A0A096MAP0_POEFO Loading...

Ras association domain family member 2a

AlphaFold DB , UniProt , Accession A0A096MAP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M33.7Very low64.4Low243 Ų24391.8 Ų91.8100%1.19752%0.52SS*.  099.80-73.3-167.817800105.4
2D40Very low66Low162 Ų16294.1 Ų94.187%0.86652%0.523SS*.  trans-67.5127.2-168.1-71-43.2000111.1T4D2-T4 PolarHBondContact O-N 2.89Å
3G40.8Very low67.1Low73 Ų73100.5 Ų100.575%0.75354%0.542SS*.  trans-70.8110.4170.500000108.6Q5G3-Q5 PolarHBondContact O-N 2.81Å; G3-Q5 VanDerWaalsContact O-N 3.12Å
4T50.9Low68.6Low123 Ų123102.7 Ų102.776%0.75554%0.544SS*.  trans-47115.6174.4-25.40000109.5D2 D6D2-T4 PolarHBondContact O-N 2.89Å; T4-D6 PolarHBondContact O-N 3.12Å
5Q56.6Low70.1Confident168 Ų168103.1 Ų103.179%0.78554%0.54SS*.  trans-69.383.4172.1-80.1179.9-22.800108.8G3 G7G3-Q5 PolarHBondContact O-N 2.81Å; G3-Q5 VanDerWaalsContact O-N 3.12Å; Q5-G7 PolarHBondContact O-N 2.65Å
6D69.4Low71.4Confident93 Ų9398.3 Ų98.350%0.49752%0.515SS..  trans-75.930.4176.6-167.431.8000113T4 K18T4-D6 PolarHBondContact O-N 3.12Å; D6-K18 PolarHBondContact O-N 3.37Å; D6-K18 WeakPolarHBondContact OD1-CD 3.46Å; D6-K18 WeakPolarHBondContact OD1-CG 3.46Å
7G78.8Confident72.7Confident25 Ų2595.9 Ų95.926%0.25851%0.508SS..EExtended strand (participates in β ladder)trans-117.1125.3-172.300000111.9Q5 I16Q5-G7 PolarHBondContact O-N 2.65Å; G7-I16 CarbonylContact C-O 3.54Å; G7-I16 VanDerWaalsContact CA-O 3.31Å; G7-I16 WeakPolarHBondContact CA-O 3.42Å
8V84.2Confident73.8Confident18 Ų1892.9 Ų92.911%0.10949%0.49CS..EExtended strand (participates in β ladder)trans-78.1128.5168.1179.70000108.9F15 I16 K18 I21 L48V8-F15 CarbonylContact O-C 3.49Å; V8-F15 VanDerWaalsContact O-CA 3.31Å; V8-F15 WeakPolarHBondContact O-CA 3.46Å; V8-I16 HydrophobicContact CB-CG2 4.02Å; V8-I16 PolarHBondContact N-O 2.85Å; V8-I16 PolarHBondContact O-N 3.17Å; V8-K18 HydrophobicContact CG2-CG 4.14Å; V8-I21 HydrophobicContact CB-CG2 4.47Å; V8-I21 HydrophobicContact CG2-CG2 3.92Å; V8-L48 HydrophobicContact CG2-CB 4.34Å; V8-L48 HydrophobicContact CG2-CD2 4.28Å
9Q85.5Confident74.8Confident81 Ų8191.9 Ų91.938%0.37950%0.496SS..EExtended strand (participates in β ladder)trans-73.4132.4179.3-162.9-178.8-2.700110.8G11 F15 F238Q9-G11 WeakPolarHBondContact CG-O 3.44Å; Q9-G11 PolarHBondContact NE2-O 3.42Å; Q9-F15 HydrophobicContact CB-CD1 4.07Å; Q9-F15 HydrophobicContact CB-CE1 3.86Å; Q9-F15 HydrophobicContact CG-CD1 4.3Å; Q9-F15 HydrophobicContact CG-CE1 3.88Å; Q9-F15 HydrophobicContact CG-CZ 4.28Å; Q9-F238 HydrophobicContact CB-CE2 3.98Å; Q9-F238 HydrophobicContact CB-CZ 4.5Å; Q9-F238 HydrophobicContact CG-CE2 3.76Å; Q9-F238 HydrophobicContact CG-CZ 4.45Å; Q9-F238 WeakPolarHBondContact O-CD2 3.35Å
10I84.8Confident75.8Confident24 Ų2488.9 Ų88.912%0.12348%0.484CS..EExtended strand (participates in β ladder)trans-111.5-22.5177.4-51.4161.9000111.5K14 I16 F238 V241 L242 I245I10-K14 PolarHBondContact N-O 3.02Å; I10-I16 HydrophobicContact CD1-CB 3.43Å; I10-I16 VanDerWaalsContact CD1-CB 3.43Å; I10-I16 HydrophobicContact CD1-CD1 4.44Å; I10-I16 HydrophobicContact CD1-CG2 3.41Å; I10-I16 VanDerWaalsContact CD1-CG2 3.41Å; I10-I16 HydrophobicContact CG1-CB 4.18Å; I10-I16 HydrophobicContact CG1-CG2 3.61Å; I10-F238 PolarHBondContact O-N 3.15Å; I10-V241 HydrophobicContact CB-CG1 4.44Å; I10-V241 HydrophobicContact CG1-CG1 3.86Å; I10-V241 HydrophobicContact CG2-CG1 4.26Å; I10-L242 HydrophobicContact CG2-CD2 3.39Å; I10-L242 HydrophobicContact CG2-CG 3.95Å; I10-I245 HydrophobicContact CD1-CD1 3.51Å; I10-I245 HydrophobicContact CG1-CD1 3.93Å; I10-I245 HydrophobicContact CG2-CD1 3.98Å
11G83.5Confident76.7Confident0 Ų084.6 Ų84.60%046%0.461CS..EExtended strand (participates in β ladder)trans-173.3-168177.700000111.5Q9 K13 K14 T236Q9-G11 WeakPolarHBondContact CG-O 3.44Å; Q9-G11 PolarHBondContact NE2-O 3.42Å; G11-K13 PolarHBondContact O-N 2.62Å; G11-K14 PolarHBondContact O-N 3.24Å; G11-T236 WeakPolarHBondContact CA-O 3.33Å
12E83.5Confident79.6Confident119 Ų11976.1 Ų76.156%0.55642%0.42SS*.THydrogen-bonded Turntrans-59.9114.9176.4-170.6179.2176.300110.9K14 T236E12-K14 PolarHBondContact O-N 2.99Å; E12-K14 VanDerWaalsContact O-N 3.13Å; E12-T236 HydrophobicContact CB-CG2 4.38Å
13K81.1Confident82.3Confident178 Ų17871.8 Ų71.877%0.77440%0.403SS*.THydrogen-bonded Turntrans5820.4-179.4-56.8173-176.4173.20114.8G11G11-K13 PolarHBondContact O-N 2.62Å
14K87.9Confident85Confident131 Ų13171.6 Ų71.657%0.5738%0.382SS*.EExtended strand (participates in β ladder)trans-114.4126.7176.3-68.9-176.2-179.4-177.30110.3I10 G11 E12I10-K14 PolarHBondContact N-O 3.02Å; G11-K14 PolarHBondContact O-N 3.24Å; E12-K14 PolarHBondContact O-N 2.99Å; E12-K14 VanDerWaalsContact O-N 3.13Å
