophobicContact CD1-CB 3.73Å; A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.94Å; A97-N100 WeakPolarHBondContact O-CB 3.38Å; A97-N100 PolarHBondContact O-N 3.14Å
98G89.8Confident94Very high63 Ų6339.9 Ų39.965%0.64922%0.222SC*.THydrogen-bonded Turntrans57.736.917900000113.8G96 N100G96-G98 PolarHBondContact O-N 3.41Å; G98-N100 PolarHBondContact O-N 3.11Å
99N92.1Very high94Very high76 Ų7634 Ų3441%0.40619%0.19SC..THydrogen-bonded Turntrans58.221.7-173.3-64-35.8000115.4A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.94Å; N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.17Å; N99-V180 WeakPolarHBondContact O-CG2 3.42Å; N99-N184 PolarHBondContact O-ND2 3.48Å
100N95.5Very high93.9Very high9 Ų935.6 Ų35.65%0.04821%0.205CC..  trans-107.9120.3179.9-175.4-42.7000110.5A97 G98 A102 K103 G104 W397A97-N100 WeakPolarHBondContact O-CB 3.38Å; A97-N100 PolarHBondContact O-N 3.14Å; G98-N100 PolarHBondContact O-N 3.11Å; N100-A102 WeakPolarHBondContact OD1-CA 3.39Å; N100-A102 WeakPolarHBondContact OD1-CB 3.38Å; N100-A102 PolarHBondContact OD1-N 3.21Å; N100-K103 HydrophobicContact CB-CB 3.94Å; N100-K103 PolarHBondContact O-N 3.13Å; N100-K103 PolarHBondContact OD1-N 3.01Å; N100-K103 VanDerWaalsContact OD1-N 3.09Å; N100-G104 PolarHBondContact O-N 3.01Å; N100-G104 VanDerWaalsContact O-N 3.1Å; N100-W397 VanDerWaalsContact ND2-C 3.3Å; N100-W397 PolarHBondContact ND2-O 3.06Å
101W97.5Very high93.9Very high4 Ų442.2 Ų42.22%0.01524%0.236CC..Hα-helixtrans-59.9-44.5177.2178.2103.8000112.1K103 G104 H105 Y106 S145 G146 T149 N184 L187 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.31Å; W101-K103 PolarHBondContact O-N 3.45Å; W101-G104 CarbonylContact O-C 3.44Å; W101-G104 WeakPolarHBondContact O-CA 3.43Å; W101-G104 PolarHBondContact O-N 2.78Å; W101-H105 HydrophobicContact CD2-CB 4.21Å; W101-H105 HydrophobicContact CE3-CB 4.07Å; W101-H105 HydrophobicContact CH2-CB 3.88Å; W101-H105 AromaticContact CH2-CD2 3.73Å; W101-H105 AromaticContact CH2-CG 3.48Å; W101-H105 VanDerWaalsContact CH2-CG 3.48Å; W101-H105 AromaticContact CH2-ND1 3.69Å; W101-H105 HydrophobicContact CZ2-CB 4.04Å; W101-H105 AromaticContact CZ2-CE1 3.83Å; W101-H105 AromaticContact CZ2-CG 3.62Å; W101-H105 AromaticContact CZ2-ND1 3.36Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.29Å; W101-H105 HydrophobicContact CZ3-CB 3.91Å; W101-H105 WeakPolarHBondContact O-CB 3.45Å; W101-H105 PolarHBondContact O-N 3.21Å; W101-Y106 HydrophobicContact CH2-CE2 4.25Å; W101-Y106 HydrophobicContact CZ3-CD2 4.35Å; W101-Y106 AromaticContact CZ3-CE2 3.71Å; W101-Y106 HydrophobicContact CZ3-CE2 3.71Å; W101-S145 PolarHBondContact NE1-O 3.06Å; W101-G146 VanDerWaalsContact CD1-N 3.26Å; W101-G146 WeakPolarHBondContact O-CA 3.25Å; W101-T149 PolarHBondContact NE1-OG1 3.15Å; W101-T149 VanDerWaalsContact NE1-OG1 3.16Å; W101-N184 HydrophobicContact CB-CB 4.14Å; W101-N184 WeakPolarHBondContact CB-OD1 3.38Å; W101-N184 PolarHBondContact N-OD1 2.89Å; W101-L187 HydrophobicContact CB-CD1 4.37Å; W101-L187 HydrophobicContact CD2-CB 3.75Å; W101-L187 HydrophobicContact CD2-CD1 3.89Å; W101-L187 HydrophobicContact CD2-CG 4.42Å; W101-L187 HydrophobicContact CE3-CB 4.15Å; W101-L187 HydrophobicContact CE3-CD1 3.61Å; W101-L187 HydrophobicContact CE3-CG 4.38Å; W101-L187 HydrophobicContact CG-CB 4.02Å; W101-L187 HydrophobicContact CG-CD1 4.2Å; W101-L187 HydrophobicContact CZ2-CB 4.22Å; W101-L187 HydrophobicContact CZ3-CD1 4.23Å; W101-Q191 HydrophobicContact CZ2-CG 4.25Å; W101-Y398 HydrophobicContact CB-CE1 4.03Å; W101-M403 HydrophobicContact CE3-SD 4.18Å; W101-M403 HydrophobicContact CZ3-CE 4.14Å; W101-M403 HydrophobicContact CZ3-SD 3.97Å
102A97.9Very high93.8Very high0 Ų042.5 Ų42.50%024%0.237CC..Hα-helixtrans-63.4-38.4-179.300000111.4N100 G104 H105 Y106 Y398 E401 M403N100-A102 WeakPolarHBondContact OD1-CA 3.39Å; N100-A102 WeakPolarHBondContact OD1-CB 3.38Å; N100-A102 PolarHBondContact OD1-N 3.21Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.05Å; A102-H105 PolarHBondContact O-N 3.03Å; A102-H105 VanDerWaalsContact O-N 3.14Å; A102-Y106 HydrophobicContact CB-CD2 4.12Å; A102-Y106 WeakPolarHBondContact O-CB 3.21Å; A102-Y106 PolarHBondContact O-N 3.26Å; A102-Y398 HydrophobicContact CB-CD1 3.73Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; A102-E401 HydrophobicContact CB-CB 4Å; A102-E401 HydrophobicContact CB-CG 4.42Å; A102-M403 HydrophobicContact CB-CB 4.12Å; A102-M403 HydrophobicContact CB-SD 3.94Å
103K96.5Very high93.9Very high47 Ų4740 Ų4020%0.20423%0.227CC..Iπ-helixtrans-63.1-41.9173.3-163.9171.4-164.4-125.30111.9G96 N100 W101 H105 T107 E108 E401G96-K103 PolarHBondContact O-NZ 3.2Å; N100-K103 HydrophobicContact CB-CB 3.94Å; N100-K103 PolarHBondContact O-N 3.13Å; N100-K103 PolarHBondContact OD1-N 3.01Å; N100-K103 VanDerWaalsContact OD1-N 3.09Å; W101-K103 VanDerWaalsContact C-N 3.31Å; W101-K103 PolarHBondContact O-N 3.45Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 3.08Å; K103-T107 WeakPolarHBondContact CA-OG1 3.39Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.39Å; K103-T107 PolarHBondContact O-N 3.44Å; K103-T107 PolarHBondContact O-OG1 2.9Å; K103-E108 HydrophobicContact CD-CG 4.16Å; K103-E108 WeakPolarHBondContact CE-OE1 3.26Å; K103-E108 HydrophobicContact CG-CG 3.81Å; K103-E108 IonicContact NZ-OE1 3.58Å; K103-E108 PolarHBondContact NZ-OE1 3.25Å; K103-E108 PolarHBondContact O-N 3.16Å; K103-E401 HydrophobicContact CB-CG 4.1Å
104G96.7Very high94.1Very high0 Ų044.3 Ų44.30%025%0.246CC..Iπ-helixtrans-67.7-22.417400000114.1N100 W101 A102 G109 G146 M147N100-G104 PolarHBondContact O-N 3.01Å; N100-G104 VanDerWaalsContact O-N 3.1Å; W101-G104 CarbonylContact O-C 3.44Å; W101-G104 WeakPolarHBondContact O-CA 3.43Å; W101-G104 PolarHBondContact O-N 2.78Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.05Å; G104-G109 WeakPolarHBondContact O-CA 3.33Å; G104-G146 CarbonylContact O-C 3.58Å; G104-M147 WeakPolarHBondContact O-CA 3.42Å; G104-M147 VanDerWaalsContact O-CB 3.28Å; G104-M147 WeakPolarHBondContact O-CB 3.3Å; G104-M147 PolarHBondContact O-N 3.2Å
105H97.6Very high94.5Very high19 Ų1940.1 Ų40.19%0.08823%0.234CC..Iπ-helixtrans-102.6-43.8-173.9-163.390.8000113.1W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.21Å; W101-H105 HydrophobicContact CE3-CB 4.07Å; W101-H105 HydrophobicContact CH2-CB 3.88Å; W101-H105 AromaticContact CH2-CD2 3.73Å; W101-H105 AromaticContact CH2-CG 3.48Å; W101-H105 VanDerWaalsContact CH2-CG 3.48Å; W101-H105 AromaticContact CH2-ND1 3.69Å; W101-H105 HydrophobicContact CZ2-CB 4.04Å; W101-H105 AromaticContact CZ2-CE1 3.83Å; W101-H105 AromaticContact CZ2-CG 3.62Å; W101-H105 AromaticContact CZ2-ND1 3.36Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.29Å; W101-H105 HydrophobicContact CZ3-CB 3.91Å; W101-H105 WeakPolarHBondContact O-CB 3.45Å; W101-H105 PolarHBondContact O-N 3.21Å; A102-H105 PolarHBondContact O-N 3.03Å; A102-H105 VanDerWaalsContact O-N 3.14Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 3.08Å; H105-G146 PolarHBondContact ND1-O 2.97Å; H105-G146 VanDerWaalsContact ND1-O 3.14Å; H105-L150 WeakPolarHBondContact O-CD2 3.29Å
106Y96.4Very high95Very high85 Ų8537.5 Ų37.533%0.33322%0.216SC..Iπ-helixtrans-103-23-170.2-69.2-60.8000114.5W101 A102 A110 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.25Å; W101-Y106 HydrophobicContact CZ3-CD2 4.35Å; W101-Y106 AromaticContact CZ3-CE2 3.71Å; W101-Y106 HydrophobicContact CZ3-CE2 3.71Å; A102-Y106 HydrophobicContact CB-CD2 4.12Å; A102-Y106 WeakPolarHBondContact O-CB 3.21Å; A102-Y106 PolarHBondContact O-N 3.26Å; Y106-A110 WeakPolarHBondContact O-CB 3.46Å; Y106-M403 HydrophobicContact CD2-CB 4.02Å; Y106-M403 HydrophobicContact CD2-CG 4.46Å; Y106-M403 HydrophobicContact CE2-CB 3.82Å; Y106-M403 HydrophobicContact CE2-CG 3.8Å; Y106-M403 HydrophobicContact CE2-SD 4.36Å; Y106-E407 VanDerWaalsContact OH-CD 3.28Å; Y106-E407 PolarHBondContact OH-OE2 3.41Å
107T95.2Very high95.6Very high38 Ų3837.1 Ų37.123%0.23321%0.211CC..Iπ-helixtrans-118.1-93.7-175.958.80000111.2K103 G109 A110 E111 E401K103-T107 WeakPolarHBondContact CA-OG1 3.39Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.39Å; K103-T107 PolarHBondContact O-N 3.44Å; K103-T107 PolarHBondContact O-OG1 2.9Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3Å; T107-A110 WeakPolarHBondContact O-CB 3.35Å; T107-A110 PolarHBondContact O-N 2.93Å; T107-E111 PolarHBondContact O-N 3.26Å; T107-E401 HydrophobicContact CG2-CB 4.25Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.33Å; T107-E401 PolarHBondContact OG1-OE2 3.35Å
108E94.6Very high96Very high40 Ų4040.8 Ų40.819%0.18723%0.23CC..Hα-helixtrans-58.8-40.6-172.5-57-72.1-178.800112.3L68 S95 K103 L112L68-E108 HydrophobicContact CD1-CB 3.9Å; L68-E108 HydrophobicContact CD2-CB 3.99Å; L68-E108 WeakPolarHBondContact CD2-O 3.47Å; L68-E108 HydrophobicContact CG-CB 4.47Å; S95-E108 VanDerWaalsContact CB-CD 3.44Å; S95-E108 VanDerWaalsContact CB-OE1 3.29Å; S95-E108 WeakPolarHBondContact CB-OE1 3.45Å; S95-E108 VanDerWaalsContact CB-OE2 3.25Å; S95-E108 WeakPolarHBondContact CB-OE2 3.28Å; K103-E108 HydrophobicContact CD-CG 4.16Å; K103-E108 WeakPolarHBondContact CE-OE1 3.26Å; K103-E108 HydrophobicContact CG-CG 3.81Å; K103-E108 IonicContact NZ-OE1 3.58Å; K103-E108 PolarHBondContact NZ-OE1 3.25Å; K103-E108 PolarHBondContact O-N 3.16Å; E108-L112 PolarHBondContact O-N 3.38Å
109G94.1Very high96.4Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-74.3-32.1176.800000113.8G104 T107 E111 L112 V113G104-G109 WeakPolarHBondContact O-CA 3.33Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3Å; G109-E111 VanDerWaalsContact C-N 3.32Å; G109-L112 PolarHBondContact O-N 3.2Å; G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 PolarHBondContact O-N 3.48Å
110A95.1Very high96.7Very high39 Ų3934.7 Ų34.732%0.32218%0.183SC..Hα-helixtrans-67-34.2173.600000111.7Y106 T107 L112 V113Y106-A110 WeakPolarHBondContact O-CB 3.46Å; T107-A110 WeakPolarHBondContact O-CB 3.35Å; T107-A110 PolarHBondContact O-N 2.93Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 2.75Å; A110-V113 WeakPolarHBondContact O-CG1 3.36Å
111E94.9Very high96.9Very high154 Ų15437.6 Ų37.672%0.7219%0.193SC*.Hα-helixtrans-67.7-31.9174.4-70-174.4-176.400112.5T107 G109T107-E111 PolarHBondContact O-N 3.26Å; G109-E111 VanDerWaalsContact C-N 3.32Å
112L95.7Very high96.9Very high20 Ų2043.8 Ų43.811%0.10522%0.22CC..Hα-helixtrans-93.5-18.7-176.9-165.463.2000113.7L68 V91 E108 G109 A110 D114 S115 V116 M147L68-L112 HydrophobicContact CD2-CB 4.3Å; L68-L112 HydrophobicContact CD2-CD2 3.89Å; V91-L112 HydrophobicContact CG1-CD1 3.8Å; V91-L112 HydrophobicContact CG1-CD2 4.38Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; E108-L112 PolarHBondContact O-N 3.38Å; G109-L112 PolarHBondContact O-N 3.2Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 2.75Å; L112-D114 PolarHBondContact O-N 3.28Å; L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 2.86Å; L112-S115 VanDerWaalsContact O-N 3.14Å; L112-V116 HydrophobicContact CG-CG2 4.31Å; L112-V116 PolarHBondContact O-N 3.49Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.81Å; L112-M147 HydrophobicContact CD2-SD 4.29Å; L112-M147 HydrophobicContact CG-CE 3.89Å
113V97Very high96.8Very high12 Ų1243.8 Ų43.87%0.07322%0.22CC..Hα-helixtrans-57.3-44.2-16974.10000113.1G109 A110 S115 V116 L117 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 PolarHBondContact O-N 3.48Å; A110-V113 WeakPolarHBondContact O-CG1 3.36Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.49Å; V113-V116 WeakPolarHBondContact O-CB 3.49Å; V113-V116 PolarHBondContact O-N 2.83Å; V113-V116 VanDerWaalsContact O-N 3.1Å; V113-L117 HydrophobicContact CG2-CD1 4.07Å; V113-L117 HydrophobicContact CG2-CG 4.29Å; V113-L117 WeakPolarHBondContact O-CG 3.24Å; V113-L117 PolarHBondContact O-N 3.34Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.42Å; V113-L150 HydrophobicContact CG2-CD2 3.91Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; V113-L151 HydrophobicContact CG2-CD2 3.81Å; V113-K154 HydrophobicContact CG2-CG 4.24Å
114D97.4Very high96.8Very high105 Ų10541.9 Ų41.956%0.56121%0.213SC*.Hα-helixtrans-63.3-38-178-72.7-27.7000111.6L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3.28Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.28Å; D114-L117 PolarHBondContact O-N 2.75Å; D114-D118 PolarHBondContact O-N 3.09Å
115S97.4Very high96.7Very high63 Ų6349.3 Ų49.344%0.44125%0.248SC..Hα-helixtrans-66-37.4176.6-62.90000111.6L112 V113 V119L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 2.86Å; L112-S115 VanDerWaalsContact O-N 3.14Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.49Å; S115-V119 PolarHBondContact O-N 2.65Å
116V98.1Very high96.5Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-68.6-46.4174.9-1800000110.3I64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151I64-V116 HydrophobicContact CG2-CG1 4.38Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.64Å; V66-V116 HydrophobicContact CG2-CG2 3.94Å; V91-V116 HydrophobicContact CB-CG2 3.96Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 4.31Å; L112-V116 PolarHBondContact O-N 3.49Å; V113-V116 WeakPolarHBondContact O-CB 3.49Å; V113-V116 PolarHBondContact O-N 2.83Å; V113-V116 VanDerWaalsContact O-N 3.1Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.28Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.76Å; V116-V119 WeakPolarHBondContact O-CA 3.36Å; V116-V119 WeakPolarHBondContact O-CB 3.19Å; V116-V119 PolarHBondContact O-N 2.79Å; V116-V120 HydrophobicContact CG1-CG2 4.18Å; V116-V120 WeakPolarHBondContact O-CG2 3.44Å; V116-V120 PolarHBondContact O-N 3.18Å; V116-M147 HydrophobicContact CG2-CE 3.61Å; V116-L151 HydrophobicContact CB-CD2 3.83Å; V116-L151 HydrophobicContact CG1-CD1 4.06Å; V116-L151 HydrophobicContact CG1-CD2 3.54Å; V116-L151 HydrophobicContact CG1-CG 4.48Å
117L98.5Very high96.4Very high4 Ų447.2 Ų47.22%0.02125%0.247CC..Hα-helixtrans-60.3-36.2179.6-70.6172.6000111.9V113 D114 V119 V120 R121 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.07Å; V113-L117 HydrophobicContact CG2-CG 4.29Å; V113-L117 WeakPolarHBondContact O-CG 3.24Å; V113-L117 PolarHBondContact O-N 3.34Å; D114-L117 PolarHBondContact O-N 2.75Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 2.84Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 3.36Å; L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 3.23Å; L117-K154 HydrophobicContact CD1-CB 3.86Å; L117-K154 HydrophobicContact CD1-CG 4.28Å; L117-K154 HydrophobicContact CD2-CB 4Å; L117-K154 HydrophobicContact CG-CB 4.49Å; L117-I155 HydrophobicContact CD2-CG1 3.94Å
118D98.4Very high96.3Very high79 Ų7952.4 Ų52.442%0.42227%0.274SS..Hα-helixtrans-60.2-38.1172.7-81-12.9000113D114 V116 R121 K122D114-D118 PolarHBondContact O-N 3.09Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-NH1 3.31Å; D118-R121 PolarHBondContact OD1-NH1 3.37Å; D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.26Å; D118-K122 PolarHBondContact O-N 2.92Å
119V98.4Very high96.1Very high11 Ų1153.6 Ų53.67%0.06729%0.286CS..Hα-helixtrans-73-39.9174.6-179.20000110.7I64 N89 V91 S115 V116 L117 R121 K122 E123I64-V119 HydrophobicContact CD1-CB 4.49Å; I64-V119 HydrophobicContact CD1-CG1 3.94Å; I64-V119 HydrophobicContact CG1-CG1 3.88Å; I64-V119 HydrophobicContact CG2-CB 4.43Å; I64-V119 HydrophobicContact CG2-CG1 4Å; N89-V119 HydrophobicContact CB-CG1 4.24Å; V91-V119 HydrophobicContact CG2-CB 4.34Å; V91-V119 HydrophobicContact CG2-CG2 3.64Å; S115-V119 PolarHBondContact O-N 2.65Å; V116-V119 WeakPolarHBondContact O-CA 3.36Å; V116-V119 WeakPolarHBondContact O-CB 3.19Å; V116-V119 PolarHBondContact O-N 2.79Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 2.84Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 3.48Å; V119-K122 PolarHBondContact O-N 2.97Å; V119-E123 PolarHBondContact O-N 3.39Å
120V98.5Very high96.2Very high0 Ų054.3 Ų54.30%029%0.29CS..Hα-helixtrans-56.9-47.2174.7174.70000110.4I7 I64 V116 L117 E123 A124 F133 I155 Y159I7-V120 HydrophobicContact CD1-CG2 4.02Å; I64-V120 VanDerWaalsContact CD1-CA 3.48Å; I64-V120 HydrophobicContact CD1-CB 4.1Å; I64-V120 HydrophobicContact CD1-CG2 3.57Å; V116-V120 HydrophobicContact CG1-CG2 4.18Å; V116-V120 WeakPolarHBondContact O-CG2 3.44Å; V116-V120 PolarHBondContact O-N 3.18Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 3.36Å; V120-E123 PolarHBondContact O-N 3.47Å; V120-A124 WeakPolarHBondContact O-CB 3.25Å; V120-A124 PolarHBondContact O-N 2.9Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.51Å; V120-F133 HydrophobicContact CG1-CZ 4.15Å; V120-I155 HydrophobicContact CG1-CD1 4.26Å; V120-I155 HydrophobicContact CG1-CG1 4.22Å; V120-I155 HydrophobicContact CG2-CD1 4.28Å; V120-Y159 HydrophobicContact CG1-CE2 4.5Å
121R98.1Very high96Very high69 Ų6953.3 Ų53.326%0.2628%0.278SS..Hα-helixtrans-59.8-47.5176.9-70.8174.1-160.9126.20.5111.5L117 D118 V119 E123 A124 E125 E158L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 3.23Å; D118-R121 IonicContact OD1-NH1 3.31Å; D118-R121 PolarHBondContact OD1-NH1 3.37Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 3.48Å; R121-E123 PolarHBondContact O-N 3.37Å; R121-A124 PolarHBondContact O-N 3Å; R121-E125 VanDerWaalsContact O-CB 3.32Å; R121-E125 WeakPolarHBondContact O-CB 3.48Å; R121-E125 VanDerWaalsContact O-CG 3.24Å; R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 3.45Å; R121-E158 IonicContact CZ-OE1 3.5Å; R121-E158 IonicContact CZ-OE2 3.51Å; R121-E158 IonicContact NE-OE1 3.97Å; R121-E158 IonicContact NE-OE2 2.72Å; R121-E158 PolarHBondContact NE-OE2 2.9Å; R121-E158 IonicContact NH2-OE1 2.73Å; R121-E158 PolarHBondContact NH2-OE1 2.7Å; R121-E158 IonicContact NH2-OE2 3Å; R121-E158 PolarHBondContact NH2-OE2 2.65Å
122K97.4Very high96.1Very high134 Ų13446 Ų4658%0.58324%0.244SC*.Hα-helixtrans-59.1-45177.8-72.8168.1-173.5168.80112.5D118 V119 S126D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.26Å; D118-K122 PolarHBondContact O-N 2.92Å; V119-K122 PolarHBondContact O-N 2.97Å; K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.44Å; K122-S126 VanDerWaalsContact O-N 3.1Å
123E96.7Very high96.2Very high1 Ų145 Ų451%0.00524%0.239CC..Hα-helixtrans-69.1-39.8178.1-72.2-61.6137.400111.8V5 N52 I64 R86 N89 V119 V120 R121 S126 C127V5-E123 HydrophobicContact CG1-CB 4.04Å; V5-E123 HydrophobicContact CG2-CB 3.98Å; N52-E123 PolarHBondContact ND2-OE2 2.95Å; I64-E123 HydrophobicContact CD1-CB 4.29Å; I64-E123 HydrophobicContact CD1-CG 4.12Å; I64-E123 HydrophobicContact CG1-CG 4.13Å; R86-E123 IonicContact CZ-OE1 3.22Å; R86-E123 IonicContact NH1-OE1 2.72Å; R86-E123 PolarHBondContact NH1-OE1 2.87Å; N89-E123 PolarHBondContact ND2-OE1 3.41Å; V119-E123 PolarHBondContact O-N 3.39Å; V120-E123 PolarHBondContact O-N 3.47Å; R121-E123 PolarHBondContact O-N 3.37Å; E123-S126 PolarHBondContact O-N 3.36Å; E123-S126 PolarHBondContact O-OG 3.22Å; E123-C127 PolarHBondContact O-N 2.99Å; E123-C127 PolarHBondContact O-SG 3.44Å
124A96.5Very high96.2Very high7 Ų744.5 Ų44.56%0.05824%0.236CC..Hα-helixtrans-63.1-44.3175.900000112.5V120 R121 S126 C127 L130 F133 Y159V120-A124 WeakPolarHBondContact O-CB 3.25Å; V120-A124 PolarHBondContact O-N 2.9Å; R121-A124 PolarHBondContact O-N 3Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 3.5Å; A124-C127 WeakPolarHBondContact O-CB 3.47Å; A124-C127 PolarHBondContact O-N 2.93Å; A124-L130 HydrophobicContact CB-CD2 3.83Å; A124-F133 HydrophobicContact CB-CE1 4.46Å; A124-F133 HydrophobicContact CB-CZ 4.37Å; A124-Y159 HydrophobicContact CB-CE1 4.27Å
125E95.5Very high96.2Very high155 Ų15539.6 Ų39.672%0.72421%0.209SC*.Hα-helixtrans-67.9-25.6176.4-72.7173.3-179.400112.6R121 C127R121-E125 VanDerWaalsContact O-CB 3.32Å; R121-E125 WeakPolarHBondContact O-CB 3.48Å; R121-E125 VanDerWaalsContact O-CG 3.24Å; R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 3.45Å; E125-C127 PolarHBondContact O-N 3.47Å
126S93Very high96.3Very high45 Ų4536.6 Ų36.632%0.31519%0.188SC..THydrogen-bonded Turntrans-77.8-3.517480.50000114.1R62 K122 E123 A124R62-S126 PolarHBondContact NH1-O 3.34Å; R62-S126 PolarHBondContact NH1-OG 2.87Å; R62-S126 PolarHBondContact NH2-O 2.87Å; K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.44Å; K122-S126 VanDerWaalsContact O-N 3.1Å; E123-S126 PolarHBondContact O-N 3.36Å; E123-S126 PolarHBondContact O-OG 3.22Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 3.5Å
127C94.8Very high96.3Very high15 Ų1536.6 Ų36.610%0.10119%0.188CC..  trans-88.5130.9174.6-61.20000109.7E3 R62 E123 A124 E125 C129 L130E3-C127 HydrophobicContact CB-CB 4.06Å; E3-C127 VanDerWaalsContact OE2-C 3.3Å; E3-C127 VanDerWaalsContact OE2-CA 3.3Å; E3-C127 WeakPolarHBondContact OE2-CA 3.44Å; E3-C127 WeakPolarHBondContact OE2-CB 3.36Å; R62-C127 PolarHBondContact NH1-SG 2.84Å; R62-C127 VanDerWaalsContact NH1-SG 3.4Å; E123-C127 PolarHBondContact O-N 2.99Å; E123-C127 PolarHBondContact O-SG 3.44Å; A124-C127 WeakPolarHBondContact O-CB 3.47Å; A124-C127 PolarHBondContact O-N 2.93Å; E125-C127 PolarHBondContact O-N 3.47Å; C127-C129 VanDerWaalsContact C-N 3.26Å; C127-C129 PolarHBondContact O-N 3.31Å; C127-L130 HydrophobicContact CB-CB 3.98Å
128D92.2Very high96.2Very high148 Ų14837 Ų3779%0.79119%0.192SC*.SBendtrans-64.1-35.9168.8-69.4-33.4000111.2E3E3-D128 WeakPolarHBondContact OE2-CA 3.39Å; E3-D128 PolarHBondContact OE2-N 3.1Å
129C90.9Very high96.1Very high64 Ų6433.5 Ų33.543%0.43217%0.173SC..SBendtrans-151.785.1178.2-174.80000110.4M1 E3 C127 Q131M1-C129 WeakPolarHBondContact O-CB 3.4Å; M1-C129 PolarHBondContact O-SG 3.31Å; M1-C129 VanDerWaalsContact O-SG 3.41Å; E3-C129 PolarHBondContact N-O 3.5Å; E3-C129 PolarHBondContact OE2-N 2.97Å; C127-C129 VanDerWaalsContact C-N 3.26Å; C127-C129 PolarHBondContact O-N 3.31Å; C129-Q131 PolarHBondContact O-N 2.87Å
130L94.7Very high95.8Very high16 Ų1633 Ų338%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-61117.3172.6-178.968.7000110.5V5 A124 C127 G132 F133 Y159 R162V5-L130 HydrophobicContact CG2-CD1 3.85Å; A124-L130 HydrophobicContact CB-CD2 3.83Å; C127-L130 HydrophobicContact CB-CB 3.98Å; L130-G132 WeakPolarHBondContact CD1-O 3.27Å; L130-F133 HydrophobicContact CD2-CE1 4.4Å; L130-F133 HydrophobicContact CD2-CE2 4.03Å; L130-F133 HydrophobicContact CD2-CZ 3.69Å; L130-Y159 HydrophobicContact CD2-CD1 4.35Å; L130-Y159 HydrophobicContact CD2-CE1 4.42Å; L130-R162 HydrophobicContact CD2-CG 4.23Å; L130-R162 WeakPolarHBondContact O-CD 3.27Å; L130-R162 PolarHBondContact O-NE 2.9Å
131Q92.5Very high95.4Very high17 Ų1733.8 Ų33.88%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-81.4-42.1172176.5167.513.900111.3R2 E3 I4 C129 I163 D249R2-Q131 HydrophobicContact CB-CB 4.17Å; E3-Q131 WeakPolarHBondContact O-CB 3.38Å; E3-Q131 PolarHBondContact O-N 3.06Å; I4-Q131 HydrophobicContact CG1-CB 4.4Å; C129-Q131 PolarHBondContact O-N 2.87Å; Q131-I163 HydrophobicContact CG-CG2 4.18Å; Q131-I163 PolarHBondContact O-N 2.92Å; Q131-D249 VanDerWaalsContact NE2-CB 3.29Å
132G95.5Very high95.1Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans160.7-153.3173.400000113I4 V5 L130 I163I4-G132 WeakPolarHBondContact CA-O 3.36Å; V5-G132 PolarHBondContact N-O 3.17Å; L130-G132 WeakPolarHBondContact CD1-O 3.27Å; G132-I163 CarbonylContact C-O 3.51Å; G132-I163 VanDerWaalsContact CA-O 3.29Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å
133F97.9Very high95Very high1 Ų124.9 Ų24.90%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-120.1146-167.6-56.9-86.4000110.4V5 I7 V120 A124 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.79Å; V5-F133 HydrophobicContact CB-CE1 4.01Å; V5-F133 HydrophobicContact CG1-CD1 4.17Å; V5-F133 HydrophobicContact CG1-CE1 4.36Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.24Å; I7-F133 HydrophobicContact CD1-CD1 4.34Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.51Å; V120-F133 HydrophobicContact CG1-CZ 4.15Å; A124-F133 HydrophobicContact CB-CE1 4.46Å; A124-F133 HydrophobicContact CB-CZ 4.37Å; L130-F133 HydrophobicContact CD2-CE1 4.4Å; L130-F133 HydrophobicContact CD2-CE2 4.03Å; L130-F133 HydrophobicContact CD2-CZ 3.69Å; F133-I155 HydrophobicContact CB-CG2 4.44Å; F133-I155 HydrophobicContact CD1-CG2 4.09Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.18Å; F133-I155 HydrophobicContact CE2-CG2 3.44Å; F133-I155 VanDerWaalsContact CE2-CG2 3.44Å; F133-I155 HydrophobicContact CG-CG2 3.69Å; F133-I155 HydrophobicContact CZ-CG2 3.85Å; F133-Y159 HydrophobicContact CE2-CD1 4.32Å; F133-Y159 AromaticContact CE2-CD2 3.72Å; F133-Y159 HydrophobicContact CE2-CD2 3.72Å; F133-Y159 HydrophobicContact CE2-CE2 4.41Å; F133-Y159 AromaticContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CZ-CD1 4.24Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.44Å; F133-Y159 AromaticContact CZ-CE2 3.81Å; F133-Y159 HydrophobicContact CZ-CE2 3.81Å; F133-Y159 AromaticContact CZ-CG 3.81Å; F133-Y159 HydrophobicContact CZ-CG 3.81Å; F133-R162 HydrophobicContact CD2-CB 4.38Å; F133-R162 HydrophobicContact CE2-CB 4.16Å; F133-I163 PolarHBondContact N-O 2.94Å; F133-M164 HydrophobicContact CB-CE 3.83Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.25Å; F133-M164 HydrophobicContact CG-CE 4.27Å; F133-N165 PolarHBondContact O-N 2.86Å
134Q97.5Very high95Very high0 Ų025 Ų250%015%0.146CC..EExtended strand (participates in β ladder)trans-124.4122.2172.8-178.2179.7-54.200108.3I4 V5 H6 I7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.73Å; V5-Q134 PolarHBondContact O-N 3.08Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.41Å; H6-Q134 PolarHBondContact CD2-NE2 3.14Å; H6-Q134 PolarHBondContact CD2-O 2.84Å; H6-Q134 VanDerWaalsContact CD2-O 3.29Å; H6-Q134 PolarHBondContact NE2-NE2 3.28Å; I7-Q134 PolarHBondContact N-O 3.27Å; Y50-Q134 PolarHBondContact OH-OE1 3.25Å; Q134-N165 CarbonylContact C-O 3.43Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.2Å; Q134-F167 VanDerWaalsContact CD-CE2 3.48Å; Q134-F167 HydrophobicContact CG-CD2 3.95Å; Q134-F167 HydrophobicContact CG-CE2 3.95Å
135L98.5Very high95Very high2 Ų224.7 Ų24.71%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-105.7134.5173.8-177.471.6000110.4I7 A9 H137 I152 N165 T166 F167I7-L135 HydrophobicContact CB-CD1 3.72Å; I7-L135 HydrophobicContact CG2-CD1 3.58Å; I7-L135 CarbonylContact O-C 3.51Å; I7-L135 WeakPolarHBondContact O-CA 3.28Å; A9-L135 HydrophobicContact CB-CD1 3.96Å; L135-H137 HydrophobicContact CD2-CB 4.06Å; L135-H137 HydrophobicContact CG-CB 4.15Å; L135-I152 HydrophobicContact CD2-CD1 3.63Å; L135-I152 HydrophobicContact CD2-CG1 3.61Å; L135-N165 PolarHBondContact N-O 3.38Å; L135-T166 HydrophobicContact CB-CG2 4.18Å; L135-T166 CarbonylContact O-C 3.47Å; L135-T166 VanDerWaalsContact O-CA 3.27Å; L135-T166 WeakPolarHBondContact O-CA 3.23Å; L135-F167 PolarHBondContact O-N 3.41Å
136T98.6Very high95.1Very high0 Ų017.3 Ų17.30%011%0.108CC..EExtended strand (participates in β ladder)trans-111.4120.8165-54.90000109.1H6 I7 A9 G13 I16 F167 M233H6-T136 PolarHBondContact NE2-OG1 3.08Å; I7-T136 PolarHBondContact O-N 3.48Å; A9-T136 PolarHBondContact N-O 2.82Å; A9-T136 VanDerWaalsContact N-O 3.09Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.46Å; I16-T136 HydrophobicContact CB-CG2 3.92Å; I16-T136 HydrophobicContact CG2-CG2 3.65Å; T136-F167 HydrophobicContact CG2-CB 4.28Å; T136-M233 HydrophobicContact CG2-CE 4.31Å; T136-M233 VanDerWaalsContact OG1-CE 3.24Å; T136-M233 WeakPolarHBondContact OG1-CE 3.21Å
137H98.3Very high95.3Very high0 Ų015.2 Ų15.20%09%0.093CC..EExtended strand (participates in β ladder)trans-153.5174.1-175.576.2147000112.8A9 L135 L139 G144 F167 S168 V169A9-H137 HydrophobicContact CB-CB 4.24Å; L135-H137 HydrophobicContact CD2-CB 4.06Å; L135-H137 HydrophobicContact CG-CB 4.15Å; H137-L139 VanDerWaalsContact CE1-CD2 3.45Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.49Å; H137-G144 WeakPolarHBondContact CB-O 3.41Å; H137-G144 PolarHBondContact ND1-O 3.3Å; H137-F167 PolarHBondContact N-O 3.3Å; H137-F167 VanDerWaalsContact N-O 3.1Å; H137-S168 PolarHBondContact CD2-OG 2.89Å; H137-S168 PolarHBondContact NE2-OG 2.89Å; H137-V169 PolarHBondContact O-N 3.4Å
138S96.2Very high95.4Very high13 Ų1314.5 Ų14.59%0.0919%0.089CC..EExtended strand (participates in β ladder)trans-119.6134.7174.5170.30000110.1G140 G144 S145 V169S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact OG-N 2.87Å; S138-G144 CarbonylContact O-C 3.55Å; S138-S145 WeakPolarHBondContact O-CA 3.47Å; S138-S145 PolarHBondContact O-N 2.84Å; S138-V169 WeakPolarHBondContact CA-O 3.42Å
139L96.4Very high95.7Very high5 Ų57.4 Ų7.43%0.0265%0.051CC..SBendtrans-78.7-16.5178.9-46.4-173.7000112.1H137 S145 V169 V170 N184 A185 V189 L192H137-L139 VanDerWaalsContact CE1-CD2 3.45Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.49Å; L139-S145 WeakPolarHBondContact O-CB 2.87Å; L139-V169 PolarHBondContact N-O 3.24Å; L139-V170 HydrophobicContact CD1-CG2 4.07Å; L139-N184 CarbonylContact O-C 3.51Å; L139-N184 VanDerWaalsContact O-C 3.22Å; L139-N184 WeakPolarHBondContact O-CB 3.43Å; L139-A185 HydrophobicContact CB-CB 4.21Å; L139-A185 WeakPolarHBondContact O-CA 3.42Å; L139-A185 PolarHBondContact O-N 2.78Å; L139-V189 HydrophobicContact CD1-CG2 4.15Å; L139-L192 HydrophobicContact CD1-CD1 4.2Å; L139-L192 HydrophobicContact CD2-CD1 3.7Å
140G91.5Very high96.1Very high0 Ų05.1 Ų5.10%03%0.034CC..SBendtrans-87.8-28.6-179.900000114.5S138 N184S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact OG-N 2.87Å; G140-N184 PolarHBondContact O-ND2 2.91Å
141G90.3Very high96.2Very high18 Ų184.4 Ų4.419%0.1863%0.031CC..SBendtrans-73.9-179.9-177.700000113.1S145 N184G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-OG 2.94Å; G141-N184 PolarHBondContact O-ND2 3.48Å
142G92.1Very high96.5Very high3 Ų33.7 Ų3.73%0.0313%0.027CC..SBendtrans-89.3-50.3173.400000112.7S145 G146G142-S145 PolarHBondContact O-OG 2.86Å; G142-G146 WeakPolarHBondContact O-CA 3.19Å; G142-G146 PolarHBondContact O-N 3.05Å
143T96.3Very high96.6Very high12 Ų124.3 Ų4.37%0.0743%0.031CC..Iπ-helixtrans-68.1-51.8178.9-48.30000111.8L68 S145 M147 G148L68-T143 HydrophobicContact CB-CG2 4.36Å; L68-T143 HydrophobicContact CD1-CG2 4.06Å; L68-T143 HydrophobicContact CG-CG2 3.81Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.34Å; T143-M147 HydrophobicContact CG2-CB 4.27Å; T143-M147 HydrophobicContact CG2-SD 4.28Å; T143-M147 WeakPolarHBondContact O-CA 3.3Å; T143-M147 VanDerWaalsContact O-CB 3.26Å; T143-M147 WeakPolarHBondContact O-CB 3.41Å; T143-M147 PolarHBondContact O-N 2.89Å; T143-M147 VanDerWaalsContact O-N 3.07Å; T143-G148 PolarHBondContact O-N 3.23Å
144G95.4Very high96.7Very high5 Ų57.3 Ų7.35%0.0525%0.045CC..Iπ-helixtrans-62.7-37.2-177.100000112.6H137 S138 G148H137-G144 WeakPolarHBondContact CB-O 3.41Å; H137-G144 PolarHBondContact ND1-O 3.3Å; S138-G144 CarbonylContact O-C 3.55Å; G144-G148 VanDerWaalsContact O-CA 3.28Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 2.81Å
145S97.1Very high96.7Very high0 Ų07.5 Ų7.50%05%0.045CC..Iπ-helixtrans-81-61.4-178.676.50000110W101 S138 L139 G141 G142 T143 T149 S188W101-S145 PolarHBondContact NE1-O 3.06Å; S138-S145 WeakPolarHBondContact O-CA 3.47Å; S138-S145 PolarHBondContact O-N 2.84Å; L139-S145 WeakPolarHBondContact O-CB 2.87Å; G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-OG 2.94Å; G142-S145 PolarHBondContact O-OG 2.86Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.34Å; S145-T149 WeakPolarHBondContact O-CB 3.45Å; S145-T149 VanDerWaalsContact O-CG2 3.31Å; S145-T149 WeakPolarHBondContact O-CG2 3.39Å; S145-T149 PolarHBondContact O-N 2.86Å; S145-T149 PolarHBondContact O-OG1 3.47Å; S145-S188 VanDerWaalsContact CA-OG 3.25Å; S145-S188 WeakPolarHBondContact CA-OG 3.41Å; S145-S188 WeakPolarHBondContact CB-OG 3.44Å; S145-S188 PolarHBondContact O-OG 2.94Å
146G97.1Very high96.6Very high0 Ų09.5 Ų9.50%05%0.053CC..Iπ-helixtrans-67.8-61-17400000113.4W101 G104 H105 G142 T149 L150W101-G146 VanDerWaalsContact CD1-N 3.26Å; W101-G146 WeakPolarHBondContact O-CA 3.25Å; G104-G146 CarbonylContact O-C 3.58Å; H105-G146 PolarHBondContact ND1-O 2.97Å; H105-G146 VanDerWaalsContact ND1-O 3.14Å; G142-G146 WeakPolarHBondContact O-CA 3.19Å; G142-G146 PolarHBondContact O-N 3.05Å; G146-T149 PolarHBondContact O-OG1 3.22Å; G146-L150 WeakPolarHBondContact O-CB 3.23Å; G146-L150 PolarHBondContact O-N 3.02Å
147M97Very high96.6Very high0 Ų015.4 Ų15.40%08%0.08CC..Iπ-helixtrans-70.4-38-179.4-169.6-174.2-178.900110.7V66 L68 G104 L112 V116 T143 T149 L150 L151V66-M147 HydrophobicContact CG1-CE 3.42Å; V66-M147 VanDerWaalsContact CG1-CE 3.42Å; V66-M147 HydrophobicContact CG1-SD 3.61Å; L68-M147 HydrophobicContact CD2-SD 3.72Å; L68-M147 HydrophobicContact CG-SD 4.01Å; G104-M147 WeakPolarHBondContact O-CA 3.42Å; G104-M147 VanDerWaalsContact O-CB 3.28Å; G104-M147 WeakPolarHBondContact O-CB 3.3Å; G104-M147 PolarHBondContact O-N 3.2Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.81Å; L112-M147 HydrophobicContact CD2-SD 4.29Å; L112-M147 HydrophobicContact CG-CE 3.89Å; V116-M147 HydrophobicContact CG2-CE 3.61Å; T143-M147 HydrophobicContact CG2-CB 4.27Å; T143-M147 HydrophobicContact CG2-SD 4.28Å; T143-M147 WeakPolarHBondContact O-CA 3.3Å; T143-M147 VanDerWaalsContact O-CB 3.26Å; T143-M147 WeakPolarHBondContact O-CB 3.41Å; T143-M147 PolarHBondContact O-N 2.89Å; T143-M147 VanDerWaalsContact O-N 3.07Å; M147-T149 PolarHBondContact O-N 3.37Å; M147-L150 WeakPolarHBondContact O-CB 3.44Å; M147-L150 PolarHBondContact O-N 3.36Å; M147-L151 HydrophobicContact CE-CD1 4.33Å; M147-L151 HydrophobicContact CG-CD1 4.31Å; M147-L151 HydrophobicContact CG-CG 4.48Å; M147-L151 WeakPolarHBondContact O-CB 3.49Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.48Å; M147-L151 PolarHBondContact O-N 3.47Å
148G98Very high96.5Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-58.8-47.5176.300000112T143 G144 L151 I152T143-G148 PolarHBondContact O-N 3.23Å; G144-G148 VanDerWaalsContact O-CA 3.28Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 2.81Å; G148-L151 PolarHBondContact O-N 3.43Å; G148-I152 WeakPolarHBondContact O-CG1 3.47Å; G148-I152 PolarHBondContact O-N 3.49Å; G148-I152 VanDerWaalsContact O-N 3.09Å
149T98.3Very high96.6Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-73-31.8177.159.70000113.4W101 S145 G146 M147 L151 I152 S153 Q191W101-T149 PolarHBondContact NE1-OG1 3.15Å; W101-T149 VanDerWaalsContact NE1-OG1 3.16Å; S145-T149 WeakPolarHBondContact O-CB 3.45Å; S145-T149 VanDerWaalsContact O-CG2 3.31Å; S145-T149 WeakPolarHBondContact O-CG2 3.39Å; S145-T149 PolarHBondContact O-N 2.86Å; S145-T149 PolarHBondContact O-OG1 3.47Å; G146-T149 PolarHBondContact O-OG1 3.22Å; M147-T149 PolarHBondContact O-N 3.37Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.14Å; T149-I152 HydrophobicContact CG2-CD1 4.41Å; T149-I152 WeakPolarHBondContact O-CB 3.47Å; T149-I152 PolarHBondContact O-N 2.99Å; T149-S153 PolarHBondContact O-N 3.35Å; T149-S153 VanDerWaalsContact O-N 3.07Å; T149-S153 PolarHBondContact O-OG 2.89Å; T149-S153 VanDerWaalsContact O-OG 3.08Å; T149-Q191 HydrophobicContact CG2-CB 3.95Å
150L98.2Very high96.5Very high16 Ų1623.9 Ų23.98%0.08412%0.123CC..Hα-helixtrans-56.4-46.7169.6178.263.9000111.4H105 V113 G146 M147 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.29Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.42Å; V113-L150 HydrophobicContact CG2-CD2 3.91Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; G146-L150 WeakPolarHBondContact O-CB 3.23Å; G146-L150 PolarHBondContact O-N 3.02Å; M147-L150 WeakPolarHBondContact O-CB 3.44Å; M147-L150 PolarHBondContact O-N 3.36Å; L150-S153 PolarHBondContact O-N 3.2Å; L150-K154 HydrophobicContact CD1-CG 4.32Å; L150-K154 WeakPolarHBondContact O-CG 3.24Å; L150-K154 PolarHBondContact O-N 3.46Å
151L98.4Very high96.6Very high1 Ų129.8 Ų29.81%0.00516%0.155CC..Hα-helixtrans-62.7-41.8178.3-73.7169.7000111.7V66 V113 V116 M147 G148 T149 S153 K154 I155V66-L151 HydrophobicContact CG1-CD1 4.33Å; V66-L151 HydrophobicContact CG2-CD1 4.46Å; V113-L151 HydrophobicContact CG2-CD2 3.81Å; V116-L151 HydrophobicContact CB-CD2 3.83Å; V116-L151 HydrophobicContact CG1-CD1 4.06Å; V116-L151 HydrophobicContact CG1-CD2 3.54Å; V116-L151 HydrophobicContact CG1-CG 4.48Å; M147-L151 HydrophobicContact CE-CD1 4.33Å; M147-L151 HydrophobicContact CG-CD1 4.31Å; M147-L151 HydrophobicContact CG-CG 4.48Å; M147-L151 WeakPolarHBondContact O-CB 3.49Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.48Å; M147-L151 PolarHBondContact O-N 3.47Å; G148-L151 PolarHBondContact O-N 3.43Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.14Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 3.39Å; L151-K154 PolarHBondContact O-N 3.3Å; L151-I155 WeakPolarHBondContact O-CB 3.46Å; L151-I155 WeakPolarHBondContact O-CD1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.37Å
152I98.5Very high96.8Very high2 Ų233.7 Ų33.71%0.0116%0.164CC..Hα-helixtrans-55.5-52.1175.3-68.7172.9000110.1L135 G148 T149 K154 I155 R156 M164 T166 L192 N195 T196L135-I152 HydrophobicContact CD2-CD1 3.63Å; L135-I152 HydrophobicContact CD2-CG1 3.61Å; G148-I152 WeakPolarHBondContact O-CG1 3.47Å; G148-I152 PolarHBondContact O-N 3.49Å; G148-I152 VanDerWaalsContact O-N 3.09Å; T149-I152 HydrophobicContact CG2-CD1 4.41Å; T149-I152 WeakPolarHBondContact O-CB 3.47Å; T149-I152 PolarHBondContact O-N 2.99Å; I152-K154 PolarHBondContact O-N 2.77Å; I152-I155 PolarHBondContact O-N 3.03Å; I152-R156 WeakPolarHBondContact O-CB 3.41Å; I152-R156 PolarHBondContact O-N 3.41Å; I152-M164 HydrophobicContact CG1-SD 4.42Å; I152-M164 HydrophobicContact CG2-CG 3.99Å; I152-M164 HydrophobicContact CG2-SD 4.5Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; I152-L192 HydrophobicContact CD1-CD2 3.5Å; I152-N195 HydrophobicContact CG2-CB 3.44Å; I152-N195 VanDerWaalsContact CG2-CB 3.44Å; I152-T196 HydrophobicContact CD1-CG2 4.05Å; I152-T196 HydrophobicContact CG2-CG2 3.91Å
153S97.9Very high97Very high12 Ų1233.8 Ų33.88%0.08416%0.164CC..Hα-helixtrans-62.5-43.6-177.3-50.20000111.2T149 L150 L151 R156 E157 Q191 N195T149-S153 PolarHBondContact O-N 3.35Å; T149-S153 VanDerWaalsContact O-N 3.07Å; T149-S153 PolarHBondContact O-OG 2.89Å; T149-S153 VanDerWaalsContact O-OG 3.08Å; L150-S153 PolarHBondContact O-N 3.2Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 3.39Å; S153-R156 WeakPolarHBondContact O-CB 3.04Å; S153-R156 PolarHBondContact O-N 3.37Å; S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 2.89Å; S153-Q191 PolarHBondContact OG-OE1 3.25Å; S153-N195 PolarHBondContact OG-ND2 2.95Å
154K98.3Very high97Very high65 Ų6533.4 Ų33.428%0.28316%0.161SC..Hα-helixtrans-66.8-39177.7-67.8-66.9165.9-1430113.9V113 L117 L150 L151 I152 R156 E157 E158V113-K154 HydrophobicContact CG2-CG 4.24Å; L117-K154 HydrophobicContact CD1-CB 3.86Å; L117-K154 HydrophobicContact CD1-CG 4.28Å; L117-K154 HydrophobicContact CD2-CB 4Å; L117-K154 HydrophobicContact CG-CB 4.49Å; L150-K154 HydrophobicContact CD1-CG 4.32Å; L150-K154 WeakPolarHBondContact O-CG 3.24Å; L150-K154 PolarHBondContact O-N 3.46Å; L151-K154 PolarHBondContact O-N 3.3Å; I152-K154 PolarHBondContact O-N 2.77Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-E157 VanDerWaalsContact NZ-CD 3.28Å; K154-E157 IonicContact NZ-OE1 3.53Å; K154-E157 PolarHBondContact NZ-OE1 3.35Å; K154-E157 IonicContact NZ-OE2 2.79Å; K154-E157 PolarHBondContact NZ-OE2 2.79Å; K154-E157 PolarHBondContact O-N 3.47Å; K154-E158 PolarHBondContact O-N 3.05Å; K154-E158 VanDerWaalsContact O-N 3.16Å
155I98.4Very high97.1Very high3 Ų333.1 Ų33.12%0.01516%0.158CC..Hα-helixtrans-68-37.3175.1-66167000110.3I7 L117 V120 F133 L151 I152 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.29Å; L117-I155 HydrophobicContact CD2-CG1 3.94Å; V120-I155 HydrophobicContact CG1-CD1 4.26Å; V120-I155 HydrophobicContact CG1-CG1 4.22Å; V120-I155 HydrophobicContact CG2-CD1 4.28Å; F133-I155 HydrophobicContact CB-CG2 4.44Å; F133-I155 HydrophobicContact CD1-CG2 4.09Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.18Å; F133-I155 HydrophobicContact CE2-CG2 3.44Å; F133-I155 VanDerWaalsContact CE2-CG2 3.44Å; F133-I155 HydrophobicContact CG-CG2 3.69Å; F133-I155 HydrophobicContact CZ-CG2 3.85Å; L151-I155 WeakPolarHBondContact O-CB 3.46Å; L151-I155 WeakPolarHBondContact O-CD1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.37Å; I152-I155 PolarHBondContact O-N 3.03Å; I155-E158 PolarHBondContact O-N 2.83Å; I155-Y159 HydrophobicContact CG2-CD2 4.03Å; I155-Y159 WeakPolarHBondContact O-CB 3.1Å; I155-Y159 PolarHBondContact O-N 3.02Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.36Å; I155-M164 HydrophobicContact CG2-CE 3.35Å
156R97.1Very high97.1Very high44 Ų4433.1 Ų33.117%0.16616%0.158CC..Hα-helixtrans-63.4-40.8174.9178.260.268.2175.310111.9I152 S153 K154 E158 Y159 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.41Å; I152-R156 PolarHBondContact O-N 3.41Å; S153-R156 WeakPolarHBondContact O-CB 3.04Å; S153-R156 PolarHBondContact O-N 3.37Å; K154-R156 VanDerWaalsContact C-N 3.32Å; R156-E158 VanDerWaalsContact C-N 3.35Å; R156-Y159 CarbonylContact O-C 3.58Å; R156-P160 PolarHBondContact NH1-O 3.47Å; R156-P160 VanDerWaalsContact O-CA 3.28Å; R156-P160 WeakPolarHBondContact O-CA 3.28Å; R156-R162 PolarHBondContact NH1-O 2.97Å; R156-R162 VanDerWaalsContact NH1-O 3.12Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; R156-N195 HydrophobicContact CB-CB 4.41Å; R156-N195 PolarHBondContact NE-O 3.3Å; R156-N195 PolarHBondContact NH2-O 3.16Å; R156-D197 IonicContact CZ-OD1 3.53Å; R156-D197 IonicContact CZ-OD2 3.75Å; R156-D197 IonicContact NH1-OD1 3.84Å; R156-D197 IonicContact NH1-OD2 2.66Å; R156-D197 PolarHBondContact NH1-OD2 3.09Å; R156-D197 IonicContact NH2-OD1 3.62Å; R156-D197 PolarHBondContact NH2-OD1 3.21Å; R156-D197 IonicContact NH2-OD2 2.78Å; R156-D197 PolarHBondContact NH2-OD2 2.88Å
157E97.2Very high97.2Very high125 Ų12533.2 Ų33.258%0.58416%0.159SC*.Hα-helixtrans-59.2-43.5174.4-73.9170.8-153.700111.7S153 K154S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 2.89Å; K154-E157 VanDerWaalsContact NZ-CD 3.28Å; K154-E157 IonicContact NZ-OE1 3.53Å; K154-E157 PolarHBondContact NZ-OE1 3.35Å; K154-E157 IonicContact NZ-OE2 2.79Å; K154-E157 PolarHBondContact NZ-OE2 2.79Å; K154-E157 PolarHBondContact O-N 3.47Å
158E97.4Very high97.3Very high73 Ų7333.2 Ų33.234%0.34116%0.159SC..Hα-helixtrans-81.7-30.8-177.8-71.5-174-146.100114.1R121 K154 I155 R156 P160R121-E158 IonicContact CZ-OE1 3.5Å; R121-E158 IonicContact CZ-OE2 3.51Å; R121-E158 IonicContact NE-OE1 3.97Å; R121-E158 IonicContact NE-OE2 2.72Å; R121-E158 PolarHBondContact NE-OE2 2.9Å; R121-E158 IonicContact NH2-OE1 2.73Å; R121-E158 PolarHBondContact NH2-OE1 2.7Å; R121-E158 IonicContact NH2-OE2 3Å; R121-E158 PolarHBondContact NH2-OE2 2.65Å; K154-E158 PolarHBondContact O-N 3.05Å; K154-E158 VanDerWaalsContact O-N 3.16Å; I155-E158 PolarHBondContact O-N 2.83Å; R156-E158 VanDerWaalsContact C-N 3.35Å; E158-P160 VanDerWaalsContact C-CD 3.43Å
159Y97.4Very high97.2Very high47 Ų4733.3 Ų33.318%0.18416%0.159CC..  trans-129.558.1-174.5-57.8-84.3000112.1V120 A124 L130 F133 I155 R156 D161 R162V120-Y159 HydrophobicContact CG1-CE2 4.5Å; A124-Y159 HydrophobicContact CB-CE1 4.27Å; L130-Y159 HydrophobicContact CD2-CD1 4.35Å; L130-Y159 HydrophobicContact CD2-CE1 4.42Å; F133-Y159 HydrophobicContact CE2-CD1 4.32Å; F133-Y159 AromaticContact CE2-CD2 3.72Å; F133-Y159 HydrophobicContact CE2-CD2 3.72Å; F133-Y159 HydrophobicContact CE2-CE2 4.41Å; F133-Y159 AromaticContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CZ-CD1 4.24Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.44Å; F133-Y159 AromaticContact CZ-CE2 3.81Å; F133-Y159 HydrophobicContact CZ-CE2 3.81Å; F133-Y159 AromaticContact CZ-CG 3.81Å; F133-Y159 HydrophobicContact CZ-CG 3.81Å; I155-Y159 HydrophobicContact CG2-CD2 4.03Å; I155-Y159 WeakPolarHBondContact O-CB 3.1Å; I155-Y159 PolarHBondContact O-N 3.02Å; R156-Y159 CarbonylContact O-C 3.58Å; Y159-D161 VanDerWaalsContact C-N 3.25Å; Y159-D161 PolarHBondContact O-N 2.97Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; Y159-R162 HydrophobicContact CD1-CG 4.4Å; Y159-R162 PolarHBondContact O-N 3.26Å
160P95.5Very high97Very high75 Ų7533.4 Ų33.449%0.48716%0.16SC..THydrogen-bonded Turntrans-59.8-34.3-171.623.2-34.6000113.4R156 E158 R162R156-P160 PolarHBondContact NH1-O 3.47Å; R156-P160 VanDerWaalsContact O-CA 3.28Å; R156-P160 WeakPolarHBondContact O-CA 3.28Å; E158-P160 VanDerWaalsContact C-CD 3.43Å; P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 3.37Å
161D93.1Very high96.5Very high124 Ų12433 Ų3366%0.66316%0.159SC*.THydrogen-bonded Turntrans-82.5-1.1-178.8-61.6-43.8000114.1Y159 R251Y159-D161 VanDerWaalsContact C-N 3.25Å; Y159-D161 PolarHBondContact O-N 2.97Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; D161-R251 PolarHBondContact O-NH2 3.41Å
162R94.9Very high95.7Very high101 Ų10133 Ų3338%0.38116%0.158SC..SBendtrans-96.9146.7-178.9-62.7-61.4178-116.33.2110.6L130 F133 R156 Y159 P160 M164L130-R162 HydrophobicContact CD2-CG 4.23Å; L130-R162 WeakPolarHBondContact O-CD 3.27Å; L130-R162 PolarHBondContact O-NE 2.9Å; F133-R162 HydrophobicContact CD2-CB 4.38Å; F133-R162 HydrophobicContact CE2-CB 4.16Å; R156-R162 PolarHBondContact NH1-O 2.97Å; R156-R162 VanDerWaalsContact NH1-O 3.12Å; Y159-R162 HydrophobicContact CD1-CG 4.4Å; Y159-R162 PolarHBondContact O-N 3.26Å; P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 3.37Å; R162-M164 PolarHBondContact O-N 2.83Å
163I95.1Very high94.4Very high4 Ų436.3 Ų36.32%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-69135178.9-158.280.9000109.1Q131 G132 F133 D197 L250 A254Q131-I163 HydrophobicContact CG-CG2 4.18Å; Q131-I163 PolarHBondContact O-N 2.92Å; G132-I163 CarbonylContact C-O 3.51Å; G132-I163 VanDerWaalsContact CA-O 3.29Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å; F133-I163 PolarHBondContact N-O 2.94Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.39Å; I163-D197 HydrophobicContact CD1-CB 3.38Å; I163-D197 HydrophobicContact CG1-CB 3.95Å; I163-L250 HydrophobicContact CG1-CB 4.38Å; I163-L250 HydrophobicContact CG2-CB 4.1Å; I163-L250 HydrophobicContact CG2-CD1 3.88Å; I163-A254 HydrophobicContact CD1-CB 4.02Å
164M97.5Very high93.3Very high4 Ų443.6 Ų43.62%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-113106.6170.7-179.359.969.700108.7F133 I152 I155 R156 R162 T196 D197 E198F133-M164 HydrophobicContact CB-CE 3.83Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.25Å; F133-M164 HydrophobicContact CG-CE 4.27Å; I152-M164 HydrophobicContact CG1-SD 4.42Å; I152-M164 HydrophobicContact CG2-CG 3.99Å; I152-M164 HydrophobicContact CG2-SD 4.5Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.36Å; I155-M164 HydrophobicContact CG2-CE 3.35Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; R162-M164 PolarHBondContact O-N 2.83Å; M164-T196 HydrophobicContact CG-CG2 4.05Å; M164-D197 PolarHBondContact N-OD2 2.82Å; M164-D197 PolarHBondContact O-N 2.89Å; M164-E198 PolarHBondContact O-N 3.5Å
165N96.4Very high92Very high0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-104.8141.4178.3177.229.5000110.4F133 Q134 L135 E198 Y200 L250F133-N165 PolarHBondContact O-N 2.86Å; Q134-N165 CarbonylContact C-O 3.43Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.2Å; L135-N165 PolarHBondContact N-O 3.38Å; N165-E198 CarbonylContact C-O 3.46Å; N165-E198 WeakPolarHBondContact CA-O 3.28Å; N165-E198 HydrophobicContact CB-CB 4.4Å; N165-E198 PolarHBondContact OD1-O 3.29Å; N165-E198 VanDerWaalsContact OD1-O 3.12Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.4Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.39Å; N165-L250 HydrophobicContact CB-CD1 4.37Å
166T98.3Very high90.9Very high0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans-129.9140.5174.973.50000113.3L135 I152 S168 L192 T196 E198 T199 Y200L135-T166 HydrophobicContact CB-CG2 4.18Å; L135-T166 CarbonylContact O-C 3.47Å; L135-T166 VanDerWaalsContact O-CA 3.27Å; L135-T166 WeakPolarHBondContact O-CA 3.23Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; T166-S168 WeakPolarHBondContact CB-OG 3.45Å; T166-S168 PolarHBondContact OG1-OG 2.94Å; T166-L192 HydrophobicContact CG2-CD2 3.98Å; T166-T196 HydrophobicContact CG2-CG2 3.51Å; T166-E198 PolarHBondContact N-O 3.44Å; T166-T199 WeakPolarHBondContact OG1-CB 3.49Å; T166-T199 VanDerWaalsContact OG1-CG2 3.32Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.37Å; T166-T199 PolarHBondContact OG1-OG1 2.93Å; T166-Y200 WeakPolarHBondContact O-CD2 3.26Å; T166-Y200 PolarHBondContact O-N 2.93Å
167F98.4Very high89.9Confident2 Ų248.7 Ų48.71%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-104.3103.3162.2-70.8-82.6000107.6Q134 L135 T136 H137 Y200 I202 M233 V236Q134-F167 VanDerWaalsContact CD-CE2 3.48Å; Q134-F167 HydrophobicContact CG-CD2 3.95Å; Q134-F167 HydrophobicContact CG-CE2 3.95Å; L135-F167 PolarHBondContact O-N 3.41Å; T136-F167 HydrophobicContact CG2-CB 4.28Å; H137-F167 PolarHBondContact N-O 3.3Å; H137-F167 VanDerWaalsContact N-O 3.1Å; F167-Y200 HydrophobicContact CD1-CD2 4.16Å; F167-Y200 AromaticContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CE1-CD1 4.19Å; F167-Y200 AromaticContact CE1-CD2 3.81Å; F167-Y200 HydrophobicContact CE1-CD2 3.81Å; F167-Y200 AromaticContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE2-CD2 4.46Å; F167-Y200 AromaticContact CZ-CD2 3.98Å; F167-Y200 HydrophobicContact CZ-CD2 3.98Å; F167-Y200 HydrophobicContact CZ-CE2 4.35Å; F167-Y200 HydrophobicContact CZ-CG 4.26Å; F167-I202 HydrophobicContact CB-CD1 4.12Å; F167-I202 HydrophobicContact CD1-CD1 4.05Å; F167-M233 HydrophobicContact CD1-CG 3.6Å; F167-M233 HydrophobicContact CD2-CE 3.84Å; F167-M233 HydrophobicContact CD2-CG 4.09Å; F167-M233 HydrophobicContact CE1-CB 4.29Å; F167-M233 HydrophobicContact CE1-CG 3.65Å; F167-M233 HydrophobicContact CE2-CE 4.26Å; F167-M233 HydrophobicContact CE2-CG 4.13Å; F167-M233 HydrophobicContact CG-CE 4.16Å; F167-M233 HydrophobicContact CG-CG 3.82Å; F167-M233 HydrophobicContact CG-SD 4.3Å; F167-M233 HydrophobicContact CZ-CB 4.21Å; F167-M233 HydrophobicContact CZ-CG 3.91Å; F167-V236 HydrophobicContact CE1-CB 4.42Å; F167-V236 HydrophobicContact CE1-CG2 4.27Å; F167-V236 HydrophobicContact CZ-CB 4.04Å; F167-V236 HydrophobicContact CZ-CG1 3.93Å; F167-V236 HydrophobicContact CZ-CG2 4.39Å
168S98.3Very high89.3Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-112.7106.5-162-68.10000110.2H137 T166 V170 Y200 I202H137-S168 PolarHBondContact CD2-OG 2.89Å; H137-S168 PolarHBondContact NE2-OG 2.89Å; T166-S168 WeakPolarHBondContact CB-OG 3.45Å; T166-S168 PolarHBondContact OG1-OG 2.94Å; S168-V170 PolarHBondContact O-N 3.05Å; S168-Y200 PolarHBondContact N-O 2.89Å; S168-I202 PolarHBondContact O-N 2.75Å
169V96.7Very high88.9Confident1 Ų144.8 Ų44.81%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-79.2111.5179.3-1770000110.1I16 H137 S138 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.46Å; I16-V169 VanDerWaalsContact CD1-CG2 3.46Å; H137-V169 PolarHBondContact O-N 3.4Å; S138-V169 WeakPolarHBondContact CA-O 3.42Å; L139-V169 PolarHBondContact N-O 3.24Å; V169-I202 CarbonylContact C-O 3.6Å; V169-I202 WeakPolarHBondContact CA-O 3.43Å; V169-I202 HydrophobicContact CG2-CB 4.41Å; V169-I202 HydrophobicContact CG2-CG2 4.48Å; V169-N204 WeakPolarHBondContact CG1-OD1 2.99Å
170V94.1Very high88.7Confident2 Ų242.7 Ų42.71%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-81.7133.8178.7-173.50000109.1L139 S168 C201 I202 N204 L377 V381L139-V170 HydrophobicContact CD1-CG2 4.07Å; S168-V170 PolarHBondContact O-N 3.05Å; V170-C201 HydrophobicContact CG2-CB 4.33Å; V170-I202 PolarHBondContact N-O 2.97Å; V170-N204 PolarHBondContact O-N 2.84Å; V170-L377 HydrophobicContact CB-CD1 4.14Å; V170-L377 HydrophobicContact CB-CD2 4.43Å; V170-L377 HydrophobicContact CG1-CD1 3.98Å; V170-L377 HydrophobicContact CG1-CD2 3.76Å; V170-L377 HydrophobicContact CG1-CG 3.93Å; V170-L377 HydrophobicContact CG2-CD1 3.94Å; V170-L377 HydrophobicContact CG2-CD2 3.93Å; V170-L377 HydrophobicContact CG2-CG 4.45Å; V170-V381 HydrophobicContact CG1-CG2 4.42Å
171P87.2Confident88.6Confident9 Ų939.9 Ų39.96%0.05821%0.209CC..  trans-65.9158.2177.726.1-34.3000112.9E181 A185 R380P171-E181 HydrophobicContact CB-CB 3.84Å; P171-E181 HydrophobicContact CB-CG 4.03Å; P171-E181 WeakPolarHBondContact CB-OE2 3.18Å; P171-E181 HydrophobicContact CG-CB 4.09Å; P171-A185 HydrophobicContact CG-CB 3.75Å; P171-R380 PolarHBondContact O-NH2 2.93Å
172S81.3Confident88.7Confident0 Ų034.6 Ų34.60%018%0.181CC..  trans-137.8127.8168171.70000110.1K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.48Å; S172-K174 PolarHBondContact OG-N 2.82Å; S172-V175 PolarHBondContact O-N 2.74Å; S172-S176 PolarHBondContact O-N 3.4Å; S172-E205 WeakPolarHBondContact OG-CB 3.49Å; S172-E205 PolarHBondContact OG-OE2 3.29Å
173P72Confident88.8Confident72 Ų7229.8 Ų29.847%0.46816%0.163SC..THydrogen-bonded Turntrans-61.1-17.1176.7-18.226.6000114.3
174K74.8Confident88.9Confident164 Ų16429.6 Ų29.671%0.71316%0.162SC*.THydrogen-bonded Turntrans-83.8-16.5178.8-64.5-176.3-170.7159.60112.7S172 E205S172-K174 PolarHBondContact O-N 3.48Å; S172-K174 PolarHBondContact OG-N 2.82Å; K174-E205 HydrophobicContact CD-CG 4.41Å; K174-E205 WeakPolarHBondContact CD-OE1 3.23Å; K174-E205 WeakPolarHBondContact CE-OE1 3.27Å; K174-E205 IonicContact NZ-OE1 3.3Å; K174-E205 PolarHBondContact NZ-OE1 3.08Å
175V70.3Confident88.8Confident35 Ų3529.4 Ų29.421%0.21216%0.161CC..THydrogen-bonded Turntrans-117.2-28.9-173.3-173.40000111.6S172 N204S172-V175 PolarHBondContact O-N 2.74Å; V175-N204 HydrophobicContact CB-CB 4.33Å; V175-N204 HydrophobicContact CG1-CB 4.23Å
176S75.3Confident88.9Confident22 Ų2229.4 Ų29.415%0.15416%0.161CC..  trans-110.9143.5-176.7-170.50000113.1S172 T178 E181S172-S176 PolarHBondContact O-N 3.4Å; S176-T178 PolarHBondContact OG-N 3.42Å; S176-E181 VanDerWaalsContact CB-CD 3.45Å; S176-E181 WeakPolarHBondContact CB-OE1 3.07Å; S176-E181 WeakPolarHBondContact CB-OE2 3.45Å; S176-E181 PolarHBondContact OG-OE1 3.35Å; S176-E181 PolarHBondContact OG-OE2 2.94Å
177D76.6Confident88.9Confident163 Ų16329.5 Ų29.587%0.87216%0.162SC*.  trans-93.3-1.4177.6-66-41.7000113.1V179D177-V179 PolarHBondContact O-N 3.1Å
178T85.4Confident88.9Confident32 Ų3229.4 Ų29.420%0.19616%0.161CC..  trans-78.3113-174.9-64.10000110.8N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.17Å; S176-T178 PolarHBondContact OG-N 3.42Å; T178-V180 VanDerWaalsContact C-N 3.28Å; T178-V180 HydrophobicContact CG2-CG2 4.01Å; T178-V180 PolarHBondContact O-N 3.42Å; T178-E181 HydrophobicContact CG2-CG 3.62Å; T178-E181 WeakPolarHBondContact O-CG 3.38Å; T178-E181 PolarHBondContact O-N 3.49Å
179V88.3Confident88.8Confident83 Ų8329.7 Ų29.750%0.50316%0.163SC..THydrogen-bonded Turntrans-70.7-19.9-173.4-59.10000114.7D177 M388 F394D177-V179 PolarHBondContact O-N 3.1Å; V179-M388 WeakPolarHBondContact O-CE 3.23Å; V179-F394 HydrophobicContact CB-CE2 4.23Å; V179-F394 HydrophobicContact CB-CZ 4.34Å; V179-F394 HydrophobicContact CG2-CD2 4.37Å; V179-F394 HydrophobicContact CG2-CE1 4.09Å; V179-F394 HydrophobicContact CG2-CE2 3.87Å; V179-F394 HydrophobicContact CG2-CZ 3.72Å
180V93.8Very high88.9Confident4 Ų431 Ų312%0.02417%0.169CC..THydrogen-bonded Turntrans-101.75.9-176.7-570000113.9N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.42Å; T178-V180 VanDerWaalsContact C-N 3.28Å; T178-V180 HydrophobicContact CG2-CG2 4.01Å; T178-V180 PolarHBondContact O-N 3.42Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 3.24Å; V180-Y183 VanDerWaalsContact O-N 3.09Å; V180-N184 PolarHBondContact O-N 3.38Å; V180-F394 HydrophobicContact CG1-CB 3.84Å; V180-F394 HydrophobicContact CG1-CD2 4.23Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; V180-W397 HydrophobicContact CG1-CE3 4.33Å; V180-Y398 HydrophobicContact CB-CE2 4.2Å; V180-Y398 VanDerWaalsContact CB-OH 3.27Å; V180-Y398 WeakPolarHBondContact CB-OH 3.5Å; V180-Y398 HydrophobicContact CG1-CE2 4.32Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.15Å; V180-Y398 PolarHBondContact O-OH 2.67Å
181E93.3Very high89Confident16 Ų1632.3 Ų32.38%0.07518%0.175CC..Hα-helixtrans-52.6-38.6179.3-73.6-173.7149.800114.9P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.84Å; P171-E181 HydrophobicContact CB-CG 4.03Å; P171-E181 WeakPolarHBondContact CB-OE2 3.18Å; P171-E181 HydrophobicContact CG-CB 4.09Å; S176-E181 VanDerWaalsContact CB-CD 3.45Å; S176-E181 WeakPolarHBondContact CB-OE1 3.07Å; S176-E181 WeakPolarHBondContact CB-OE2 3.45Å; S176-E181 PolarHBondContact OG-OE1 3.35Å; S176-E181 PolarHBondContact OG-OE2 2.94Å; T178-E181 HydrophobicContact CG2-CG 3.62Å; T178-E181 WeakPolarHBondContact O-CG 3.38Å; T178-E181 PolarHBondContact O-N 3.49Å; E181-Y183 VanDerWaalsContact C-N 3.28Å; E181-Y183 PolarHBondContact O-N 3.01Å; E181-N184 PolarHBondContact O-N 2.93Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.37Å; E181-A185 PolarHBondContact O-N 3.28Å
182P94.7Very high89.6Confident13 Ų1331.9 Ų31.98%0.08417%0.172CC..Hα-helixtrans-60.6-38.1178.9-26.637.3000112.7V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.32Å; P182-T186 PolarHBondContact O-N 3.42Å; P182-T186 PolarHBondContact O-OG1 3Å; P182-Q384 HydrophobicContact CB-CB 3.81Å; P182-Q384 HydrophobicContact CG-CB 3.7Å; P182-F385 HydrophobicContact CB-CB 4.38Å; P182-M388 HydrophobicContact CB-SD 4.06Å; P182-M388 HydrophobicContact CG-SD 3.73Å