15F90.3Very high87.2Confident108 Ų10866 Ų6647%0.47435%0.347SS..EExtended strand (participates in β ladder)trans-131.8150.3-177.8-61.3-89.9000111V8 Q9V8-F15 CarbonylContact O-C 3.49Å; V8-F15 VanDerWaalsContact O-CA 3.31Å; V8-F15 WeakPolarHBondContact O-CA 3.46Å; Q9-F15 HydrophobicContact CB-CD1 4.07Å; Q9-F15 HydrophobicContact CB-CE1 3.86Å; Q9-F15 HydrophobicContact CG-CD1 4.3Å; Q9-F15 HydrophobicContact CG-CE1 3.88Å; Q9-F15 HydrophobicContact CG-CZ 4.28Å
16I92.1Very high89.1Confident27 Ų2765.8 Ų65.814%0.13834%0.344CS..EExtended strand (participates in β ladder)trans-126.4143.5171.4-174.9165.2000109.1G7 V8 I10 A20 I21 I245G7-I16 CarbonylContact C-O 3.54Å; G7-I16 VanDerWaalsContact CA-O 3.31Å; G7-I16 WeakPolarHBondContact CA-O 3.42Å; V8-I16 HydrophobicContact CB-CG2 4.02Å; V8-I16 PolarHBondContact N-O 2.85Å; V8-I16 PolarHBondContact O-N 3.17Å; I10-I16 HydrophobicContact CD1-CB 3.43Å; I10-I16 VanDerWaalsContact CD1-CB 3.43Å; I10-I16 HydrophobicContact CD1-CD1 4.44Å; I10-I16 HydrophobicContact CD1-CG2 3.41Å; I10-I16 VanDerWaalsContact CD1-CG2 3.41Å; I10-I16 HydrophobicContact CG1-CB 4.18Å; I10-I16 HydrophobicContact CG1-CG2 3.61Å; I16-A20 HydrophobicContact CD1-CB 3.91Å; I16-A20 HydrophobicContact CG1-CB 3.65Å; I16-I21 HydrophobicContact CG2-CB 4.16Å; I16-I245 HydrophobicContact CD1-CD1 4.22Å; I16-I245 HydrophobicContact CD1-CG1 4.29Å
17S93.1Very high90.4Very high58 Ų5865.6 Ų65.641%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-63.3146.817863.10000111.6A19 A20 I21S17-A19 PolarHBondContact O-N 3.29Å; S17-A20 PolarHBondContact O-N 3.47Å; S17-A20 VanDerWaalsContact OG-CB 3.26Å; S17-A20 WeakPolarHBondContact OG-CB 3.37Å; S17-A20 PolarHBondContact OG-N 3.04Å; S17-I21 PolarHBondContact O-N 3.5Å; S17-I21 VanDerWaalsContact O-N 3.09Å
18K91.9Very high91.2Very high42 Ų4264.5 Ų64.518%0.18333%0.334CS..Hα-helixtrans-52-43.6174.7-71.7-169.1-175.2-177.80111.8D6 V8 A20 I21 L22 E43 E46D6-K18 PolarHBondContact O-N 3.37Å; D6-K18 WeakPolarHBondContact OD1-CD 3.46Å; D6-K18 WeakPolarHBondContact OD1-CG 3.46Å; V8-K18 HydrophobicContact CG2-CG 4.14Å; K18-A20 PolarHBondContact O-N 3.38Å; K18-I21 WeakPolarHBondContact O-CG2 3.3Å; K18-I21 PolarHBondContact O-N 3.03Å; K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 VanDerWaalsContact O-CG 3.28Å; K18-L22 WeakPolarHBondContact O-CG 3.32Å; K18-L22 PolarHBondContact O-N 3.49Å; K18-E43 IonicContact NZ-OE1 2.7Å; K18-E43 PolarHBondContact NZ-OE1 3.35Å; K18-E46 PolarHBondContact NZ-O 2.77Å
19A92.8Very high91.8Very high74 Ų7465.3 Ų65.361%0.61234%0.338SS*.Hα-helixtrans-60.9-41.2178.100000113S17 S23S17-A19 PolarHBondContact O-N 3.29Å; A19-S23 PolarHBondContact O-N 3.27Å
20A94.7Very high92.4Very high30 Ų3067 Ų6725%0.24835%0.349CS..Hα-helixtrans-67.7-46.6179.200000111.1I16 S17 K18 L22 S23 H24I16-A20 HydrophobicContact CD1-CB 3.91Å; I16-A20 HydrophobicContact CG1-CB 3.65Å; S17-A20 PolarHBondContact O-N 3.47Å; S17-A20 VanDerWaalsContact OG-CB 3.26Å; S17-A20 WeakPolarHBondContact OG-CB 3.37Å; S17-A20 PolarHBondContact OG-N 3.04Å; K18-A20 PolarHBondContact O-N 3.38Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.05Å; A20-S23 WeakPolarHBondContact O-CB 3.46Å; A20-S23 PolarHBondContact O-N 2.97Å; A20-H24 PolarHBondContact O-N 3.06Å; A20-H24 PolarHBondContact O-ND1 3.43Å
21I95.2Very high92.9Very high0 Ų071.4 Ų71.40%037%0.365CS..Hα-helixtrans-65.1-36.4179.6-166.767.4000112.1V8 I16 S17 K18 S23 H24 L25 L48 I50 V241 V244 I245V8-I21 HydrophobicContact CB-CG2 4.47Å; V8-I21 HydrophobicContact CG2-CG2 3.92Å; I16-I21 HydrophobicContact CG2-CB 4.16Å; S17-I21 PolarHBondContact O-N 3.5Å; S17-I21 VanDerWaalsContact O-N 3.09Å; K18-I21 WeakPolarHBondContact O-CG2 3.3Å; K18-I21 PolarHBondContact O-N 3.03Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.43Å; I21-H24 PolarHBondContact O-N 3.02Å; I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 PolarHBondContact O-N 3.35Å; I21-L48 HydrophobicContact CG2-CD2 3.54Å; I21-I50 HydrophobicContact CG1-CD1 3.84Å; I21-V241 HydrophobicContact CD1-CG1 3.87Å; I21-V244 HydrophobicContact CD1-CB 4.25Å; I21-V244 HydrophobicContact CD1-CG1 3.81Å; I21-V244 HydrophobicContact CG1-CG1 4.49Å; I21-I245 HydrophobicContact CD1-CD1 4.31Å; I21-I245 HydrophobicContact CD1-CG1 3.85Å
22L95.4Very high93.5Very high64 Ų6471.9 Ų71.934%0.33537%0.367SS..Hα-helixtrans-64.8-35.8174.2-72.5173.1000112.4K18 A20 L25 K26 L48K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 VanDerWaalsContact O-CG 3.28Å; K18-L22 WeakPolarHBondContact O-CG 3.32Å; K18-L22 PolarHBondContact O-N 3.49Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.05Å; L22-L25 HydrophobicContact CD2-CD2 4.31Å; L22-L25 PolarHBondContact O-N 3.33Å; L22-K26 WeakPolarHBondContact O-CB 3.42Å; L22-K26 PolarHBondContact O-N 3.47Å; L22-L48 HydrophobicContact CD2-CD1 4.01Å; L22-L48 HydrophobicContact CD2-CD2 3.84Å; L22-L48 HydrophobicContact CG-CD2 3.9Å