183Y97Very high90.3Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-65.8-48.8174.3-68.9-18.9000111.6V180 E181 A185 T186 L187 F385 M388 F389 A393 Y398 F408V180-Y183 PolarHBondContact O-N 3.24Å; V180-Y183 VanDerWaalsContact O-N 3.09Å; E181-Y183 VanDerWaalsContact C-N 3.28Å; E181-Y183 PolarHBondContact O-N 3.01Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 3.01Å; Y183-T186 PolarHBondContact O-N 3.42Å; Y183-L187 WeakPolarHBondContact O-CB 3.34Å; Y183-L187 WeakPolarHBondContact O-CD1 3.3Å; Y183-L187 VanDerWaalsContact O-CG 3.22Å; Y183-L187 WeakPolarHBondContact O-CG 3.5Å; Y183-L187 PolarHBondContact O-N 2.89Å; 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 3.57Å; Y183-F385 HydrophobicContact CD1-CE2 3.57Å; Y183-F385 HydrophobicContact CD1-CG 4.27Å; Y183-F385 HydrophobicContact CD1-CZ 4.44Å; Y183-F385 HydrophobicContact CE1-CD2 4.08Å; Y183-F385 HydrophobicContact CE1-CE2 4.1Å; Y183-M388 HydrophobicContact CD2-CE 4.3Å; Y183-M388 HydrophobicContact CE1-CB 3.78Å; Y183-M388 HydrophobicContact CE2-CE 4.05Å; Y183-M388 PolarHBondContact OH-O 3.49Å; Y183-F389 HydrophobicContact CE1-CB 4.02Å; Y183-F389 HydrophobicContact CE1-CD2 4.45Å; Y183-F389 VanDerWaalsContact OH-CA 3.27Å; Y183-F389 WeakPolarHBondContact OH-CA 3.41Å; Y183-F389 PolarHBondContact OH-N 3.45Å; Y183-A393 WeakPolarHBondContact CE2-O 3.43Å; Y183-A393 PolarHBondContact OH-O 2.99Å; Y183-Y398 HydrophobicContact CD2-CD2 4.14Å; Y183-Y398 AromaticContact CD2-CE2 3.62Å; Y183-Y398 HydrophobicContact CD2-CE2 3.62Å; Y183-Y398 AromaticContact CD2-CZ 3.97Å; Y183-Y398 HydrophobicContact CE2-CE2 4.46Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; Y183-F408 HydrophobicContact CD1-CD1 4.36Å; Y183-F408 HydrophobicContact CD1-CE1 4.09Å; Y183-F408 HydrophobicContact CD2-CE1 4.03Å; Y183-F408 HydrophobicContact CE1-CE1 4.49Å; Y183-F408 HydrophobicContact CE2-CE1 4.43Å; Y183-F408 AromaticContact CG-CE1 3.84Å; Y183-F408 HydrophobicContact CG-CE1 3.84Å
184N97Very high91.4Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-58.7-44.3179.1-63.5-17.5000111.6N99 W101 L139 G140 G141 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 3.48Å; W101-N184 HydrophobicContact CB-CB 4.14Å; W101-N184 WeakPolarHBondContact CB-OD1 3.38Å; W101-N184 PolarHBondContact N-OD1 2.89Å; L139-N184 CarbonylContact O-C 3.51Å; L139-N184 VanDerWaalsContact O-C 3.22Å; L139-N184 WeakPolarHBondContact O-CB 3.43Å; G140-N184 PolarHBondContact O-ND2 2.91Å; G141-N184 PolarHBondContact O-ND2 3.48Å; V180-N184 PolarHBondContact O-N 3.38Å; E181-N184 PolarHBondContact O-N 2.93Å; N184-S188 WeakPolarHBondContact O-CB 3.34Å; N184-S188 PolarHBondContact O-N 3.45Å; N184-S188 PolarHBondContact O-OG 3.33Å; N184-Y398 PolarHBondContact OD1-OH 3Å
185A96.6Very high92.5Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-67.7-43.6-178.500000112.2L139 P171 E181 Y183 S188 V189 V381L139-A185 HydrophobicContact CB-CB 4.21Å; L139-A185 WeakPolarHBondContact O-CA 3.42Å; L139-A185 PolarHBondContact O-N 2.78Å; P171-A185 HydrophobicContact CG-CB 3.75Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.37Å; E181-A185 PolarHBondContact O-N 3.28Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 3.01Å; A185-S188 PolarHBondContact O-N 3.35Å; A185-V189 WeakPolarHBondContact O-CB 3.46Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.31Å; A185-V381 HydrophobicContact CB-CG1 3.69Å; A185-V381 HydrophobicContact CB-CG2 4.36Å
186T97.2Very high93.8Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-61.7-46.9176.5-58.80000111.7P182 Y183 S188 V189 H190 V381 F385 A411 M415P182-T186 WeakPolarHBondContact O-CB 3.32Å; P182-T186 PolarHBondContact O-N 3.42Å; P182-T186 PolarHBondContact O-OG1 3Å; Y183-T186 PolarHBondContact O-N 3.42Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.91Å; T186-V189 PolarHBondContact O-N 3.45Å; T186-H190 WeakPolarHBondContact O-CB 3.44Å; T186-H190 PolarHBondContact O-N 3.24Å; T186-V381 WeakPolarHBondContact OG1-CG1 3.33Å; T186-F385 VanDerWaalsContact CB-CD2 3.44Å; T186-F385 HydrophobicContact CG2-CD2 3.76Å; T186-F385 HydrophobicContact CG2-CE2 3.87Å; T186-F385 HydrophobicContact CG2-CG 4.2Å; T186-F385 HydrophobicContact CG2-CZ 4.4Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.44Å; T186-A411 HydrophobicContact CG2-CB 4.08Å; T186-M415 HydrophobicContact CG2-CE 3.93Å; T186-M415 HydrophobicContact CG2-SD 4.24Å
187L98.1Very high94.8Very high2 Ų227.7 Ų27.71%0.0115%0.147CC..Hα-helixtrans-65.1-38179.1-65.6167.8000112W101 Y183 H190 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.37Å; W101-L187 HydrophobicContact CD2-CB 3.75Å; W101-L187 HydrophobicContact CD2-CD1 3.89Å; W101-L187 HydrophobicContact CD2-CG 4.42Å; W101-L187 HydrophobicContact CE3-CB 4.15Å; W101-L187 HydrophobicContact CE3-CD1 3.61Å; W101-L187 HydrophobicContact CE3-CG 4.38Å; W101-L187 HydrophobicContact CG-CB 4.02Å; W101-L187 HydrophobicContact CG-CD1 4.2Å; W101-L187 HydrophobicContact CZ2-CB 4.22Å; W101-L187 HydrophobicContact CZ3-CD1 4.23Å; Y183-L187 WeakPolarHBondContact O-CB 3.34Å; Y183-L187 WeakPolarHBondContact O-CD1 3.3Å; Y183-L187 VanDerWaalsContact O-CG 3.22Å; Y183-L187 WeakPolarHBondContact O-CG 3.5Å; Y183-L187 PolarHBondContact O-N 2.89Å; L187-H190 WeakPolarHBondContact O-CB 3.48Å; L187-Q191 PolarHBondContact O-N 3.31Å; L187-Y398 HydrophobicContact CD1-CD1 4.18Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L187-M403 HydrophobicContact CD1-CE 3.71Å; L187-M403 HydrophobicContact CD1-SD 4.15Å; L187-M403 HydrophobicContact CD2-CE 3.41Å; L187-M403 VanDerWaalsContact CD2-CE 3.41Å; L187-M403 HydrophobicContact CG-CE 4.21Å; L187-F408 HydrophobicContact CD1-CE1 4.1Å; L187-F408 HydrophobicContact CD1-CZ 4.31Å; L187-A411 HydrophobicContact CD2-CB 3.74Å
188S98.2Very high95.7Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-68.9-43.4174.4-73.10000113S145 N184 A185 T186 H190 Q191 L192S145-S188 VanDerWaalsContact CA-OG 3.25Å; S145-S188 WeakPolarHBondContact CA-OG 3.41Å; S145-S188 WeakPolarHBondContact CB-OG 3.44Å; S145-S188 PolarHBondContact O-OG 2.94Å; N184-S188 WeakPolarHBondContact O-CB 3.34Å; N184-S188 PolarHBondContact O-N 3.45Å; N184-S188 PolarHBondContact O-OG 3.33Å; A185-S188 PolarHBondContact O-N 3.35Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.91Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 2.95Å; S188-Q191 PolarHBondContact O-N 2.77Å; S188-Q191 VanDerWaalsContact O-N 3.13Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.26Å; S188-L192 PolarHBondContact O-N 2.89Å
189V97.5Very high96.3Very high5 Ų518.4 Ų18.43%0.0310%0.097CC..Hα-helixtrans-59.7-42.1177.1170.50000110.3L139 A185 T186 Q191 L192 V193 F265 F378 M415 L418L139-V189 HydrophobicContact CD1-CG2 4.15Å; A185-V189 WeakPolarHBondContact O-CB 3.46Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.31Å; T186-V189 PolarHBondContact O-N 3.45Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 2.96Å; V189-L192 PolarHBondContact O-N 3.24Å; V189-V193 HydrophobicContact CG1-CG2 4.1Å; V189-V193 VanDerWaalsContact O-CG2 3.28Å; V189-V193 WeakPolarHBondContact O-CG2 3.45Å; V189-V193 PolarHBondContact O-N 2.91Å; V189-F265 HydrophobicContact CG1-CZ 4.48Å; V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 4.05Å; V189-F378 HydrophobicContact CG2-CD1 4.29Å; V189-F378 HydrophobicContact CG2-CE1 4.11Å; V189-M415 HydrophobicContact CB-CE 3.65Å; V189-M415 HydrophobicContact CG1-CE 3.79Å; V189-M415 HydrophobicContact CG2-CE 4.01Å; V189-L418 HydrophobicContact CG1-CD2 4.26Å
190H97.4Very high96.8Very high28 Ų2814.4 Ų14.413%0.137%0.073CC..Hα-helixtrans-51.5-46.9174.3171.339.9000112.2T186 L187 S188 E194 A411 N414T186-H190 WeakPolarHBondContact O-CB 3.44Å; T186-H190 PolarHBondContact O-N 3.24Å; L187-H190 WeakPolarHBondContact O-CB 3.48Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 2.95Å; H190-E194 IonicContact CE1-OE1 3.13Å; H190-E194 PolarHBondContact CE1-OE1 2.88Å; H190-E194 VanDerWaalsContact CE1-OE1 3.31Å; H190-E194 IonicContact ND1-OE1 3.21Å; H190-A411 HydrophobicContact CB-CB 3.75Å; H190-N414 PolarHBondContact CE1-ND2 2.82Å; H190-N414 PolarHBondContact ND1-ND2 2.87Å
191Q97.8Very high97Very high30 Ų3014.3 Ų14.314%0.147%0.072CC..Hα-helixtrans-71.8-34.5176.8-64.2-66.2-5400113.4W101 T149 S153 L187 S188 V189 E194 N195W101-Q191 HydrophobicContact CZ2-CG 4.25Å; T149-Q191 HydrophobicContact CG2-CB 3.95Å; S153-Q191 PolarHBondContact OG-OE1 3.25Å; L187-Q191 PolarHBondContact O-N 3.31Å; S188-Q191 PolarHBondContact O-N 2.77Å; S188-Q191 VanDerWaalsContact O-N 3.13Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 2.96Å; Q191-E194 PolarHBondContact O-N 3.42Å; Q191-N195 WeakPolarHBondContact O-CB 3.3Å; Q191-N195 PolarHBondContact O-N 3.02Å; Q191-N195 VanDerWaalsContact O-N 3.11Å; Q191-N195 PolarHBondContact O-ND2 3.38Å
192L98.3Very high97.1Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-66.6-42179.9-70.2170.5000112L139 I152 T166 S188 V189 E194 N195 T196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.2Å; L139-L192 HydrophobicContact CD2-CD1 3.7Å; I152-L192 HydrophobicContact CD1-CD2 3.5Å; T166-L192 HydrophobicContact CG2-CD2 3.98Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.26Å; S188-L192 PolarHBondContact O-N 2.89Å; V189-L192 PolarHBondContact O-N 3.24Å; L192-E194 PolarHBondContact O-N 3.33Å; L192-N195 PolarHBondContact O-N 3Å; L192-T196 HydrophobicContact CB-CG2 4.38Å; L192-T196 HydrophobicContact CD2-CG2 3.5Å; L192-T196 VanDerWaalsContact CD2-CG2 3.5Å; L192-T196 WeakPolarHBondContact O-CB 3.04Å; L192-T196 PolarHBondContact O-N 2.83Å; L192-T196 PolarHBondContact O-OG1 2.96Å; L192-T199 HydrophobicContact CD1-CG2 4.37Å; L192-H264 PolarHBondContact O-CE1 3.2Å; L192-H264 PolarHBondContact O-NE2 3.02Å; L192-F265 HydrophobicContact CB-CE1 4.17Å; L192-F265 HydrophobicContact CB-CZ 4.21Å
193V97.2Very high97.1Very high9 Ų913 Ų136%0.0557%0.065CC..Hα-helixtrans-54.6-38.1178.5170.40000111.5V189 R262 H264 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.1Å; V189-V193 VanDerWaalsContact O-CG2 3.28Å; V189-V193 WeakPolarHBondContact O-CG2 3.45Å; V189-V193 PolarHBondContact O-N 2.91Å; V193-R262 HydrophobicContact CG1-CB 4.36Å; V193-R262 HydrophobicContact CG1-CG 4.06Å; V193-H264 PolarHBondContact O-CE1 3.41Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; V193-L418 HydrophobicContact CG2-CD1 4.31Å; V193-L418 HydrophobicContact CG2-CD2 3.73Å; V193-L418 HydrophobicContact CG2-CG 4.5Å
194E94.7Very high96.8Very high116 Ų11613.7 Ų13.754%0.5427%0.068SC..Hα-helixtrans-90.7-31.8-174.3-67.3176.8-170.500113.1H190 Q191 L192 N414H190-E194 IonicContact CE1-OE1 3.13Å; H190-E194 PolarHBondContact CE1-OE1 2.88Å; H190-E194 VanDerWaalsContact CE1-OE1 3.31Å; H190-E194 IonicContact ND1-OE1 3.21Å; Q191-E194 PolarHBondContact O-N 3.42Å; L192-E194 PolarHBondContact O-N 3.33Å; E194-N414 PolarHBondContact OE1-ND2 3.29Å
195N97.4Very high96.6Very high24 Ų2415.2 Ų15.213%0.1288%0.075CC..Hα-helixtrans-113.9-7.5-164.8-60.3-78.2000114.8I152 S153 R156 Q191 L192I152-N195 HydrophobicContact CG2-CB 3.44Å; I152-N195 VanDerWaalsContact CG2-CB 3.44Å; S153-N195 PolarHBondContact OG-ND2 2.95Å; R156-N195 HydrophobicContact CB-CB 4.41Å; R156-N195 PolarHBondContact NE-O 3.3Å; R156-N195 PolarHBondContact NH2-O 3.16Å; Q191-N195 WeakPolarHBondContact O-CB 3.3Å; Q191-N195 PolarHBondContact O-N 3.02Å; Q191-N195 VanDerWaalsContact O-N 3.11Å; Q191-N195 PolarHBondContact O-ND2 3.38Å; L192-N195 PolarHBondContact O-N 3Å
196T97.4Very high96.5Very high7 Ų715.7 Ų15.74%0.0438%0.079CC..  trans-108154.6178.770.10000112.6I152 M164 T166 L192 T199 H264I152-T196 HydrophobicContact CD1-CG2 4.05Å; I152-T196 HydrophobicContact CG2-CG2 3.91Å; M164-T196 HydrophobicContact CG-CG2 4.05Å; T166-T196 HydrophobicContact CG2-CG2 3.51Å; L192-T196 HydrophobicContact CB-CG2 4.38Å; L192-T196 HydrophobicContact CD2-CG2 3.5Å; L192-T196 VanDerWaalsContact CD2-CG2 3.5Å; L192-T196 WeakPolarHBondContact O-CB 3.04Å; L192-T196 PolarHBondContact O-N 2.83Å; L192-T196 PolarHBondContact O-OG1 2.96Å; T196-T199 PolarHBondContact OG1-OG1 2.7Å; T196-H264 PolarHBondContact O-CE1 2.95Å; T196-H264 PolarHBondContact O-ND1 3.21Å; T196-H264 PolarHBondContact OG1-CE1 3.45Å; T196-H264 PolarHBondContact OG1-NE2 3.35Å
197D96.9Very high96.3Very high49 Ų4915.7 Ų15.726%0.2628%0.08SC..SBendtrans-105.5-26.5174.9-55.5-69.6000112.2R156 I163 M164 H264R156-D197 IonicContact CZ-OD1 3.53Å; R156-D197 IonicContact CZ-OD2 3.75Å; R156-D197 IonicContact NH1-OD1 3.84Å; R156-D197 IonicContact NH1-OD2 2.66Å; R156-D197 PolarHBondContact NH1-OD2 3.09Å; R156-D197 IonicContact NH2-OD1 3.62Å; R156-D197 PolarHBondContact NH2-OD1 3.21Å; R156-D197 IonicContact NH2-OD2 2.78Å; R156-D197 PolarHBondContact NH2-OD2 2.88Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.39Å; I163-D197 HydrophobicContact CD1-CB 3.38Å; I163-D197 HydrophobicContact CG1-CB 3.95Å; M164-D197 PolarHBondContact N-OD2 2.82Å; M164-D197 PolarHBondContact O-N 2.89Å; D197-H264 VanDerWaalsContact O-CB 3.24Å; D197-H264 WeakPolarHBondContact O-CB 3.28Å
198E96.5Very high96Very high0 Ų019.8 Ų19.80%010%0.096CC..EExtended strand (participates in β ladder)trans-142.5121.9178.5-65-173.2-172.800108.4M164 N165 T166 Y200 A254 F266M164-E198 PolarHBondContact O-N 3.5Å; N165-E198 CarbonylContact C-O 3.46Å; N165-E198 WeakPolarHBondContact CA-O 3.28Å; N165-E198 HydrophobicContact CB-CB 4.4Å; N165-E198 PolarHBondContact OD1-O 3.29Å; N165-E198 VanDerWaalsContact OD1-O 3.12Å; T166-E198 PolarHBondContact N-O 3.44Å; E198-Y200 HydrophobicContact CB-CE2 4.11Å; E198-Y200 PolarHBondContact OE2-OH 2.83Å; E198-A254 HydrophobicContact CG-CB 4.04Å; E198-A254 WeakPolarHBondContact OE1-CA 3.41Å; E198-A254 WeakPolarHBondContact OE1-CB 3.44Å; E198-A254 PolarHBondContact OE1-N 2.88Å; E198-F266 HydrophobicContact CB-CD2 4.45Å; E198-F266 HydrophobicContact CB-CE2 3.76Å; E198-F266 HydrophobicContact CG-CE2 3.78Å; E198-F266 HydrophobicContact CG-CZ 4.33Å
199T97.9Very high95.8Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-125.6107.7176.4-71.80000110.5T166 L192 T196 C201 H264 F265 F266T166-T199 WeakPolarHBondContact OG1-CB 3.49Å; T166-T199 VanDerWaalsContact OG1-CG2 3.32Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.37Å; T166-T199 PolarHBondContact OG1-OG1 2.93Å; L192-T199 HydrophobicContact CD1-CG2 4.37Å; T196-T199 PolarHBondContact OG1-OG1 2.7Å; T199-C201 PolarHBondContact O-N 2.87Å; T199-H264 PolarHBondContact N-O 2.99Å; T199-F265 HydrophobicContact CG2-CD1 3.49Å; T199-F265 VanDerWaalsContact CG2-CD1 3.49Å; T199-F265 HydrophobicContact CG2-CE1 3.67Å; T199-F265 CarbonylContact O-C 3.56Å; T199-F265 WeakPolarHBondContact O-CA 3.38Å; T199-F266 PolarHBondContact O-N 2.67Å
200Y97.7Very high95.6Very high0 Ų021.9 Ų21.90%011%0.107CC..EExtended strand (participates in β ladder)trans-82.4103.6174.8-62.3-91.1000109.3N165 T166 F167 S168 E198 V236 L253 F266 P268 I368N165-Y200 WeakPolarHBondContact OD1-CD2 3.4Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.39Å; T166-Y200 WeakPolarHBondContact O-CD2 3.26Å; T166-Y200 PolarHBondContact O-N 2.93Å; F167-Y200 HydrophobicContact CD1-CD2 4.16Å; F167-Y200 AromaticContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CE1-CD1 4.19Å; F167-Y200 AromaticContact CE1-CD2 3.81Å; F167-Y200 HydrophobicContact CE1-CD2 3.81Å; F167-Y200 AromaticContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE2-CD2 4.46Å; F167-Y200 AromaticContact CZ-CD2 3.98Å; F167-Y200 HydrophobicContact CZ-CD2 3.98Å; F167-Y200 HydrophobicContact CZ-CE2 4.35Å; F167-Y200 HydrophobicContact CZ-CG 4.26Å; S168-Y200 PolarHBondContact N-O 2.89Å; E198-Y200 HydrophobicContact CB-CE2 4.11Å; E198-Y200 PolarHBondContact OE2-OH 2.83Å; Y200-V236 HydrophobicContact CD1-CG2 4.19Å; Y200-V236 HydrophobicContact CE1-CB 4.48Å; Y200-V236 HydrophobicContact CE1-CG1 3.72Å; Y200-V236 HydrophobicContact CE1-CG2 3.85Å; Y200-V236 HydrophobicContact CE2-CG1 4.04Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.46Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.32Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.29Å; Y200-F266 HydrophobicContact CD1-CB 4.07Å; Y200-F266 HydrophobicContact CD1-CD2 4.03Å; Y200-F266 HydrophobicContact CD2-CD2 4.49Å; Y200-F266 HydrophobicContact CE1-CB 4.36Å; Y200-F266 AromaticContact CE1-CD2 3.7Å; Y200-F266 HydrophobicContact CE1-CD2 3.7Å; Y200-F266 HydrophobicContact CE1-CE2 4.49Å; Y200-F266 HydrophobicContact CE1-CG 4.44Å; Y200-F266 HydrophobicContact CE2-CD2 4.15Å; Y200-F266 HydrophobicContact CG-CD2 4.41Å; Y200-F266 AromaticContact CZ-CD2 3.74Å; Y200-P268 HydrophobicContact CD1-CB 4.28Å; Y200-I368 HydrophobicContact CD1-CG2 4.37Å; Y200-I368 HydrophobicContact CE1-CB 4.44Å; Y200-I368 HydrophobicContact CE1-CD1 3.87Å; Y200-I368 HydrophobicContact CE1-CG1 3.95Å; Y200-I368 HydrophobicContact CE1-CG2 3.67Å
201C97.5Very high95.4Very high2 Ų220.6 Ų20.61%0.01410%0.101CC..EExtended strand (participates in β ladder)trans-78121.7179.8-64.80000110.9V170 T199 F266 P268 I374V170-C201 HydrophobicContact CG2-CB 4.33Å; T199-C201 PolarHBondContact O-N 2.87Å; C201-F266 PolarHBondContact N-O 3.38Å; C201-P268 WeakPolarHBondContact O-CD 3.43Å; C201-I374 HydrophobicContact CB-CD1 3.96Å
202I96.4Very high95.2Very high1 Ų123.9 Ų23.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-121.8115.1-179.5-61163.5000108.3F167 S168 V169 V170 L207 V229 P268F167-I202 HydrophobicContact CB-CD1 4.12Å; F167-I202 HydrophobicContact CD1-CD1 4.05Å; S168-I202 PolarHBondContact O-N 2.75Å; V169-I202 CarbonylContact C-O 3.6Å; V169-I202 WeakPolarHBondContact CA-O 3.43Å; V169-I202 HydrophobicContact CG2-CB 4.41Å; V169-I202 HydrophobicContact CG2-CG2 4.48Å; V170-I202 PolarHBondContact N-O 2.97Å; I202-L207 HydrophobicContact CG2-CD1 3.52Å; I202-L207 HydrophobicContact CG2-CD2 4.18Å; I202-L207 HydrophobicContact CG2-CG 3.98Å; I202-V229 HydrophobicContact CD1-CG1 3.58Å; I202-V229 HydrophobicContact CD1-CG2 4.43Å; I202-V229 HydrophobicContact CG2-CG2 3.67Å; I202-P268 HydrophobicContact CG1-CG 4.12Å
203D94.7Very high94.8Very high0 Ų030.8 Ų30.80%014%0.141CC..EExtended strand (participates in β ladder)trans-99.3122.1-176.2-169.7-47.6000111.3E205 A206 L207 M300 A302 L377 R380D203-E205 PolarHBondContact O-N 2.78Å; D203-E205 WeakPolarHBondContact OD1-CA 3.33Å; D203-E205 WeakPolarHBondContact OD1-CB 3.03Å; D203-E205 PolarHBondContact OD1-N 3.3Å; D203-A206 HydrophobicContact CB-CB 4.04Å; D203-A206 PolarHBondContact O-N 3.2Å; D203-A206 VanDerWaalsContact O-N 3.1Å; D203-L207 WeakPolarHBondContact O-CG 3.25Å; D203-L207 PolarHBondContact O-N 2.88Å; D203-M300 WeakPolarHBondContact CB-O 3.15Å; D203-M300 PolarHBondContact N-O 3.48Å; D203-A302 HydrophobicContact CB-CB 4.19Å; D203-A302 WeakPolarHBondContact OD2-CB 3.15Å; D203-L377 HydrophobicContact CB-CD1 4.35Å; D203-R380 IonicContact OD1-NH1 2.64Å; D203-R380 IonicContact OD2-CZ 2.99Å; D203-R380 VanDerWaalsContact OD2-CZ 3.26Å; D203-R380 IonicContact OD2-NH1 3.55Å; D203-R380 PolarHBondContact OD2-NH1 2.77Å; D203-R380 IonicContact OD2-NH2 2.56Å; D203-R380 PolarHBondContact OD2-NH2 3.36Å
204N91.7Very high94.6Very high14 Ų1432 Ų328%0.07515%0.148CC..Hα-helixtrans-58.7-32.1178.3-83.5-25.6000113.6V169 V170 V175 Y208V169-N204 WeakPolarHBondContact CG1-OD1 2.99Å; V170-N204 PolarHBondContact O-N 2.84Å; V175-N204 HydrophobicContact CB-CB 4.33Å; V175-N204 HydrophobicContact CG1-CB 4.23Å; N204-Y208 VanDerWaalsContact O-CB 3.28Å; N204-Y208 WeakPolarHBondContact O-CB 3.42Å; N204-Y208 PolarHBondContact O-N 3.18Å
205E92Very high94.4Very high32 Ų3228.3 Ų28.315%0.1513%0.132CC..Hα-helixtrans-64.7-46.8174.8-162.8169.4157.600111.2S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.49Å; S172-E205 PolarHBondContact OG-OE2 3.29Å; K174-E205 HydrophobicContact CD-CG 4.41Å; K174-E205 WeakPolarHBondContact CD-OE1 3.23Å; K174-E205 WeakPolarHBondContact CE-OE1 3.27Å; K174-E205 IonicContact NZ-OE1 3.3Å; K174-E205 PolarHBondContact NZ-OE1 3.08Å; D203-E205 PolarHBondContact O-N 2.78Å; D203-E205 WeakPolarHBondContact OD1-CA 3.33Å; D203-E205 WeakPolarHBondContact OD1-CB 3.03Å; D203-E205 PolarHBondContact OD1-N 3.3Å; E205-Y208 PolarHBondContact O-N 3.21Å; E205-D209 WeakPolarHBondContact O-CB 3.36Å; E205-D209 PolarHBondContact O-N 3Å; E205-A302 HydrophobicContact CB-CB 4.39Å; E205-R380 IonicContact OE2-NH1 3.94Å; E205-R380 PolarHBondContact OE2-NH1 2.9Å
206A93.3Very high94.2Very high10 Ų1033.9 Ų33.98%0.08316%0.155CC..Hα-helixtrans-65-44179.300000111D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.04Å; D203-A206 PolarHBondContact O-N 3.2Å; D203-A206 VanDerWaalsContact O-N 3.1Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 3.48Å; A206-D209 PolarHBondContact O-N 3.38Å; A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.39Å; A206-I210 PolarHBondContact O-N 3.18Å; A206-A302 HydrophobicContact CB-CB 4.22Å
207L94.3Very high93.9Very high1 Ų135.5 Ų35.51%0.00516%0.163CC..Hα-helixtrans-59.4-45.5174.9-65.9178.3000111.7I202 D203 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.52Å; I202-L207 HydrophobicContact CG2-CD2 4.18Å; I202-L207 HydrophobicContact CG2-CG 3.98Å; D203-L207 WeakPolarHBondContact O-CG 3.25Å; D203-L207 PolarHBondContact O-N 2.88Å; L207-I210 PolarHBondContact O-N 3.33Å; L207-C211 WeakPolarHBondContact O-CB 3.39Å; L207-C211 PolarHBondContact O-N 3.27Å; L207-C211 PolarHBondContact O-SG 3.24Å; L207-L225 HydrophobicContact CB-CB 4.35Å; L207-L225 HydrophobicContact CB-CD1 4.25Å; L207-L225 HydrophobicContact CB-CD2 3.98Å; L207-L225 HydrophobicContact CB-CG 4.39Å; L207-L225 HydrophobicContact CD1-CB 4.16Å; L207-L228 HydrophobicContact CD2-CD2 3.74Å; L207-L228 HydrophobicContact CD2-CG 4.06Å; L207-V229 HydrophobicContact CD1-CG2 3.48Å; L207-V229 VanDerWaalsContact CD1-CG2 3.48Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.4Å; L207-M300 HydrophobicContact CD2-CB 4.13Å; L207-M300 HydrophobicContact CD2-CG 3.95Å; L207-M300 HydrophobicContact CD2-SD 3.75Å
208Y92.3Very high93.5Very high88 Ų8838.8 Ų38.835%0.34519%0.185SC..Hα-helixtrans-61.4-46177.7-171.3-84.7000111.4N204 E205 A206 I210 C211 F212 P220N204-Y208 VanDerWaalsContact O-CB 3.28Å; N204-Y208 WeakPolarHBondContact O-CB 3.42Å; N204-Y208 PolarHBondContact O-N 3.18Å; E205-Y208 PolarHBondContact O-N 3.21Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 3.48Å; Y208-I210 PolarHBondContact O-N 3.2Å; Y208-C211 PolarHBondContact O-N 2.85Å; Y208-F212 HydrophobicContact CD1-CB 4.4Å; Y208-F212 HydrophobicContact CE1-CB 4.22Å; Y208-F212 HydrophobicContact CE1-CG 4.5Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.49Å; Y208-F212 PolarHBondContact O-N 2.81Å; Y208-P220 HydrophobicContact CD2-CB 3.94Å; Y208-P220 HydrophobicContact CD2-CG 4.16Å; Y208-P220 HydrophobicContact CE1-CG 4.48Å; Y208-P220 HydrophobicContact CE2-CB 3.9Å; Y208-P220 HydrophobicContact CE2-CG 3.9Å
209D92.9Very high93.2Very high48 Ų4843.9 Ų43.926%0.25722%0.216SC..Hα-helixtrans-63-39.6177.9-98.2-3.4000112E205 A206 R213E205-D209 WeakPolarHBondContact O-CB 3.36Å; E205-D209 PolarHBondContact O-N 3Å; A206-D209 PolarHBondContact O-N 3.38Å; D209-R213 VanDerWaalsContact CG-CZ 3.48Å; D209-R213 WeakPolarHBondContact O-CA 3.37Å; D209-R213 WeakPolarHBondContact O-CB 3.27Å; D209-R213 WeakPolarHBondContact O-CG 3.03Å; D209-R213 PolarHBondContact O-N 2.82Å; D209-R213 IonicContact OD1-CZ 3.51Å; D209-R213 VanDerWaalsContact OD1-CZ 3.31Å; D209-R213 IonicContact OD1-NE 2.94Å; D209-R213 IonicContact OD1-NH1 3.16Å; D209-R213 IonicContact OD1-NH2 2.65Å; D209-R213 PolarHBondContact OD1-NH2 2.79Å; D209-R213 IonicContact OD2-CZ 3.64Å; D209-R213 IonicContact OD2-NE 3.89Å; D209-R213 IonicContact OD2-NH1 3.98Å; D209-R213 PolarHBondContact OD2-NH1 2.56Å; D209-R213 IonicContact OD2-NH2 3.58Å; D209-R213 PolarHBondContact OD2-NH2 3.13Å
210I94Very high92.9Very high1 Ų144.7 Ų44.71%0.00522%0.222CC..Iπ-helixtrans-61.1-51.7173.5-71.6163.8000110.3A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.39Å; A206-I210 PolarHBondContact O-N 3.18Å; L207-I210 PolarHBondContact O-N 3.33Å; Y208-I210 PolarHBondContact O-N 3.2Å; I210-F212 PolarHBondContact O-N 3.43Å; I210-T214 CarbonylContact O-C 3.54Å; I210-T214 WeakPolarHBondContact O-CA 3.36Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.38Å; I210-T214 PolarHBondContact O-N 2.97Å; I210-L215 HydrophobicContact CG2-CD1 4.5Å; I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.26Å; I210-L228 HydrophobicContact CB-CD2 4.03Å; I210-L228 HydrophobicContact CD1-CD2 4.16Å; I210-L228 HydrophobicContact CG2-CD2 3.55Å; I210-L273 HydrophobicContact CG2-CD1 3.78Å; I210-L273 HydrophobicContact CG2-CD2 4.3Å; I210-K297 VanDerWaalsContact CG1-O 3.26Å; I210-K297 WeakPolarHBondContact CG1-O 3.24Å; I210-M300 HydrophobicContact CD1-CG 4.26Å
211C93.4Very high92.6Very high1 Ų148.4 Ų48.41%0.00724%0.244CC..Iπ-helixtrans-60.9-44.6-179.2-76.60000111.8L207 Y208 L215 K216 L217 P220 L225L207-C211 WeakPolarHBondContact O-CB 3.39Å; L207-C211 PolarHBondContact O-N 3.27Å; L207-C211 PolarHBondContact O-SG 3.24Å; Y208-C211 PolarHBondContact O-N 2.85Å; C211-L215 CarbonylContact O-C 3.51Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; C211-K216 PolarHBondContact O-N 3.46Å; C211-L217 HydrophobicContact CB-CD1 4.09Å; C211-L217 WeakPolarHBondContact O-CB 3.27Å; C211-L217 WeakPolarHBondContact O-CG 3.32Å; C211-L217 PolarHBondContact O-N 2.83Å; C211-P220 HydrophobicContact CB-CB 3.68Å; C211-P220 HydrophobicContact CB-CG 3.77Å; C211-L225 HydrophobicContact CB-CD2 4.09Å
212F92.9Very high92.2Very high98 Ų9853.7 Ų53.743%0.4327%0.265SS..Iπ-helixtrans-72.9-53.2-178.5-176.7-107.9000112.4Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.4Å; Y208-F212 HydrophobicContact CE1-CB 4.22Å; Y208-F212 HydrophobicContact CE1-CG 4.5Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.49Å; Y208-F212 PolarHBondContact O-N 2.81Å; I210-F212 PolarHBondContact O-N 3.43Å; F212-K216 VanDerWaalsContact O-CA 3.31Å; F212-K216 WeakPolarHBondContact O-CA 3.36Å; F212-K216 PolarHBondContact O-N 3.33Å; F212-L217 WeakPolarHBondContact CA-O 3.24Å; F212-L217 VanDerWaalsContact CD2-O 3.26Å; F212-L217 WeakPolarHBondContact CD2-O 3.29Å; F212-P220 HydrophobicContact CB-CG 3.95Å
213R90.9Very high92Very high145 Ų14555.8 Ų55.855%0.54729%0.287SS..Iπ-helixtrans-86.1-43.3-171-60-176.9178.7149.212113D209 K216D209-R213 VanDerWaalsContact CG-CZ 3.48Å; D209-R213 WeakPolarHBondContact O-CA 3.37Å; D209-R213 WeakPolarHBondContact O-CB 3.27Å; D209-R213 WeakPolarHBondContact O-CG 3.03Å; D209-R213 PolarHBondContact O-N 2.82Å; D209-R213 IonicContact OD1-CZ 3.51Å; D209-R213 VanDerWaalsContact OD1-CZ 3.31Å; D209-R213 IonicContact OD1-NE 2.94Å; D209-R213 IonicContact OD1-NH1 3.16Å; D209-R213 IonicContact OD1-NH2 2.65Å; D209-R213 PolarHBondContact OD1-NH2 2.79Å; D209-R213 IonicContact OD2-CZ 3.64Å; D209-R213 IonicContact OD2-NE 3.89Å; D209-R213 IonicContact OD2-NH1 3.98Å; D209-R213 PolarHBondContact OD2-NH1 2.56Å; D209-R213 IonicContact OD2-NH2 3.58Å; D209-R213 PolarHBondContact OD2-NH2 3.13Å; R213-K216 VanDerWaalsContact O-CD 3.29Å; R213-K216 WeakPolarHBondContact O-CD 3.49Å; R213-K216 WeakPolarHBondContact O-CE 3.5Å; R213-K216 PolarHBondContact O-NZ 3.25Å
214T91.2Very high92Very high35 Ų3558 Ų5822%0.21530%0.299CS..Iπ-helixtrans-89-49.4-173.1-55.40000110.8I210 K216 L273I210-T214 CarbonylContact O-C 3.54Å; I210-T214 WeakPolarHBondContact O-CA 3.36Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.38Å; I210-T214 PolarHBondContact O-N 2.97Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 3.21Å; T214-L273 HydrophobicContact CG2-CB 3.71Å; T214-L273 WeakPolarHBondContact CG2-O 3.44Å
215L91.6Very high92.1Very high38 Ų3857.5 Ų57.520%0.19930%0.296CS..SBendtrans-82.1-9.4179-55.6-178.7000113.5I210 C211 L217 L273 S275I210-L215 HydrophobicContact CG2-CD1 4.5Å; I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.26Å; C211-L215 CarbonylContact O-C 3.51Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 HydrophobicContact CB-CG 4.14Å; L215-L217 PolarHBondContact O-N 3.45Å; L215-L273 HydrophobicContact CD2-CB 4.19Å; L215-L273 HydrophobicContact CD2-CD2 4.33Å; L215-S275 VanDerWaalsContact O-CB 3.26Å; L215-S275 WeakPolarHBondContact O-CB 3.29Å
216K92.1Very high92.2Very high142 Ų14256.6 Ų56.662%0.61729%0.292SS*.  trans60.735177.9-55.5-61.9-176-163.40113.3C211 F212 R213 T214C211-K216 PolarHBondContact O-N 3.46Å; F212-K216 VanDerWaalsContact O-CA 3.31Å; F212-K216 WeakPolarHBondContact O-CA 3.36Å; F212-K216 PolarHBondContact O-N 3.33Å; R213-K216 VanDerWaalsContact O-CD 3.29Å; R213-K216 WeakPolarHBondContact O-CD 3.49Å; R213-K216 WeakPolarHBondContact O-CE 3.5Å; R213-K216 PolarHBondContact O-NZ 3.25Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 3.21Å
217L92.1Very high92.3Very high40 Ų4061 Ų6121%0.20931%0.311CS..  trans-80.8126172.8-55.5-176.3000109.2C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.09Å; C211-L217 WeakPolarHBondContact O-CB 3.27Å; C211-L217 WeakPolarHBondContact O-CG 3.32Å; C211-L217 PolarHBondContact O-N 2.83Å; F212-L217 WeakPolarHBondContact CA-O 3.24Å; F212-L217 VanDerWaalsContact CD2-O 3.26Å; F212-L217 WeakPolarHBondContact CD2-O 3.29Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 HydrophobicContact CB-CG 4.14Å; L215-L217 PolarHBondContact O-N 3.45Å; L217-P220 HydrophobicContact CB-CG 4.26Å; L217-D224 HydrophobicContact CD1-CB 3.88Å
218T88.8Confident92.3Very high118 Ų11861.4 Ų61.472%0.72431%0.313SS*.SBendtrans-71.1-33.2-176.148.90000113.1
219T89.6Confident92.5Very high107 Ų10757.2 Ų57.266%0.65630%0.297SS*.SBendtrans-139.479.6179.7510000108.8T221T219-T221 PolarHBondContact O-N 3.48Å
220P91.4Very high92.7Very high18 Ų1855 Ų5512%0.11728%0.284CS..  trans-55.1130.4176.2-23.533.2000111.1Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 3.94Å; Y208-P220 HydrophobicContact CD2-CG 4.16Å; Y208-P220 HydrophobicContact CE1-CG 4.48Å; Y208-P220 HydrophobicContact CE2-CB 3.9Å; Y208-P220 HydrophobicContact CE2-CG 3.9Å; C211-P220 HydrophobicContact CB-CB 3.68Å; C211-P220 HydrophobicContact CB-CG 3.77Å; F212-P220 HydrophobicContact CB-CG 3.95Å; L217-P220 HydrophobicContact CB-CG 4.26Å; P220-L225 HydrophobicContact CB-CD2 4.29Å
221T92.3Very high92.7Very high77 Ų7755.6 Ų55.647%0.47229%0.29SS..  trans-103.1162.3174.967.80000110.3T219 G223 D224 L225T219-T221 PolarHBondContact O-N 3.48Å; T221-G223 PolarHBondContact O-N 3.34Å; T221-G223 PolarHBondContact OG1-N 3.02Å; T221-D224 WeakPolarHBondContact CB-OD2 3.36Å; T221-D224 PolarHBondContact N-OD2 2.88Å; T221-D224 WeakPolarHBondContact O-CA 3.41Å; T221-D224 WeakPolarHBondContact O-CB 3.44Å; T221-D224 PolarHBondContact O-N 2.89Å; T221-D224 PolarHBondContact OG1-N 3.46Å; T221-D224 PolarHBondContact OG1-OD2 2.81Å; T221-L225 WeakPolarHBondContact O-CG 3.2Å; T221-L225 PolarHBondContact O-N 3.15Å; T221-L225 VanDerWaalsContact O-N 3.08Å
222Y89.6Confident92.8Very high113 Ų11355.6 Ų55.644%0.44329%0.29SS..Hα-helixtrans-57.2-28.6170.5-74.1-66.5000112.7D224 L225 N226Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 2.72Å; Y222-L225 HydrophobicContact CD1-CD1 4.16Å; Y222-L225 HydrophobicContact CE1-CD1 4.43Å; Y222-L225 PolarHBondContact O-N 3.28Å; Y222-N226 WeakPolarHBondContact O-CB 3.19Å; Y222-N226 PolarHBondContact O-N 3.1Å; Y222-N226 PolarHBondContact O-ND2 2.74Å; Y222-N226 PolarHBondContact O-OD1 3.24Å
223G92.1Very high92.9Very high45 Ų4551 Ų5146%0.46427%0.27SS..Hα-helixtrans-61.7-38.7172.100000113T221 H227T221-G223 PolarHBondContact O-N 3.34Å; T221-G223 PolarHBondContact OG1-N 3.02Å; G223-H227 WeakPolarHBondContact O-CB 3.07Å; G223-H227 PolarHBondContact O-N 3.28Å
224D93.3Very high93.1Very high48 Ų4844.1 Ų44.126%0.25724%0.244SC..Hα-helixtrans-69.7-42.8175.6-57.4-65.6000111.4L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.88Å; T221-D224 WeakPolarHBondContact CB-OD2 3.36Å; T221-D224 PolarHBondContact N-OD2 2.88Å; T221-D224 WeakPolarHBondContact O-CA 3.41Å; T221-D224 WeakPolarHBondContact O-CB 3.44Å; T221-D224 PolarHBondContact O-N 2.89Å; T221-D224 PolarHBondContact OG1-N 3.46Å; T221-D224 PolarHBondContact OG1-OD2 2.81Å; Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 2.72Å; D224-H227 PolarHBondContact O-N 2.99Å; D224-L228 PolarHBondContact O-N 2.81Å; D224-L228 VanDerWaalsContact O-N 3.14Å
225L93.9Very high93.2Very high3 Ų342.5 Ų42.52%0.01623%0.234CC..Hα-helixtrans-63.6-48.6177.9-53.4-164000110.7L207 C211 P220 T221 Y222 H227 L228 V229L207-L225 HydrophobicContact CB-CB 4.35Å; L207-L225 HydrophobicContact CB-CD1 4.25Å; L207-L225 HydrophobicContact CB-CD2 3.98Å; L207-L225 HydrophobicContact CB-CG 4.39Å; L207-L225 HydrophobicContact CD1-CB 4.16Å; C211-L225 HydrophobicContact CB-CD2 4.09Å; P220-L225 HydrophobicContact CB-CD2 4.29Å; T221-L225 WeakPolarHBondContact O-CG 3.2Å; T221-L225 PolarHBondContact O-N 3.15Å; T221-L225 VanDerWaalsContact O-N 3.08Å; Y222-L225 HydrophobicContact CD1-CD1 4.16Å; Y222-L225 HydrophobicContact CE1-CD1 4.43Å; Y222-L225 PolarHBondContact O-N 3.28Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 2.54Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 2.91Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.16Å
226N94.9Very high93.2Very high13 Ų1340.9 Ų40.97%0.0723%0.226CC..Hα-helixtrans-62-35.2179.2-66.1-11.5000111.5Q15 I16 Y222 V229 S230Q15-N226 WeakPolarHBondContact CB-ND2 3.39Å; Q15-N226 PolarHBondContact OE1-ND2 3.4Å; I16-N226 HydrophobicContact CG1-CB 4.2Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.11Å; Y222-N226 WeakPolarHBondContact O-CB 3.19Å; Y222-N226 PolarHBondContact O-N 3.1Å; Y222-N226 PolarHBondContact O-ND2 2.74Å; Y222-N226 PolarHBondContact O-OD1 3.24Å; N226-V229 PolarHBondContact O-N 3.2Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 3.2Å; N226-S230 PolarHBondContact O-N 2.79Å; N226-S230 PolarHBondContact O-OG 2.86Å
227H94.8Very high93.2Very high101 Ų10134.1 Ų34.147%0.46820%0.197SC..Hα-helixtrans-63.5-44.4173.3-178.149.7000111.8G223 D224 L225 V229 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.07Å; G223-H227 PolarHBondContact O-N 3.28Å; D224-H227 PolarHBondContact O-N 2.99Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 2.54Å; H227-V229 PolarHBondContact O-N 2.73Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 3.31Å; H227-S230 PolarHBondContact O-OG 2.73Å; H227-A231 PolarHBondContact O-N 3.27Å
228L94.7Very high93.1Very high10 Ų1032.2 Ų32.25%0.05219%0.187CC..Hα-helixtrans-63.5-41.5177.2-179.958.4000112.2L207 I210 D224 L225 A231 T232 L273 M300L207-L228 HydrophobicContact CD2-CD2 3.74Å; L207-L228 HydrophobicContact CD2-CG 4.06Å; I210-L228 HydrophobicContact CB-CD2 4.03Å; I210-L228 HydrophobicContact CD1-CD2 4.16Å; I210-L228 HydrophobicContact CG2-CD2 3.55Å; D224-L228 PolarHBondContact O-N 2.81Å; D224-L228 VanDerWaalsContact O-N 3.14Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 2.91Å; L228-A231 PolarHBondContact O-N 2.84Å; L228-T232 PolarHBondContact O-N 2.92Å; L228-T232 PolarHBondContact O-OG1 2.9Å; L228-L273 HydrophobicContact CD1-CD2 3.62Å; L228-M300 HydrophobicContact CD1-CE 3.4Å; L228-M300 VanDerWaalsContact CD1-CE 3.4Å; L228-M300 HydrophobicContact CD2-CE 4.01Å; L228-M300 HydrophobicContact CG-CE 3.42Å; L228-M300 VanDerWaalsContact CG-CE 3.42Å; L228-M300 HydrophobicContact CG-SD 4.28Å
229V96.8Very high93Very high1 Ų127 Ų271%0.00616%0.155CC..Hα-helixtrans-61.4-47.9173.4176.50000111I16 I202 L207 L225 N226 H227 A231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.24Å; I16-V229 HydrophobicContact CG2-CB 4.22Å; I16-V229 HydrophobicContact CG2-CG1 3.51Å; I202-V229 HydrophobicContact CD1-CG1 3.58Å; I202-V229 HydrophobicContact CD1-CG2 4.43Å; I202-V229 HydrophobicContact CG2-CG2 3.67Å; L207-V229 HydrophobicContact CD1-CG2 3.48Å; L207-V229 VanDerWaalsContact CD1-CG2 3.48Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.4Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.16Å; N226-V229 PolarHBondContact O-N 3.2Å; H227-V229 PolarHBondContact O-N 2.73Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.93Å; V229-T232 WeakPolarHBondContact O-CB 3.42Å; V229-T232 PolarHBondContact O-N 3.32Å; V229-M233 HydrophobicContact CG1-CG 4.13Å; V229-M233 HydrophobicContact CG1-SD 3.8Å; V229-M233 WeakPolarHBondContact O-CG 3.47Å; V229-M233 PolarHBondContact O-N 2.79Å
230S96.3Very high92.9Very high0 Ų022.5 Ų22.50%013%0.127CC..Hα-helixtrans-60.7-37.4-179.871.30000112.9K19 N226 H227 T232 M233 S234K19-S230 WeakPolarHBondContact CG-OG 3.42Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 3.2Å; N226-S230 PolarHBondContact O-N 2.79Å; N226-S230 PolarHBondContact O-OG 2.86Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 3.31Å; H227-S230 PolarHBondContact O-OG 2.73Å; S230-T232 VanDerWaalsContact C-N 3.3Å; S230-T232 PolarHBondContact O-N 2.87Å; S230-M233 PolarHBondContact O-N 2.98Å; S230-S234 WeakPolarHBondContact O-CB 3.26Å; S230-S234 PolarHBondContact O-N 3.07Å
231A94.2Very high92.9Very high15 Ų1521.7 Ų21.712%0.12412%0.121CC..Hα-helixtrans-63.1-40.5175.500000111H227 L228 V229 S234 G235 F270H227-A231 PolarHBondContact O-N 3.27Å; L228-A231 PolarHBondContact O-N 2.84Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.93Å; A231-S234 PolarHBondContact O-N 2.93Å; A231-S234 PolarHBondContact O-OG 2.79Å; A231-G235 PolarHBondContact O-N 3.39Å; A231-F270 HydrophobicContact CB-CD2 4.3Å; A231-F270 HydrophobicContact CB-CE2 4.17Å; A231-F270 HydrophobicContact CB-CZ 4.29Å
232T94.8Very high92.7Very high1 Ų118 Ų181%0.00610%0.099CC..Hα-helixtrans-69.1-46.6177.7-53.50000111.8L228 V229 S230 S234 G235 V236 P268 M300 T366L228-T232 PolarHBondContact O-N 2.92Å; L228-T232 PolarHBondContact O-OG1 2.9Å; V229-T232 WeakPolarHBondContact O-CB 3.42Å; V229-T232 PolarHBondContact O-N 3.32Å; S230-T232 VanDerWaalsContact C-N 3.3Å; S230-T232 PolarHBondContact O-N 2.87Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.1Å; T232-G235 WeakPolarHBondContact O-CA 3.34Å; T232-G235 PolarHBondContact O-N 3.47Å; T232-V236 WeakPolarHBondContact O-CG2 3.28Å; T232-V236 PolarHBondContact O-N 2.8Å; T232-P268 HydrophobicContact CG2-CB 3.69Å; T232-P268 HydrophobicContact CG2-CG 4.4Å; T232-M300 HydrophobicContact CG2-CE 4.38Å; T232-M300 HydrophobicContact CG2-SD 4.05Å; T232-M300 WeakPolarHBondContact OG1-CE 3.45Å; T232-M300 PolarHBondContact OG1-SD 3.06Å; T232-T366 HydrophobicContact CG2-CG2 4.17Å
233M96Very high92.1Very high0 Ų014.1 Ų14.10%09%0.087CC..Hα-helixtrans-57.4-42.9173.4-68.4172.171.700111.3I16 F20 T136 F167 V229 S230 G235 V236 T237I16-M233 HydrophobicContact CG2-CE 4.47Å; I16-M233 HydrophobicContact CG2-SD 3.46Å; I16-M233 WeakPolarHBondContact CG2-SD 3.14Å; F20-M233 HydrophobicContact CB-CE 4.03Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.19Å; F20-M233 HydrophobicContact CD2-CB 3.53Å; F20-M233 HydrophobicContact CD2-CE 4.02Å; F20-M233 HydrophobicContact CD2-SD 4.39Å; F20-M233 HydrophobicContact CE2-CB 3.79Å; F20-M233 HydrophobicContact CG-CB 4.42Å; F20-M233 HydrophobicContact CG-CE 3.81Å; F20-M233 HydrophobicContact CG-SD 4.42Å; T136-M233 HydrophobicContact CG2-CE 4.31Å; T136-M233 VanDerWaalsContact OG1-CE 3.24Å; T136-M233 WeakPolarHBondContact OG1-CE 3.21Å; F167-M233 HydrophobicContact CD1-CG 3.6Å; F167-M233 HydrophobicContact CD2-CE 3.84Å; F167-M233 HydrophobicContact CD2-CG 4.09Å; F167-M233 HydrophobicContact CE1-CB 4.29Å; F167-M233 HydrophobicContact CE1-CG 3.65Å; F167-M233 HydrophobicContact CE2-CE 4.26Å; F167-M233 HydrophobicContact CE2-CG 4.13Å; F167-M233 HydrophobicContact CG-CE 4.16Å; F167-M233 HydrophobicContact CG-CG 3.82Å; F167-M233 HydrophobicContact CG-SD 4.3Å; F167-M233 HydrophobicContact CZ-CB 4.21Å; F167-M233 HydrophobicContact CZ-CG 3.91Å; V229-M233 HydrophobicContact CG1-CG 4.13Å; V229-M233 HydrophobicContact CG1-SD 3.8Å; V229-M233 WeakPolarHBondContact O-CG 3.47Å; V229-M233 PolarHBondContact O-N 2.79Å; S230-M233 PolarHBondContact O-N 2.98Å; M233-G235 VanDerWaalsContact C-N 3.25Å; M233-G235 PolarHBondContact O-N 3.05Å; M233-V236 PolarHBondContact O-N 3.09Å; M233-T237 WeakPolarHBondContact O-CB 3.49Å; M233-T237 VanDerWaalsContact O-CG2 3.23Å; M233-T237 WeakPolarHBondContact O-CG2 3.14Å; M233-T237 PolarHBondContact O-N 3.12Å; M233-T237 PolarHBondContact O-OG1 2.84Å
234S94.6Very high90.9Very high2 Ų213.5 Ų13.51%0.0148%0.081CC..Hα-helixtrans-59.4-40.1175.583.50000111.4S230 A231 T232 T237 T238 R241 R318S230-S234 WeakPolarHBondContact O-CB 3.26Å; S230-S234 PolarHBondContact O-N 3.07Å; A231-S234 PolarHBondContact O-N 2.93Å; A231-S234 PolarHBondContact O-OG 2.79Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.1Å; S234-T237 PolarHBondContact O-OG1 2.8Å; S234-T238 PolarHBondContact O-N 2.91Å; S234-T238 VanDerWaalsContact O-N 3.14Å; S234-T238 PolarHBondContact O-OG1 2.88Å; S234-R241 PolarHBondContact O-NH2 3.42Å; S234-R318 PolarHBondContact OG-NH1 2.97Å
235G93.1Very high89.2Confident0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-63.9-52.7176.600000113.6A231 T232 M233 T237 T238 T366A231-G235 PolarHBondContact O-N 3.39Å; T232-G235 WeakPolarHBondContact O-CA 3.34Å; T232-G235 PolarHBondContact O-N 3.47Å; M233-G235 VanDerWaalsContact C-N 3.25Å; M233-G235 PolarHBondContact O-N 3.05Å; G235-T237 PolarHBondContact O-N 3.37Å; G235-T238 WeakPolarHBondContact CA-OG1 3.21Å; G235-T238 VanDerWaalsContact O-CB 3.23Å; G235-T238 WeakPolarHBondContact O-CB 3.04Å; G235-T238 PolarHBondContact O-N 3.29Å; G235-T238 VanDerWaalsContact O-N 3.14Å; G235-T238 PolarHBondContact O-OG1 2.97Å; G235-T238 VanDerWaalsContact O-OG1 3.04Å; G235-T366 VanDerWaalsContact CA-OG1 3.25Å; G235-T366 WeakPolarHBondContact CA-OG1 3.44Å
236V92Very high87.2Confident5 Ų521.9 Ų21.93%0.0312%0.12CC..Hα-helixtrans-56.1-42.3177.2173.10000110.9F167 Y200 T232 M233 T238 T366 I368F167-V236 HydrophobicContact CE1-CB 4.42Å; F167-V236 HydrophobicContact CE1-CG2 4.27Å; F167-V236 HydrophobicContact CZ-CB 4.04Å; F167-V236 HydrophobicContact CZ-CG1 3.93Å; F167-V236 HydrophobicContact CZ-CG2 4.39Å; Y200-V236 HydrophobicContact CD1-CG2 4.19Å; Y200-V236 HydrophobicContact CE1-CB 4.48Å; Y200-V236 HydrophobicContact CE1-CG1 3.72Å; Y200-V236 HydrophobicContact CE1-CG2 3.85Å; Y200-V236 HydrophobicContact CE2-CG1 4.04Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.46Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.32Å; T232-V236 WeakPolarHBondContact O-CG2 3.28Å; T232-V236 PolarHBondContact O-N 2.8Å; M233-V236 PolarHBondContact O-N 3.09Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.5Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; V236-I368 HydrophobicContact CG1-CD1 4.23Å; V236-I368 HydrophobicContact CG2-CD1 4.05Å; V236-I368 HydrophobicContact CG2-CG1 4.15Å
237T91.8Very high85.3Confident0 Ų022.1 Ų22.10%012%0.122CC..THydrogen-bonded Turntrans-85.10.7-176.261.70000114.1F20 Y50 M233 S234 G235 C239 L240 R241F20-T237 HydrophobicContact CZ-CG2 4.32Å; Y50-T237 HydrophobicContact CE2-CG2 4.3Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.19Å; M233-T237 WeakPolarHBondContact O-CB 3.49Å; M233-T237 VanDerWaalsContact O-CG2 3.23Å; M233-T237 WeakPolarHBondContact O-CG2 3.14Å; M233-T237 PolarHBondContact O-N 3.12Å; M233-T237 PolarHBondContact O-OG1 2.84Å; S234-T237 PolarHBondContact O-OG1 2.8Å; G235-T237 PolarHBondContact O-N 3.37Å; T237-C239 PolarHBondContact O-N 3.19Å; T237-L240 HydrophobicContact CG2-CD1 4.49Å; T237-L240 WeakPolarHBondContact O-CB 3.39Å; T237-L240 PolarHBondContact O-N 2.92Å; T237-R241 PolarHBondContact O-N 2.75Å; T237-R241 PolarHBondContact O-NE 3.5Å; T237-R241 PolarHBondContact OG1-NE 3.12Å
238T90.7Very high83.7Confident0 Ų018.7 Ų18.70%011%0.111CC..Hα-helixtrans-59.9-45.4-173.5-67.90000112.3S234 G235 V236 L240 R241 F242 R318 C354S234-T238 PolarHBondContact O-N 2.91Å; S234-T238 VanDerWaalsContact O-N 3.14Å; S234-T238 PolarHBondContact O-OG1 2.88Å; G235-T238 WeakPolarHBondContact CA-OG1 3.21Å; G235-T238 VanDerWaalsContact O-CB 3.23Å; G235-T238 WeakPolarHBondContact O-CB 3.04Å; G235-T238 PolarHBondContact O-N 3.29Å; G235-T238 VanDerWaalsContact O-N 3.14Å; G235-T238 PolarHBondContact O-OG1 2.97Å; G235-T238 VanDerWaalsContact O-OG1 3.04Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.5Å; T238-L240 PolarHBondContact O-N 3.02Å; T238-L240 VanDerWaalsContact O-N 3.14Å; T238-R241 PolarHBondContact O-N 2.89Å; T238-R241 VanDerWaalsContact O-N 3.11Å; T238-F242 HydrophobicContact CG2-CD2 4.16Å; T238-F242 PolarHBondContact O-N 3.02Å; T238-R318 HydrophobicContact CG2-CG 4.05Å; T238-R318 VanDerWaalsContact OG1-CD 3.28Å; T238-R318 WeakPolarHBondContact OG1-CD 3.4Å; T238-R318 VanDerWaalsContact OG1-CZ 3.31Å; T238-R318 PolarHBondContact OG1-NE 3.46Å; T238-R318 PolarHBondContact OG1-NH1 3.07Å; T238-C354 HydrophobicContact CG2-CB 3.64Å
239C85.7Confident82.7Confident9 Ų919.3 Ų19.36%0.06111%0.114CC..Hα-helixtrans-68.4-14.6-176.5-62.90000113.9R46 T237 N247R46-C239 PolarHBondContact NH1-O 3.07Å; T237-C239 PolarHBondContact O-N 3.19Å; C239-N247 WeakPolarHBondContact CB-O 3.3Å
240L88Confident81.9Confident12 Ų1219.4 Ų19.46%0.06311%0.114CC..Hα-helixtrans-84.2-37.3175.6-52.1167.4000110.5I4 R46 Y50 T237 T238 L250I4-L240 HydrophobicContact CD1-CD1 3.52Å; R46-L240 WeakPolarHBondContact CB-O 3.38Å; R46-L240 WeakPolarHBondContact CD-O 3.41Å; Y50-L240 HydrophobicContact CE2-CD1 4.44Å; T237-L240 HydrophobicContact CG2-CD1 4.49Å; T237-L240 WeakPolarHBondContact O-CB 3.39Å; T237-L240 PolarHBondContact O-N 2.92Å; T238-L240 PolarHBondContact O-N 3.02Å; T238-L240 VanDerWaalsContact O-N 3.14Å; L240-L250 HydrophobicContact CD1-CD1 4.29Å; L240-L250 HydrophobicContact CD1-CD2 3.91Å; L240-L250 HydrophobicContact CD1-CG 3.84Å; L240-L250 HydrophobicContact CD2-CG 4.15Å
241R90.4Very high81.4Confident1 Ų124.9 Ų24.90%0.00414%0.135CC..Hα-helixtrans-90.4-27.5-171.9-70.9-175.9-54.7104.6-3.1114.5E27 H28 R46 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 2.82Å; E27-R241 VanDerWaalsContact OE2-CZ 3.22Å; E27-R241 IonicContact OE2-NH1 3.98Å; E27-R241 PolarHBondContact OE2-NH1 3.19Å; E27-R241 IonicContact OE2-NH2 2.75Å; E27-R241 PolarHBondContact OE2-NH2 2.69Å; H28-R241 WeakPolarHBondContact NE2-CB 3.29Å; H28-R241 PolarHBondContact NE2-NH1 2.72Å; R46-R241 WeakPolarHBondContact CB-O 3.48Å; Y50-R241 HydrophobicContact CD2-CG 3.61Å; Y50-R241 HydrophobicContact CE2-CG 3.89Å; S234-R241 PolarHBondContact O-NH2 3.42Å; T237-R241 PolarHBondContact O-N 2.75Å; T237-R241 PolarHBondContact O-NE 3.5Å; T237-R241 PolarHBondContact OG1-NE 3.12Å; T238-R241 PolarHBondContact O-N 2.89Å; T238-R241 VanDerWaalsContact O-N 3.11Å
242F88.1Confident81Confident0 Ų028.7 Ų28.70%015%0.149CC..SBendtrans-129.2147.5-178.8-59.4-57.2000111.1E27 H28 L42 R46 T238 I356E27-F242 HydrophobicContact CB-CE2 4.36Å; E27-F242 HydrophobicContact CB-CZ 4.04Å; H28-F242 AromaticContact CE1-CD1 4Å; H28-F242 AromaticContact CE1-CE1 3.29Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.13Å; H28-F242 AromaticContact CE1-CZ 3.59Å; H28-F242 AromaticContact ND1-CE1 3.48Å; H28-F242 WeakPolarHBondContact ND1-CE1 3.44Å; H28-F242 AromaticContact ND1-CZ 3.86Å; H28-F242 AromaticContact NE2-CE1 3.97Å; H28-F242 AromaticContact NE2-CZ 3.79Å; L42-F242 WeakPolarHBondContact O-CD1 3.39Å; R46-F242 PolarHBondContact NH1-O 3.15Å; T238-F242 HydrophobicContact CG2-CD2 4.16Å; T238-F242 PolarHBondContact O-N 3.02Å; F242-I356 HydrophobicContact CB-CD1 4.02Å; F242-I356 HydrophobicContact CD1-CD1 3.38Å; F242-I356 HydrophobicContact CD2-CB 4.33Å; F242-I356 HydrophobicContact CD2-CD1 4.24Å; F242-I356 HydrophobicContact CD2-CG2 4.32Å; F242-I356 HydrophobicContact CE1-CD1 3.86Å; F242-I356 HydrophobicContact CE2-CG2 4.06Å; F242-I356 HydrophobicContact CG-CB 4.48Å; F242-I356 HydrophobicContact CG-CD1 3.61Å; F242-I356 HydrophobicContact CZ-CD1 4.45Å; F242-I356 HydrophobicContact CZ-CG2 4.24Å
243P77.5Confident80.7Confident31 Ų3129.2 Ų29.220%0.20115%0.152CC..  trans-61.2139.1167.930.5-37.8000110.1L42 E45L42-P243 HydrophobicContact CD2-CG 3.71Å; E45-P243 WeakPolarHBondContact OE2-CG 3.35Å
244G67.6Low80.3Confident31 Ų3129.9 Ų29.932%0.3216%0.157SC..  trans-160.9160179.500000109.9L246G244-L246 PolarHBondContact O-N 3.37Å
245Q57.3Low80.1Confident150 Ų15035.1 Ų35.170%0.70119%0.189SC*.SBendtrans-76.8-14.1-165.6-69.7-169.2-12.600114.7
246L51.7Low79.9Confident78 Ų7837.3 Ų37.341%0.40820%0.2SC..SBendtrans-150.6145.2176.5-12594.8000112.2G244 A352G244-L246 PolarHBondContact O-N 3.37Å; L246-A352 WeakPolarHBondContact O-CB 3.12Å
247N55.3Low80Confident18 Ų1837.1 Ų37.110%0.09620%0.199CC..  trans75.451.1171.3-53.9-25.6000118C239 D249C239-N247 WeakPolarHBondContact CB-O 3.3Å; N247-D249 PolarHBondContact O-N 3.1Å
248A60Low80.1Confident29 Ų2938.3 Ų38.324%0.2421%0.207CC..  trans-73.413.4-177.800000116.5R2R2-A248 VanDerWaalsContact NH1-C 3.33Å; R2-A248 PolarHBondContact NH1-O 3.2Å
249D75.7Confident80.2Confident23 Ų2340.5 Ų40.512%0.12322%0.221CC..  trans-154.4144.9175.856.894000114.6R2 Q131 N247 R251 K252 L253R2-D249 IonicContact CZ-OD2 2.82Å; R2-D249 VanDerWaalsContact NH1-CG 3.29Å; R2-D249 IonicContact NH1-OD2 3.85Å; R2-D249 PolarHBondContact NH1-OD2 2.76Å; R2-D249 IonicContact NH2-OD2 3.26Å; R2-D249 PolarHBondContact NH2-OD2 3.3Å; Q131-D249 VanDerWaalsContact NE2-CB 3.29Å; N247-D249 PolarHBondContact O-N 3.1Å; D249-R251 VanDerWaalsContact C-N 3.3Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 PolarHBondContact OD1-N 3.35Å; D249-K252 PolarHBondContact O-N 3.34Å; D249-K252 WeakPolarHBondContact OD1-CA 3.32Å; D249-K252 WeakPolarHBondContact OD1-CB 3.45Å; D249-K252 PolarHBondContact OD1-N 2.86Å; D249-L253 PolarHBondContact O-N 3.14Å
250L79.7Confident80.6Confident2 Ų243.9 Ų43.91%0.0124%0.235CC..Hα-helixtrans-54.4-39.6169.7-65.6178.4000112.7I4 I163 N165 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.51Å; I4-L250 HydrophobicContact CD1-CG 4.27Å; I4-L250 HydrophobicContact CG1-CD1 4.43Å; I163-L250 HydrophobicContact CG1-CB 4.38Å; I163-L250 HydrophobicContact CG2-CB 4.1Å; I163-L250 HydrophobicContact CG2-CD1 3.88Å; N165-L250 HydrophobicContact CB-CD1 4.37Å; L240-L250 HydrophobicContact CD1-CD1 4.29Å; L240-L250 HydrophobicContact CD1-CD2 3.91Å; L240-L250 HydrophobicContact CD1-CG 3.84Å; L240-L250 HydrophobicContact CD2-CG 4.15Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 2.95Å; L250-L253 HydrophobicContact CD2-CD2 4.38Å; L250-L253 CarbonylContact O-C 3.55Å; L250-L253 WeakPolarHBondContact O-CA 3.37Å; L250-L253 WeakPolarHBondContact O-CB 3.44Å; L250-L253 PolarHBondContact O-N 2.82Å; L250-A254 PolarHBondContact O-N 2.89Å
251R85.2Confident80.9Confident116 Ų11648.6 Ų48.644%0.43827%0.266SS..Hα-helixtrans-61.5-42-178.8-175.4176.8-59.9-80.4-2.2111.7D161 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 3.41Å; D249-R251 VanDerWaalsContact C-N 3.3Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 PolarHBondContact OD1-N 3.35Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-A254 PolarHBondContact O-N 3.1Å; R251-V255 VanDerWaalsContact O-CG2 3.25Å; R251-V255 WeakPolarHBondContact O-CG2 3.49Å; R251-V255 PolarHBondContact O-N 2.95Å
252K86.3Confident81.1Confident94 Ų9451.8 Ų51.841%0.40928%0.278SS..Hα-helixtrans-69.6-33.8174.7-179170.6-179.2174.40111D249 L250 N256D249-K252 PolarHBondContact O-N 3.34Å; D249-K252 WeakPolarHBondContact OD1-CA 3.32Å; D249-K252 WeakPolarHBondContact OD1-CB 3.45Å; D249-K252 PolarHBondContact OD1-N 2.86Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 2.95Å; K252-N256 WeakPolarHBondContact CG-ND2 3.49Å; K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 PolarHBondContact O-N 3.45Å; K252-N256 VanDerWaalsContact O-N 3.09Å; K252-N256 PolarHBondContact O-ND2 2.72Å
253L87.4Confident81.5Confident13 Ų1351.9 Ų51.97%0.06828%0.278CS..Hα-helixtrans-61.2-54.9171.3-172.963.3000109.9Y200 D249 L250 R251 V255 N256 M257 A314 I368Y200-L253 WeakPolarHBondContact OH-CD2 3.29Å; D249-L253 PolarHBondContact O-N 3.14Å; L250-L253 HydrophobicContact CD2-CD2 4.38Å; L250-L253 CarbonylContact O-C 3.55Å; L250-L253 WeakPolarHBondContact O-CA 3.37Å; L250-L253 WeakPolarHBondContact O-CB 3.44Å; L250-L253 PolarHBondContact O-N 2.82Å; R251-L253 VanDerWaalsContact C-N 3.33Å; L253-V255 PolarHBondContact O-N 2.75Å; L253-N256 PolarHBondContact O-N 3.09Å; L253-M257 HydrophobicContact CD1-CG 3.61Å; L253-M257 HydrophobicContact CG-CG 4.08Å; L253-M257 WeakPolarHBondContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CG 3.46Å; L253-M257 PolarHBondContact O-N 2.84Å; L253-A314 HydrophobicContact CD1-CB 4.13Å; L253-I368 HydrophobicContact CD1-CD1 4.4Å; L253-I368 HydrophobicContact CD2-CD1 4.05Å
254A89.1Confident82.5Confident13 Ų1350.4 Ų50.411%0.10727%0.268CS..Hα-helixtrans-50.2-53173.900000112.5I163 E198 L250 R251 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.02Å; E198-A254 HydrophobicContact CG-CB 4.04Å; E198-A254 WeakPolarHBondContact OE1-CA 3.41Å; E198-A254 WeakPolarHBondContact OE1-CB 3.44Å; E198-A254 PolarHBondContact OE1-N 2.88Å; L250-A254 PolarHBondContact O-N 2.89Å; R251-A254 PolarHBondContact O-N 3.1Å; A254-N256 PolarHBondContact O-N 3.06Å; A254-M257 PolarHBondContact O-N 3.21Å; A254-V258 WeakPolarHBondContact O-CB 3.25Å; A254-V258 PolarHBondContact O-N 2.85Å
255V89.9Confident83.9Confident113 Ų11349 Ų4969%0.68525%0.253SS*.Hα-helixtrans-58.6-34.2179.5168.80000112.8R251 L253R251-V255 VanDerWaalsContact O-CG2 3.25Å; R251-V255 WeakPolarHBondContact O-CG2 3.49Å; R251-V255 PolarHBondContact O-N 2.95Å; L253-V255 PolarHBondContact O-N 2.75Å
256N89.3Confident85.8Confident46 Ų4641.8 Ų41.825%0.24622%0.22CC..Hα-helixtrans-85.2-22.8178.7-74.2-58.7000113.4K252 L253 A254 T312 K350K252-N256 WeakPolarHBondContact CG-ND2 3.49Å; K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 PolarHBondContact O-N 3.45Å; K252-N256 VanDerWaalsContact O-N 3.09Å; K252-N256 PolarHBondContact O-ND2 2.72Å; L253-N256 PolarHBondContact O-N 3.09Å; A254-N256 PolarHBondContact O-N 3.06Å; N256-T312 WeakPolarHBondContact O-CG2 3.18Å; N256-K350 HydrophobicContact CB-CG 4.14Å; N256-K350 VanDerWaalsContact OD1-CE 3.3Å; N256-K350 WeakPolarHBondContact OD1-CE 3.48Å
257M92.2Very high87.9Confident0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-107.8-21.7-168.4-66.6-60.1-64.100113.4L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.61Å; L253-M257 HydrophobicContact CG-CG 4.08Å; L253-M257 WeakPolarHBondContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CG 3.46Å; L253-M257 PolarHBondContact O-N 2.84Å; A254-M257 PolarHBondContact O-N 3.21Å; M257-P259 WeakPolarHBondContact O-CD 3.4Å; M257-F266 HydrophobicContact CB-CE1 3.76Å; M257-F266 HydrophobicContact CB-CZ 3.65Å; M257-T312 VanDerWaalsContact CA-OG1 3.26Å; M257-T312 WeakPolarHBondContact CA-OG1 3.24Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.08Å; M257-T312 PolarHBondContact O-OG1 3.43Å; M257-A314 HydrophobicContact CE-CB 4Å; M257-A314 HydrophobicContact CG-CB 4.46Å; M257-A314 HydrophobicContact SD-CB 3.59Å; M257-A314 VanDerWaalsContact SD-CB 3.59Å; M257-I368 HydrophobicContact CE-CB 4.31Å; M257-I368 HydrophobicContact CE-CG2 3.97Å; M257-I368 VanDerWaalsContact CE-O 3.26Å; M257-I368 WeakPolarHBondContact CE-O 3.12Å; M257-N370 PolarHBondContact O-ND2 2.97Å
258V94.6Very high89.8Confident26 Ų2637.2 Ų37.216%0.15820%0.196CC..  trans-113.996.3-174.2-175.50000108.8A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.25Å; A254-V258 PolarHBondContact O-N 2.85Å; V258-F260 WeakPolarHBondContact CG1-O 3.29Å; V258-H264 HydrophobicContact CG1-CB 3.88Å; V258-H264 HydrophobicContact CG2-CB 3.9Å; V258-F266 HydrophobicContact CG2-CE1 4.03Å; V258-F266 HydrophobicContact CG2-CZ 3.57Å
259P92.8Very high91.5Very high46 Ų4636 Ų3630%0.29919%0.186SC..SBendtrans-70.5-35178.127.4-33.2000112.2M257 L311 W344 I345M257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-L311 HydrophobicContact CG-CB 4.2Å; P259-L311 HydrophobicContact CG-CD1 3.91Å; P259-W344 HydrophobicContact CB-CH2 4.35Å; P259-W344 HydrophobicContact CB-CZ3 4.41Å; P259-W344 HydrophobicContact CG-CH2 4.49Å; P259-I345 HydrophobicContact CB-CD1 3.76Å; P259-I345 HydrophobicContact CG-CD1 3.96Å
260F94.5Very high92.4Very high80 Ų8035.6 Ų35.635%0.35118%0.183SC..SBendtrans-128.3136.8178.9-60.6-72.9000109.6V258 R262 L263 W344 T425V258-F260 WeakPolarHBondContact CG1-O 3.29Å; F260-R262 PolarHBondContact O-N 3.33Å; F260-R262 VanDerWaalsContact O-N 3.07Å; F260-L263 HydrophobicContact CB-CB 4.38Å; F260-L263 HydrophobicContact CB-CD1 4.35Å; F260-L263 HydrophobicContact CB-CG 4.05Å; F260-L263 HydrophobicContact CD2-CD1 3.9Å; F260-L263 PolarHBondContact O-N 2.68Å; F260-W344 AromaticContact CE2-CH2 3.75Å; F260-W344 HydrophobicContact CE2-CH2 3.75Å; F260-W344 HydrophobicContact CE2-CZ3 4.05Å; F260-W344 HydrophobicContact CZ-CH2 4.49Å; F260-W344 HydrophobicContact CZ-CZ3 4.38Å; F260-T425 HydrophobicContact CE2-CG2 4.46Å
261P93.8Very high93.1Very high110 Ų11035.5 Ų35.571%0.71418%0.183SC*.THydrogen-bonded Turntrans-53.5-34.4-172.5-29.935.5000115.3H264P261-H264 PolarHBondContact O-ND1 2.83Å
262R96.1Very high93.6Very high69 Ų6930.7 Ų30.726%0.2617%0.167SC..THydrogen-bonded Turntrans-79.1-21.8178.8-66.1-178.672174.33.6113.6V193 F260 H264 N414 L418 E421V193-R262 HydrophobicContact CG1-CB 4.36Å; V193-R262 HydrophobicContact CG1-CG 4.06Å; F260-R262 PolarHBondContact O-N 3.33Å; F260-R262 VanDerWaalsContact O-N 3.07Å; R262-H264 VanDerWaalsContact C-N 3.26Å; R262-H264 PolarHBondContact O-N 2.94Å; R262-N414 PolarHBondContact NH2-OD1 2.51Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 WeakPolarHBondContact O-CD1 3.32Å; R262-E421 WeakPolarHBondContact CB-OE2 3.46Å; R262-E421 WeakPolarHBondContact CD-OE1 3.49Å; R262-E421 WeakPolarHBondContact CD-OE2 3.33Å; R262-E421 IonicContact CZ-OE1 2.64Å; R262-E421 IonicContact CZ-OE2 3.15Å; R262-E421 IonicContact NE-OE1 3.31Å; R262-E421 PolarHBondContact NE-OE1 3.41Å; R262-E421 IonicContact NE-OE2 3.41Å; R262-E421 IonicContact NH1-OE1 3.71Å; R262-E421 PolarHBondContact NH1-OE1 3.32Å
263L96.3Very high93.8Very high1 Ų126.8 Ų26.81%0.00515%0.15CC..  trans-92.548.2-177.7-51.9-167.2000111.2F260 L311 N370 L418 E421 Y422 T425F260-L263 HydrophobicContact CB-CB 4.38Å; F260-L263 HydrophobicContact CB-CD1 4.35Å; F260-L263 HydrophobicContact CB-CG 4.05Å; F260-L263 HydrophobicContact CD2-CD1 3.9Å; F260-L263 PolarHBondContact O-N 2.68Å; L263-L311 HydrophobicContact CB-CD1 4.31Å; L263-L311 HydrophobicContact CD1-CD1 3.87Å; L263-N370 PolarHBondContact O-ND2 3.35Å; L263-L418 HydrophobicContact CD2-CD1 4.15Å; L263-E421 HydrophobicContact CD2-CB 4.07Å; L263-Y422 WeakPolarHBondContact CA-OH 3.42Å; L263-Y422 HydrophobicContact CB-CE1 3.96Å; L263-Y422 HydrophobicContact CD1-CD1 4.17Å; L263-Y422 HydrophobicContact CD1-CE1 4.19Å; L263-Y422 HydrophobicContact CD2-CD1 3.91Å; L263-Y422 HydrophobicContact CD2-CD2 3.8Å; L263-Y422 HydrophobicContact CD2-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CE2 3.66Å; L263-Y422 HydrophobicContact CD2-CG 3.93Å; L263-Y422 HydrophobicContact CG-CD1 4.49Å; L263-Y422 HydrophobicContact CG-CE1 4.19Å; L263-T425 HydrophobicContact CD1-CG2 4.31Å