23S96.3Very high93.9Very high72 Ų7272.7 Ų72.750%0.50337%0.37SS..Hα-helixtrans-64.3-44.7173.3-174.30000112.1A19 A20 I21 L25 K26 T27A19-S23 PolarHBondContact O-N 3.27Å; A20-S23 WeakPolarHBondContact O-CB 3.46Å; A20-S23 PolarHBondContact O-N 2.97Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.43Å; S23-L25 VanDerWaalsContact C-N 3.35Å; S23-L25 PolarHBondContact O-N 3.03Å; S23-K26 PolarHBondContact O-N 2.96Å; S23-T27 PolarHBondContact O-N 2.87Å; S23-T27 VanDerWaalsContact O-N 3.13Å; S23-T27 PolarHBondContact O-OG1 2.99Å; S23-T27 VanDerWaalsContact O-OG1 3.07Å
24H96.9Very high94.2Very high69 Ų6967.9 Ų67.932%0.31937%0.371SS..Hα-helixtrans-61.7-44.1173.9-68.586.4000111A20 I21 K26 T27 Y28 V244A20-H24 PolarHBondContact O-N 3.06Å; A20-H24 PolarHBondContact O-ND1 3.43Å; I21-H24 PolarHBondContact O-N 3.02Å; H24-K26 PolarHBondContact O-N 3.38Å; H24-T27 PolarHBondContact O-N 3.48Å; H24-Y28 WeakPolarHBondContact O-CB 3.35Å; H24-Y28 PolarHBondContact O-N 3.38Å; H24-V244 HydrophobicContact CB-CG1 3.7Å
25L96.8Very high94.4Very high4 Ų466.6 Ų66.62%0.02137%0.367CS..Hα-helixtrans-61-41.6177.6-179.762.8000112.4I21 L22 S23 T27 Y28 N29 L39 H41 I50 V244I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 PolarHBondContact O-N 3.35Å; L22-L25 HydrophobicContact CD2-CD2 4.31Å; L22-L25 PolarHBondContact O-N 3.33Å; S23-L25 VanDerWaalsContact C-N 3.35Å; S23-L25 PolarHBondContact O-N 3.03Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 2.85Å; L25-Y28 WeakPolarHBondContact O-CB 3.49Å; L25-Y28 PolarHBondContact O-N 3.46Å; L25-N29 WeakPolarHBondContact O-CB 3.28Å; L25-N29 PolarHBondContact O-N 3.29Å; L25-L39 HydrophobicContact CD1-CB 3.63Å; L25-L39 HydrophobicContact CD1-CD1 4Å; L25-L39 HydrophobicContact CD1-CG 4.38Å; L25-H41 HydrophobicContact CD2-CB 3.83Å; L25-I50 HydrophobicContact CD1-CG2 3.96Å; L25-I50 HydrophobicContact CD2-CD1 4.1Å; L25-I50 HydrophobicContact CD2-CG1 4.14Å; L25-I50 HydrophobicContact CD2-CG2 4.33Å; L25-V244 HydrophobicContact CB-CG1 4.23Å
26K96.6Very high94.1Very high165 Ų16568.6 Ų68.672%0.71738%0.383SS*.Hα-helixtrans-59.3-45.6175-175179.8-179.3-179.60111.1L22 S23 H24 N29 L30L22-K26 WeakPolarHBondContact O-CB 3.42Å; L22-K26 PolarHBondContact O-N 3.47Å; S23-K26 PolarHBondContact O-N 2.96Å; H24-K26 PolarHBondContact O-N 3.38Å; K26-N29 PolarHBondContact O-N 2.95Å; K26-L30 WeakPolarHBondContact O-CB 3.44Å; K26-L30 PolarHBondContact O-N 3.38Å; K26-L30 VanDerWaalsContact O-N 3.07Å
27T96.3Very high94.2Very high88 Ų8868.6 Ų68.654%0.5438%0.383SS..Hα-helixtrans-65.7-40.7177.7-53.70000111.3S23 H24 L25 L30 Y31S23-T27 PolarHBondContact O-N 2.87Å; S23-T27 VanDerWaalsContact O-N 3.13Å; S23-T27 PolarHBondContact O-OG1 2.99Å; S23-T27 VanDerWaalsContact O-OG1 3.07Å; H24-T27 PolarHBondContact O-N 3.48Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 2.85Å; T27-L30 PolarHBondContact O-N 3.23Å; T27-Y31 PolarHBondContact O-N 3.42Å
28Y96.9Very high94.3Very high3 Ų369.7 Ų69.71%0.01238%0.382CS..Hα-helixtrans-59.3-49175.9-171.2-77.6000111.8H24 L25 L30 Y31 Y32 L39 R243 P248H24-Y28 WeakPolarHBondContact O-CB 3.35Å; H24-Y28 PolarHBondContact O-N 3.38Å; L25-Y28 WeakPolarHBondContact O-CB 3.49Å; L25-Y28 PolarHBondContact O-N 3.46Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; Y28-L30 PolarHBondContact O-N 2.98Å; Y28-Y31 WeakPolarHBondContact O-CB 3.46Å; Y28-Y31 PolarHBondContact O-N 3.14Å; Y28-Y32 HydrophobicContact CD1-CD2 4.04Å; Y28-Y32 HydrophobicContact CD1-CE2 4.48Å; Y28-Y32 AromaticContact CE1-CD2 3.52Å; Y28-Y32 HydrophobicContact CE1-CD2 3.52Å; Y28-Y32 AromaticContact CE1-CE2 3.72Å; Y28-Y32 HydrophobicContact CE1-CE2 3.72Å; Y28-Y32 HydrophobicContact CE2-CE2 4.4Å; Y28-Y32 AromaticContact CZ-CD2 3.99Å; Y28-Y32 AromaticContact CZ-CE2 3.67Å; Y28-Y32 PolarHBondContact O-N 3.14Å; Y28-L39 HydrophobicContact CD1-CD1 3.86Å; Y28-L39 HydrophobicContact CD1-CG 3.95Å; Y28-L39 HydrophobicContact CE1-CD1 3.71Å; Y28-L39 HydrophobicContact CE1-CD2 4.4Å; Y28-L39 HydrophobicContact CE1-CG 3.65Å; Y28-L39 HydrophobicContact CG-CD1 4.4Å; Y28-R243 HydrophobicContact CE2-CG 4.05Å; Y28-P248 HydrophobicContact CD1-CB 4.36Å; Y28-P248 HydrophobicContact CD2-CB 3.59Å; Y28-P248 HydrophobicContact CD2-CG 4.26Å; Y28-P248 HydrophobicContact CE1-CB 4.41Å; Y28-P248 VanDerWaalsContact CE2-CA 3.41Å; Y28-P248 HydrophobicContact CE2-CB 3.66Å; Y28-P248 HydrophobicContact CG-CB 3.95Å
29N97.1Very high94.5Very high34 Ų3467.9 Ų67.918%0.18237%0.374CS..Hα-helixtrans-72-26.2-177.8-78.2-13.1000113.7L25 K26 Y31 Y32 E33 Q38 L39L25-N29 WeakPolarHBondContact O-CB 3.28Å; L25-N29 PolarHBondContact O-N 3.29Å; K26-N29 PolarHBondContact O-N 2.95Å; N29-Y31 VanDerWaalsContact C-N 3.33Å; N29-Y32 CarbonylContact O-C 3.54Å; N29-Y32 PolarHBondContact O-N 3.02Å; N29-E33 PolarHBondContact O-N 2.89Å; N29-E33 VanDerWaalsContact O-N 3.14Å; N29-Q38 PolarHBondContact O-NE2 3.2Å; N29-L39 PolarHBondContact ND2-O 3.48Å; N29-L39 PolarHBondContact OD1-N 3.3Å; N29-L39 PolarHBondContact OD1-O 2.87Å
30L96.7Very high94.6Very high118 Ų11872.4 Ų72.462%0.61838%0.375SS*.Hα-helixtrans-63.9-39.4172-173.469.7000111.2K26 T27 Y28 Y32 E33K26-L30 WeakPolarHBondContact O-CB 3.44Å; K26-L30 PolarHBondContact O-N 3.38Å; K26-L30 VanDerWaalsContact O-N 3.07Å; T27-L30 PolarHBondContact O-N 3.23Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; Y28-L30 PolarHBondContact O-N 2.98Å; L30-Y32 VanDerWaalsContact C-N 3.31Å; L30-Y32 PolarHBondContact O-N 3.38Å; L30-E33 WeakPolarHBondContact O-CB 3.42Å; L30-E33 PolarHBondContact O-N 2.85Å
31Y95.8Very high94.7Very high116 Ų11676.2 Ų76.246%0.45539%0.388SS..Hα-helixtrans-64.3-36.3176.9-178.1-89.4000112.7T27 Y28 N29 P248 C249T27-Y31 PolarHBondContact O-N 3.42Å; Y28-Y31 WeakPolarHBondContact O-CB 3.46Å; Y28-Y31 PolarHBondContact O-N 3.14Å; N29-Y31 VanDerWaalsContact C-N 3.33Å; Y31-P248 HydrophobicContact CD1-CB 3.58Å; Y31-P248 HydrophobicContact CD1-CG 3.84Å; Y31-P248 HydrophobicContact CD2-CG 4.01Å; Y31-P248 HydrophobicContact CE1-CB 4.3Å; Y31-P248 HydrophobicContact CG-CB 3.76Å; Y31-P248 HydrophobicContact CG-CG 3.45Å; Y31-P248 VanDerWaalsContact CG-CG 3.45Å; Y31-C249 HydrophobicContact CE2-CB 4.24Å
32Y95.2Very high94.6Very high9 Ų979.8 Ų79.84%0.03540%0.401CS..THydrogen-bonded Turntrans-98.422.8179.9-71.1-62.3000113.1Y28 N29 L30 G34 Q35 L37 Q38 P248Y28-Y32 HydrophobicContact CD1-CD2 4.04Å; Y28-Y32 HydrophobicContact CD1-CE2 4.48Å; Y28-Y32 AromaticContact CE1-CD2 3.52Å; Y28-Y32 HydrophobicContact CE1-CD2 3.52Å; Y28-Y32 AromaticContact CE1-CE2 3.72Å; Y28-Y32 HydrophobicContact CE1-CE2 3.72Å; Y28-Y32 HydrophobicContact CE2-CE2 4.4Å; Y28-Y32 AromaticContact CZ-CD2 3.99Å; Y28-Y32 AromaticContact CZ-CE2 3.67Å; Y28-Y32 PolarHBondContact O-N 3.14Å; N29-Y32 CarbonylContact O-C 3.54Å; N29-Y32 PolarHBondContact O-N 3.02Å; L30-Y32 VanDerWaalsContact C-N 3.31Å; L30-Y32 PolarHBondContact O-N 3.38Å; Y32-G34 PolarHBondContact O-N 3.31Å; Y32-Q35 HydrophobicContact CD1-CB 4.34Å; Y32-Q35 WeakPolarHBondContact O-CB 3.3Å; Y32-Q35 PolarHBondContact O-N 2.95Å; Y32-L37 HydrophobicContact CD1-CB 3.69Å; Y32-L37 HydrophobicContact CD1-CD1 4.11Å; Y32-L37 HydrophobicContact CD1-CG 4.46Å; Y32-L37 HydrophobicContact CD2-CB 4Å; Y32-L37 HydrophobicContact CE1-CB 3.86Å; Y32-L37 HydrophobicContact CE1-CD1 3.49Å; Y32-L37 VanDerWaalsContact CE1-CD1 3.49Å; Y32-L37 HydrophobicContact CE1-CG 4.29Å; Y32-L37 HydrophobicContact CE2-CB 4.14Å; Y32-L37 HydrophobicContact CG-CB 3.77Å; Y32-Q38 WeakPolarHBondContact O-CG 3.42Å; Y32-P248 HydrophobicContact CD2-CB 3.8Å; Y32-P248 HydrophobicContact CE2-CB 3.33Å; Y32-P248 PolarHBondContact OH-O 3.26Å
33E93.6Very high94.4Very high136 Ų13682.9 Ų82.964%0.63641%0.414SS*.THydrogen-bonded Turntrans-56.2123.9-179.5-169.7168-15700111.5N29 L30 Q35N29-E33 PolarHBondContact O-N 2.89Å; N29-E33 VanDerWaalsContact O-N 3.14Å; L30-E33 WeakPolarHBondContact O-CB 3.42Å; L30-E33 PolarHBondContact O-N 2.85Å; E33-Q35 VanDerWaalsContact C-N 3.29Å; E33-Q35 PolarHBondContact O-N 3.14Å
34G87.6Confident93.9Very high77 Ų7783.8 Ų83.879%0.79441%0.41SS*.THydrogen-bonded Turntrans75.39.5-176.100000115.4Y32Y32-G34 PolarHBondContact O-N 3.31Å
35Q90.3Very high93.2Very high104 Ų10490 Ų9049%0.48644%0.439SS..SBendtrans-114.6162.7-179.9-55.9-175.22100112.8Y32 E33 L37Y32-Q35 HydrophobicContact CD1-CB 4.34Å; Y32-Q35 WeakPolarHBondContact O-CB 3.3Å; Y32-Q35 PolarHBondContact O-N 2.95Å; E33-Q35 VanDerWaalsContact C-N 3.29Å; E33-Q35 PolarHBondContact O-N 3.14Å; Q35-L37 PolarHBondContact O-N 2.98Å; Q35-L37 VanDerWaalsContact O-N 3.15Å
36N85.4Confident92.4Very high151 Ų15197.4 Ų97.481%0.80747%0.474SS*.THydrogen-bonded Turntrans-75.6-0.3-174.4-63.8-28.8000114.9