264H97Very high93.8Very high0 Ų026.9 Ų26.90%015%0.151CC..  trans-99.114.2-176.358.4-135.3000114.6L192 V193 T196 D197 T199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 3.2Å; L192-H264 PolarHBondContact O-NE2 3.02Å; V193-H264 PolarHBondContact O-CE1 3.41Å; T196-H264 PolarHBondContact O-CE1 2.95Å; T196-H264 PolarHBondContact O-ND1 3.21Å; T196-H264 PolarHBondContact OG1-CE1 3.45Å; T196-H264 PolarHBondContact OG1-NE2 3.35Å; D197-H264 VanDerWaalsContact O-CB 3.24Å; D197-H264 WeakPolarHBondContact O-CB 3.28Å; T199-H264 PolarHBondContact N-O 2.99Å; V258-H264 HydrophobicContact CG1-CB 3.88Å; V258-H264 HydrophobicContact CG2-CB 3.9Å; P261-H264 PolarHBondContact O-ND1 2.83Å; R262-H264 VanDerWaalsContact C-N 3.26Å; R262-H264 PolarHBondContact O-N 2.94Å
265F98.1Very high93.6Very high1 Ų127.1 Ų27.10%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-89.6119.6-178.6-62.5-90000111V189 L192 V193 T199 I374 F378 L418V189-F265 HydrophobicContact CG1-CZ 4.48Å; L192-F265 HydrophobicContact CB-CE1 4.17Å; L192-F265 HydrophobicContact CB-CZ 4.21Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; T199-F265 HydrophobicContact CG2-CD1 3.49Å; T199-F265 VanDerWaalsContact CG2-CD1 3.49Å; T199-F265 HydrophobicContact CG2-CE1 3.67Å; T199-F265 CarbonylContact O-C 3.56Å; T199-F265 WeakPolarHBondContact O-CA 3.38Å; F265-I374 HydrophobicContact CB-CG1 4.14Å; F265-F378 HydrophobicContact CB-CE2 4.43Å; F265-F378 HydrophobicContact CB-CZ 3.97Å; F265-F378 HydrophobicContact CD1-CE1 4.28Å; F265-F378 AromaticContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD2-CE2 4.22Å; F265-F378 AromaticContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CE1-CE1 4.39Å; F265-F378 HydrophobicContact CE1-CZ 4.07Å; F265-F378 HydrophobicContact CE2-CZ 4.24Å; F265-F378 HydrophobicContact CG-CE2 4.22Å; F265-F378 AromaticContact CG-CZ 3.55Å; F265-F378 HydrophobicContact CG-CZ 3.55Å; F265-F378 HydrophobicContact CZ-CZ 4.34Å; F265-L418 HydrophobicContact CD2-CD2 4.43Å; F265-L418 HydrophobicContact CE2-CD1 4.35Å; F265-L418 HydrophobicContact CE2-CD2 3.94Å; F265-L418 HydrophobicContact CZ-CD2 4.5Å
266F96.5Very high93.1Very high0 Ų031 Ų310%016%0.155CC..EExtended strand (participates in β ladder)trans-105.6144.8-176.3-54.6-44000112.1E198 T199 Y200 C201 M257 V258 P268 I368 G369 N370E198-F266 HydrophobicContact CB-CD2 4.45Å; E198-F266 HydrophobicContact CB-CE2 3.76Å; E198-F266 HydrophobicContact CG-CE2 3.78Å; E198-F266 HydrophobicContact CG-CZ 4.33Å; T199-F266 PolarHBondContact O-N 2.67Å; Y200-F266 HydrophobicContact CD1-CB 4.07Å; Y200-F266 HydrophobicContact CD1-CD2 4.03Å; Y200-F266 HydrophobicContact CD2-CD2 4.49Å; Y200-F266 HydrophobicContact CE1-CB 4.36Å; Y200-F266 AromaticContact CE1-CD2 3.7Å; Y200-F266 HydrophobicContact CE1-CD2 3.7Å; Y200-F266 HydrophobicContact CE1-CE2 4.49Å; Y200-F266 HydrophobicContact CE1-CG 4.44Å; Y200-F266 HydrophobicContact CE2-CD2 4.15Å; Y200-F266 HydrophobicContact CG-CD2 4.41Å; Y200-F266 AromaticContact CZ-CD2 3.74Å; C201-F266 PolarHBondContact N-O 3.38Å; M257-F266 HydrophobicContact CB-CE1 3.76Å; M257-F266 HydrophobicContact CB-CZ 3.65Å; V258-F266 HydrophobicContact CG2-CE1 4.03Å; V258-F266 HydrophobicContact CG2-CZ 3.57Å; F266-P268 VanDerWaalsContact O-CD 3.32Å; F266-P268 WeakPolarHBondContact O-CD 3.5Å; F266-I368 HydrophobicContact CB-CG2 3.73Å; F266-I368 HydrophobicContact CD1-CG2 4.18Å; F266-I368 HydrophobicContact CD2-CG2 3.87Å; F266-I368 HydrophobicContact CG-CG2 3.66Å; F266-G369 WeakPolarHBondContact CA-O 3.45Å; F266-N370 HydrophobicContact CD1-CB 3.82Å; F266-N370 HydrophobicContact CE1-CB 3.93Å
267M95.6Very high92.5Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-97.3103.3167.8-57176.8-50.500108.2A301 C303 P305 Y310 F367 G369 A373 I374M267-A301 HydrophobicContact CB-CB 4.19Å; M267-A301 HydrophobicContact CG-CB 3.94Å; M267-C303 PolarHBondContact SD-SG 3.49Å; M267-P305 HydrophobicContact CE-CB 4.44Å; M267-Y310 HydrophobicContact CE-CD1 4.47Å; M267-Y310 HydrophobicContact CE-CE1 3.79Å; M267-F367 WeakPolarHBondContact O-CD1 3.35Å; M267-G369 PolarHBondContact N-O 3.05Å; M267-G369 PolarHBondContact O-N 2.94Å; M267-A373 HydrophobicContact SD-CB 4.5Å; M267-I374 HydrophobicContact CG-CB 4.49Å; M267-I374 HydrophobicContact CG-CD1 3.72Å
268P95.9Very high92Very high0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-83.6156.7178.335.3-32.6000110.9Y200 C201 I202 T232 F266 M300 F367Y200-P268 HydrophobicContact CD1-CB 4.28Å; C201-P268 WeakPolarHBondContact O-CD 3.43Å; I202-P268 HydrophobicContact CG1-CG 4.12Å; T232-P268 HydrophobicContact CG2-CB 3.69Å; T232-P268 HydrophobicContact CG2-CG 4.4Å; F266-P268 VanDerWaalsContact O-CD 3.32Å; F266-P268 WeakPolarHBondContact O-CD 3.5Å; P268-M300 HydrophobicContact CG-CB 4.24Å; P268-M300 WeakPolarHBondContact O-CB 3.3Å; P268-M300 PolarHBondContact O-N 3.1Å; P268-F367 CarbonylContact C-O 3.58Å; P268-F367 VanDerWaalsContact CA-O 3.26Å; P268-F367 WeakPolarHBondContact CA-O 3.45Å
269G94.6Very high91.2Very high3 Ų337.7 Ų37.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-149.5159.5174.800000111T366 F367G269-T366 CarbonylContact O-C 3.46Å; G269-T366 WeakPolarHBondContact O-CA 3.43Å; G269-F367 PolarHBondContact N-O 2.64Å; G269-F367 PolarHBondContact O-N 3.37Å
270F95.5Very high90.3Very high14 Ų1443.8 Ų43.86%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-134.7138.5178.3-175.6-91.2000109.6A231 L273 M300 P358 L361A231-F270 HydrophobicContact CB-CD2 4.3Å; A231-F270 HydrophobicContact CB-CE2 4.17Å; A231-F270 HydrophobicContact CB-CZ 4.29Å; F270-L273 HydrophobicContact CD1-CD2 4.24Å; F270-L273 VanDerWaalsContact O-CD1 3.27Å; F270-L273 WeakPolarHBondContact O-CD1 3.38Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; F270-M300 HydrophobicContact CB-CE 3.82Å; F270-P358 HydrophobicContact CZ-CG 4.45Å; F270-L361 HydrophobicContact CE1-CD1 4.17Å; F270-L361 HydrophobicContact CZ-CD1 3.89Å
271A95.2Very high89.4Confident1 Ų149.1 Ų49.11%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-137.7146.5169.200000109.7L289 Q292 S364 V365A271-L289 HydrophobicContact CB-CD2 4.22Å; A271-Q292 HydrophobicContact CB-CB 3.8Å; A271-S364 CarbonylContact O-C 3.48Å; A271-S364 WeakPolarHBondContact O-CA 3.15Å; A271-S364 VanDerWaalsContact O-CB 3.22Å; A271-S364 WeakPolarHBondContact O-CB 3.34Å; A271-V365 HydrophobicContact CB-CG1 3.78Å; A271-V365 PolarHBondContact N-O 3Å; A271-V365 PolarHBondContact O-N 3.06Å
272P94.3Very high88.4Confident14 Ų1449.7 Ų49.79%0.09124%0.235CC..  cis-84.1146.49.934-35.5000113.8L284 L289 L361P272-L284 HydrophobicContact CB-CD2 3.37Å; P272-L284 HydrophobicContact CG-CD1 4Å; P272-L284 HydrophobicContact CG-CD2 3.56Å; P272-L284 HydrophobicContact CG-CG 4.45Å; P272-L289 HydrophobicContact CB-CD2 3.98Å; P272-L289 HydrophobicContact CG-CD2 4.27Å; P272-L361 HydrophobicContact CG-CD2 4.41Å
273L91.4Very high87.6Confident12 Ų1251 Ų516%0.06326%0.255CS..  trans-112.793.5168.3-64.3172.2000108.6I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CG2-CD1 3.78Å; I210-L273 HydrophobicContact CG2-CD2 4.3Å; T214-L273 HydrophobicContact CG2-CB 3.71Å; T214-L273 WeakPolarHBondContact CG2-O 3.44Å; L215-L273 HydrophobicContact CD2-CB 4.19Å; L215-L273 HydrophobicContact CD2-CD2 4.33Å; L228-L273 HydrophobicContact CD1-CD2 3.62Å; F270-L273 HydrophobicContact CD1-CD2 4.24Å; F270-L273 VanDerWaalsContact O-CD1 3.27Å; F270-L273 WeakPolarHBondContact O-CD1 3.38Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; L273-N298 HydrophobicContact CD1-CB 3.75Å
274T86.6Confident87.2Confident15 Ų1553.3 Ų53.39%0.09227%0.267CS..  trans-127.2130.3-177.1-57.60000110.1Q279T274-Q279 HydrophobicContact CG2-CG 3.87Å; T274-Q279 PolarHBondContact O-NE2 3.28Å; T274-Q279 VanDerWaalsContact O-NE2 3.09Å
275S85.3Confident86.9Confident19 Ų1956.1 Ų56.113%0.13328%0.284CS..  trans-59.9146.2175.467.10000111.8L215 G277 S278 Q279L215-S275 VanDerWaalsContact O-CB 3.26Å; L215-S275 WeakPolarHBondContact O-CB 3.29Å; S275-G277 PolarHBondContact O-N 2.7Å; S275-G277 VanDerWaalsContact O-N 3.12Å; S275-S278 PolarHBondContact O-N 3.28Å; S275-S278 PolarHBondContact OG-OG 3.46Å; S275-Q279 WeakPolarHBondContact O-CG 3.43Å; S275-Q279 PolarHBondContact O-N 3.29Å
276R80Confident86.5Confident194 Ų19456.1 Ų56.173%0.73229%0.285SS*.Hα-helixtrans-52.2-40.3-175.8-66.9-176.6-179.9175.42.1113.3S278R276-S278 VanDerWaalsContact C-N 3.29Å; R276-S278 PolarHBondContact O-N 2.78Å
277G76.7Confident86.2Confident59 Ų5958 Ų5861%0.60830%0.297SS*.Hα-helixtrans-68.4-23.5179.400000114.5S275 Y281S275-G277 PolarHBondContact O-N 2.7Å; S275-G277 VanDerWaalsContact O-N 3.12Å; G277-Y281 WeakPolarHBondContact O-CD2 3.34Å; G277-Y281 WeakPolarHBondContact O-CE2 3.48Å
278S81.7Confident86Confident47 Ų4759.8 Ų59.833%0.32931%0.305SS..Hα-helixtrans-97.1-17.4-178.4-62.30000113.4S275 R276 Q280 Y281S275-S278 PolarHBondContact O-N 3.28Å; S275-S278 PolarHBondContact OG-OG 3.46Å; R276-S278 VanDerWaalsContact C-N 3.29Å; R276-S278 PolarHBondContact O-N 2.78Å; S278-Q280 VanDerWaalsContact C-N 3.29Å; S278-Q280 PolarHBondContact O-N 2.75Å; S278-Y281 PolarHBondContact O-N 2.84Å; S278-Y281 VanDerWaalsContact O-N 3.08Å
279Q77.6Confident85.9Confident106 Ų10659.8 Ų59.850%0.49531%0.305SS..Hα-helixtrans-57.7-38.3-174.5-78.1178.3-2.300113.2T274 S275 Y281T274-Q279 HydrophobicContact CG2-CG 3.87Å; T274-Q279 PolarHBondContact O-NE2 3.28Å; T274-Q279 VanDerWaalsContact O-NE2 3.09Å; S275-Q279 WeakPolarHBondContact O-CG 3.43Å; S275-Q279 PolarHBondContact O-N 3.29Å; Q279-Y281 PolarHBondContact O-N 3.19Å
280Q73.4Confident85.9Confident174 Ų17459.7 Ų59.781%0.81330%0.304SS*.THydrogen-bonded Turntrans-69.5-18.6-178.9-64.4-1788.100113.6S278S278-Q280 VanDerWaalsContact C-N 3.29Å; S278-Q280 PolarHBondContact O-N 2.75Å
281Y74.8Confident85.7Confident193 Ų19366 Ų6676%0.75733%0.334SS*.THydrogen-bonded Turntrans-103.3-1.3-174.1-56.8-76.1000113.3G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.34Å; G277-Y281 WeakPolarHBondContact O-CE2 3.48Å; S278-Y281 PolarHBondContact O-N 2.84Å; S278-Y281 VanDerWaalsContact O-N 3.08Å; Q279-Y281 PolarHBondContact O-N 3.19Å
282R74.8Confident85.5Confident122 Ų12267 Ų6746%0.4634%0.338SS..  trans-108.3131.7-178.5-71.4-161.1-179.6-169.26.7112.1E288R282-E288 IonicContact CZ-OE1 3.62Å; R282-E288 IonicContact NH1-OE1 3.33Å; R282-E288 PolarHBondContact NH1-OE1 2.82Å
283S79.2Confident85.4Confident96 Ų9666.6 Ų66.667%0.67134%0.335SS*.  trans-93.7107.416658.40000109.2T285S283-T285 PolarHBondContact O-N 2.8Å
284L86.9Confident85.3Confident50 Ų5067.3 Ų67.326%0.26234%0.338SS..  trans-66.7130176.3-71.7157.7000110.7P272 L289 M363P272-L284 HydrophobicContact CB-CD2 3.37Å; P272-L284 HydrophobicContact CG-CD1 4Å; P272-L284 HydrophobicContact CG-CD2 3.56Å; P272-L284 HydrophobicContact CG-CG 4.45Å; L284-L289 HydrophobicContact CD2-CD2 4.05Å; L284-M363 HydrophobicContact CB-CG 3.89Å; L284-M363 HydrophobicContact CB-SD 4.06Å; L284-M363 VanDerWaalsContact O-SD 3.42Å
285T90.5Very high85.5Confident58 Ų5869.8 Ų69.836%0.35635%0.35SS..  trans-134.6160.8176.1660000110.3S283 E288 L289S283-T285 PolarHBondContact O-N 2.8Å; T285-E288 PolarHBondContact O-N 2.76Å; T285-E288 PolarHBondContact OG1-N 3.34Å; T285-L289 WeakPolarHBondContact O-CG 3.4Å; T285-L289 PolarHBondContact O-N 3.37Å
286A89.1Confident85.7Confident2 Ų270.1 Ų70.12%0.01736%0.355CS..Hα-helixtrans-58.4-44.4177.200000112.5E288 L289 T290 E325 V326 M363A286-E288 PolarHBondContact O-N 3.18Å; A286-L289 PolarHBondContact O-N 3.22Å; A286-T290 PolarHBondContact O-N 2.83Å; A286-T290 PolarHBondContact O-OG1 3.25Å; A286-E325 HydrophobicContact CB-CG 4.27Å; A286-V326 HydrophobicContact CB-CG2 4.27Å; A286-M363 HydrophobicContact CB-CE 4.3Å
287P91.6Very high86.1Confident40 Ų4068 Ų6826%0.2635%0.351SS..Hα-helixtrans-57.7-41.8173.8-24.231.5000114.1T290 Q291 E325 Q329P287-T290 PolarHBondContact O-N 2.98Å; P287-Q291 WeakPolarHBondContact O-CB 3.49Å; P287-Q291 PolarHBondContact O-N 3.48Å; P287-E325 WeakPolarHBondContact CD-OE1 3.28Å; P287-Q329 HydrophobicContact CB-CG 4.17Å; P287-Q329 HydrophobicContact CG-CG 3.83Å
288E91.1Very high86.7Confident37 Ų3765.7 Ų65.717%0.17332%0.324CS..Hα-helixtrans-65.1-43.9178-172.7-172.8176.100111.1R282 T285 A286 Q291 Q292R282-E288 IonicContact CZ-OE1 3.62Å; R282-E288 IonicContact NH1-OE1 3.33Å; R282-E288 PolarHBondContact NH1-OE1 2.82Å; T285-E288 PolarHBondContact O-N 2.76Å; T285-E288 PolarHBondContact OG1-N 3.34Å; A286-E288 PolarHBondContact O-N 3.18Å; E288-Q291 PolarHBondContact O-N 3.29Å; E288-Q292 WeakPolarHBondContact O-CG 3.41Å; E288-Q292 PolarHBondContact O-N 3.04Å; E288-Q292 PolarHBondContact OE1-NE2 2.75Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.09Å
289L94.3Very high87.1Confident0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-60.1-49.1176.1-73-172.8000111.2A271 P272 L284 T285 A286 Q291 Q292 M293 F317 M363 V365A271-L289 HydrophobicContact CB-CD2 4.22Å; P272-L289 HydrophobicContact CB-CD2 3.98Å; P272-L289 HydrophobicContact CG-CD2 4.27Å; L284-L289 HydrophobicContact CD2-CD2 4.05Å; T285-L289 WeakPolarHBondContact O-CG 3.4Å; T285-L289 PolarHBondContact O-N 3.37Å; A286-L289 PolarHBondContact O-N 3.22Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.3Å; L289-Q292 PolarHBondContact O-N 2.82Å; L289-M293 VanDerWaalsContact O-CB 3.28Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 PolarHBondContact O-N 3.06Å; L289-F317 HydrophobicContact CB-CE1 4.21Å; L289-F317 HydrophobicContact CD1-CD1 4.35Å; L289-F317 HydrophobicContact CD1-CE1 4.5Å; L289-M363 HydrophobicContact CD1-CB 4.23Å; L289-M363 HydrophobicContact CD1-CE 3.57Å; L289-M363 HydrophobicContact CD1-CG 3.95Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.32Å; L289-V365 HydrophobicContact CB-CB 4.47Å; L289-V365 HydrophobicContact CB-CG1 3.83Å; L289-V365 HydrophobicContact CD1-CB 4.43Å; L289-V365 HydrophobicContact CD1-CG1 4.48Å; L289-V365 HydrophobicContact CD2-CG1 4.5Å
290T93Very high87.9Confident1 Ų158.6 Ų58.61%0.00629%0.286CS..Hα-helixtrans-60.1-40.4178.9-52.70000111.3A286 P287 M293 F294 Q329 M330 V333A286-T290 PolarHBondContact O-N 2.83Å; A286-T290 PolarHBondContact O-OG1 3.25Å; P287-T290 PolarHBondContact O-N 2.98Å; T290-M293 HydrophobicContact CG2-CE 4.48Å; T290-M293 WeakPolarHBondContact O-CB 3.29Å; T290-M293 PolarHBondContact O-N 3.24Å; T290-F294 HydrophobicContact CG2-CD2 4.38Å; T290-F294 HydrophobicContact CG2-CE2 4.37Å; T290-F294 WeakPolarHBondContact O-CD2 3.4Å; T290-F294 PolarHBondContact O-N 2.49Å; T290-Q329 HydrophobicContact CG2-CB 4.28Å; T290-M330 HydrophobicContact CG2-SD 3.7Å; T290-V333 HydrophobicContact CG2-CB 4.31Å; T290-V333 HydrophobicContact CG2-CG2 3.7Å
291Q91.4Very high88.7Confident147 Ų14750.4 Ų50.469%0.68725%0.248SC*.Hα-helixtrans-65.5-44.2176.9-173.1178.85.700112.3P287 E288 L289 M293 D295P287-Q291 WeakPolarHBondContact O-CB 3.49Å; P287-Q291 PolarHBondContact O-N 3.48Å; E288-Q291 PolarHBondContact O-N 3.29Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.3Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 2.94Å; Q291-D295 PolarHBondContact O-N 3.47Å
292Q92.6Very high89.4Confident21 Ų2143 Ų4310%0.09823%0.226CC..Hα-helixtrans-64.9-36.1176.9-75.2-17440.400111.9A271 E288 L289 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.8Å; E288-Q292 WeakPolarHBondContact O-CG 3.41Å; E288-Q292 PolarHBondContact O-N 3.04Å; E288-Q292 PolarHBondContact OE1-NE2 2.75Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.09Å; L289-Q292 PolarHBondContact O-N 2.82Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.97Å; Q292-D295 PolarHBondContact O-N 3.35Å; Q292-N298 PolarHBondContact O-ND2 2.89Å
293M91Very high90Very high6 Ų637.5 Ų37.53%0.0321%0.207CC..Hα-helixtrans-59.8-36.7-178.3-167.2-17665.200112.8L289 T290 Q291 M299 A315 M330 V365 F367L289-M293 VanDerWaalsContact O-CB 3.28Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 PolarHBondContact O-N 3.06Å; T290-M293 HydrophobicContact CG2-CE 4.48Å; T290-M293 WeakPolarHBondContact O-CB 3.29Å; T290-M293 PolarHBondContact O-N 3.24Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 2.94Å; M293-M299 WeakPolarHBondContact O-CE 3.44Å; M293-A315 HydrophobicContact CE-CB 3.77Å; M293-A315 HydrophobicContact SD-CB 3.56Å; M293-A315 VanDerWaalsContact SD-CB 3.56Å; M293-M330 HydrophobicContact CE-CE 3.85Å; M293-M330 HydrophobicContact CE-SD 3.6Å; M293-M330 VanDerWaalsContact CE-SD 3.6Å; M293-V365 HydrophobicContact CB-CG1 4.03Å; M293-V365 HydrophobicContact CG-CG1 4.11Å; M293-V365 HydrophobicContact CG-CG2 4.44Å; M293-V365 HydrophobicContact SD-CB 4.39Å; M293-V365 HydrophobicContact SD-CG1 4.07Å; M293-V365 HydrophobicContact SD-CG2 3.41Å; M293-V365 WeakPolarHBondContact SD-CG2 3.41Å; M293-F367 HydrophobicContact CE-CD2 4Å; M293-F367 HydrophobicContact CG-CB 3.51Å; M293-F367 HydrophobicContact CG-CD2 3.62Å; M293-F367 HydrophobicContact CG-CG 3.89Å; M293-F367 HydrophobicContact SD-CB 4.13Å; M293-F367 HydrophobicContact SD-CD2 3.85Å; M293-F367 HydrophobicContact SD-CG 4.47Å
294F90.3Very high90.5Very high27 Ų2734.3 Ų34.312%0.11818%0.182CC..THydrogen-bonded Turntrans-95.54.7178.8-76.7-83.9000114T290 Q292 A296 Y310 V313 M330 V333 F341 F367T290-F294 HydrophobicContact CG2-CD2 4.38Å; T290-F294 HydrophobicContact CG2-CE2 4.37Å; T290-F294 WeakPolarHBondContact O-CD2 3.4Å; T290-F294 PolarHBondContact O-N 2.49Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.97Å; F294-A296 PolarHBondContact O-N 3.4Å; F294-Y310 HydrophobicContact CD1-CE2 4.28Å; F294-Y310 HydrophobicContact CE1-CE2 4.29Å; F294-V313 HydrophobicContact CE1-CG1 4.44Å; F294-V313 HydrophobicContact CE1-CG2 4.46Å; F294-V313 HydrophobicContact CZ-CG1 4.09Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.22Å; F294-M330 HydrophobicContact CZ-CE 4.15Å; F294-V333 HydrophobicContact CB-CG1 4.38Å; F294-V333 HydrophobicContact CD1-CG1 4.28Å; F294-V333 HydrophobicContact CD2-CB 4.37Å; F294-V333 HydrophobicContact CD2-CG1 3.42Å; F294-V333 VanDerWaalsContact CD2-CG1 3.42Å; F294-V333 HydrophobicContact CE1-CG1 4.42Å; F294-V333 HydrophobicContact CE2-CB 4.23Å; F294-V333 HydrophobicContact CE2-CG1 3.54Å; F294-V333 HydrophobicContact CG-CG1 3.79Å; F294-V333 HydrophobicContact CZ-CG1 4.06Å; F294-F341 AromaticContact CE1-CZ 3.9Å; F294-F341 HydrophobicContact CE1-CZ 3.9Å; F294-F341 HydrophobicContact CZ-CZ 4.25Å; F294-F367 HydrophobicContact CD1-CE2 4.27Å; F294-F367 AromaticContact CE1-CE2 3.91Å; F294-F367 HydrophobicContact CE1-CE2 3.91Å; F294-F367 HydrophobicContact CE1-CZ 4.49Å; F294-F367 HydrophobicContact CZ-CE2 4.24Å
295D90.7Very high90.6Very high66 Ų6632.2 Ų32.235%0.35317%0.172SC..  trans-76.7119.7172.3-168.6-24.4000109.1Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.47Å; Q292-D295 PolarHBondContact O-N 3.35Å; D295-K297 PolarHBondContact O-N 2.76Å; D295-K297 WeakPolarHBondContact OD1-CB 3.24Å; D295-K297 WeakPolarHBondContact OD1-CG 3.44Å; D295-K297 PolarHBondContact OD1-N 3.3Å; D295-N298 WeakPolarHBondContact O-CB 3.47Å; D295-N298 PolarHBondContact O-N 2.72Å
296A88.2Confident90.5Very high27 Ų2736.4 Ų36.422%0.22318%0.181CC..G310 helixtrans-51.3-29.7177.600000112.8F294 N298 M299 P305F294-A296 PolarHBondContact O-N 3.4Å; A296-N298 PolarHBondContact O-N 3.4Å; A296-M299 PolarHBondContact O-N 3.04Å; A296-P305 HydrophobicContact CB-CG 4.13Å
297K89.2Confident90.6Very high150 Ų15041.8 Ų41.865%0.65221%0.206SC*.G310 helixtrans-69.2-14178.6-63.5171.2-173.4163.80114.3I210 D295I210-K297 VanDerWaalsContact CG1-O 3.26Å; I210-K297 WeakPolarHBondContact CG1-O 3.24Å; D295-K297 PolarHBondContact O-N 2.76Å; D295-K297 WeakPolarHBondContact OD1-CB 3.24Å; D295-K297 WeakPolarHBondContact OD1-CG 3.44Å; D295-K297 PolarHBondContact OD1-N 3.3Å
298N88.9Confident90.6Very high9 Ų940.1 Ų40.15%0.04820%0.196CC..G310 helixtrans-104.6-3.5-179-66.2-18.8000112.5L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 3.75Å; Q292-N298 PolarHBondContact O-ND2 2.89Å; D295-N298 WeakPolarHBondContact O-CB 3.47Å; D295-N298 PolarHBondContact O-N 2.72Å; A296-N298 PolarHBondContact O-N 3.4Å
299M91.5Very high90.8Very high4 Ų442.2 Ų42.22%0.0220%0.202CC..BIsolated β-bridgetrans-73.4140.7174.4-61.4-5917600109.9M293 A296 A301 F367M293-M299 WeakPolarHBondContact O-CE 3.44Å; A296-M299 PolarHBondContact O-N 3.04Å; M299-A301 VanDerWaalsContact C-N 3.3Å; M299-F367 HydrophobicContact CE-CD1 3.57Å; M299-F367 HydrophobicContact CE-CE1 3.35Å; M299-F367 HydrophobicContact CE-CE2 4.39Å; M299-F367 HydrophobicContact CE-CG 4.2Å; M299-F367 HydrophobicContact CE-CZ 3.8Å; M299-F367 HydrophobicContact SD-CD1 3.39Å; M299-F367 WeakPolarHBondContact SD-CD1 3.18Å; M299-F367 HydrophobicContact SD-CE1 3.52Å; M299-F367 VanDerWaalsContact SD-CE1 3.52Å; M299-F367 HydrophobicContact SD-CG 4.32Å
300M92.9Very high90.8Very high0 Ų042.6 Ų42.60%020%0.204CC..SBendtrans-88.82.6-179.8-58.3-167.6-179.800113D203 L207 I210 L228 T232 P268 F270D203-M300 WeakPolarHBondContact CB-O 3.15Å; D203-M300 PolarHBondContact N-O 3.48Å; L207-M300 HydrophobicContact CD2-CB 4.13Å; L207-M300 HydrophobicContact CD2-CG 3.95Å; L207-M300 HydrophobicContact CD2-SD 3.75Å; I210-M300 HydrophobicContact CD1-CG 4.26Å; L228-M300 HydrophobicContact CD1-CE 3.4Å; L228-M300 VanDerWaalsContact CD1-CE 3.4Å; L228-M300 HydrophobicContact CD2-CE 4.01Å; L228-M300 HydrophobicContact CG-CE 3.42Å; L228-M300 VanDerWaalsContact CG-CE 3.42Å; L228-M300 HydrophobicContact CG-SD 4.28Å; T232-M300 HydrophobicContact CG2-CE 4.38Å; T232-M300 HydrophobicContact CG2-SD 4.05Å; T232-M300 WeakPolarHBondContact OG1-CE 3.45Å; T232-M300 PolarHBondContact OG1-SD 3.06Å; P268-M300 HydrophobicContact CG-CB 4.24Å; P268-M300 WeakPolarHBondContact O-CB 3.3Å; P268-M300 PolarHBondContact O-N 3.1Å; F270-M300 HydrophobicContact CB-CE 3.82Å
301A90.8Very high90.9Very high2 Ų242.6 Ų42.62%0.01720%0.203CC..SBendtrans-107.9136.9169.400000108.9M267 M299 C303 I374 L377M267-A301 HydrophobicContact CB-CB 4.19Å; M267-A301 HydrophobicContact CG-CB 3.94Å; M299-A301 VanDerWaalsContact C-N 3.3Å; A301-C303 PolarHBondContact O-N 3.39Å; A301-I374 HydrophobicContact CB-CD1 4.19Å; A301-L377 HydrophobicContact CB-CD1 4.43Å
302A89.1Confident91Very high37 Ų3735.7 Ų35.731%0.30617%0.171SC..SBendtrans-81.157.2-177.700000112D203 E205 A206D203-A302 HydrophobicContact CB-CB 4.19Å; D203-A302 WeakPolarHBondContact OD2-CB 3.15Å; E205-A302 HydrophobicContact CB-CB 4.39Å; A206-A302 HydrophobicContact CB-CB 4.22Å
303C88.7Confident91.1Very high7 Ų734.7 Ų34.75%0.04717%0.166CC..SBendtrans-133.7146.6175.447.80000109.9M267 A301 P305 A373 E376M267-C303 PolarHBondContact SD-SG 3.49Å; A301-C303 PolarHBondContact O-N 3.39Å; C303-P305 WeakPolarHBondContact O-CD 3.2Å; C303-A373 VanDerWaalsContact CB-O 3.24Å; C303-A373 WeakPolarHBondContact CB-O 3.25Å; C303-E376 VanDerWaalsContact CA-OE2 3.24Å; C303-E376 WeakPolarHBondContact CA-OE2 3.38Å; C303-E376 HydrophobicContact CB-CB 3.95Å; C303-E376 HydrophobicContact CB-CG 4.49Å; C303-E376 WeakPolarHBondContact CB-OE2 3.46Å
304D89.7Confident91.2Very high29 Ų2934.5 Ų34.516%0.15517%0.166CC..  trans-92.4112.2179.5-165.4-24000109.8R306 H307 A373 E376D304-R306 PolarHBondContact O-N 3.33Å; D304-R306 WeakPolarHBondContact OD1-CB 3.21Å; D304-R306 WeakPolarHBondContact OD1-CG 3.39Å; D304-R306 IonicContact OD1-CZ 3.6Å; D304-R306 PolarHBondContact OD1-N 3.39Å; D304-R306 VanDerWaalsContact OD1-N 3.1Å; D304-R306 IonicContact OD1-NE 2.76Å; D304-R306 PolarHBondContact OD1-NE 3.14Å; D304-R306 IonicContact OD1-NH2 2.65Å; D304-R306 IonicContact OD2-CZ 3.62Å; D304-R306 IonicContact OD2-NE 3.08Å; D304-R306 PolarHBondContact OD2-NE 2.99Å; D304-R306 VanDerWaalsContact OD2-NE 3.13Å; D304-R306 IonicContact OD2-NH2 3.32Å; D304-R306 PolarHBondContact OD2-NH2 3.07Å; D304-H307 WeakPolarHBondContact O-CB 3.29Å; D304-H307 PolarHBondContact O-N 3.46Å; D304-H307 IonicContact OD2-NE2 3.4Å; D304-A373 WeakPolarHBondContact O-CB 3.26Å; D304-E376 PolarHBondContact N-OE2 3.38Å
305P88.1Confident91.3Very high6 Ų633.2 Ų33.24%0.03916%0.161CC..G310 helixtrans-60.5-14.7-179.924.3-34.1000113.6M267 A296 C303 H307 G308 Y310M267-P305 HydrophobicContact CE-CB 4.44Å; A296-P305 HydrophobicContact CB-CG 4.13Å; C303-P305 WeakPolarHBondContact O-CD 3.2Å; P305-H307 VanDerWaalsContact C-N 3.27Å; P305-G308 PolarHBondContact O-N 2.92Å; P305-G308 VanDerWaalsContact O-O 3.07Å; P305-Y310 HydrophobicContact CB-CE1 4.14Å; P305-Y310 HydrophobicContact CB-CE2 4.06Å; P305-Y310 WeakPolarHBondContact CB-OH 3.41Å; P305-Y310 WeakPolarHBondContact CG-OH 3.43Å
306R88.6Confident91.4Very high147 Ų14730.5 Ų30.556%0.55515%0.146SC*.G310 helixtrans-75.2-15.5174.1-61.4171.9-70.1175.5-3.2113.5D304 G308 Y340D304-R306 PolarHBondContact O-N 3.33Å; D304-R306 WeakPolarHBondContact OD1-CB 3.21Å; D304-R306 WeakPolarHBondContact OD1-CG 3.39Å; D304-R306 IonicContact OD1-CZ 3.6Å; D304-R306 PolarHBondContact OD1-N 3.39Å; D304-R306 VanDerWaalsContact OD1-N 3.1Å; D304-R306 IonicContact OD1-NE 2.76Å; D304-R306 PolarHBondContact OD1-NE 3.14Å; D304-R306 IonicContact OD1-NH2 2.65Å; D304-R306 IonicContact OD2-CZ 3.62Å; D304-R306 IonicContact OD2-NE 3.08Å; D304-R306 PolarHBondContact OD2-NE 2.99Å; D304-R306 VanDerWaalsContact OD2-NE 3.13Å; D304-R306 IonicContact OD2-NH2 3.32Å; D304-R306 PolarHBondContact OD2-NH2 3.07Å; R306-G308 VanDerWaalsContact C-N 3.28Å; R306-Y340 HydrophobicContact CB-CE1 4.1Å; R306-Y340 HydrophobicContact CG-CE1 4.29Å; R306-Y340 HydrophobicContact CG-CE2 4.36Å
307H91Very high91.7Very high115 Ų11529.2 Ų29.253%0.53214%0.135SC..G310 helixtrans-91.99.8175.3-58.6165.1000112.6D304 P305 E376D304-H307 WeakPolarHBondContact O-CB 3.29Å; D304-H307 PolarHBondContact O-N 3.46Å; D304-H307 IonicContact OD2-NE2 3.4Å; P305-H307 VanDerWaalsContact C-N 3.27Å; H307-E376 WeakPolarHBondContact CB-OE1 3.48Å; H307-E376 IonicContact CE1-OE1 2.86Å; H307-E376 IonicContact CG-OE1 3.95Å; H307-E376 IonicContact ND1-OE1 2.85Å; H307-E376 PolarHBondContact ND1-OE1 3.13Å; H307-E376 IonicContact ND1-OE2 3.15Å
308G92.3Very high91.8Very high5 Ų522 Ų225%0.05210%0.104CC..SBendtrans-152-159.9171.700000110.5P305 R306 T372P305-G308 PolarHBondContact O-N 2.92Å; P305-G308 VanDerWaalsContact O-O 3.07Å; R306-G308 VanDerWaalsContact C-N 3.28Å; G308-T372 VanDerWaalsContact CA-OG1 3.24Å; G308-T372 WeakPolarHBondContact CA-OG1 3.29Å
309R94.1Very high91.8Very high81 Ų8121.6 Ų21.631%0.30610%0.102SC..  trans-128143.5177.9-64.4179.1-179.8-169.30109.8L311 Y340 V342 S371 T372 D426R309-L311 PolarHBondContact O-N 3.32Å; R309-Y340 CarbonylContact C-O 3.56Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.37Å; R309-V342 HydrophobicContact CB-CG1 3.83Å; R309-S371 CarbonylContact O-C 3.56Å; R309-S371 WeakPolarHBondContact O-CA 3.16Å; R309-S371 WeakPolarHBondContact O-CB 3.43Å; R309-S371 PolarHBondContact O-OG 3.41Å; R309-T372 PolarHBondContact N-OG1 2.59Å; R309-T372 PolarHBondContact O-N 3.27Å; R309-T372 PolarHBondContact O-OG1 3.09Å; R309-D426 WeakPolarHBondContact CG-OD1 3.37Å; R309-D426 PolarHBondContact N-OD1 3.49Å
310Y94.8Very high91.6Very high8 Ų832 Ų323%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-73.3119.9168.8-69.9-67.8000108.7M267 F294 P305 V313 Y340 F341 V342 F367 N370M267-Y310 HydrophobicContact CE-CD1 4.47Å; M267-Y310 HydrophobicContact CE-CE1 3.79Å; F294-Y310 HydrophobicContact CD1-CE2 4.28Å; F294-Y310 HydrophobicContact CE1-CE2 4.29Å; P305-Y310 HydrophobicContact CB-CE1 4.14Å; P305-Y310 HydrophobicContact CB-CE2 4.06Å; P305-Y310 WeakPolarHBondContact CB-OH 3.41Å; P305-Y310 WeakPolarHBondContact CG-OH 3.43Å; Y310-V313 HydrophobicContact CD1-CG2 3.64Å; Y310-V313 HydrophobicContact CD2-CG2 4.41Å; Y310-V313 HydrophobicContact CE1-CG2 4.23Å; Y310-V313 HydrophobicContact CG-CG2 3.75Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.42Å; Y310-Y340 PolarHBondContact N-O 2.99Å; Y310-F341 HydrophobicContact CD2-CD1 4.47Å; Y310-F341 HydrophobicContact CD2-CD2 4.49Å; Y310-F341 HydrophobicContact CD2-CE1 4.1Å; Y310-F341 HydrophobicContact CD2-CE2 4.11Å; Y310-F341 AromaticContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CG-CD1 4.44Å; Y310-F341 HydrophobicContact CG-CE1 4.15Å; Y310-F341 HydrophobicContact CG-CZ 4.4Å; Y310-V342 PolarHBondContact O-N 2.91Å; Y310-F367 HydrophobicContact CD1-CZ 4.34Å; Y310-F367 HydrophobicContact CE1-CE1 4.14Å; Y310-F367 AromaticContact CE1-CZ 3.56Å; Y310-F367 HydrophobicContact CE1-CZ 3.56Å; Y310-F367 AromaticContact CZ-CZ 3.91Å; Y310-N370 CarbonylContact C-O 3.47Å; Y310-N370 WeakPolarHBondContact CA-O 3.45Å