37L93.6Very high91.9Very high27 Ų2794.7 Ų94.714%0.14146%0.464CS..THydrogen-bonded Turntrans-101.46.3-178.2-67.3174.9000113.4Y32 Q35 L39 L53 N55Y32-L37 HydrophobicContact CD1-CB 3.69Å; Y32-L37 HydrophobicContact CD1-CD1 4.11Å; Y32-L37 HydrophobicContact CD1-CG 4.46Å; Y32-L37 HydrophobicContact CD2-CB 4Å; Y32-L37 HydrophobicContact CE1-CB 3.86Å; Y32-L37 HydrophobicContact CE1-CD1 3.49Å; Y32-L37 VanDerWaalsContact CE1-CD1 3.49Å; Y32-L37 HydrophobicContact CE1-CG 4.29Å; Y32-L37 HydrophobicContact CE2-CB 4.14Å; Y32-L37 HydrophobicContact CG-CB 3.77Å; Q35-L37 PolarHBondContact O-N 2.98Å; Q35-L37 VanDerWaalsContact O-N 3.15Å; L37-L39 PolarHBondContact O-N 3.34Å; L37-L53 HydrophobicContact CD2-CB 3.84Å; L37-L53 HydrophobicContact CD2-CD1 4.41Å; L37-N55 WeakPolarHBondContact CD1-ND2 3.38Å
38Q95.4Very high91.6Very high80 Ų8091 Ų9137%0.37444%0.441SS..PPolyproline II helixtrans-62.2138.1171.1-65.4-172.5-52.900111.3N29 Y32N29-Q38 PolarHBondContact O-NE2 3.2Å; Y32-Q38 WeakPolarHBondContact O-CG 3.42Å
39L96.6Very high91.5Very high4 Ų491.6 Ų91.62%0.02144%0.444CS..PPolyproline II helixtrans-96.4141.6177.4-56.8-178.8000109.5L25 Y28 N29 L37 I50 E51 L240 V244L25-L39 HydrophobicContact CD1-CB 3.63Å; L25-L39 HydrophobicContact CD1-CD1 4Å; L25-L39 HydrophobicContact CD1-CG 4.38Å; Y28-L39 HydrophobicContact CD1-CD1 3.86Å; Y28-L39 HydrophobicContact CD1-CG 3.95Å; Y28-L39 HydrophobicContact CE1-CD1 3.71Å; Y28-L39 HydrophobicContact CE1-CD2 4.4Å; Y28-L39 HydrophobicContact CE1-CG 3.65Å; Y28-L39 HydrophobicContact CG-CD1 4.4Å; N29-L39 PolarHBondContact ND2-O 3.48Å; N29-L39 PolarHBondContact OD1-N 3.3Å; N29-L39 PolarHBondContact OD1-O 2.87Å; L37-L39 PolarHBondContact O-N 3.34Å; L39-I50 HydrophobicContact CB-CG2 3.94Å; L39-I50 HydrophobicContact CD1-CG2 4.1Å; L39-E51 WeakPolarHBondContact CA-O 3.28Å; L39-L240 HydrophobicContact CD1-CD1 4.13Å; L39-L240 HydrophobicContact CD2-CD1 4.07Å; L39-V244 HydrophobicContact CD1-CG2 3.39Å
40R95.2Very high91.5Very high169 Ų16990.1 Ų90.164%0.63844%0.436SS*.EExtended strand (participates in β ladder)trans-102.5150.6174.9-59.9178.4-174.3174.6-1.5108.4I50 E51R40-I50 CarbonylContact O-C 3.54Å; R40-I50 WeakPolarHBondContact O-CA 3.31Å; R40-E51 HydrophobicContact CB-CG 4.19Å; R40-E51 PolarHBondContact N-O 3.12Å; R40-E51 PolarHBondContact O-N 3.45Å
41H94.9Very high91.5Very high110 Ų11086.9 Ų86.951%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-123.1152.7168.373.170000110.4L25 L48 I49 I50L25-H41 HydrophobicContact CD2-CB 3.83Å; H41-L48 HydrophobicContact CB-CD1 4.03Å; H41-I49 CarbonylContact C-O 3.49Å; H41-I49 WeakPolarHBondContact CA-O 3.43Å; H41-I50 HydrophobicContact CB-CG1 4.2Å
42R93.9Very high91.5Very high76 Ų7681.3 Ų81.329%0.28740%0.396SS..EExtended strand (participates in β ladder)trans-142.1161.2169.865.3-175.4-171.9-87-0.4108.8E44 I49 E51R42-E44 VanDerWaalsContact CD-OE1 3.32Å; R42-E44 WeakPolarHBondContact CD-OE1 3.37Å; R42-E44 HydrophobicContact CG-CG 4.3Å; R42-E44 IonicContact CZ-OE1 3.72Å; R42-E44 IonicContact CZ-OE2 2.91Å; R42-E44 IonicContact NE-OE1 2.79Å; R42-E44 PolarHBondContact NE-OE1 3.32Å; R42-E44 IonicContact NE-OE2 3.43Å; R42-E44 PolarHBondContact NE-OE2 3.41Å; R42-E44 IonicContact NH2-OE1 3.83Å; R42-E44 IonicContact NH2-OE2 3.84Å; R42-E44 PolarHBondContact NH2-OE2 3.13Å; R42-I49 HydrophobicContact CG-CB 4.02Å; R42-I49 PolarHBondContact N-O 3.13Å; R42-I49 PolarHBondContact O-N 3.45Å; R42-E51 IonicContact CZ-OE2 3.4Å; R42-E51 VanDerWaalsContact NH1-CD 3.31Å; R42-E51 IonicContact NH1-OE2 3.35Å; R42-E51 PolarHBondContact NH1-OE2 3.12Å
43E90.4Very high91.6Very high129 Ų12982.6 Ų82.660%0.60340%0.403SS*.EExtended strand (participates in β ladder)trans-114113.8172.9-166158.2-150.800107.3K18 E47K18-E43 IonicContact NZ-OE1 2.7Å; K18-E43 PolarHBondContact NZ-OE1 3.35Å; E43-E47 WeakPolarHBondContact CA-O 3.41Å
44E86.4Confident91.8Very high91 Ų9176.2 Ų76.243%0.42537%0.373SS..EExtended strand (participates in β ladder)trans-121.2131.9177.3-76.7178173.400107.2R42 E46 E47 I49R42-E44 VanDerWaalsContact CD-OE1 3.32Å; R42-E44 WeakPolarHBondContact CD-OE1 3.37Å; R42-E44 HydrophobicContact CG-CG 4.3Å; R42-E44 IonicContact CZ-OE1 3.72Å; R42-E44 IonicContact CZ-OE2 2.91Å; R42-E44 IonicContact NE-OE1 2.79Å; R42-E44 PolarHBondContact NE-OE1 3.32Å; R42-E44 IonicContact NE-OE2 3.43Å; R42-E44 PolarHBondContact NE-OE2 3.41Å; R42-E44 IonicContact NH2-OE1 3.83Å; R42-E44 IonicContact NH2-OE2 3.84Å; R42-E44 PolarHBondContact NH2-OE2 3.13Å; E44-E46 PolarHBondContact O-N 3.32Å; E44-E46 VanDerWaalsContact O-N 3.13Å; E44-E47 PolarHBondContact N-O 3.07Å; E44-E47 VanDerWaalsContact N-O 3.09Å; E44-E47 WeakPolarHBondContact O-CA 3.47Å; E44-E47 PolarHBondContact O-N 3.43Å; E44-I49 HydrophobicContact CB-CD1 3.91Å; E44-I49 HydrophobicContact CG-CD1 4.42Å; E44-I49 VanDerWaalsContact OE2-CD1 3.29Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å
45E81.8Confident92.3Very high198 Ų19873.4 Ų73.493%0.92534%0.34SS*.THydrogen-bonded Turntrans53.136.3176-56-178.1175.400114.1E47E45-E47 PolarHBondContact O-N 2.97Å
46E81.1Confident92.6Very high161 Ų16168.5 Ų68.575%0.75232%0.317SS*.THydrogen-bonded Turntrans66.57.6-174.7-51.9-176.1164.900115.3K18 E44K18-E46 PolarHBondContact NZ-O 2.77Å; E44-E46 PolarHBondContact O-N 3.32Å; E44-E46 VanDerWaalsContact O-N 3.13Å
47E85.3Confident93.2Very high108 Ų10862.1 Ų62.151%0.50528%0.283SS..EExtended strand (participates in β ladder)trans-101.9135.7175.1-165.2177.1169.400111.7E43 E44 E45 I49 C196E43-E47 WeakPolarHBondContact CA-O 3.41Å; E44-E47 PolarHBondContact N-O 3.07Å; E44-E47 VanDerWaalsContact N-O 3.09Å; E44-E47 WeakPolarHBondContact O-CA 3.47Å; E44-E47 PolarHBondContact O-N 3.43Å; E45-E47 PolarHBondContact O-N 2.97Å; E47-I49 PolarHBondContact O-N 3.33Å; E47-C196 PolarHBondContact OE1-SG 3.28Å; E47-C196 VanDerWaalsContact OE1-SG 3.36Å
48L91.2Very high93.3Very high10 Ų1061 Ų615%0.05228%0.276CS..EExtended strand (participates in β ladder)trans-80.9112.6175.2176.865.8000110V8 I21 L22 H41 I50 S195V8-L48 HydrophobicContact CG2-CB 4.34Å; V8-L48 HydrophobicContact CG2-CD2 4.28Å; I21-L48 HydrophobicContact CG2-CD2 3.54Å; L22-L48 HydrophobicContact CD2-CD1 4.01Å; L22-L48 HydrophobicContact CD2-CD2 3.84Å; L22-L48 HydrophobicContact CG-CD2 3.9Å; H41-L48 HydrophobicContact CB-CD1 4.03Å; L48-I50 HydrophobicContact CG-CG1 4.45Å; L48-S195 PolarHBondContact O-OG 3.07Å
49I94.9Very high93.3Very high16 Ų1657.3 Ų57.38%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-106.8117.7177.8-55.2179.1000109.9H41 R42 E44 E47 N194 S195H41-I49 CarbonylContact C-O 3.49Å; H41-I49 WeakPolarHBondContact CA-O 3.43Å; R42-I49 HydrophobicContact CG-CB 4.02Å; R42-I49 PolarHBondContact N-O 3.13Å; R42-I49 PolarHBondContact O-N 3.45Å; E44-I49 HydrophobicContact CB-CD1 3.91Å; E44-I49 HydrophobicContact CG-CD1 4.42Å; E44-I49 VanDerWaalsContact OE2-CD1 3.29Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å; E47-I49 PolarHBondContact O-N 3.33Å; I49-N194 HydrophobicContact CG2-CB 4.07Å; I49-S195 WeakPolarHBondContact CA-OG 3.29Å
50I96.2Very high93.1Very high2 Ų257.7 Ų57.71%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-99.9135171.7-54172.2000107.7I21 L25 L39 R40 H41 L48 N194 S195 L240I21-I50 HydrophobicContact CG1-CD1 3.84Å; L25-I50 HydrophobicContact CD1-CG2 3.96Å; L25-I50 HydrophobicContact CD2-CD1 4.1Å; L25-I50 HydrophobicContact CD2-CG1 4.14Å; L25-I50 HydrophobicContact CD2-CG2 4.33Å; L39-I50 HydrophobicContact CB-CG2 3.94Å; L39-I50 HydrophobicContact CD1-CG2 4.1Å; R40-I50 CarbonylContact O-C 3.54Å; R40-I50 WeakPolarHBondContact O-CA 3.31Å; H41-I50 HydrophobicContact CB-CG1 4.2Å; L48-I50 HydrophobicContact CG-CG1 4.45Å; I50-N194 CarbonylContact O-C 3.52Å; I50-N194 WeakPolarHBondContact O-CA 3.39Å; I50-N194 WeakPolarHBondContact O-CB 3.3Å; I50-S195 PolarHBondContact N-OG 3.46Å; I50-S195 PolarHBondContact O-N 3.09Å; I50-L240 HydrophobicContact CG2-CD2 4.27Å; I50-L240 WeakPolarHBondContact O-CD2 3.45Å
51E96.7Very high92.9Very high50 Ų5058.2 Ų58.223%0.23426%0.264CS..EExtended strand (participates in β ladder)trans-138.4147.3179.657.7158-131.300112.6L39 R40 R42 R192 I193 N194L39-E51 WeakPolarHBondContact CA-O 3.28Å; R40-E51 HydrophobicContact CB-CG 4.19Å; R40-E51 PolarHBondContact N-O 3.12Å; R40-E51 PolarHBondContact O-N 3.45Å; R42-E51 IonicContact CZ-OE2 3.4Å; R42-E51 VanDerWaalsContact NH1-CD 3.31Å; R42-E51 IonicContact NH1-OE2 3.35Å; R42-E51 PolarHBondContact NH1-OE2 3.12Å; E51-R192 IonicContact OE1-NH2 3.7Å; E51-R192 PolarHBondContact OE1-NH2 3.42Å; E51-I193 WeakPolarHBondContact CA-O 3.49Å; E51-N194 HydrophobicContact CB-CB 4.1Å
52G96.5Very high92.7Very high0 Ų058.2 Ų58.20%026%0.259CS..EExtended strand (participates in β ladder)trans169.9-164.7179.900000113.6R192 I193G52-R192 WeakPolarHBondContact O-CA 3.29Å; G52-I193 PolarHBondContact N-O 3.44Å; G52-I193 PolarHBondContact O-N 2.9Å
53L97.1Very high92.4Very high36 Ų3658.5 Ų58.519%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-91.9127.9176-68.4176000109.8L37 N190 V191 R192L37-L53 HydrophobicContact CD2-CB 3.84Å; L37-L53 HydrophobicContact CD2-CD1 4.41Å; L53-N190 HydrophobicContact CB-CB 4.31Å; L53-N190 HydrophobicContact CD2-CB 4.39Å; L53-V191 WeakPolarHBondContact CA-O 3.46Å; L53-R192 HydrophobicContact CD2-CB 4.04Å