311L95.3Very high91.4Very high0 Ų033.6 Ų33.60%015%0.148CC..EExtended strand (participates in β ladder)trans-70.2-53.4166.4-53.4-173000108.4P259 L263 R309 V342 W344 I345 N348 N370 T372 Y422 T425P259-L311 HydrophobicContact CG-CB 4.2Å; P259-L311 HydrophobicContact CG-CD1 3.91Å; L263-L311 HydrophobicContact CB-CD1 4.31Å; L263-L311 HydrophobicContact CD1-CD1 3.87Å; R309-L311 PolarHBondContact O-N 3.32Å; L311-V342 HydrophobicContact CD2-CG1 3.68Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; L311-W344 HydrophobicContact CD2-CH2 4.4Å; L311-W344 HydrophobicContact CD2-CZ2 3.97Å; L311-I345 HydrophobicContact CB-CD1 4.2Å; L311-I345 WeakPolarHBondContact O-CD1 3.49Å; L311-N348 WeakPolarHBondContact O-CB 3.36Å; L311-N348 PolarHBondContact O-ND2 3.02Å; L311-N370 HydrophobicContact CB-CB 4.34Å; L311-N370 PolarHBondContact N-O 3.3Å; L311-T372 HydrophobicContact CD2-CG2 3.85Å; L311-T372 HydrophobicContact CG-CG2 4.4Å; L311-Y422 HydrophobicContact CD1-CE1 4.46Å; L311-T425 HydrophobicContact CD1-CG2 4.25Å; L311-T425 HydrophobicContact CD2-CG2 3.43Å; L311-T425 VanDerWaalsContact CD2-CG2 3.43Å
312T94.4Very high91.3Very high2 Ų236.4 Ų36.41%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-146.8153.1-179.566.10000110.7N256 M257 I345 N348 N370N256-T312 WeakPolarHBondContact O-CG2 3.18Å; M257-T312 VanDerWaalsContact CA-OG1 3.26Å; M257-T312 WeakPolarHBondContact CA-OG1 3.24Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.08Å; M257-T312 PolarHBondContact O-OG1 3.43Å; T312-I345 HydrophobicContact CG2-CD1 4.18Å; T312-N348 CarbonylContact C-O 3.41Å; T312-N348 VanDerWaalsContact CA-O 3.28Å; T312-N348 WeakPolarHBondContact CA-O 3.4Å; T312-N370 PolarHBondContact N-O 2.95Å; T312-N370 PolarHBondContact O-N 3.07Å; T312-N370 VanDerWaalsContact OG1-CB 3.25Å; T312-N370 WeakPolarHBondContact OG1-CB 3.22Å
313V94Very high91.1Very high0 Ų037.9 Ų37.90%017%0.17CC..EExtended strand (participates in β ladder)trans-136133.8177.31670000109.3F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CE1-CG1 4.44Å; F294-V313 HydrophobicContact CE1-CG2 4.46Å; F294-V313 HydrophobicContact CZ-CG1 4.09Å; Y310-V313 HydrophobicContact CD1-CG2 3.64Å; Y310-V313 HydrophobicContact CD2-CG2 4.41Å; Y310-V313 HydrophobicContact CE1-CG2 4.23Å; Y310-V313 HydrophobicContact CG-CG2 3.75Å; V313-F341 HydrophobicContact CB-CE1 4.29Å; V313-F341 HydrophobicContact CG2-CE1 3.69Å; V313-F341 HydrophobicContact CG2-CZ 4.21Å; V313-N348 PolarHBondContact N-O 3.36Å; V313-V349 HydrophobicContact CB-CG2 4.36Å; V313-V349 HydrophobicContact CG1-CG1 4.46Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.33Å; V313-K350 PolarHBondContact O-N 3.09Å; V313-F367 HydrophobicContact CB-CE2 4.35Å; V313-F367 HydrophobicContact CG1-CD2 4.07Å; V313-F367 HydrophobicContact CG1-CE2 3.44Å; V313-F367 VanDerWaalsContact CG1-CE2 3.44Å; V313-F367 HydrophobicContact CG1-CZ 4.25Å; V313-F367 HydrophobicContact CG2-CE2 4.01Å; V313-F367 HydrophobicContact CG2-CZ 4.04Å; V313-I368 CarbonylContact C-O 3.6Å; V313-I368 WeakPolarHBondContact CA-O 3.27Å
314A92.6Very high91.1Very high3 Ų344.5 Ų44.53%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-117.6136.5164.500000111L253 M257 K350 I368L253-A314 HydrophobicContact CD1-CB 4.13Å; M257-A314 HydrophobicContact CE-CB 4Å; M257-A314 HydrophobicContact CG-CB 4.46Å; M257-A314 HydrophobicContact SD-CB 3.59Å; M257-A314 VanDerWaalsContact SD-CB 3.59Å; A314-K350 CarbonylContact C-O 3.31Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.25Å; A314-K350 HydrophobicContact CB-CB 4.49Å; A314-I368 HydrophobicContact CB-CB 4.22Å; A314-I368 HydrophobicContact CB-CD1 4.44Å; A314-I368 PolarHBondContact N-O 3.08Å; A314-I368 PolarHBondContact O-N 3.39Å
315A93.1Very high91.2Very high0 Ų046.6 Ų46.60%021%0.206CC..EExtended strand (participates in β ladder)trans-122.3113.6175.300000109.6M293 F317 M330 K350 T351 A352 V365 T366M293-A315 HydrophobicContact CE-CB 3.77Å; M293-A315 HydrophobicContact SD-CB 3.56Å; M293-A315 VanDerWaalsContact SD-CB 3.56Å; A315-F317 HydrophobicContact CB-CD2 4.21Å; A315-F317 HydrophobicContact CB-CE2 3.69Å; A315-M330 HydrophobicContact CB-CE 3.8Å; A315-M330 HydrophobicContact CB-SD 4.02Å; A315-K350 PolarHBondContact N-O 2.89Å; A315-T351 WeakPolarHBondContact O-CA 3.15Å; A315-A352 PolarHBondContact O-N 3.04Å; A315-V365 HydrophobicContact CB-CG2 4.21Å; A315-T366 WeakPolarHBondContact CA-O 3.35Å
316I92.7Very high91.3Very high8 Ų846.3 Ų46.34%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-103.896.5-179.8-54.8172000108.2A352 V365 T366 I368I316-A352 HydrophobicContact CG1-CB 4.47Å; I316-V365 CarbonylContact O-C 3.06Å; I316-V365 VanDerWaalsContact O-CA 3.32Å; I316-V365 WeakPolarHBondContact O-CA 3.47Å; I316-T366 PolarHBondContact N-O 3.22Å; I316-T366 PolarHBondContact O-N 2.88Å; I316-I368 HydrophobicContact CD1-CD1 3.98Å
317F93.3Very high91.5Very high0 Ų042.3 Ų42.30%019%0.194CC..EExtended strand (participates in β ladder)trans-80.1140.7175.2-72.2-93.5000110.9L289 A315 M321 V326 M330 A352 V353 C354 S364 V365L289-F317 HydrophobicContact CB-CE1 4.21Å; L289-F317 HydrophobicContact CD1-CD1 4.35Å; L289-F317 HydrophobicContact CD1-CE1 4.5Å; A315-F317 HydrophobicContact CB-CD2 4.21Å; A315-F317 HydrophobicContact CB-CE2 3.69Å; F317-M321 HydrophobicContact CB-CE 3.82Å; F317-M321 HydrophobicContact CB-SD 3.57Å; F317-M321 VanDerWaalsContact CB-SD 3.57Å; F317-M321 HydrophobicContact CD1-CE 4.1Å; F317-M321 HydrophobicContact CD1-SD 3.47Å; F317-M321 WeakPolarHBondContact CD1-SD 3.49Å; F317-M321 HydrophobicContact CE1-SD 4.45Å; F317-M321 HydrophobicContact CG-CE 4.44Å; F317-M321 HydrophobicContact CG-SD 3.81Å; F317-V326 HydrophobicContact CD1-CG2 4.24Å; F317-V326 HydrophobicContact CD2-CG1 3.49Å; F317-V326 VanDerWaalsContact CD2-CG1 3.49Å; F317-V326 HydrophobicContact CD2-CG2 4.44Å; F317-V326 HydrophobicContact CE1-CG2 4.45Å; F317-V326 HydrophobicContact CE2-CG1 3.42Å; F317-V326 VanDerWaalsContact CE2-CG1 3.42Å; F317-V326 HydrophobicContact CG-CG1 4.1Å; F317-V326 HydrophobicContact CG-CG2 4.22Å; F317-V326 HydrophobicContact CZ-CG1 3.97Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.11Å; F317-M330 HydrophobicContact CZ-SD 4.22Å; F317-A352 PolarHBondContact N-O 2.99Å; F317-V353 HydrophobicContact CB-CG2 4.25Å; F317-V353 CarbonylContact O-C 3.42Å; F317-V353 WeakPolarHBondContact O-CA 3.16Å; F317-C354 PolarHBondContact O-N 2.88Å; F317-S364 WeakPolarHBondContact CA-O 3.24Å; F317-V365 HydrophobicContact CD1-CB 3.73Å; F317-V365 HydrophobicContact CD1-CG2 3.77Å; F317-V365 HydrophobicContact CD2-CG2 3.78Å; F317-V365 HydrophobicContact CE1-CB 3.79Å; F317-V365 HydrophobicContact CE1-CG1 4.37Å; F317-V365 HydrophobicContact CE1-CG2 3.73Å; F317-V365 HydrophobicContact CE2-CG2 3.72Å; F317-V365 HydrophobicContact CG-CB 4.17Å; F317-V365 HydrophobicContact CG-CG2 3.8Å; F317-V365 HydrophobicContact CZ-CB 4.27Å; F317-V365 HydrophobicContact CZ-CG2 3.7Å
318R92.1Very high91.6Very high0 Ų041.2 Ų41.20%019%0.189CC..EExtended strand (participates in β ladder)trans-130.6140.9-179.8-58.7-17863.8-177.60.4110.3E27 S234 T238 M321 C354 I356 M363 S364E27-R318 IonicContact OE1-CZ 3.79Å; E27-R318 VanDerWaalsContact OE1-CZ 3.29Å; E27-R318 IonicContact OE1-NH1 3.89Å; E27-R318 PolarHBondContact OE1-NH1 3.34Å; E27-R318 IonicContact OE1-NH2 3.41Å; E27-R318 PolarHBondContact OE1-NH2 2.89Å; E27-R318 IonicContact OE2-CZ 3.29Å; E27-R318 IonicContact OE2-NH1 2.79Å; E27-R318 IonicContact OE2-NH2 3.82Å; E27-R318 PolarHBondContact OE2-NH2 2.78Å; S234-R318 PolarHBondContact OG-NH1 2.97Å; T238-R318 HydrophobicContact CG2-CG 4.05Å; T238-R318 VanDerWaalsContact OG1-CD 3.28Å; T238-R318 WeakPolarHBondContact OG1-CD 3.4Å; T238-R318 VanDerWaalsContact OG1-CZ 3.31Å; T238-R318 PolarHBondContact OG1-NE 3.46Å; T238-R318 PolarHBondContact OG1-NH1 3.07Å; R318-M321 WeakPolarHBondContact O-CE 3.31Å; R318-C354 CarbonylContact C-O 3.59Å; R318-C354 VanDerWaalsContact CA-O 3.25Å; R318-C354 WeakPolarHBondContact CA-O 3.25Å; R318-I356 PolarHBondContact NE-O 2.83Å; R318-M363 CarbonylContact O-C 3.48Å; R318-M363 WeakPolarHBondContact O-CA 3.5Å; R318-M363 WeakPolarHBondContact O-CB 3.23Å; R318-S364 PolarHBondContact N-O 2.87Å; R318-S364 PolarHBondContact O-N 3.35Å
319G89.8Confident91.7Very high0 Ų043.1 Ų43.10%020%0.197CC..SBendtrans99.1163.6-173.400000112.8M321 C354G319-M321 WeakPolarHBondContact O-CE 3.25Å; G319-M321 PolarHBondContact O-N 3.24Å; G319-M321 VanDerWaalsContact O-N 3.15Å; G319-C354 PolarHBondContact N-O 3.04Å
320R87.2Confident91.6Very high222 Ų22239.5 Ų39.584%0.83818%0.183SC*.SBendtrans-71.3109.1-176.3-63.7-176.3-175.9-178.91.1110.7D355R320-D355 HydrophobicContact CG-CB 4.49Å
321M87.9Confident91.4Very high33 Ų3343.5 Ų43.516%0.16321%0.205CC..  trans-145.5159.9177.763.9-170.584.300112F317 R318 G319 M323 V326 V353 M363F317-M321 HydrophobicContact CB-CE 3.82Å; F317-M321 HydrophobicContact CB-SD 3.57Å; F317-M321 VanDerWaalsContact CB-SD 3.57Å; F317-M321 HydrophobicContact CD1-CE 4.1Å; F317-M321 HydrophobicContact CD1-SD 3.47Å; F317-M321 WeakPolarHBondContact CD1-SD 3.49Å; F317-M321 HydrophobicContact CE1-SD 4.45Å; F317-M321 HydrophobicContact CG-CE 4.44Å; F317-M321 HydrophobicContact CG-SD 3.81Å; R318-M321 WeakPolarHBondContact O-CE 3.31Å; G319-M321 WeakPolarHBondContact O-CE 3.25Å; G319-M321 PolarHBondContact O-N 3.24Å; G319-M321 VanDerWaalsContact O-N 3.15Å; M321-M323 PolarHBondContact O-N 3.45Å; M321-V326 HydrophobicContact CG-CG2 3.82Å; M321-V326 HydrophobicContact SD-CG2 3.51Å; M321-V326 VanDerWaalsContact SD-CG2 3.51Å; M321-V353 HydrophobicContact CG-CG1 3.94Å; M321-M363 HydrophobicContact CB-CE 4.47Å; M321-M363 HydrophobicContact CE-CB 3.89Å; M321-M363 HydrophobicContact CE-CE 3.87Å; M321-M363 HydrophobicContact SD-CE 4.13Å
322S88.3Confident91.3Very high61 Ų6147.8 Ų47.843%0.42723%0.228SC..  trans-73.8118.5177.6175.30000110.1K324 E325 V326S322-K324 PolarHBondContact O-N 3.33Å; S322-E325 WeakPolarHBondContact O-CB 3.5Å; S322-E325 PolarHBondContact O-N 3.02Å; S322-E325 PolarHBondContact OG-N 2.95Å; S322-V326 PolarHBondContact O-N 3Å
323M85.2Confident91.1Very high69 Ų6948.9 Ų48.934%0.3423%0.234SC..Hα-helixtrans-57-40.7174.4-174.9176.1-173.500111.6M321 E325 V326 D327M321-M323 PolarHBondContact O-N 3.45Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.28Å; M323-V326 PolarHBondContact O-N 3.39Å; M323-V326 VanDerWaalsContact O-N 3.17Å; M323-D327 PolarHBondContact O-N 3.04Å
324K89.8Confident90.9Very high146 Ų14651.2 Ų51.264%0.63525%0.245SC*.Hα-helixtrans-57.7-42.5175.8-179.3178.5172.2179.30111.8S322 E328S322-K324 PolarHBondContact O-N 3.33Å; K324-E328 WeakPolarHBondContact CE-OE1 3.49Å; K324-E328 IonicContact NZ-OE1 2.68Å; K324-E328 WeakPolarHBondContact O-CB 3.31Å; K324-E328 VanDerWaalsContact O-CG 3.23Å; K324-E328 WeakPolarHBondContact O-CG 3.26Å; K324-E328 PolarHBondContact O-N 2.9Å
325E91.2Very high90.7Very high73 Ų7355.7 Ų55.734%0.34127%0.269SS..Hα-helixtrans-67.7-42.5178.1-174.1-179-175.600110.9A286 P287 S322 M323 E328 Q329A286-E325 HydrophobicContact CB-CG 4.27Å; P287-E325 WeakPolarHBondContact CD-OE1 3.28Å; S322-E325 WeakPolarHBondContact O-CB 3.5Å; S322-E325 PolarHBondContact O-N 3.02Å; S322-E325 PolarHBondContact OG-N 2.95Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.28Å; E325-E328 PolarHBondContact O-N 2.88Å; E325-Q329 VanDerWaalsContact O-CG 3.27Å; E325-Q329 WeakPolarHBondContact O-CG 3.21Å; E325-Q329 PolarHBondContact O-N 3.39Å
326V90.8Very high90.6Very high0 Ų064 Ų640%031%0.305CS..Hα-helixtrans-58.6-51176.21700000111.1A286 F317 M321 S322 M323 E328 Q329 M330 T351 V353A286-V326 HydrophobicContact CB-CG2 4.27Å; F317-V326 HydrophobicContact CD1-CG2 4.24Å; F317-V326 HydrophobicContact CD2-CG1 3.49Å; F317-V326 VanDerWaalsContact CD2-CG1 3.49Å; F317-V326 HydrophobicContact CD2-CG2 4.44Å; F317-V326 HydrophobicContact CE1-CG2 4.45Å; F317-V326 HydrophobicContact CE2-CG1 3.42Å; F317-V326 VanDerWaalsContact CE2-CG1 3.42Å; F317-V326 HydrophobicContact CG-CG1 4.1Å; F317-V326 HydrophobicContact CG-CG2 4.22Å; F317-V326 HydrophobicContact CZ-CG1 3.97Å; M321-V326 HydrophobicContact CG-CG2 3.82Å; M321-V326 HydrophobicContact SD-CG2 3.51Å; M321-V326 VanDerWaalsContact SD-CG2 3.51Å; S322-V326 PolarHBondContact O-N 3Å; M323-V326 PolarHBondContact O-N 3.39Å; M323-V326 VanDerWaalsContact O-N 3.17Å; V326-E328 PolarHBondContact O-N 3.33Å; V326-Q329 PolarHBondContact O-N 3.16Å; V326-M330 HydrophobicContact CG1-CG 4.34Å; V326-M330 WeakPolarHBondContact O-CB 3.12Å; V326-M330 VanDerWaalsContact O-CG 3.23Å; V326-M330 WeakPolarHBondContact O-CG 3.44Å; V326-M330 PolarHBondContact O-N 2.73Å; V326-T351 HydrophobicContact CG1-CG2 4.43Å; V326-V353 HydrophobicContact CG1-CG2 4.45Å; V326-V353 HydrophobicContact CG2-CG2 4.47Å
327D90.9Very high90.4Very high62 Ų6265.4 Ų65.433%0.33231%0.313SS..Hα-helixtrans-64.6-40.4-178.6-68.2-25000111.6M323 Q329 M330 L331 T351M323-D327 PolarHBondContact O-N 3.04Å; D327-Q329 PolarHBondContact O-N 3.16Å; D327-M330 PolarHBondContact O-N 3.08Å; D327-L331 WeakPolarHBondContact O-CB 3.42Å; D327-L331 PolarHBondContact O-N 2.94Å; D327-T351 PolarHBondContact OD1-OG1 3.26Å
328E94Very high90.1Very high93 Ų9368.8 Ų68.844%0.43534%0.336SS..Hα-helixtrans-60.8-44.1173.5-77.3174.1-174.900111.8K324 E325 V326 N332K324-E328 WeakPolarHBondContact CE-OE1 3.49Å; K324-E328 IonicContact NZ-OE1 2.68Å; K324-E328 WeakPolarHBondContact O-CB 3.31Å; K324-E328 VanDerWaalsContact O-CG 3.23Å; K324-E328 WeakPolarHBondContact O-CG 3.26Å; K324-E328 PolarHBondContact O-N 2.9Å; E325-E328 PolarHBondContact O-N 2.88Å; V326-E328 PolarHBondContact O-N 3.33Å; E328-N332 WeakPolarHBondContact O-CB 3.35Å; E328-N332 PolarHBondContact O-N 2.82Å; E328-N332 PolarHBondContact O-ND2 3.16Å; E328-N332 VanDerWaalsContact O-ND2 3.09Å
329Q93.6Very high90Very high45 Ų4572.4 Ų72.421%0.2136%0.362CS..Hα-helixtrans-66.5-40.2178-68.5-47.4-57.200112.3P287 T290 E325 V326 D327 N332 V333P287-Q329 HydrophobicContact CB-CG 4.17Å; P287-Q329 HydrophobicContact CG-CG 3.83Å; T290-Q329 HydrophobicContact CG2-CB 4.28Å; E325-Q329 VanDerWaalsContact O-CG 3.27Å; E325-Q329 WeakPolarHBondContact O-CG 3.21Å; E325-Q329 PolarHBondContact O-N 3.39Å; V326-Q329 PolarHBondContact O-N 3.16Å; D327-Q329 PolarHBondContact O-N 3.16Å; Q329-N332 PolarHBondContact O-N 3.49Å; Q329-V333 WeakPolarHBondContact O-CG2 3.3Å; Q329-V333 PolarHBondContact O-N 2.66Å
330M92.4Very high90Very high5 Ų576.2 Ų76.23%0.02538%0.376CS..Hα-helixtrans-66.3-43.4179.1-71-65.4-55.200111.5T290 M293 F294 A315 F317 V326 D327 N332 V333 Q334 V349 T351T290-M330 HydrophobicContact CG2-SD 3.7Å; M293-M330 HydrophobicContact CE-CE 3.85Å; M293-M330 HydrophobicContact CE-SD 3.6Å; M293-M330 VanDerWaalsContact CE-SD 3.6Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.22Å; F294-M330 HydrophobicContact CZ-CE 4.15Å; A315-M330 HydrophobicContact CB-CE 3.8Å; A315-M330 HydrophobicContact CB-SD 4.02Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.11Å; F317-M330 HydrophobicContact CZ-SD 4.22Å; V326-M330 HydrophobicContact CG1-CG 4.34Å; V326-M330 WeakPolarHBondContact O-CB 3.12Å; V326-M330 VanDerWaalsContact O-CG 3.23Å; V326-M330 WeakPolarHBondContact O-CG 3.44Å; V326-M330 PolarHBondContact O-N 2.73Å; D327-M330 PolarHBondContact O-N 3.08Å; M330-N332 PolarHBondContact O-N 3.12Å; M330-V333 PolarHBondContact O-N 3.23Å; M330-Q334 WeakPolarHBondContact O-CB 3.48Å; M330-Q334 PolarHBondContact O-N 2.84Å; M330-V349 HydrophobicContact CE-CG1 3.37Å; M330-T351 HydrophobicContact CB-CG2 3.97Å; M330-T351 HydrophobicContact CE-CG2 4.22Å; M330-T351 HydrophobicContact CG-CG2 3.56Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
331L91.8Very high90.3Very high92 Ų9266 Ų6648%0.48234%0.338SS..Hα-helixtrans-61.7-42.8173.9-177.663.3000111.8D327 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.42Å; D327-L331 PolarHBondContact O-N 2.94Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 2.74Å; L331-Q334 PolarHBondContact O-N 3.2Å; L331-N335 WeakPolarHBondContact O-CB 3.49Å; L331-N335 VanDerWaalsContact O-CG 3.24Å; L331-N335 PolarHBondContact O-N 3.05Å; L331-N335 PolarHBondContact O-ND2 3.2Å
332N92.4Very high90.4Very high90 Ų9064.7 Ų64.748%0.48133%0.332SS..Hα-helixtrans-61.7-42.1177.6-74.3-26.9000112.3E328 Q329 M330 K336E328-N332 WeakPolarHBondContact O-CB 3.35Å; E328-N332 PolarHBondContact O-N 2.82Å; E328-N332 PolarHBondContact O-ND2 3.16Å; E328-N332 VanDerWaalsContact O-ND2 3.09Å; Q329-N332 PolarHBondContact O-N 3.49Å; M330-N332 PolarHBondContact O-N 3.12Å; N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 PolarHBondContact O-N 3.03Å
333V90.1Very high90.3Very high24 Ų2469 Ų6915%0.14535%0.345CS..Hα-helixtrans-70.2-41.2178.4174.10000111.4T290 F294 Q329 M330 L331 N335 K336 N337T290-V333 HydrophobicContact CG2-CB 4.31Å; T290-V333 HydrophobicContact CG2-CG2 3.7Å; F294-V333 HydrophobicContact CB-CG1 4.38Å; F294-V333 HydrophobicContact CD1-CG1 4.28Å; F294-V333 HydrophobicContact CD2-CB 4.37Å; F294-V333 HydrophobicContact CD2-CG1 3.42Å; F294-V333 VanDerWaalsContact CD2-CG1 3.42Å; F294-V333 HydrophobicContact CE1-CG1 4.42Å; F294-V333 HydrophobicContact CE2-CB 4.23Å; F294-V333 HydrophobicContact CE2-CG1 3.54Å; F294-V333 HydrophobicContact CG-CG1 3.79Å; F294-V333 HydrophobicContact CZ-CG1 4.06Å; Q329-V333 WeakPolarHBondContact O-CG2 3.3Å; Q329-V333 PolarHBondContact O-N 2.66Å; M330-V333 PolarHBondContact O-N 3.23Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 2.74Å; V333-N335 PolarHBondContact O-N 3.24Å; V333-K336 PolarHBondContact O-N 3.46Å; V333-N337 WeakPolarHBondContact CG1-ND2 3.49Å; V333-N337 VanDerWaalsContact O-CB 3.27Å; V333-N337 WeakPolarHBondContact O-CB 3.36Å; V333-N337 PolarHBondContact O-N 3.4Å
334Q89.1Confident90.3Very high49 Ų4967.4 Ų67.423%0.22934%0.336CS..Hα-helixtrans-58.6-47.3174-171.6-176.319.200111.3M330 L331 K336 N337 S338 F341 N348 V349M330-Q334 WeakPolarHBondContact O-CB 3.48Å; M330-Q334 PolarHBondContact O-N 2.84Å; L331-Q334 PolarHBondContact O-N 3.2Å; Q334-K336 PolarHBondContact O-N 3.45Å; Q334-N337 CarbonylContact O-C 3.16Å; Q334-N337 VanDerWaalsContact O-C 3.31Å; Q334-N337 PolarHBondContact O-N 3.39Å; Q334-S338 WeakPolarHBondContact O-CA 3.36Å; Q334-S338 PolarHBondContact O-N 2.82Å; Q334-F341 HydrophobicContact CG-CD2 4.37Å; Q334-F341 HydrophobicContact CG-CE2 4.36Å; Q334-N348 PolarHBondContact NE2-OD1 3.37Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.15Å; Q334-V349 HydrophobicContact CG-CG2 4.16Å
335N89.9Confident90.2Very high98 Ų9861.9 Ų61.952%0.52431%0.313SS..Hα-helixtrans-63.4-40.9178.4-72.8-26000112.7L331 V333 N337L331-N335 WeakPolarHBondContact O-CB 3.49Å; L331-N335 VanDerWaalsContact O-CG 3.24Å; L331-N335 PolarHBondContact O-N 3.05Å; L331-N335 PolarHBondContact O-ND2 3.2Å; V333-N335 PolarHBondContact O-N 3.24Å; N335-N337 VanDerWaalsContact C-N 3.28Å; N335-N337 PolarHBondContact O-N 3.01Å
336K89.9Confident89.9Confident175 Ų17563.3 Ų63.376%0.76133%0.328SS*.Hα-helixtrans-66.9-32.8178.4-176.7179.7176.1-174.20112.3N332 V333 Q334N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 PolarHBondContact O-N 3.03Å; V333-K336 PolarHBondContact O-N 3.46Å; Q334-K336 PolarHBondContact O-N 3.45Å
337N88.2Confident89.6Confident37 Ų3769.4 Ų69.420%0.19836%0.361CS..THydrogen-bonded Turntrans-109.322.2-175.3-68.5-27.7000111.8V333 Q334 N335 S339 Y340 F341V333-N337 WeakPolarHBondContact CG1-ND2 3.49Å; V333-N337 VanDerWaalsContact O-CB 3.27Å; V333-N337 WeakPolarHBondContact O-CB 3.36Å; V333-N337 PolarHBondContact O-N 3.4Å; Q334-N337 CarbonylContact O-C 3.16Å; Q334-N337 VanDerWaalsContact O-C 3.31Å; Q334-N337 PolarHBondContact O-N 3.39Å; N335-N337 VanDerWaalsContact C-N 3.28Å; N335-N337 PolarHBondContact O-N 3.01Å; N337-S339 PolarHBondContact O-N 2.83Å; N337-S339 VanDerWaalsContact O-N 3.09Å; N337-Y340 HydrophobicContact CB-CD2 3.88Å; N337-Y340 WeakPolarHBondContact O-CA 3.48Å; N337-Y340 WeakPolarHBondContact O-CB 3.46Å; N337-Y340 PolarHBondContact O-N 3.3Å; N337-F341 HydrophobicContact CB-CE2 4.18Å; N337-F341 WeakPolarHBondContact O-CD2 3.28Å
338S87.9Confident89.4Confident70 Ų7066.8 Ų66.849%0.4935%0.347SS..G310 helixtrans-58.3-32.5-168.362.90000112.9Q334 Y340 F341Q334-S338 WeakPolarHBondContact O-CA 3.36Å; Q334-S338 PolarHBondContact O-N 2.82Å; S338-Y340 PolarHBondContact O-N 3.33Å; S338-F341 PolarHBondContact O-N 3.13Å
339S88.9Confident89.3Confident77 Ų7763.5 Ų63.554%0.53833%0.333SS..G310 helixtrans-63.9-18.8175.260.10000114.6N337N337-S339 PolarHBondContact O-N 2.83Å; N337-S339 VanDerWaalsContact O-N 3.09Å
340Y91.3Very high89.1Confident80 Ų8063.7 Ų63.731%0.31433%0.333SS..G310 helixtrans-95.77.2176.3-55.2-52.2000112.2R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.1Å; R306-Y340 HydrophobicContact CG-CE1 4.29Å; R306-Y340 HydrophobicContact CG-CE2 4.36Å; R309-Y340 CarbonylContact C-O 3.56Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.37Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.42Å; Y310-Y340 PolarHBondContact N-O 2.99Å; N337-Y340 HydrophobicContact CB-CD2 3.88Å; N337-Y340 WeakPolarHBondContact O-CA 3.48Å; N337-Y340 WeakPolarHBondContact O-CB 3.46Å; N337-Y340 PolarHBondContact O-N 3.3Å; S338-Y340 PolarHBondContact O-N 3.33Å
341F92.3Very high89Confident7 Ų764.4 Ų64.43%0.03134%0.338CS..BIsolated β-bridgetrans-113.8145172.6-72.4-95.9000109F294 Y310 V313 Q334 N337 S338 V349F294-F341 AromaticContact CE1-CZ 3.9Å; F294-F341 HydrophobicContact CE1-CZ 3.9Å; F294-F341 HydrophobicContact CZ-CZ 4.25Å; Y310-F341 HydrophobicContact CD2-CD1 4.47Å; Y310-F341 HydrophobicContact CD2-CD2 4.49Å; Y310-F341 HydrophobicContact CD2-CE1 4.1Å; Y310-F341 HydrophobicContact CD2-CE2 4.11Å; Y310-F341 AromaticContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CG-CD1 4.44Å; Y310-F341 HydrophobicContact CG-CE1 4.15Å; Y310-F341 HydrophobicContact CG-CZ 4.4Å; V313-F341 HydrophobicContact CB-CE1 4.29Å; V313-F341 HydrophobicContact CG2-CE1 3.69Å; V313-F341 HydrophobicContact CG2-CZ 4.21Å; Q334-F341 HydrophobicContact CG-CD2 4.37Å; Q334-F341 HydrophobicContact CG-CE2 4.36Å; N337-F341 HydrophobicContact CB-CE2 4.18Å; N337-F341 WeakPolarHBondContact O-CD2 3.28Å; S338-F341 PolarHBondContact O-N 3.13Å; F341-V349 HydrophobicContact CD1-CG2 4.26Å; F341-V349 HydrophobicContact CE1-CG2 3.6Å; F341-V349 HydrophobicContact CZ-CG2 4.16Å
342V90.6Very high88.8Confident5 Ų560.2 Ų60.23%0.0332%0.316CS..  trans-68.6142.7169.7-61.40000110.4R309 Y310 L311 W344 I345 N348R309-V342 HydrophobicContact CB-CG1 3.83Å; Y310-V342 PolarHBondContact O-N 2.91Å; L311-V342 HydrophobicContact CD2-CG1 3.68Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; V342-W344 HydrophobicContact CB-CD2 4.44Å; V342-W344 HydrophobicContact CB-CZ2 4.02Å; V342-W344 HydrophobicContact CG1-CZ2 4Å; V342-W344 HydrophobicContact CG2-CD2 4.36Å; V342-W344 HydrophobicContact CG2-CZ2 3.87Å; V342-I345 HydrophobicContact CG2-CB 4Å; V342-I345 HydrophobicContact CG2-CD1 3.92Å; V342-I345 HydrophobicContact CG2-CG1 3.79Å; V342-N348 PolarHBondContact O-ND2 3.38Å
343E86.5Confident88.6Confident152 Ų15256.8 Ų56.871%0.7130%0.298SS*.SBendtrans-87.5-25.6-175.9-63-177.6172.800112.6
344W85.8Confident88.5Confident36 Ų3655.7 Ų55.714%0.13629%0.292CS..SBendtrans-80.2-16-17552.1-98.2000113.9P259 F260 L311 V342 P346 T425P259-W344 HydrophobicContact CB-CH2 4.35Å; P259-W344 HydrophobicContact CB-CZ3 4.41Å; P259-W344 HydrophobicContact CG-CH2 4.49Å; F260-W344 AromaticContact CE2-CH2 3.75Å; F260-W344 HydrophobicContact CE2-CH2 3.75Å; F260-W344 HydrophobicContact CE2-CZ3 4.05Å; F260-W344 HydrophobicContact CZ-CH2 4.49Å; F260-W344 HydrophobicContact CZ-CZ3 4.38Å; L311-W344 HydrophobicContact CD2-CH2 4.4Å; L311-W344 HydrophobicContact CD2-CZ2 3.97Å; V342-W344 HydrophobicContact CB-CD2 4.44Å; V342-W344 HydrophobicContact CB-CZ2 4.02Å; V342-W344 HydrophobicContact CG1-CZ2 4Å; V342-W344 HydrophobicContact CG2-CD2 4.36Å; V342-W344 HydrophobicContact CG2-CZ2 3.87Å; W344-P346 WeakPolarHBondContact O-CD 3.34Å; W344-T425 HydrophobicContact CH2-CG2 3.83Å; W344-T425 HydrophobicContact CZ2-CG2 3.34Å
345I86.7Confident88.4Confident30 Ų3057.8 Ų57.815%0.15431%0.305CS..SBendtrans-94.8105.5169.2-54-179.2000110.2P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 3.76Å; P259-I345 HydrophobicContact CG-CD1 3.96Å; L311-I345 HydrophobicContact CB-CD1 4.2Å; L311-I345 WeakPolarHBondContact O-CD1 3.49Å; T312-I345 HydrophobicContact CG2-CD1 4.18Å; V342-I345 HydrophobicContact CG2-CB 4Å; V342-I345 HydrophobicContact CG2-CD1 3.92Å; V342-I345 HydrophobicContact CG2-CG1 3.79Å; I345-N348 HydrophobicContact CB-CB 4.05Å; I345-N348 HydrophobicContact CG2-CB 3.74Å
346P84.4Confident88.2Confident103 Ų10354.3 Ų54.367%0.66929%0.286SS*.THydrogen-bonded Turntrans-70.1146.3174.829.9-35.3000111.5W344 N348W344-P346 WeakPolarHBondContact O-CD 3.34Å; P346-N348 PolarHBondContact O-N 3.24Å
347N84.4Confident88.1Confident127 Ų12748.1 Ų48.168%0.67926%0.264SS*.THydrogen-bonded Turntrans52.239.2176.5-56.9-57.1000113.6V349 K350N347-V349 PolarHBondContact O-N 3.35Å; N347-V349 VanDerWaalsContact O-N 3.16Å; N347-K350 WeakPolarHBondContact O-CE 3.5Å; N347-K350 PolarHBondContact O-NZ 3.23Å
348N87.8Confident88.2Confident7 Ų746.9 Ų46.94%0.03726%0.258CS..  trans-70.4-2.1-17760.8-2.1000115.3L311 T312 V313 Q334 V342 I345 P346L311-N348 WeakPolarHBondContact O-CB 3.36Å; L311-N348 PolarHBondContact O-ND2 3.02Å; T312-N348 CarbonylContact C-O 3.41Å; T312-N348 VanDerWaalsContact CA-O 3.28Å; T312-N348 WeakPolarHBondContact CA-O 3.4Å; V313-N348 PolarHBondContact N-O 3.36Å; Q334-N348 PolarHBondContact NE2-OD1 3.37Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.15Å; V342-N348 PolarHBondContact O-ND2 3.38Å; I345-N348 HydrophobicContact CB-CB 4.05Å; I345-N348 HydrophobicContact CG2-CB 3.74Å; P346-N348 PolarHBondContact O-N 3.24Å
349V90.5Very high88.1Confident24 Ų2448.7 Ų48.715%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-106.2122.7173.7-178.40000109.8V313 M330 Q334 F341 N347V313-V349 HydrophobicContact CB-CG2 4.36Å; V313-V349 HydrophobicContact CG1-CG1 4.46Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.33Å; M330-V349 HydrophobicContact CE-CG1 3.37Å; Q334-V349 HydrophobicContact CG-CG2 4.16Å; F341-V349 HydrophobicContact CD1-CG2 4.26Å; F341-V349 HydrophobicContact CE1-CG2 3.6Å; F341-V349 HydrophobicContact CZ-CG2 4.16Å; N347-V349 PolarHBondContact O-N 3.35Å; N347-V349 VanDerWaalsContact O-N 3.16Å
350K90.1Very high88Confident49 Ų4949.2 Ų49.221%0.21327%0.271CS..EExtended strand (participates in β ladder)trans-113.7134175.5-57.4-52.5-174.2-1540110.9N256 V313 A314 A315 N347N256-K350 HydrophobicContact CB-CG 4.14Å; N256-K350 VanDerWaalsContact OD1-CE 3.3Å; N256-K350 WeakPolarHBondContact OD1-CE 3.48Å; V313-K350 PolarHBondContact O-N 3.09Å; A314-K350 CarbonylContact C-O 3.31Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.25Å; A314-K350 HydrophobicContact CB-CB 4.49Å; A315-K350 PolarHBondContact N-O 2.89Å; N347-K350 WeakPolarHBondContact O-CE 3.5Å; N347-K350 PolarHBondContact O-NZ 3.23Å
351T89.7Confident87.9Confident21 Ų2148 Ų4813%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-114.5140.9176.8550000110.1A315 V326 D327 M330A315-T351 WeakPolarHBondContact O-CA 3.15Å; V326-T351 HydrophobicContact CG1-CG2 4.43Å; D327-T351 PolarHBondContact OD1-OG1 3.26Å; M330-T351 HydrophobicContact CB-CG2 3.97Å; M330-T351 HydrophobicContact CE-CG2 4.22Å; M330-T351 HydrophobicContact CG-CG2 3.56Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
352A88.6Confident87.7Confident3 Ų356.3 Ų56.33%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-134.4144.1170.900000109L246 A315 I316 F317L246-A352 WeakPolarHBondContact O-CB 3.12Å; A315-A352 PolarHBondContact O-N 3.04Å; I316-A352 HydrophobicContact CG1-CB 4.47Å; F317-A352 PolarHBondContact N-O 2.99Å
353V88.6Confident87.8Confident18 Ų1857 Ų5711%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-127.7127.6177.4-173.20000108.9F317 M321 V326F317-V353 HydrophobicContact CB-CG2 4.25Å; F317-V353 CarbonylContact O-C 3.42Å; F317-V353 WeakPolarHBondContact O-CA 3.16Å; M321-V353 HydrophobicContact CG-CG1 3.94Å; V326-V353 HydrophobicContact CG1-CG2 4.45Å; V326-V353 HydrophobicContact CG2-CG2 4.47Å
354C88.1Confident88.2Confident1 Ų149.7 Ų49.71%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-118.2129.4171.9179.40000109.2T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.64Å; F317-C354 PolarHBondContact O-N 2.88Å; R318-C354 CarbonylContact C-O 3.59Å; R318-C354 VanDerWaalsContact CA-O 3.25Å; R318-C354 WeakPolarHBondContact CA-O 3.25Å; G319-C354 PolarHBondContact N-O 3.04Å; C354-I356 PolarHBondContact O-N 3.04Å
355D85.4Confident88.7Confident94 Ų9448 Ų4850%0.50327%0.269SS..SBendtrans-71.1-12.7-177.1-73.5-32.4000113.9R320 P357R320-D355 HydrophobicContact CG-CB 4.49Å; D355-P357 VanDerWaalsContact O-CD 3.24Å; D355-P357 WeakPolarHBondContact O-CD 3.29Å
356I85.8Confident89Confident25 Ų2546.6 Ų46.613%0.12826%0.261CS..  trans-89.6106.5180-62174.6000109.3L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.78Å; F242-I356 HydrophobicContact CB-CD1 4.02Å; F242-I356 HydrophobicContact CD1-CD1 3.38Å; F242-I356 HydrophobicContact CD2-CB 4.33Å; F242-I356 HydrophobicContact CD2-CD1 4.24Å; F242-I356 HydrophobicContact CD2-CG2 4.32Å; F242-I356 HydrophobicContact CE1-CD1 3.86Å; F242-I356 HydrophobicContact CE2-CG2 4.06Å; F242-I356 HydrophobicContact CG-CB 4.48Å; F242-I356 HydrophobicContact CG-CD1 3.61Å; F242-I356 HydrophobicContact CZ-CD1 4.45Å; F242-I356 HydrophobicContact CZ-CG2 4.24Å; R318-I356 PolarHBondContact NE-O 2.83Å; C354-I356 PolarHBondContact O-N 3.04Å