54L97.4Very high92.5Very high1 Ų152.7 Ų52.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-103.8124.4169177.965.5000109.5I56 N190 V191 I193 V202 P239 L240 R243 V255L54-I56 HydrophobicContact CD2-CD1 4.42Å; L54-I56 HydrophobicContact CD2-CG1 4.25Å; L54-I56 HydrophobicContact CG-CG1 4.24Å; L54-N190 CarbonylContact O-C 3.33Å; L54-N190 VanDerWaalsContact O-CA 3.25Å; L54-N190 WeakPolarHBondContact O-CA 3.35Å; L54-V191 HydrophobicContact CB-CG2 4.27Å; L54-V191 PolarHBondContact N-O 3.29Å; L54-V191 PolarHBondContact O-N 3.34Å; L54-I193 HydrophobicContact CB-CD1 3.58Å; L54-I193 HydrophobicContact CB-CG1 3.9Å; L54-I193 HydrophobicContact CD2-CD1 3.46Å; L54-I193 VanDerWaalsContact CD2-CD1 3.46Å; L54-I193 HydrophobicContact CG-CD1 4.12Å; L54-V202 HydrophobicContact CD2-CG1 4.37Å; L54-P239 HydrophobicContact CD2-CB 3.97Å; L54-L240 HydrophobicContact CB-CD1 4.43Å; L54-R243 HydrophobicContact CD1-CB 3.72Å; L54-R243 HydrophobicContact CD1-CG 3.61Å; L54-V255 HydrophobicContact CD1-CG2 4.27Å
55N97.3Very high92.6Very high19 Ų1955.5 Ų55.510%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-74130.4169.3-69.4-24000110.4L37 F57 V188 E250L37-N55 WeakPolarHBondContact CD1-ND2 3.38Å; N55-F57 HydrophobicContact CB-CE2 4.39Å; N55-V188 HydrophobicContact CB-CG2 3.74Å; N55-E250 PolarHBondContact ND2-OE1 2.92Å
56I97.8Very high93Very high1 Ų146.2 Ų46.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-126.2128173.5-56.7176.7000107.9L54 T189 V191 V202 L206 L221 V255 L257L54-I56 HydrophobicContact CD2-CD1 4.42Å; L54-I56 HydrophobicContact CD2-CG1 4.25Å; L54-I56 HydrophobicContact CG-CG1 4.24Å; I56-T189 PolarHBondContact N-O 3.39Å; I56-T189 PolarHBondContact O-N 2.75Å; I56-T189 VanDerWaalsContact O-O 3.13Å; I56-V191 HydrophobicContact CD1-CG2 3.59Å; I56-V191 HydrophobicContact CG1-CG2 4.29Å; I56-V202 HydrophobicContact CD1-CG1 4.06Å; I56-L206 HydrophobicContact CB-CD2 4.34Å; I56-L206 HydrophobicContact CD1-CB 4.5Å; I56-L206 HydrophobicContact CD1-CD2 3.93Å; I56-L206 HydrophobicContact CG2-CD2 3.84Å; I56-L221 HydrophobicContact CD1-CD2 4.46Å; I56-L221 HydrophobicContact CG2-CD2 4.11Å; I56-V255 CarbonylContact C-O 3.6Å; I56-V255 WeakPolarHBondContact CA-O 3.32Å; I56-V255 HydrophobicContact CG1-CG1 4.44Å; I56-L257 HydrophobicContact CG2-CB 4.1Å
57F97.4Very high93.2Very high17 Ų1744.9 Ų44.98%0.07520%0.201CC..EExtended strand (participates in β ladder)trans-93.4140-180-68.9-99.1000110.5N55 G59 G186 S187 V188 E250 K254 V255 F256 L257N55-F57 HydrophobicContact CB-CE2 4.39Å; F57-G59 PolarHBondContact O-N 3.39Å; F57-G186 WeakPolarHBondContact CD1-O 3.43Å; F57-S187 WeakPolarHBondContact CA-O 3.38Å; F57-V188 HydrophobicContact CD1-CB 4.15Å; F57-V188 HydrophobicContact CD1-CG2 4.45Å; F57-V188 HydrophobicContact CD2-CG2 4.43Å; F57-V188 HydrophobicContact CE1-CB 3.95Å; F57-V188 HydrophobicContact CE1-CG2 4.18Å; F57-V188 HydrophobicContact CE2-CG2 4.14Å; F57-V188 HydrophobicContact CZ-CB 4.27Å; F57-V188 HydrophobicContact CZ-CG2 4.01Å; F57-E250 HydrophobicContact CE2-CG 4.32Å; F57-E250 VanDerWaalsContact CE2-OE2 3.27Å; F57-E250 WeakPolarHBondContact CE2-OE2 3.32Å; F57-E250 HydrophobicContact CZ-CB 4.23Å; F57-E250 HydrophobicContact CZ-CG 4.1Å; F57-K254 HydrophobicContact CD1-CD 4.23Å; F57-K254 HydrophobicContact CD2-CB 3.84Å; F57-K254 HydrophobicContact CD2-CD 4.21Å; F57-K254 HydrophobicContact CD2-CG 4.18Å; F57-K254 HydrophobicContact CE1-CD 4.06Å; F57-K254 HydrophobicContact CE2-CB 3.98Å; F57-K254 HydrophobicContact CE2-CD 4.04Å; F57-K254 HydrophobicContact CE2-CG 3.89Å; F57-K254 HydrophobicContact CG-CB 4.49Å; F57-K254 HydrophobicContact CG-CD 4.31Å; F57-K254 HydrophobicContact CZ-CD 3.96Å; F57-K254 HydrophobicContact CZ-CG 4.19Å; F57-V255 WeakPolarHBondContact CD2-O 3.44Å; F57-V255 PolarHBondContact N-O 3.16Å; F57-F256 HydrophobicContact CB-CD1 3.46Å; F57-F256 VanDerWaalsContact CB-CD1 3.46Å; F57-F256 HydrophobicContact CB-CD2 4.13Å; F57-F256 HydrophobicContact CB-CE1 3.41Å; F57-F256 VanDerWaalsContact CB-CE1 3.41Å; F57-F256 HydrophobicContact CB-CE2 4.1Å; F57-F256 HydrophobicContact CB-CG 3.84Å; F57-F256 HydrophobicContact CB-CZ 3.75Å; F57-F256 HydrophobicContact CG-CE1 4.31Å; F57-F256 HydrophobicContact CG-CE2 4.44Å; F57-F256 HydrophobicContact CG-CZ 4.2Å; F57-F256 CarbonylContact O-C 3.59Å; F57-F256 VanDerWaalsContact O-CA 3.29Å; F57-F256 WeakPolarHBondContact O-CA 3.49Å; F57-L257 PolarHBondContact O-N 3.46Å
58W96.1Very high92.6Very high2 Ų244.8 Ų44.81%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-79115.2175.2-63.5103000110.1L60 I64 H172 F181 P183 G186 S187 T189 L206 F210 I212 L257W58-L60 HydrophobicContact CE3-CD1 3.87Å; W58-L60 HydrophobicContact CE3-CG 4.41Å; W58-L60 HydrophobicContact CZ3-CD1 4.07Å; W58-I64 HydrophobicContact CZ3-CD1 4.17Å; W58-H172 AromaticContact CD1-CE1 3.65Å; W58-H172 AromaticContact NE1-CE1 3.29Å; W58-H172 PolarHBondContact NE1-CE1 3.33Å; W58-H172 VanDerWaalsContact NE1-CE1 3.29Å; W58-H172 AromaticContact NE1-NE2 3.42Å; W58-H172 PolarHBondContact NE1-NE2 2.9Å; W58-F181 HydrophobicContact CH2-CE1 4.07Å; W58-F181 HydrophobicContact CZ2-CE1 4.14Å; W58-F181 