357P88.5Confident89.5Confident45 Ų4541.7 Ų41.729%0.29223%0.229SC..PPolyproline II helixtrans-72.5159.2174.933.7-35000110.6D355 L361 K362D355-P357 VanDerWaalsContact O-CD 3.24Å; D355-P357 WeakPolarHBondContact O-CD 3.29Å; P357-L361 WeakPolarHBondContact CB-O 3.4Å; P357-K362 WeakPolarHBondContact CB-O 3.3Å
358P89.8Confident90Very high11 Ų1135.6 Ų35.67%0.07120%0.197CC..PPolyproline II helixtrans-59147.8166.7-15.727.7000110.6F270 G360 L361 S364F270-P358 HydrophobicContact CZ-CG 4.45Å; P358-G360 PolarHBondContact O-N 2.99Å; P358-L361 HydrophobicContact CB-CD1 4.29Å; P358-L361 HydrophobicContact CG-CD1 4.26Å; P358-L361 PolarHBondContact O-N 3.33Å; P358-S364 VanDerWaalsContact CD-OG 3.23Å; P358-S364 WeakPolarHBondContact CD-OG 3.19Å; P358-S364 WeakPolarHBondContact CG-OG 3.4Å
359R87.3Confident90.3Very high108 Ų10835.3 Ų35.341%0.40820%0.195SC..THydrogen-bonded Turntrans-57.5134.9177-72.7-75.3-163.3-166.44.2110.9D26 E27 Q43 L361D26-R359 HydrophobicContact CB-CG 4.33Å; D26-R359 PolarHBondContact O-NE 3.38Å; D26-R359 PolarHBondContact O-NH2 3.46Å; D26-R359 IonicContact OD1-NE 3.7Å; D26-R359 VanDerWaalsContact OD2-CB 3.28Å; D26-R359 WeakPolarHBondContact OD2-CB 3.24Å; D26-R359 WeakPolarHBondContact OD2-CG 3.34Å; E27-R359 HydrophobicContact CG-CG 4.25Å; Q43-R359 VanDerWaalsContact NE2-NH2 3.16Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.39Å
360G85.8Confident90.6Very high88 Ų8834.1 Ų34.191%0.90719%0.188SC*.THydrogen-bonded Turntrans82.1-6.2-176.200000115.3P358P358-G360 PolarHBondContact O-N 2.99Å
361L89.2Confident90.8Very high54 Ų5431.8 Ų31.828%0.28318%0.178SC..  trans-117.5152.8176.8-62.4177.7000111.1F270 P272 P357 P358 R359F270-L361 HydrophobicContact CE1-CD1 4.17Å; F270-L361 HydrophobicContact CZ-CD1 3.89Å; P272-L361 HydrophobicContact CG-CD2 4.41Å; P357-L361 WeakPolarHBondContact CB-O 3.4Å; P358-L361 HydrophobicContact CB-CD1 4.29Å; P358-L361 HydrophobicContact CG-CD1 4.26Å; P358-L361 PolarHBondContact O-N 3.33Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.39Å
362K89.3Confident91.1Very high181 Ų18130.8 Ų30.879%0.78717%0.172SC*.SBendtrans-86.1-32.9172.3-69.4-175.5178.4179.20112.3P357P357-K362 WeakPolarHBondContact CB-O 3.3Å
363M92.7Very high91.5Very high19 Ų1930.7 Ų30.79%0.09417%0.171CC..  trans-159.1154.4178.357.3-166.7-61.900110L284 A286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.89Å; L284-M363 HydrophobicContact CB-SD 4.06Å; L284-M363 VanDerWaalsContact O-SD 3.42Å; A286-M363 HydrophobicContact CB-CE 4.3Å; L289-M363 HydrophobicContact CD1-CB 4.23Å; L289-M363 HydrophobicContact CD1-CE 3.57Å; L289-M363 HydrophobicContact CD1-CG 3.95Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.32Å; R318-M363 CarbonylContact O-C 3.48Å; R318-M363 WeakPolarHBondContact O-CA 3.5Å; R318-M363 WeakPolarHBondContact O-CB 3.23Å; M321-M363 HydrophobicContact CB-CE 4.47Å; M321-M363 HydrophobicContact CE-CB 3.89Å; M321-M363 HydrophobicContact CE-CE 3.87Å; M321-M363 HydrophobicContact SD-CE 4.13Å
364S94.6Very high91.8Very high0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-151.4170.4174.770.60000110A271 F317 R318 P358A271-S364 CarbonylContact O-C 3.48Å; A271-S364 WeakPolarHBondContact O-CA 3.15Å; A271-S364 VanDerWaalsContact O-CB 3.22Å; A271-S364 WeakPolarHBondContact O-CB 3.34Å; F317-S364 WeakPolarHBondContact CA-O 3.24Å; R318-S364 PolarHBondContact N-O 2.87Å; R318-S364 PolarHBondContact O-N 3.35Å; P358-S364 VanDerWaalsContact CD-OG 3.23Å; P358-S364 WeakPolarHBondContact CD-OG 3.19Å; P358-S364 WeakPolarHBondContact CG-OG 3.4Å
365V94.6Very high92.1Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5140.4168.465.40000109.2A271 L289 M293 A315 I316 F317A271-V365 HydrophobicContact CB-CG1 3.78Å; A271-V365 PolarHBondContact N-O 3Å; A271-V365 PolarHBondContact O-N 3.06Å; L289-V365 HydrophobicContact CB-CB 4.47Å; L289-V365 HydrophobicContact CB-CG1 3.83Å; L289-V365 HydrophobicContact CD1-CB 4.43Å; L289-V365 HydrophobicContact CD1-CG1 4.48Å; L289-V365 HydrophobicContact CD2-CG1 4.5Å; M293-V365 HydrophobicContact CB-CG1 4.03Å; M293-V365 HydrophobicContact CG-CG1 4.11Å; M293-V365 HydrophobicContact CG-CG2 4.44Å; M293-V365 HydrophobicContact SD-CB 4.39Å; M293-V365 HydrophobicContact SD-CG1 4.07Å; M293-V365 HydrophobicContact SD-CG2 3.41Å; M293-V365 WeakPolarHBondContact SD-CG2 3.41Å; A315-V365 HydrophobicContact CB-CG2 4.21Å; I316-V365 CarbonylContact O-C 3.06Å; I316-V365 VanDerWaalsContact O-CA 3.32Å; I316-V365 WeakPolarHBondContact O-CA 3.47Å; F317-V365 HydrophobicContact CD1-CB 3.73Å; F317-V365 HydrophobicContact CD1-CG2 3.77Å; F317-V365 HydrophobicContact CD2-CG2 3.78Å; F317-V365 HydrophobicContact CE1-CB 3.79Å; F317-V365 HydrophobicContact CE1-CG1 4.37Å; F317-V365 HydrophobicContact CE1-CG2 3.73Å; F317-V365 HydrophobicContact CE2-CG2 3.72Å; F317-V365 HydrophobicContact CG-CB 4.17Å; F317-V365 HydrophobicContact CG-CG2 3.8Å; F317-V365 HydrophobicContact CZ-CB 4.27Å; F317-V365 HydrophobicContact CZ-CG2 3.7Å
366T94.4Very high92.5Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-110.9127.1171.2-570000108.9T232 G235 V236 G269 A315 I316T232-T366 HydrophobicContact CG2-CG2 4.17Å; G235-T366 VanDerWaalsContact CA-OG1 3.25Å; G235-T366 WeakPolarHBondContact CA-OG1 3.44Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; G269-T366 CarbonylContact O-C 3.46Å; G269-T366 WeakPolarHBondContact O-CA 3.43Å; A315-T366 WeakPolarHBondContact CA-O 3.35Å; I316-T366 PolarHBondContact N-O 3.22Å; I316-T366 PolarHBondContact O-N 2.88Å
367F94.9Very high92.8Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-94.5140.4178.1-176.4-107.6000109.9M267 P268 G269 M293 F294 M299 Y310 V313 G369M267-F367 WeakPolarHBondContact O-CD1 3.35Å; P268-F367 CarbonylContact C-O 3.58Å; P268-F367 VanDerWaalsContact CA-O 3.26Å; P268-F367 WeakPolarHBondContact CA-O 3.45Å; G269-F367 PolarHBondContact N-O 2.64Å; G269-F367 PolarHBondContact O-N 3.37Å; M293-F367 HydrophobicContact CE-CD2 4Å; M293-F367 HydrophobicContact CG-CB 3.51Å; M293-F367 HydrophobicContact CG-CD2 3.62Å; M293-F367 HydrophobicContact CG-CG 3.89Å; M293-F367 HydrophobicContact SD-CB 4.13Å; M293-F367 HydrophobicContact SD-CD2 3.85Å; M293-F367 HydrophobicContact SD-CG 4.47Å; F294-F367 HydrophobicContact CD1-CE2 4.27Å; F294-F367 AromaticContact CE1-CE2 3.91Å; F294-F367 HydrophobicContact CE1-CE2 3.91Å; F294-F367 HydrophobicContact CE1-CZ 4.49Å; F294-F367 HydrophobicContact CZ-CE2 4.24Å; M299-F367 HydrophobicContact CE-CD1 3.57Å; M299-F367 HydrophobicContact CE-CE1 3.35Å; M299-F367 HydrophobicContact CE-CE2 4.39Å; M299-F367 HydrophobicContact CE-CG 4.2Å; M299-F367 HydrophobicContact CE-CZ 3.8Å; M299-F367 HydrophobicContact SD-CD1 3.39Å; M299-F367 WeakPolarHBondContact SD-CD1 3.18Å; M299-F367 HydrophobicContact SD-CE1 3.52Å; M299-F367 VanDerWaalsContact SD-CE1 3.52Å; M299-F367 HydrophobicContact SD-CG 4.32Å; Y310-F367 HydrophobicContact CD1-CZ 4.34Å; Y310-F367 HydrophobicContact CE1-CE1 4.14Å; Y310-F367 AromaticContact CE1-CZ 3.56Å; Y310-F367 HydrophobicContact CE1-CZ 3.56Å; Y310-F367 AromaticContact CZ-CZ 3.91Å; V313-F367 HydrophobicContact CB-CE2 4.35Å; V313-F367 HydrophobicContact CG1-CD2 4.07Å; V313-F367 HydrophobicContact CG1-CE2 3.44Å; V313-F367 VanDerWaalsContact CG1-CE2 3.44Å; V313-F367 HydrophobicContact CG1-CZ 4.25Å; V313-F367 HydrophobicContact CG2-CE2 4.01Å; V313-F367 HydrophobicContact CG2-CZ 4.04Å; F367-G369 VanDerWaalsContact CE1-CA 3.43Å; F367-G369 VanDerWaalsContact CE1-N 3.3Å
368I94.7Very high93.1Very high0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-133.6108.5167.4-51.6170.1000105.8Y200 V236 L253 M257 F266 V313 A314 I316Y200-I368 HydrophobicContact CD1-CG2 4.37Å; Y200-I368 HydrophobicContact CE1-CB 4.44Å; Y200-I368 HydrophobicContact CE1-CD1 3.87Å; Y200-I368 HydrophobicContact CE1-CG1 3.95Å; Y200-I368 HydrophobicContact CE1-CG2 3.67Å; V236-I368 HydrophobicContact CG1-CD1 4.23Å; V236-I368 HydrophobicContact CG2-CD1 4.05Å; V236-I368 HydrophobicContact CG2-CG1 4.15Å; L253-I368 HydrophobicContact CD1-CD1 4.4Å; L253-I368 HydrophobicContact CD2-CD1 4.05Å; M257-I368 HydrophobicContact CE-CB 4.31Å; M257-I368 HydrophobicContact CE-CG2 3.97Å; M257-I368 VanDerWaalsContact CE-O 3.26Å; M257-I368 WeakPolarHBondContact CE-O 3.12Å; F266-I368 HydrophobicContact CB-CG2 3.73Å; F266-I368 HydrophobicContact CD1-CG2 4.18Å; F266-I368 HydrophobicContact CD2-CG2 3.87Å; F266-I368 HydrophobicContact CG-CG2 3.66Å; V313-I368 CarbonylContact C-O 3.6Å; V313-I368 WeakPolarHBondContact CA-O 3.27Å; A314-I368 HydrophobicContact CB-CB 4.22Å; A314-I368 HydrophobicContact CB-CD1 4.44Å; A314-I368 PolarHBondContact N-O 3.08Å; A314-I368 PolarHBondContact O-N 3.39Å; I316-I368 HydrophobicContact CD1-CD1 3.98Å
369G94.6Very high93.3Very high0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-110.5122.8177.100000111.1F266 M267 F367F266-G369 WeakPolarHBondContact CA-O 3.45Å; M267-G369 PolarHBondContact N-O 3.05Å; M267-G369 PolarHBondContact O-N 2.94Å; F367-G369 VanDerWaalsContact CE1-CA 3.43Å; F367-G369 VanDerWaalsContact CE1-N 3.3Å
370N95.7Very high93.6Very high0 Ų027.6 Ų27.60%015%0.148CC..EExtended strand (participates in β ladder)trans-90.9112.9161.6-168.4-11.5000107.7M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 2.97Å; L263-N370 PolarHBondContact O-ND2 3.35Å; F266-N370 HydrophobicContact CD1-CB 3.82Å; F266-N370 HydrophobicContact CE1-CB 3.93Å; Y310-N370 CarbonylContact C-O 3.47Å; Y310-N370 WeakPolarHBondContact CA-O 3.45Å; L311-N370 HydrophobicContact CB-CB 4.34Å; L311-N370 PolarHBondContact N-O 3.3Å; T312-N370 PolarHBondContact N-O 2.95Å; T312-N370 PolarHBondContact O-N 3.07Å; T312-N370 VanDerWaalsContact OG1-CB 3.25Å; T312-N370 WeakPolarHBondContact OG1-CB 3.22Å
371S95.7Very high93.9Very high0 Ų023.6 Ų23.60%011%0.106CC..EExtended strand (participates in β ladder)trans-140145-176.6-177.80000111.3R309 A373 I374R309-S371 CarbonylContact O-C 3.56Å; R309-S371 WeakPolarHBondContact O-CA 3.16Å; R309-S371 WeakPolarHBondContact O-CB 3.43Å; R309-S371 PolarHBondContact O-OG 3.41Å; S371-A373 PolarHBondContact O-N 2.78Å; S371-A373 VanDerWaalsContact O-N 3.12Å; S371-A373 PolarHBondContact OG-N 3.45Å; S371-I374 WeakPolarHBondContact O-CB 3.49Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 3.16Å
372T96.1Very high94.1Very high0 Ų021.9 Ų21.90%010%0.099CC..G310 helixtrans-60.3-18.5171.2630000112.6G308 R309 L311 I374 Q375 Y422 D426G308-T372 VanDerWaalsContact CA-OG1 3.24Å; G308-T372 WeakPolarHBondContact CA-OG1 3.29Å; R309-T372 PolarHBondContact N-OG1 2.59Å; R309-T372 PolarHBondContact O-N 3.27Å; R309-T372 PolarHBondContact O-OG1 3.09Å; L311-T372 HydrophobicContact CD2-CG2 3.85Å; L311-T372 HydrophobicContact CG-CG2 4.4Å; T372-I374 PolarHBondContact O-N 2.73Å; T372-Q375 VanDerWaalsContact O-CB 3.29Å; T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.34Å; T372-Q375 PolarHBondContact O-N 3.07Å; T372-Q375 VanDerWaalsContact O-N 3.16Å; T372-Q375 PolarHBondContact O-NE2 3.07Å; T372-Y422 HydrophobicContact CG2-CD1 4.27Å; T372-Y422 WeakPolarHBondContact CG2-O 3.5Å; T372-D426 HydrophobicContact CG2-CB 3.88Å; T372-D426 PolarHBondContact OG1-OD1 2.91Å
373A95.3Very high94.3Very high0 Ų018.9 Ų18.90%09%0.087CC..G310 helixtrans-62.4-22173.200000113.3M267 C303 D304 S371 Q375 E376M267-A373 HydrophobicContact SD-CB 4.5Å; C303-A373 VanDerWaalsContact CB-O 3.24Å; C303-A373 WeakPolarHBondContact CB-O 3.25Å; D304-A373 WeakPolarHBondContact O-CB 3.26Å; S371-A373 PolarHBondContact O-N 2.78Å; S371-A373 VanDerWaalsContact O-N 3.12Å; S371-A373 PolarHBondContact OG-N 3.45Å; A373-Q375 PolarHBondContact O-N 2.96Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; A373-E376 WeakPolarHBondContact O-CB 3.15Å; A373-E376 PolarHBondContact O-N 3.32Å
374I95.5Very high94.4Very high0 Ų020.8 Ų20.80%010%0.096CC..G310 helixtrans-58.8-22.1174.9-163.167.6000112.2C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422C201-I374 HydrophobicContact CB-CD1 3.96Å; F265-I374 HydrophobicContact CB-CG1 4.14Å; M267-I374 HydrophobicContact CG-CB 4.49Å; M267-I374 HydrophobicContact CG-CD1 3.72Å; A301-I374 HydrophobicContact CB-CD1 4.19Å; S371-I374 WeakPolarHBondContact O-CB 3.49Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 3.16Å; T372-I374 PolarHBondContact O-N 2.73Å; I374-E376 PolarHBondContact O-N 2.89Å; I374-E376 VanDerWaalsContact O-N 3.13Å; I374-L377 HydrophobicContact CD1-CB 4.39Å; I374-L377 HydrophobicContact CD1-CD1 4.44Å; I374-L377 VanDerWaalsContact O-CB 3.3Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 3.11Å; I374-F378 HydrophobicContact CG1-CE2 4.02Å; I374-F378 HydrophobicContact CG1-CZ 4.13Å; I374-F378 HydrophobicContact CG2-CE2 3.95Å; I374-Y422 HydrophobicContact CG2-CD1 4.2Å; I374-Y422 HydrophobicContact CG2-CD2 4.22Å; I374-Y422 HydrophobicContact CG2-CE1 3.66Å; I374-Y422 HydrophobicContact CG2-CE2 3.71Å; I374-Y422 HydrophobicContact CG2-CG 4.45Å
375Q94.1Very high94.4Very high23 Ų2320.8 Ų20.811%0.10710%0.096CC..Hα-helixtrans-56.1-28.8174.481.2-179.6-79.400113T372 A373 L377 F378 K379 L419T372-Q375 VanDerWaalsContact O-CB 3.29Å; T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.34Å; T372-Q375 PolarHBondContact O-N 3.07Å; T372-Q375 VanDerWaalsContact O-N 3.16Å; T372-Q375 PolarHBondContact O-NE2 3.07Å; A373-Q375 PolarHBondContact O-N 2.96Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-L377 PolarHBondContact O-N 3.23Å; Q375-F378 PolarHBondContact O-N 3.47Å; Q375-K379 VanDerWaalsContact O-CB 3.24Å; Q375-K379 WeakPolarHBondContact O-CB 3.36Å; Q375-K379 PolarHBondContact O-N 3.09Å; Q375-L419 HydrophobicContact CB-CD2 3.69Å; Q375-L419 VanDerWaalsContact O-CD2 3.23Å; Q375-L419 WeakPolarHBondContact O-CD2 3.28Å
376E93.3Very high94.4Very high64 Ų6423.5 Ų23.530%0.29911%0.113SC..Hα-helixtrans-61-35.9177.1-66.1-169.914300111.5C303 D304 H307 A373 I374 R380C303-E376 VanDerWaalsContact CA-OE2 3.24Å; C303-E376 WeakPolarHBondContact CA-OE2 3.38Å; C303-E376 HydrophobicContact CB-CB 3.95Å; C303-E376 HydrophobicContact CB-CG 4.49Å; C303-E376 WeakPolarHBondContact CB-OE2 3.46Å; D304-E376 PolarHBondContact N-OE2 3.38Å; H307-E376 WeakPolarHBondContact CB-OE1 3.48Å; H307-E376 IonicContact CE1-OE1 2.86Å; H307-E376 IonicContact CG-OE1 3.95Å; H307-E376 IonicContact ND1-OE1 2.85Å; H307-E376 PolarHBondContact ND1-OE1 3.13Å; H307-E376 IonicContact ND1-OE2 3.15Å; A373-E376 WeakPolarHBondContact O-CB 3.15Å; A373-E376 PolarHBondContact O-N 3.32Å; I374-E376 PolarHBondContact O-N 2.89Å; I374-E376 VanDerWaalsContact O-N 3.13Å; E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 PolarHBondContact O-N 3.14Å
377L93.1Very high94.4Very high3 Ų325.9 Ų25.92%0.01613%0.133CC..Hα-helixtrans-68.3-46.4178.3-177.1141.8000111V170 D203 A301 I374 Q375 R380 V381V170-L377 HydrophobicContact CB-CD1 4.14Å; V170-L377 HydrophobicContact CB-CD2 4.43Å; V170-L377 HydrophobicContact CG1-CD1 3.98Å; V170-L377 HydrophobicContact CG1-CD2 3.76Å; V170-L377 HydrophobicContact CG1-CG 3.93Å; V170-L377 HydrophobicContact CG2-CD1 3.94Å; V170-L377 HydrophobicContact CG2-CD2 3.93Å; V170-L377 HydrophobicContact CG2-CG 4.45Å; D203-L377 HydrophobicContact CB-CD1 4.35Å; A301-L377 HydrophobicContact CB-CD1 4.43Å; I374-L377 HydrophobicContact CD1-CB 4.39Å; I374-L377 HydrophobicContact CD1-CD1 4.44Å; I374-L377 VanDerWaalsContact O-CB 3.3Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 3.11Å; Q375-L377 PolarHBondContact O-N 3.23Å; L377-R380 PolarHBondContact O-N 2.84Å; L377-V381 WeakPolarHBondContact O-CG2 3.34Å; L377-V381 PolarHBondContact O-N 2.84Å
378F94.6Very high94.4Very high2 Ų227.3 Ų27.31%0.00914%0.139CC..Hα-helixtrans-66.7-41177.3-58.4-46000111.9V189 F265 I374 Q375 R380 V381 S382 M415 L418 L419 Y422V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 4.05Å; V189-F378 HydrophobicContact CG2-CD1 4.29Å; V189-F378 HydrophobicContact CG2-CE1 4.11Å; F265-F378 HydrophobicContact CB-CE2 4.43Å; F265-F378 HydrophobicContact CB-CZ 3.97Å; F265-F378 HydrophobicContact CD1-CE1 4.28Å; F265-F378 AromaticContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD2-CE2 4.22Å; F265-F378 AromaticContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CD2-CZ 3.84Å; F265-F378 HydrophobicContact CE1-CE1 4.39Å; F265-F378 HydrophobicContact CE1-CZ 4.07Å; F265-F378 HydrophobicContact CE2-CZ 4.24Å; F265-F378 HydrophobicContact CG-CE2 4.22Å; F265-F378 AromaticContact CG-CZ 3.55Å; F265-F378 HydrophobicContact CG-CZ 3.55Å; F265-F378 HydrophobicContact CZ-CZ 4.34Å; I374-F378 HydrophobicContact CG1-CE2 4.02Å; I374-F378 HydrophobicContact CG1-CZ 4.13Å; I374-F378 HydrophobicContact CG2-CE2 3.95Å; Q375-F378 PolarHBondContact O-N 3.47Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.42Å; F378-V381 PolarHBondContact O-N 2.86Å; F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.43Å; F378-S382 PolarHBondContact O-N 2.88Å; F378-M415 HydrophobicContact CB-CG 4.37Å; F378-L418 HydrophobicContact CD2-CD2 3.86Å; F378-L418 HydrophobicContact CE2-CD2 3.7Å; F378-L418 HydrophobicContact CE2-CG 4.49Å; F378-L418 HydrophobicContact CG-CD2 4.35Å; F378-L418 HydrophobicContact CZ-CD2 4.07Å; F378-L419 HydrophobicContact CB-CD2 3.72Å; F378-L419 HydrophobicContact CB-CG 4.21Å; F378-Y422 HydrophobicContact CD2-CE2 4.43Å; F378-Y422 HydrophobicContact CE2-CD2 4.43Å; F378-Y422 AromaticContact CE2-CE2 3.85Å; F378-Y422 HydrophobicContact CE2-CE2 3.85Å
379K94Very high94.4Very high104 Ų10428.6 Ų28.645%0.45215%0.145SC..Hα-helixtrans-59.7-42.9175.8-176.3174.7179176.30111.5Q375 V381 S382 E383 L419Q375-K379 VanDerWaalsContact O-CB 3.24Å; Q375-K379 WeakPolarHBondContact O-CB 3.36Å; Q375-K379 PolarHBondContact O-N 3.09Å; K379-V381 PolarHBondContact O-N 2.85Å; K379-S382 PolarHBondContact O-N 2.84Å; K379-E383 WeakPolarHBondContact CE-OE1 3.47Å; K379-E383 HydrophobicContact CG-CG 4.39Å; K379-E383 WeakPolarHBondContact O-CB 3.36Å; K379-E383 WeakPolarHBondContact O-CG 3.22Å; K379-E383 PolarHBondContact O-N 3.34Å; K379-L419 HydrophobicContact CB-CD1 4.43Å; K379-L419 HydrophobicContact CB-CD2 4.25Å
380R92.7Very high94.4Very high42 Ų4239.3 Ų39.316%0.15819%0.185CC..Hα-helixtrans-60.8-43176.6-173.7-17567.9-167.9-9.9112.1P171 D203 E205 E376 L377 F378 Q384P171-R380 PolarHBondContact O-NH2 2.93Å; D203-R380 IonicContact OD1-NH1 2.64Å; D203-R380 IonicContact OD2-CZ 2.99Å; D203-R380 VanDerWaalsContact OD2-CZ 3.26Å; D203-R380 IonicContact OD2-NH1 3.55Å; D203-R380 PolarHBondContact OD2-NH1 2.77Å; D203-R380 IonicContact OD2-NH2 2.56Å; D203-R380 PolarHBondContact OD2-NH2 3.36Å; E205-R380 IonicContact OE2-NH1 3.94Å; E205-R380 PolarHBondContact OE2-NH1 2.9Å; E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 PolarHBondContact O-N 3.14Å; L377-R380 PolarHBondContact O-N 2.84Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.42Å; R380-Q384 WeakPolarHBondContact O-CG 3.4Å; R380-Q384 PolarHBondContact O-N 3.37Å
381V93Very high94.4Very high3 Ų349.2 Ų49.22%0.01822%0.223CC..Hα-helixtrans-67.2-46.5177173.90000110.5V170 A185 T186 L377 F378 K379 E383 Q384 F385 M415V170-V381 HydrophobicContact CG1-CG2 4.42Å; A185-V381 HydrophobicContact CB-CG1 3.69Å; A185-V381 HydrophobicContact CB-CG2 4.36Å; T186-V381 WeakPolarHBondContact OG1-CG1 3.33Å; L377-V381 WeakPolarHBondContact O-CG2 3.34Å; L377-V381 PolarHBondContact O-N 2.84Å; F378-V381 PolarHBondContact O-N 2.86Å; K379-V381 PolarHBondContact O-N 2.85Å; V381-E383 PolarHBondContact O-N 3.46Å; V381-Q384 PolarHBondContact O-N 2.91Å; V381-F385 WeakPolarHBondContact O-CB 3.09Å; V381-F385 PolarHBondContact O-N 3.06Å; V381-M415 HydrophobicContact CG1-CE 4.16Å; V381-M415 HydrophobicContact CG1-SD 4.39Å
382S94Very high94.4Very high19 Ų1954.9 Ų54.913%0.13325%0.248CC..Hα-helixtrans-57.5-48.8178.3179.60000112.1F378 K379 Q384 F385 T386F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.43Å; F378-S382 PolarHBondContact O-N 2.88Å; K379-S382 PolarHBondContact O-N 2.84Å; S382-Q384 VanDerWaalsContact C-N 3.29Å; S382-Q384 PolarHBondContact O-N 3.3Å; S382-F385 WeakPolarHBondContact O-CB 3.26Å; S382-F385 PolarHBondContact O-N 3.07Å; S382-T386 PolarHBondContact O-N 3.28Å; S382-T386 PolarHBondContact O-OG1 3.07Å
383E93.8Very high94.3Very high117 Ų11756.3 Ų56.355%0.54726%0.259SS..Hα-helixtrans-59.6-39.1179.5-74.7175.2-177.300112.6K379 V381 A387K379-E383 WeakPolarHBondContact CE-OE1 3.47Å; K379-E383 HydrophobicContact CG-CG 4.39Å; K379-E383 WeakPolarHBondContact O-CB 3.36Å; K379-E383 WeakPolarHBondContact O-CG 3.22Å; K379-E383 PolarHBondContact O-N 3.34Å; V381-E383 PolarHBondContact O-N 3.46Å; E383-A387 WeakPolarHBondContact O-CB 3.48Å; E383-A387 PolarHBondContact O-N 3.16Å; E383-A387 VanDerWaalsContact O-N 3.14Å
384Q92.9Very high94.3Very high60 Ų6059.7 Ų59.728%0.2827%0.274SS..Hα-helixtrans-71.1-42.6177.3-68.1170.513.300111.6P182 R380 V381 S382 A387 M388P182-Q384 HydrophobicContact CB-CB 3.81Å; P182-Q384 HydrophobicContact CG-CB 3.7Å; R380-Q384 WeakPolarHBondContact O-CG 3.4Å; R380-Q384 PolarHBondContact O-N 3.37Å; V381-Q384 PolarHBondContact O-N 2.91Å; S382-Q384 VanDerWaalsContact C-N 3.29Å; S382-Q384 PolarHBondContact O-N 3.3Å; Q384-A387 PolarHBondContact O-N 3.2Å; Q384-M388 WeakPolarHBondContact O-CG 3.33Å; Q384-M388 PolarHBondContact O-N 3.27Å; Q384-M388 VanDerWaalsContact O-N 3.14Å
385F95Very high94.2Very high0 Ų060.1 Ų60.10%028%0.276CS..Hα-helixtrans-55.5-55.7173.7175.5-80.7000110.7P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.38Å; 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 3.57Å; Y183-F385 HydrophobicContact CD1-CE2 3.57Å; Y183-F385 HydrophobicContact CD1-CG 4.27Å; Y183-F385 HydrophobicContact CD1-CZ 4.44Å; Y183-F385 HydrophobicContact CE1-CD2 4.08Å; Y183-F385 HydrophobicContact CE1-CE2 4.1Å; T186-F385 VanDerWaalsContact CB-CD2 3.44Å; T186-F385 HydrophobicContact CG2-CD2 3.76Å; T186-F385 HydrophobicContact CG2-CE2 3.87Å; T186-F385 HydrophobicContact CG2-CG 4.2Å; T186-F385 HydrophobicContact CG2-CZ 4.4Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.44Å; V381-F385 WeakPolarHBondContact O-CB 3.09Å; V381-F385 PolarHBondContact O-N 3.06Å; S382-F385 WeakPolarHBondContact O-CB 3.26Å; S382-F385 PolarHBondContact O-N 3.07Å; F385-A387 VanDerWaalsContact C-N 3.28Å; F385-A387 PolarHBondContact O-N 3.38Å; F385-M388 PolarHBondContact O-N 3.14Å; F385-M388 VanDerWaalsContact O-N 3.07Å; F385-F389 HydrophobicContact CD1-CB 4.27Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.32Å; F385-F389 HydrophobicContact CE1-CG 4.05Å; F385-F389 HydrophobicContact CZ-CB 4.41Å; F385-F389 HydrophobicContact CZ-CD2 4.44Å; F385-F389 HydrophobicContact CZ-CG 4.33Å; F385-F389 WeakPolarHBondContact O-CB 3.5Å; F385-F389 PolarHBondContact O-N 3.27Å; F385-F408 AromaticContact CE2-CD1 3.76Å; F385-F408 HydrophobicContact CE2-CD1 3.76Å; F385-F408 HydrophobicContact CE2-CE1 4.47Å; F385-F408 HydrophobicContact CZ-CB 4.02Å; F385-F408 AromaticContact CZ-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CG 4.42Å; F385-F408 WeakPolarHBondContact CZ-O 3.45Å; F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 4.04Å; F385-E412 HydrophobicContact CE1-CB 3.64Å; F385-E412 HydrophobicContact CE1-CG 3.89Å; F385-E412 HydrophobicContact CZ-CB 4.23Å
386T95.9Very high94.2Very high56 Ų5664.8 Ų64.834%0.34430%0.298SS..Hα-helixtrans-59.4-40.5-177.9-52.90000111.2S382 M388 F389 R390 E412S382-T386 PolarHBondContact O-N 3.28Å; S382-T386 PolarHBondContact O-OG1 3.07Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.88Å; T386-F389 PolarHBondContact O-N 3.25Å; T386-R390 VanDerWaalsContact O-CB 3.22Å; T386-R390 WeakPolarHBondContact O-CB 3.33Å; T386-R390 PolarHBondContact O-N 2.86Å; T386-E412 WeakPolarHBondContact CB-OE1 3.36Å; T386-E412 PolarHBondContact OG1-OE1 3.08Å
387A93.9Very high94.3Very high51 Ų5167.4 Ų67.442%0.42131%0.305SS..Hα-helixtrans-62.2-37.7178.400000112.8E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.48Å; E383-A387 PolarHBondContact O-N 3.16Å; E383-A387 VanDerWaalsContact O-N 3.14Å; Q384-A387 PolarHBondContact O-N 3.2Å; F385-A387 VanDerWaalsContact C-N 3.28Å; F385-A387 PolarHBondContact O-N 3.38Å
388M94.2Very high94.5Very high29 Ų2967.2 Ų67.214%0.14330%0.304CS..Hα-helixtrans-76-47.5175.8-69.1179.961.400112V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.23Å; P182-M388 HydrophobicContact CB-SD 4.06Å; P182-M388 HydrophobicContact CG-SD 3.73Å; Y183-M388 HydrophobicContact CD2-CE 4.3Å; Y183-M388 HydrophobicContact CE1-CB 3.78Å; Y183-M388 HydrophobicContact CE2-CE 4.05Å; Y183-M388 PolarHBondContact OH-O 3.49Å; Q384-M388 WeakPolarHBondContact O-CG 3.33Å; Q384-M388 PolarHBondContact O-N 3.27Å; Q384-M388 VanDerWaalsContact O-N 3.14Å; F385-M388 PolarHBondContact O-N 3.14Å; F385-M388 VanDerWaalsContact O-N 3.07Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.88Å; M388-R390 PolarHBondContact O-N 3.28Å; M388-R391 CarbonylContact O-C 3.56Å; M388-R391 PolarHBondContact O-N 3.13Å; M388-K392 PolarHBondContact O-N 3.35Å; M388-A393 HydrophobicContact CB-CB 4.43Å; M388-A393 PolarHBondContact O-N 3.04Å; M388-A393 VanDerWaalsContact O-N 3.09Å; M388-F394 HydrophobicContact CE-CD2 3.83Å; M388-F394 HydrophobicContact CE-CE2 4.44Å
389F95.5Very high94.6Very high27 Ų2769.8 Ų69.812%0.11832%0.32CS..Hα-helixtrans-64-42.7-174.2-171-114.4000111.9Y183 F385 T386 R391 K392 L395 E405 F408 T409Y183-F389 HydrophobicContact CE1-CB 4.02Å; Y183-F389 HydrophobicContact CE1-CD2 4.45Å; Y183-F389 VanDerWaalsContact OH-CA 3.27Å; Y183-F389 WeakPolarHBondContact OH-CA 3.41Å; Y183-F389 PolarHBondContact OH-N 3.45Å; F385-F389 HydrophobicContact CD1-CB 4.27Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.32Å; F385-F389 HydrophobicContact CE1-CG 4.05Å; F385-F389 HydrophobicContact CZ-CB 4.41Å; F385-F389 HydrophobicContact CZ-CD2 4.44Å; F385-F389 HydrophobicContact CZ-CG 4.33Å; F385-F389 WeakPolarHBondContact O-CB 3.5Å; F385-F389 PolarHBondContact O-N 3.27Å; T386-F389 PolarHBondContact O-N 3.25Å; F389-R391 PolarHBondContact O-N 3.5Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.45Å; F389-K392 PolarHBondContact O-N 2.96Å; F389-L395 HydrophobicContact CD2-CD1 4.19Å; F389-L395 HydrophobicContact CE2-CD1 3.85Å; F389-L395 HydrophobicContact CE2-CD2 4.27Å; F389-E405 HydrophobicContact CE2-CG 4.09Å; F389-E405 HydrophobicContact CZ-CG 3.89Å; F389-F408 HydrophobicContact CD2-CB 4.11Å; F389-F408 HydrophobicContact CD2-CD1 4.2Å; F389-F408 HydrophobicContact CD2-CG 4.27Å; F389-F408 HydrophobicContact CE2-CB 3.49Å; F389-F408 VanDerWaalsContact CE2-CB 3.49Å; F389-F408 HydrophobicContact CE2-CD1 4.22Å; F389-F408 HydrophobicContact CE2-CD2 4.46Å; F389-F408 AromaticContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CZ-CB 3.83Å; F389-T409 HydrophobicContact CE1-CG2 3.76Å; F389-T409 HydrophobicContact CZ-CG2 3.88Å
390R95.2Very high94.6Very high225 Ų22567.8 Ų67.885%0.84933%0.329SS*.THydrogen-bonded Turntrans-57.6-29.4174.8-176.9176.6175-174.31.2113.2T386 M388T386-R390 VanDerWaalsContact O-CB 3.22Å; T386-R390 WeakPolarHBondContact O-CB 3.33Å; T386-R390 PolarHBondContact O-N 2.86Å; M388-R390 PolarHBondContact O-N 3.28Å
391R95.7Very high94.7Very high209 Ų20968.4 Ų68.479%0.78933%0.334SS*.THydrogen-bonded Turntrans-91.6-1177.5-63.3176.9-177.3175.43.2112.6M388 F389 A393M388-R391 CarbonylContact O-C 3.56Å; M388-R391 PolarHBondContact O-N 3.13Å; F389-R391 PolarHBondContact O-N 3.5Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 3.1Å; R391-A393 VanDerWaalsContact O-N 3.15Å
392K94Very high94.7Very high119 Ų11971.4 Ų71.452%0.51737%0.365SS..THydrogen-bonded Turntrans49.732.4-169.3-57.1-167.2175.6-122.90112.3M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 3.35Å; F389-K392 WeakPolarHBondContact O-CA 3.45Å; F389-K392 PolarHBondContact O-N 2.96Å; K392-F394 PolarHBondContact O-N 3.07Å; K392-L395 HydrophobicContact CB-CB 4.42Å; K392-L395 HydrophobicContact CB-CD2 4.2Å; K392-L395 HydrophobicContact CD-CD2 4.32Å; K392-L395 HydrophobicContact CG-CD2 4.19Å; K392-E405 IonicContact NZ-OE1 2.71Å; K392-E405 PolarHBondContact NZ-OE1 3.39Å; K392-E405 IonicContact NZ-OE2 3.16Å; K392-E405 PolarHBondContact NZ-OE2 2.8Å; K392-E405 VanDerWaalsContact NZ-OE2 3.16Å
393A94.3Very high94.7Very high29 Ų2970.8 Ų70.824%0.2436%0.36CS..THydrogen-bonded Turntrans-67129.2-178.400000109.1Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.43Å; Y183-A393 PolarHBondContact OH-O 2.99Å; M388-A393 HydrophobicContact CB-CB 4.43Å; M388-A393 PolarHBondContact O-N 3.04Å; M388-A393 VanDerWaalsContact O-N 3.09Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 3.1Å; R391-A393 VanDerWaalsContact O-N 3.15Å; A393-L395 PolarHBondContact O-N 3.41Å
394F95Very high94.8Very high72 Ų7269 Ų6932%0.31635%0.354SS..THydrogen-bonded Turntrans55.84.7-179.6-50.1-77.9000116.5V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.23Å; V179-F394 HydrophobicContact CB-CZ 4.34Å; V179-F394 HydrophobicContact CG2-CD2 4.37Å; V179-F394 HydrophobicContact CG2-CE1 4.09Å; V179-F394 HydrophobicContact CG2-CE2 3.87Å; V179-F394 HydrophobicContact CG2-CZ 3.72Å; V180-F394 HydrophobicContact CG1-CB 3.84Å; V180-F394 HydrophobicContact CG1-CD2 4.23Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; M388-F394 HydrophobicContact CE-CD2 3.83Å; M388-F394 HydrophobicContact CE-CE2 4.44Å; K392-F394 PolarHBondContact O-N 3.07Å; F394-H396 VanDerWaalsContact C-N 3.25Å; F394-H396 PolarHBondContact O-N 3.14Å; F394-W397 HydrophobicContact CB-CD2 4.45Å; F394-W397 HydrophobicContact CD1-CD2 4.15Å; F394-W397 AromaticContact CD1-CE2 3.93Å; F394-W397 HydrophobicContact CD1-CE3 4.3Å; F394-W397 HydrophobicContact CD1-CH2 4.08Å; F394-W397 AromaticContact CD1-CZ2 3.91Å; F394-W397 HydrophobicContact CD1-CZ2 3.91Å; F394-W397 HydrophobicContact CD1-CZ3 4.27Å; F394-W397 HydrophobicContact CE1-CH2 4.25Å; F394-W397 HydrophobicContact CE1-CZ2 4.21Å; F394-W397 VanDerWaalsContact O-CB 3.28Å; F394-W397 WeakPolarHBondContact O-CB 3.37Å; F394-W397 PolarHBondContact O-N 3.17Å
395L93.9Very high94.8Very high9 Ų969.5 Ų69.55%0.04736%0.357CS..Hα-helixtrans-56.6-40.2-175.4-177.464.1000112.3F389 K392 A393 W397 Y398 T399 E405 F408F389-L395 HydrophobicContact CD2-CD1 4.19Å; F389-L395 HydrophobicContact CE2-CD1 3.85Å; F389-L395 HydrophobicContact CE2-CD2 4.27Å; K392-L395 HydrophobicContact CB-CB 4.42Å; K392-L395 HydrophobicContact CB-CD2 4.2Å; K392-L395 HydrophobicContact CD-CD2 4.32Å; K392-L395 HydrophobicContact CG-CD2 4.19Å; A393-L395 PolarHBondContact O-N 3.41Å; L395-W397 PolarHBondContact O-N 2.89Å; L395-W397 VanDerWaalsContact O-N 3.11Å; L395-Y398 PolarHBondContact O-N 3.4Å; L395-T399 HydrophobicContact CD1-CG2 4.38Å; L395-T399 HydrophobicContact CG-CG2 4.22Å; L395-T399 PolarHBondContact O-N 3.28Å; L395-T399 VanDerWaalsContact O-N 3.1Å; L395-E405 HydrophobicContact CD2-CG 4.04Å; L395-F408 HydrophobicContact CD1-CD1 4.36Å; L395-F408 HydrophobicContact CD1-CD2 3.81Å; L395-F408 HydrophobicContact CD1-CE1 4.19Å; L395-F408 HydrophobicContact CD1-CE2 3.6Å; L395-F408 HydrophobicContact CD1-CG 4.19Å; L395-F408 HydrophobicContact CD1-CZ 3.81Å
396H94.5Very high94.8Very high120 Ų12074.9 Ų74.956%0.55638%0.383SS*.Hα-helixtrans-60.2-18.6176.467.2-72.1000114.7F394 Y398 T399 G400F394-H396 VanDerWaalsContact C-N 3.25Å; F394-H396 PolarHBondContact O-N 3.14Å; H396-Y398 VanDerWaalsContact C-N 3.29Å; H396-T399 WeakPolarHBondContact CA-OG1 3.36Å; H396-G400 PolarHBondContact O-N 2.81Å; H396-G400 VanDerWaalsContact O-N 3.08Å
397W94.9Very high94.9Very high119 Ų11974.3 Ų74.345%0.45138%0.376SS..Hα-helixtrans-73.3-26.1174.1-669.6000111.5N100 V180 F394 L395 E401N100-W397 VanDerWaalsContact ND2-C 3.3Å; N100-W397 PolarHBondContact ND2-O 3.06Å; V180-W397 HydrophobicContact CG1-CE3 4.33Å; F394-W397 HydrophobicContact CB-CD2 4.45Å; F394-W397 HydrophobicContact CD1-CD2 4.15Å; F394-W397 AromaticContact CD1-CE2 3.93Å; F394-W397 HydrophobicContact CD1-CE3 4.3Å; F394-W397 HydrophobicContact CD1-CH2 4.08Å; F394-W397 AromaticContact CD1-CZ2 3.91Å; F394-W397 HydrophobicContact CD1-CZ2 3.91Å; F394-W397 HydrophobicContact CD1-CZ3 4.27Å; F394-W397 HydrophobicContact CE1-CH2 4.25Å; F394-W397 HydrophobicContact CE1-CZ2 4.21Å; F394-W397 VanDerWaalsContact O-CB 3.28Å; F394-W397 WeakPolarHBondContact O-CB 3.37Å; F394-W397 PolarHBondContact O-N 3.17Å; L395-W397 PolarHBondContact O-N 2.89Å; L395-W397 VanDerWaalsContact O-N 3.11Å; W397-E401 WeakPolarHBondContact O-CG 3.46Å
398Y97.5Very high95Very high0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-92.6-46.1179.5-68.9-109.3000110.4W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408W101-Y398 HydrophobicContact CB-CE1 4.03Å; A102-Y398 HydrophobicContact CB-CD1 3.73Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; V180-Y398 HydrophobicContact CB-CE2 4.2Å; V180-Y398 VanDerWaalsContact CB-OH 3.27Å; V180-Y398 WeakPolarHBondContact CB-OH 3.5Å; V180-Y398 HydrophobicContact CG1-CE2 4.32Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.15Å; V180-Y398 PolarHBondContact O-OH 2.67Å; Y183-Y398 HydrophobicContact CD2-CD2 4.14Å; Y183-Y398 AromaticContact CD2-CE2 3.62Å; Y183-Y398 HydrophobicContact CD2-CE2 3.62Å; Y183-Y398 AromaticContact CD2-CZ 3.97Å; Y183-Y398 HydrophobicContact CE2-CE2 4.46Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; N184-Y398 PolarHBondContact OD1-OH 3Å; L187-Y398 HydrophobicContact CD1-CD1 4.18Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L395-Y398 PolarHBondContact O-N 3.4Å; H396-Y398 VanDerWaalsContact C-N 3.29Å; Y398-G400 PolarHBondContact O-N 3.03Å; Y398-E401 WeakPolarHBondContact O-CB 3.47Å; Y398-E401 PolarHBondContact O-N 3.48Å; Y398-M403 HydrophobicContact CD1-SD 4.16Å; Y398-M403 WeakPolarHBondContact O-CB 3.37Å; Y398-F408 VanDerWaalsContact CB-CZ 3.49Å; Y398-F408 HydrophobicContact CD1-CE1 4.39Å; Y398-F408 AromaticContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD2-CZ 4.19Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.42Å; Y398-F408 HydrophobicContact CG-CE2 4.41Å; Y398-F408 AromaticContact CG-CZ 3.55Å; Y398-F408 HydrophobicContact CG-CZ 3.55Å
399T95.9Very high95.1Very high55 Ų5573.5 Ų73.534%0.33737%0.368SS..Hα-helixtrans-67.3-25.6177.965.40000112.6L395 H396 E401 G402 M403L395-T399 HydrophobicContact CD1-CG2 4.38Å; L395-T399 HydrophobicContact CG-CG2 4.22Å; L395-T399 PolarHBondContact O-N 3.28Å; L395-T399 VanDerWaalsContact O-N 3.1Å; H396-T399 WeakPolarHBondContact CA-OG1 3.36Å; T399-E401 PolarHBondContact O-N 3.38Å; T399-G402 PolarHBondContact O-N 2.85Å; T399-G402 VanDerWaalsContact O-N 3.14Å; T399-M403 WeakPolarHBondContact CA-O 3.41Å
400G94.9Very high95.1Very high62 Ų6277.5 Ų77.564%0.63939%0.387SS*.THydrogen-bonded Turntrans-63.6-22.2170.700000114.2H396 Y398 G402H396-G400 PolarHBondContact O-N 2.81Å; H396-G400 VanDerWaalsContact O-N 3.08Å; Y398-G400 PolarHBondContact O-N 3.03Å; G400-G402 VanDerWaalsContact C-N 3.32Å
401E95Very high95.2Very high56 Ų5666.8 Ų66.826%0.26235%0.346SS..THydrogen-bonded Turntrans-90.65.2176.3-57.1-66.6146.700112.4A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 4Å; A102-E401 HydrophobicContact CB-CG 4.42Å; K103-E401 HydrophobicContact CB-CG 4.1Å; T107-E401 HydrophobicContact CG2-CB 4.25Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.33Å; T107-E401 PolarHBondContact OG1-OE2 3.35Å; W397-E401 WeakPolarHBondContact O-CG 3.46Å; Y398-E401 WeakPolarHBondContact O-CB 3.47Å; Y398-E401 PolarHBondContact O-N 3.48Å; T399-E401 PolarHBondContact O-N 3.38Å
402G92Very high95.3Very high65 Ų6558.9 Ų58.967%0.6732%0.319SS*.THydrogen-bonded Turntrans97.51.2177.400000115.5T399 G400T399-G402 PolarHBondContact O-N 2.85Å; T399-G402 VanDerWaalsContact O-N 3.14Å; G400-G402 VanDerWaalsContact C-N 3.32Å
403M95.5Very high95.4Very high6 Ų656.2 Ų56.23%0.0332%0.315CS..  trans-72.8140.4176.3-173.2178.2176.800112.2W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.18Å; W101-M403 HydrophobicContact CZ3-CE 4.14Å; W101-M403 HydrophobicContact CZ3-SD 3.97Å; A102-M403 HydrophobicContact CB-CB 4.12Å; A102-M403 HydrophobicContact CB-SD 3.94Å; Y106-M403 HydrophobicContact CD2-CB 4.02Å; Y106-M403 HydrophobicContact CD2-CG 4.46Å; Y106-M403 HydrophobicContact CE2-CB 3.82Å; Y106-M403 HydrophobicContact CE2-CG 3.8Å; Y106-M403 HydrophobicContact CE2-SD 4.36Å; L187-M403 HydrophobicContact CD1-CE 3.71Å; L187-M403 HydrophobicContact CD1-SD 4.15Å; L187-M403 HydrophobicContact CD2-CE 3.41Å; L187-M403 VanDerWaalsContact CD2-CE 3.41Å; L187-M403 HydrophobicContact CG-CE 4.21Å; Y398-M403 HydrophobicContact CD1-SD 4.16Å; Y398-M403 WeakPolarHBondContact O-CB 3.37Å; T399-M403 WeakPolarHBondContact CA-O 3.41Å; M403-E407 HydrophobicContact CE-CB 3.56Å; M403-E407 HydrophobicContact CG-CB 4.41Å; M403-F408 HydrophobicContact CE-CD2 3.64Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.25Å; M403-F408 HydrophobicContact CE-CZ 3.93Å; M403-F408 HydrophobicContact CG-CE2 4.21Å; M403-F408 HydrophobicContact SD-CD2 4.26Å; M403-F408 HydrophobicContact SD-CE2 3.49Å; M403-F408 WeakPolarHBondContact SD-CE2 3.21Å; M403-F408 HydrophobicContact SD-CZ 3.84Å
404D95.2Very high95.6Very high79 Ų7955.5 Ų55.542%0.42231%0.307SS..  trans-82.6146.7175.1-160.8-58.2000111.6M406 E407D404-M406 PolarHBondContact O-N 2.87Å; D404-M406 WeakPolarHBondContact OD1-CB 3.34Å; D404-M406 WeakPolarHBondContact OD1-CG 3.46Å; D404-M406 PolarHBondContact OD1-N 3.02Å; D404-E407 HydrophobicContact CB-CG 4.28Å; D404-E407 PolarHBondContact N-OE1 3.41Å; D404-E407 PolarHBondContact O-N 2.7Å
405E93.3Very high95.6Very high72 Ų7252.2 Ų52.234%0.33629%0.292SS..Hα-helixtrans-64.8-26.1174.2-172.3172.2173.700111.5F389 K392 L395 E407 F408F389-E405 HydrophobicContact CE2-CG 4.09Å; F389-E405 HydrophobicContact CZ-CG 3.89Å; K392-E405 IonicContact NZ-OE1 2.71Å; K392-E405 PolarHBondContact NZ-OE1 3.39Å; K392-E405 IonicContact NZ-OE2 3.16Å; K392-E405 PolarHBondContact NZ-OE2 2.8Å; K392-E405 VanDerWaalsContact NZ-OE2 3.16Å; L395-E405 HydrophobicContact CD2-CG 4.04Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 2.92Å; E405-F408 WeakPolarHBondContact O-CB 3.27Å; E405-F408 PolarHBondContact O-N 2.88Å
406M95.4Very high95.7Very high113 Ų11355 Ų5556%0.55731%0.313SS*.Hα-helixtrans-63-34.6175.9-67.3-171.9-6200112.5D404 F408 T409 E410D404-M406 PolarHBondContact O-N 2.87Å; D404-M406 WeakPolarHBondContact OD1-CB 3.34Å; D404-M406 WeakPolarHBondContact OD1-CG 3.46Å; D404-M406 PolarHBondContact OD1-N 3.02Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 2.64Å; M406-T409 WeakPolarHBondContact CA-OG1 3.34Å; M406-T409 PolarHBondContact O-N 2.9Å; M406-T409 PolarHBondContact O-OG1 3.36Å; M406-E410 WeakPolarHBondContact O-CG 3.15Å; M406-E410 PolarHBondContact O-N 3.1Å
407E96.7Very high95.8Very high44 Ų4452.8 Ų52.821%0.20631%0.305CS..Hα-helixtrans-63.1-32.7178.7-64.2175.3-123.200112.2Y106 M403 D404 E405 T409 E410 A411Y106-E407 VanDerWaalsContact OH-CD 3.28Å; Y106-E407 PolarHBondContact OH-OE2 3.41Å; M403-E407 HydrophobicContact CE-CB 3.56Å; M403-E407 HydrophobicContact CG-CB 4.41Å; D404-E407 HydrophobicContact CB-CG 4.28Å; D404-E407 PolarHBondContact N-OE1 3.41Å; D404-E407 PolarHBondContact O-N 2.7Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 2.92Å; E407-T409 VanDerWaalsContact C-N 3.34Å; E407-E410 PolarHBondContact O-N 3.19Å; E407-A411 WeakPolarHBondContact O-CB 3.28Å; E407-A411 PolarHBondContact O-N 3.48Å
408F96.5Very high95.9Very high0 Ų047.1 Ų47.10%028%0.284CS..Hα-helixtrans-62.8-43.7172.4-77.4-91.7000111.5Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412Y183-F408 HydrophobicContact CD1-CD1 4.36Å; Y183-F408 HydrophobicContact CD1-CE1 4.09Å; Y183-F408 HydrophobicContact CD2-CE1 4.03Å; Y183-F408 HydrophobicContact CE1-CE1 4.49Å; Y183-F408 HydrophobicContact CE2-CE1 4.43Å; Y183-F408 AromaticContact CG-CE1 3.84Å; Y183-F408 HydrophobicContact CG-CE1 3.84Å; L187-F408 HydrophobicContact CD1-CE1 4.1Å; L187-F408 HydrophobicContact CD1-CZ 4.31Å; F385-F408 AromaticContact CE2-CD1 3.76Å; F385-F408 HydrophobicContact CE2-CD1 3.76Å; F385-F408 HydrophobicContact CE2-CE1 4.47Å; F385-F408 HydrophobicContact CZ-CB 4.02Å; F385-F408 AromaticContact CZ-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CG 4.42Å; F385-F408 WeakPolarHBondContact CZ-O 3.45Å; F389-F408 HydrophobicContact CD2-CB 4.11Å; F389-F408 HydrophobicContact CD2-CD1 4.2Å; F389-F408 HydrophobicContact CD2-CG 4.27Å; F389-F408 HydrophobicContact CE2-CB 3.49Å; F389-F408 VanDerWaalsContact CE2-CB 3.49Å; F389-F408 HydrophobicContact CE2-CD1 4.22Å; F389-F408 HydrophobicContact CE2-CD2 4.46Å; F389-F408 AromaticContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CZ-CB 3.83Å; L395-F408 HydrophobicContact CD1-CD1 4.36Å; L395-F408 HydrophobicContact CD1-CD2 3.81Å; L395-F408 HydrophobicContact CD1-CE1 4.19Å; L395-F408 HydrophobicContact CD1-CE2 3.6Å; L395-F408 HydrophobicContact CD1-CG 4.19Å; L395-F408 HydrophobicContact CD1-CZ 3.81Å; Y398-F408 VanDerWaalsContact CB-CZ 3.49Å; Y398-F408 HydrophobicContact CD1-CE1 4.39Å; Y398-F408 AromaticContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD2-CZ 4.19Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.42Å; Y398-F408 HydrophobicContact CG-CE2 4.41Å; Y398-F408 AromaticContact CG-CZ 3.55Å; Y398-F408 HydrophobicContact CG-CZ 3.55Å; M403-F408 HydrophobicContact CE-CD2 3.64Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.25Å; M403-F408 HydrophobicContact CE-CZ 3.93Å; M403-F408 HydrophobicContact CG-CE2 4.21Å; M403-F408 HydrophobicContact SD-CD2 4.26Å; M403-F408 HydrophobicContact SD-CE2 3.49Å; M403-F408 WeakPolarHBondContact SD-CE2 3.21Å; M403-F408 HydrophobicContact SD-CZ 3.84Å; E405-F408 WeakPolarHBondContact O-CB 3.27Å; E405-F408 PolarHBondContact O-N 2.88Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 2.64Å; F408-A411 PolarHBondContact O-N 3.11Å; F408-E412 WeakPolarHBondContact O-CB 3.49Å; F408-E412 PolarHBondContact O-N 3.31Å
409T95.7Very high95.8Very high63 Ų6348 Ų4839%0.38729%0.288SS..Hα-helixtrans-70-35.6-179.756.90000112.2F389 M406 E407 S413F389-T409 HydrophobicContact CE1-CG2 3.76Å; F389-T409 HydrophobicContact CZ-CG2 3.88Å; M406-T409 WeakPolarHBondContact CA-OG1 3.34Å; M406-T409 PolarHBondContact O-N 2.9Å; M406-T409 PolarHBondContact O-OG1 3.36Å; E407-T409 VanDerWaalsContact C-N 3.34Å; T409-S413 WeakPolarHBondContact O-CB 3.39Å; T409-S413 PolarHBondContact O-N 2.96Å
410E97.2Very high95.7Very high110 Ų11047.9 Ų47.951%0.51429%0.289SS..Hα-helixtrans-65.4-45.2174.3-71.5175.7-178.900111.1M406 E407 E412 S413 N414M406-E410 WeakPolarHBondContact O-CG 3.15Å; M406-E410 PolarHBondContact O-N 3.1Å; E407-E410 PolarHBondContact O-N 3.19Å; E410-E412 PolarHBondContact O-N 2.87Å; E410-S413 PolarHBondContact O-N 2.99Å; E410-N414 WeakPolarHBondContact O-CB 3.35Å; E410-N414 PolarHBondContact O-N 3.32Å
411A97.2Very high95.7Very high0 Ų047.2 Ų47.20%027%0.269CS..Hα-helixtrans-64.2-40.2176.900000112.7T186 L187 H190 E407 F408 M415T186-A411 HydrophobicContact CG2-CB 4.08Å; L187-A411 HydrophobicContact CD2-CB 3.74Å; H190-A411 HydrophobicContact CB-CB 3.75Å; E407-A411 WeakPolarHBondContact O-CB 3.28Å; E407-A411 PolarHBondContact O-N 3.48Å; F408-A411 PolarHBondContact O-N 3.11Å; A411-M415 WeakPolarHBondContact O-CB 3.44Å; A411-M415 PolarHBondContact O-N 3.07Å
412E96.5Very high95.7Very high44 Ų4444.6 Ų44.621%0.20626%0.257CS..Hα-helixtrans-63.5-43.9173.5-172.9175.8-142.900111.5F385 T386 F408 E410 M415 S416F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 4.04Å; F385-E412 HydrophobicContact CE1-CB 3.64Å; F385-E412 HydrophobicContact CE1-CG 3.89Å; F385-E412 HydrophobicContact CZ-CB 4.23Å; T386-E412 WeakPolarHBondContact CB-OE1 3.36Å; T386-E412 PolarHBondContact OG1-OE1 3.08Å; F408-E412 WeakPolarHBondContact O-CB 3.49Å; F408-E412 PolarHBondContact O-N 3.31Å; E410-E412 PolarHBondContact O-N 2.87Å; E412-M415 PolarHBondContact O-N 3.17Å; E412-S416 PolarHBondContact O-N 3.22Å
413S97.1Very high95.7Very high62 Ų6245.7 Ų45.743%0.43425%0.245SC..Hα-helixtrans-62-48.9176.9-167.60000111.4T409 E410 M415 S416 D417T409-S413 WeakPolarHBondContact O-CB 3.39Å; T409-S413 PolarHBondContact O-N 2.96Å; E410-S413 PolarHBondContact O-N 2.99Å; S413-M415 VanDerWaalsContact C-N 3.3Å; S413-M415 PolarHBondContact O-N 2.99Å; S413-S416 CarbonylContact O-C 3.59Å; S413-S416 WeakPolarHBondContact O-CA 3.47Å; S413-S416 WeakPolarHBondContact O-CB 3.33Å; S413-S416 PolarHBondContact O-N 3.43Å; S413-D417 VanDerWaalsContact O-CG 3.28Å; S413-D417 PolarHBondContact O-N 3.06Å
414N97.1Very high95.5Very high15 Ų1551.4 Ų51.48%0.0827%0.271CS..Hα-helixtrans-61.5-39.9179.6-173.2-13.2000111.1H190 E194 R262 E410 S416 D417 L418H190-N414 PolarHBondContact CE1-ND2 2.82Å; H190-N414 PolarHBondContact ND1-ND2 2.87Å; E194-N414 PolarHBondContact OE1-ND2 3.29Å; R262-N414 PolarHBondContact NH2-OD1 2.51Å; E410-N414 WeakPolarHBondContact O-CB 3.35Å; E410-N414 PolarHBondContact O-N 3.32Å; N414-S416 PolarHBondContact O-N 3.15Å; N414-D417 PolarHBondContact O-N 3.11Å; N414-L418 WeakPolarHBondContact O-CB 3.49Å; N414-L418 PolarHBondContact O-N 3.46Å
415M95.7Very high95.1Very high2 Ų248.3 Ų48.31%0.0126%0.255CS..Hα-helixtrans-64.1-39173.2-176.9172.3-72.800112.5T186 V189 F378 V381 A411 E412 S413 L418 L419T186-M415 HydrophobicContact CG2-CE 3.93Å; T186-M415 HydrophobicContact CG2-SD 4.24Å; V189-M415 HydrophobicContact CB-CE 3.65Å; V189-M415 HydrophobicContact CG1-CE 3.79Å; V189-M415 HydrophobicContact CG2-CE 4.01Å; F378-M415 HydrophobicContact CB-CG 4.37Å; V381-M415 HydrophobicContact CG1-CE 4.16Å; V381-M415 HydrophobicContact CG1-SD 4.39Å; A411-M415 WeakPolarHBondContact O-CB 3.44Å; A411-M415 PolarHBondContact O-N 3.07Å; E412-M415 PolarHBondContact O-N 3.17Å; S413-M415 VanDerWaalsContact C-N 3.3Å; S413-M415 PolarHBondContact O-N 2.99Å; M415-L418 PolarHBondContact O-N 3.47Å; M415-L419 WeakPolarHBondContact O-CG 3.42Å; M415-L419 PolarHBondContact O-N 3.05Å
416S96.2Very high94.6Very high67 Ų6746.6 Ų46.647%0.46925%0.248SC..Hα-helixtrans-65.4-39.5174.6-1740000112.1E412 S413 N414 L419 C420E412-S416 PolarHBondContact O-N 3.22Å; S413-S416 CarbonylContact O-C 3.59Å; S413-S416 WeakPolarHBondContact O-CA 3.47Å; S413-S416 WeakPolarHBondContact O-CB 3.33Å; S413-S416 PolarHBondContact O-N 3.43Å; N414-S416 PolarHBondContact O-N 3.15Å; S416-L419 WeakPolarHBondContact O-CB 3.22Å; S416-L419 PolarHBondContact O-N 3.19Å; S416-C420 PolarHBondContact O-N 3.09Å
417D97.1Very high93.7Very high75 Ų7545.5 Ų45.540%0.40125%0.251SS..Hα-helixtrans-65.5-44176.5-64.9-25.8000110.7S413 N414 L419 C420 E421S413-D417 VanDerWaalsContact O-CG 3.28Å; S413-D417 PolarHBondContact O-N 3.06Å; N414-D417 PolarHBondContact O-N 3.11Å; D417-L419 VanDerWaalsContact C-N 3.31Å; D417-L419 PolarHBondContact O-N 3.47Å; D417-C420 WeakPolarHBondContact O-CA 3.37Å; D417-C420 WeakPolarHBondContact O-CB 3.47Å; D417-C420 PolarHBondContact O-N 2.6Å; D417-C420 VanDerWaalsContact O-N 3.07Å; D417-E421 WeakPolarHBondContact O-CG 3.43Å; D417-E421 PolarHBondContact O-N 2.94Å
418L96Very high92.7Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-58.2-42.5174.3-177.770.2000111.9V189 V193 R262 L263 F265 F378 N414 M415 C420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.26Å; V193-L418 HydrophobicContact CG2-CD1 4.31Å; V193-L418 HydrophobicContact CG2-CD2 3.73Å; V193-L418 HydrophobicContact CG2-CG 4.5Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 WeakPolarHBondContact O-CD1 3.32Å; L263-L418 HydrophobicContact CD2-CD1 4.15Å; F265-L418 HydrophobicContact CD2-CD2 4.43Å; F265-L418 HydrophobicContact CE2-CD1 4.35Å; F265-L418 HydrophobicContact CE2-CD2 3.94Å; F265-L418 HydrophobicContact CZ-CD2 4.5Å; F378-L418 HydrophobicContact CD2-CD2 3.86Å; F378-L418 HydrophobicContact CE2-CD2 3.7Å; F378-L418 HydrophobicContact CE2-CG 4.49Å; F378-L418 HydrophobicContact CG-CD2 4.35Å; F378-L418 HydrophobicContact CZ-CD2 4.07Å; N414-L418 WeakPolarHBondContact O-CB 3.49Å; N414-L418 PolarHBondContact O-N 3.46Å; M415-L418 PolarHBondContact O-N 3.47Å; L418-C420 VanDerWaalsContact C-N 3.33Å; L418-E421 PolarHBondContact O-N 2.99Å; L418-Y422 HydrophobicContact CD1-CD2 4.24Å; L418-Y422 HydrophobicContact CD1-CE2 3.9Å; L418-Y422 HydrophobicContact CD2-CE2 4.5Å; L418-Y422 HydrophobicContact CG-CD2 4.11Å; L418-Y422 HydrophobicContact CG-CE2 4.02Å; L418-Y422 WeakPolarHBondContact O-CD2 3.47Å; L418-Y422 PolarHBondContact O-N 2.85Å; L418-Y422 VanDerWaalsContact O-N 3.1Å
419L95.1Very high91.2Very high18 Ų1847.1 Ų47.19%0.09427%0.266CS..Hα-helixtrans-60.9-43.2174.3-75.6172.5000111.6Q375 F378 K379 M415 S416 D417 Y422 Q423Q375-L419 HydrophobicContact CB-CD2 3.69Å; Q375-L419 VanDerWaalsContact O-CD2 3.23Å; Q375-L419 WeakPolarHBondContact O-CD2 3.28Å; F378-L419 HydrophobicContact CB-CD2 3.72Å; F378-L419 HydrophobicContact CB-CG 4.21Å; K379-L419 HydrophobicContact CB-CD1 4.43Å; K379-L419 HydrophobicContact CB-CD2 4.25Å; M415-L419 WeakPolarHBondContact O-CG 3.42Å; M415-L419 PolarHBondContact O-N 3.05Å; S416-L419 WeakPolarHBondContact O-CB 3.22Å; S416-L419 PolarHBondContact O-N 3.19Å; D417-L419 VanDerWaalsContact C-N 3.31Å; D417-L419 PolarHBondContact O-N 3.47Å; L419-Y422 PolarHBondContact O-N 3.21Å; L419-Q423 VanDerWaalsContact O-CG 3.26Å; L419-Q423 WeakPolarHBondContact O-CG 3.33Å; L419-Q423 PolarHBondContact O-N 3.32Å
420C95.3Very high89.4Confident52 Ų5246.8 Ų46.835%0.35127%0.269SS..Hα-helixtrans-62.9-44.1177.9-167.80000111.4S416 D417 L418 Y422 Q423 Q424S416-C420 PolarHBondContact O-N 3.09Å; D417-C420 WeakPolarHBondContact O-CA 3.37Å; D417-C420 WeakPolarHBondContact O-CB 3.47Å; D417-C420 PolarHBondContact O-N 2.6Å; D417-C420 VanDerWaalsContact O-N 3.07Å; L418-C420 VanDerWaalsContact C-N 3.33Å; C420-Y422 PolarHBondContact O-N 2.97Å; C420-Q423 WeakPolarHBondContact O-CB 3.46Å; C420-Q423 PolarHBondContact O-N 2.83Å; C420-Q423 VanDerWaalsContact O-N 3.13Å; C420-Q424 WeakPolarHBondContact O-CG 3.47Å; C420-Q424 PolarHBondContact O-N 3.48Å; C420-Q424 PolarHBondContact SG-NE2 3.27Å
421E94.9Very high87.4Confident49 Ų4949.7 Ų49.723%0.22928%0.283CS..Hα-helixtrans-58.8-49.2176.4-71.4176.9-168.800111.2R262 L263 D417 L418 Q423 Q424 T425R262-E421 WeakPolarHBondContact CB-OE2 3.46Å; R262-E421 WeakPolarHBondContact CD-OE1 3.49Å; R262-E421 WeakPolarHBondContact CD-OE2 3.33Å; R262-E421 IonicContact CZ-OE1 2.64Å; R262-E421 IonicContact CZ-OE2 3.15Å; R262-E421 IonicContact NE-OE1 3.31Å; R262-E421 PolarHBondContact NE-OE1 3.41Å; R262-E421 IonicContact NE-OE2 3.41Å; R262-E421 IonicContact NH1-OE1 3.71Å; R262-E421 PolarHBondContact NH1-OE1 3.32Å; L263-E421 HydrophobicContact CD2-CB 4.07Å; D417-E421 WeakPolarHBondContact O-CG 3.43Å; D417-E421 PolarHBondContact O-N 2.94Å; L418-E421 PolarHBondContact O-N 2.99Å; E421-Q423 VanDerWaalsContact C-N 3.26Å; E421-Q423 PolarHBondContact O-N 2.98Å; E421-Q424 PolarHBondContact O-N 2.83Å; E421-T425 PolarHBondContact O-N 3.04Å; E421-T425 PolarHBondContact O-OG1 3.5Å
422Y94.6Very high85.1Confident0 Ų055.2 Ų55.20%031%0.309CS..Hα-helixtrans-59.6-35.7175.4-85.6-64.9000113L263 L311 T372 I374 F378 L418 L419 C420 D426L263-Y422 WeakPolarHBondContact CA-OH 3.42Å; L263-Y422 HydrophobicContact CB-CE1 3.96Å; L263-Y422 HydrophobicContact CD1-CD1 4.17Å; L263-Y422 HydrophobicContact CD1-CE1 4.19Å; L263-Y422 HydrophobicContact CD2-CD1 3.91Å; L263-Y422 HydrophobicContact CD2-CD2 3.8Å; L263-Y422 HydrophobicContact CD2-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CE2 3.66Å; L263-Y422 HydrophobicContact CD2-CG 3.93Å; L263-Y422 HydrophobicContact CG-CD1 4.49Å; L263-Y422 HydrophobicContact CG-CE1 4.19Å; L311-Y422 HydrophobicContact CD1-CE1 4.46Å; T372-Y422 HydrophobicContact CG2-CD1 4.27Å; T372-Y422 WeakPolarHBondContact CG2-O 3.5Å; I374-Y422 HydrophobicContact CG2-CD1 4.2Å; I374-Y422 HydrophobicContact CG2-CD2 4.22Å; I374-Y422 HydrophobicContact CG2-CE1 3.66Å; I374-Y422 HydrophobicContact CG2-CE2 3.71Å; I374-Y422 HydrophobicContact CG2-CG 4.45Å; F378-Y422 HydrophobicContact CD2-CE2 4.43Å; F378-Y422 HydrophobicContact CE2-CD2 4.43Å; F378-Y422 AromaticContact CE2-CE2 3.85Å; F378-Y422 HydrophobicContact CE2-CE2 3.85Å; L418-Y422 HydrophobicContact CD1-CD2 4.24Å; L418-Y422 HydrophobicContact CD1-CE2 3.9Å; L418-Y422 HydrophobicContact CD2-CE2 4.5Å; L418-Y422 HydrophobicContact CG-CD2 4.11Å; L418-Y422 HydrophobicContact CG-CE2 4.02Å; L418-Y422 WeakPolarHBondContact O-CD2 3.47Å; L418-Y422 PolarHBondContact O-N 2.85Å; L418-Y422 VanDerWaalsContact O-N 3.1Å; L419-Y422 PolarHBondContact O-N 3.21Å; C420-Y422 PolarHBondContact O-N 2.97Å; Y422-D426 WeakPolarHBondContact O-CB 3.42Å; Y422-D426 PolarHBondContact O-N 3.3Å
423Q91.7Very high82.8Confident89 Ų8956.9 Ų56.942%0.41632%0.316SS..Hα-helixtrans-70.6-41.6177.4-75170.63.100112.6L419 C420 E421 T425 D426 C427L419-Q423 VanDerWaalsContact O-CG 3.26Å; L419-Q423 WeakPolarHBondContact O-CG 3.33Å; L419-Q423 PolarHBondContact O-N 3.32Å; C420-Q423 WeakPolarHBondContact O-CB 3.46Å; C420-Q423 PolarHBondContact O-N 2.83Å; C420-Q423 VanDerWaalsContact O-N 3.13Å; E421-Q423 VanDerWaalsContact C-N 3.26Å; E421-Q423 PolarHBondContact O-N 2.98Å; Q423-T425 VanDerWaalsContact C-N 3.34Å; Q423-D426 WeakPolarHBondContact O-CB 3.46Å; Q423-D426 PolarHBondContact O-N 3.43Å; Q423-C427 PolarHBondContact O-N 3.49Å; Q423-C427 VanDerWaalsContact O-N 3.16Å; Q423-C427 PolarHBondContact O-SG 2.9Å
424Q90.3Very high80.2Confident125 Ų12555.8 Ų55.858%0.58432%0.315SS*.Hα-helixtrans-61.3-46.9175.7-72.2173.1-0.200110.2C420 E421 D426 C427 A428C420-Q424 WeakPolarHBondContact O-CG 3.47Å; C420-Q424 PolarHBondContact O-N 3.48Å; C420-Q424 PolarHBondContact SG-NE2 3.27Å; E421-Q424 PolarHBondContact O-N 2.83Å; Q424-D426 VanDerWaalsContact C-N 3.28Å; Q424-D426 PolarHBondContact O-N 2.98Å; Q424-C427 PolarHBondContact O-N 3.02Å; Q424-A428 PolarHBondContact O-N 3.29Å
425T86.8Confident77.5Confident14 Ų1460.8 Ų60.89%0.08634%0.342CS..Hα-helixtrans-63.9-30.8177.3-51.40000113.1F260 L263 L311 W344 E421 Q423F260-T425 HydrophobicContact CE2-CG2 4.46Å; L263-T425 HydrophobicContact CD1-CG2 4.31Å; L311-T425 HydrophobicContact CD1-CG2 4.25Å; L311-T425 HydrophobicContact CD2-CG2 3.43Å; L311-T425 VanDerWaalsContact CD2-CG2 3.43Å; W344-T425 HydrophobicContact CH2-CG2 3.83Å; W344-T425 HydrophobicContact CZ2-CG2 3.34Å; E421-T425 PolarHBondContact O-N 3.04Å; E421-T425 PolarHBondContact O-OG1 3.5Å; Q423-T425 VanDerWaalsContact C-N 3.34Å
426D82.9Confident74.8Confident36 Ų3664.8 Ų64.819%0.19337%0.369CS..Hα-helixtrans-69.1-36.8175.9-161.947.8000112.6R309 T372 Y422 Q423 Q424R309-D426 WeakPolarHBondContact CG-OD1 3.37Å; R309-D426 PolarHBondContact N-OD1 3.49Å; T372-D426 HydrophobicContact CG2-CB 3.88Å; T372-D426 PolarHBondContact OG1-OD1 2.91Å; Y422-D426 WeakPolarHBondContact O-CB 3.42Å; Y422-D426 PolarHBondContact O-N 3.3Å; Q423-D426 WeakPolarHBondContact O-CB 3.46Å; Q423-D426 PolarHBondContact O-N 3.43Å; Q424-D426 VanDerWaalsContact C-N 3.28Å; Q424-D426 PolarHBondContact O-N 2.98Å
427C78.1Confident72.1Confident91 Ų9166.9 Ų66.962%0.61538%0.375SS*.Hα-helixtrans-82.5-23178.4-680000113.4Q423 Q424 T429Q423-C427 PolarHBondContact O-N 3.49Å; Q423-C427 VanDerWaalsContact O-N 3.16Å; Q423-C427 PolarHBondContact O-SG 2.9Å; Q424-C427 PolarHBondContact O-N 3.02Å; C427-T429 PolarHBondContact O-N 3.29Å
428A74.8Confident69.4Low17 Ų1770.1 Ų70.114%0.1439%0.388CS..  trans-55.2126-176.800000111.6Q424Q424-A428 PolarHBondContact O-N 3.29Å
429T65.6Low66.7Low61 Ų6178 Ų7837%0.37442%0.424SS..  trans-105.4156.3172.961.10000110.4C427 E431 E432C427-T429 PolarHBondContact O-N 3.29Å; T429-E431 PolarHBondContact O-N 3.14Å; T429-E431 VanDerWaalsContact O-N 3.07Å; T429-E432 PolarHBondContact N-OE2 2.65Å; T429-E432 PolarHBondContact O-N 2.88Å
430A58.4Low64.1Low56 Ų5684.7 Ų84.746%0.46346%0.455SS..Hα-helixtrans-61.9-17.9-178.300000113.8
431E53.4Low61.5Low170 Ų17088.1 Ų88.179%0.79447%0.47SS*.Hα-helixtrans-78.9-30176.2-66.2-178.3176.200112.2T429T429-E431 PolarHBondContact O-N 3.14Å; T429-E431 VanDerWaalsContact O-N 3.07Å
432E50.2Low59.1Low117 Ų11794.1 Ų94.155%0.54750%0.498SS..Hα-helixtrans-76.4-24.9-174.9-72.6173.9158.400113.8T429T429-E432 PolarHBondContact N-OE2 2.65Å; T429-E432 PolarHBondContact O-N 2.88Å
433E47.6Very low56.6Low78 Ų78101.9 Ų101.936%0.36454%0.54SS..Hα-helixtrans-80.8-25.8175.5-79.3-168.5164.700113.3D435 C436 D437E433-D435 PolarHBondContact O-N 3.16Å; E433-C436 PolarHBondContact O-N 2.71Å; E433-D437 PolarHBondContact O-N 3.41Å
434G42.4Very low54.1Low39 Ų39104.6 Ų104.640%0.40258%0.578SS.*Hα-helixtrans-61.1-29.3178.600000113.2
435D41.5Very low52.3Low120 Ų120103.6 Ų103.664%0.64258%0.577SS**Hα-helixtrans-79.4-22.4177.4-71.7-16000112.5E433E433-D435 PolarHBondContact O-N 3.16Å
436C37.5Very low50.5Low86 Ų86108.3 Ų108.358%0.58160%0.603SS**Hα-helixtrans-77-33.1177-70.30000112.7E433 E438E433-C436 PolarHBondContact O-N 2.71Å; C436-E438 VanDerWaalsContact C-N 3.33Å
437D40.9Very low48.7Very low111 Ų111112.3 Ų112.359%0.59463%0.626SS**Hα-helixtrans-75.3-20.7178.7-76.1-18.6000113.1E433 N441E433-D437 PolarHBondContact O-N 3.41Å; D437-N441 PolarHBondContact O-ND2 3.35Å
438E39.5Very low46.9Very low144 Ų144113.6 Ų113.667%0.67363%0.627SS**Hα-helixtrans-77.5-31.6175.9-73.5-164.4170.900112.5C436C436-E438 VanDerWaalsContact C-N 3.33Å
439E40.3Very low45.2Very low164 Ų164119.6 Ų119.677%0.76666%0.657SS**Hα-helixtrans-74.4-29.4178-72.3-163.3171.200113.5N441E439-N441 VanDerWaalsContact C-N 3.29Å; E439-N441 PolarHBondContact O-N 2.83Å
440E38.6Very low43.8Very low160 Ų160123.5 Ų123.575%0.74868%0.676SS**THydrogen-bonded Turntrans-74.6-16.9176.7-78.5-164.4165.200113.8
441N42Very low42.8Very low124 Ų124128.4 Ų128.466%0.66369%0.691SS**THydrogen-bonded Turntrans-94.5-4.2-178.9-77.2-61.2000114.7D437 E439D437-N441 PolarHBondContact O-ND2 3.35Å; E439-N441 VanDerWaalsContact C-N 3.29Å; E439-N441 PolarHBondContact O-N 2.83Å
442E43.6Very low42Very low174 Ų174125.2 Ų125.281%0.81368%0.683SS**SBendtrans-88.4-11.8175.2-73.9-157.7152.600114.3
443D41.7Very low41.3Very low163 Ų163125.8 Ų125.887%0.87269%0.694SS**  trans-108.217.5-178.9-85.2-18.2000115.2
444A39.8Very low40.7Very low147 Ų147130.2 Ų130.2100%1.21572%0.724SS**  trans-109.80171.600000112.5

Retrieved 444 of 444 residues in 847.9 ms (Link to these results)

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