HydrophobicContact CZ3-CE1 4.45Å; W58-P183 HydrophobicContact CB-CB 3.72Å; W58-P183 HydrophobicContact CB-CG 3.9Å; W58-P183 HydrophobicContact CD2-CB 3.6Å; W58-P183 HydrophobicContact CD2-CG 3.65Å; W58-P183 HydrophobicContact CE3-CB 4.09Å; W58-P183 HydrophobicContact CE3-CG 3.58Å; W58-P183 HydrophobicContact CG-CB 3.42Å; W58-P183 VanDerWaalsContact CG-CB 3.42Å; W58-P183 HydrophobicContact CG-CG 3.81Å; W58-P183 HydrophobicContact CZ3-CG 4.28Å; W58-G186 PolarHBondContact O-N 2.95Å; W58-S187 VanDerWaalsContact CD1-O 3.28Å; W58-S187 VanDerWaalsContact CD1-OG 3.25Å; W58-S187 PolarHBondContact N-O 2.88Å; W58-T189 HydrophobicContact CZ2-CG2 3.96Å; W58-L206 HydrophobicContact CH2-CD1 4.44Å; W58-L206 HydrophobicContact CZ2-CD1 4.41Å; W58-F210 HydrophobicContact CH2-CD1 4.48Å; W58-F210 AromaticContact CH2-CD2 3.88Å; W58-F210 HydrophobicContact CH2-CD2 3.88Å; W58-F210 HydrophobicContact CH2-CE2 4.24Å; W58-F210 HydrophobicContact CH2-CG 4.02Å; W58-F210 HydrophobicContact CZ2-CD1 4.11Å; W58-F210 AromaticContact CZ2-CD2 3.68Å; W58-F210 HydrophobicContact CZ2-CD2 3.68Å; W58-F210 HydrophobicContact CZ2-CE1 4Å; W58-F210 AromaticContact CZ2-CE2 3.57Å; W58-F210 HydrophobicContact CZ2-CE2 3.57Å; W58-F210 AromaticContact CZ2-CG 3.96Å; W58-F210 HydrophobicContact CZ2-CG 3.96Å; W58-F210 AromaticContact CZ2-CZ 3.74Å; W58-F210 HydrophobicContact CZ2-CZ 3.74Å; W58-I212 HydrophobicContact CH2-CD1 4.09Å; W58-I212 HydrophobicContact CZ3-CD1 4.28Å; W58-L257 HydrophobicContact CE3-CD2 3.73Å; W58-L257 HydrophobicContact CH2-CD2 4.32Å; W58-L257 HydrophobicContact CZ3-CD2 3.37Å
59G94.9Very high91.3Very high3 Ų352.5 Ų52.53%0.03124%0.238CC..  trans-112.114.4178.200000113.6F57 L257F57-G59 PolarHBondContact O-N 3.39Å; G59-L257 CarbonylContact C-O 3.48Å; G59-L257 WeakPolarHBondContact CA-O 3.48Å; G59-L257 PolarHBondContact N-O 3.34Å
60L93.3Very high89.5Confident13 Ų1357.5 Ų57.57%0.06827%0.265CS..  trans-70.8137.6-176-58.3176.3000111.3W58 I64 P183 F219 L257 E259W58-L60 HydrophobicContact CE3-CD1 3.87Å; W58-L60 HydrophobicContact CE3-CG 4.41Å; W58-L60 HydrophobicContact CZ3-CD1 4.07Å; L60-I64 HydrophobicContact CD1-CD1 3.6Å; L60-I64 HydrophobicContact CD1-CG1 4.08Å; L60-I64 HydrophobicContact CD1-CG2 3.83Å; L60-P183 HydrophobicContact CD1-CG 4.05Å; L60-F219 HydrophobicContact CD1-CE1 4.33Å; L60-F219 HydrophobicContact CD2-CD1 3.72Å; L60-F219 HydrophobicContact CD2-CE1 3.79Å; L60-L257 HydrophobicContact CD1-CD2 4.42Å; L60-L257 HydrophobicContact CD2-CG 4.47Å; L60-E259 WeakPolarHBondContact CA-OE2 3.19Å; L60-E259 HydrophobicContact CD2-CG 4Å
61R90.4Very high87.5Confident179 Ų17961.4 Ų61.468%0.67529%0.286SS*.SBendtrans-100.8-23.1174-66.4-178.2172.8174.7-2112.2E259 L262R61-E259 PolarHBondContact N-OE1 3.3Å; R61-E259 PolarHBondContact N-OE2 3.02Å; R61-L262 HydrophobicContact CB-CD1 4.35Å
62R89.9Confident85.2Confident110 Ų11067.2 Ų67.242%0.41531%0.313SS..SBendtrans-104.9147.9179-63.8-176.7-65.7-151.12111.6E259 D261R62-E259 WeakPolarHBondContact CB-OE1 3.34Å; R62-E259 PolarHBondContact N-OE1 3.28Å; R62-E259 IonicContact NE-OE1 2.71Å; R62-D261 IonicContact CZ-OD1 2.97Å; R62-D261 IonicContact CZ-OD2 3.85Å; R62-D261 VanDerWaalsContact CZ-OD2 3.29Å; R62-D261 IonicContact NH1-OD1 3Å; R62-D261 IonicContact NH1-OD2 3.02Å; R62-D261 PolarHBondContact NH1-OD2 3.1Å; R62-D261 IonicContact NH2-OD1 3.94Å; R62-D261 PolarHBondContact NH2-OD1 2.91Å; R62-D261 IonicContact NH2-OD2 3.45Å; R62-D261 PolarHBondContact NH2-OD2 3.34Å
63P89.3Confident82.9Confident83 Ų8375.7 Ų75.754%0.53935%0.352SS..  trans-62.5142.6169.7-18.631.2000111.5V180P63-V180 HydrophobicContact CB-CG1 3.58Å
64I91.3Very high80.6Confident7 Ų780.5 Ų80.54%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-112.1159.2176.349.5168.6000110.6W58 L60 F181 I212 F219W58-I64 HydrophobicContact CZ3-CD1 4.17Å; L60-I64 HydrophobicContact CD1-CD1 3.6Å; L60-I64 HydrophobicContact CD1-CG1 4.08Å; L60-I64 HydrophobicContact CD1-CG2 3.83Å; I64-F181 HydrophobicContact CD1-CD1 3.48Å; I64-F181 VanDerWaalsContact CD1-CD1 3.48Å; I64-F181 HydrophobicContact CD1-CE1 4.03Å; I64-F181 HydrophobicContact CD1-CG 4.49Å; I64-F181 HydrophobicContact CG1-CB 4.18Å; I64-F181 HydrophobicContact CG1-CD1 3.78Å; I64-F181 HydrophobicContact CG1-CG 4.35Å; I64-F181 VanDerWaalsContact CG1-O 3.27Å; I64-F181 WeakPolarHBondContact CG1-O 3.26Å; I64-F181 PolarHBondContact N-O 2.69Å; I64-F181 PolarHBondContact O-N 3.34Å; I64-F181 VanDerWaalsContact O-O 3.14Å; I64-I212 HydrophobicContact CD1-CD1 3.55Å; I64-I212 HydrophobicContact CD1-CG1 4.03Å; I64-F219 HydrophobicContact CG2-CE1 3.67Å; I64-F219 HydrophobicContact CG2-CZ 3.65Å
65R89.8Confident78.2Confident149 Ų14987.2 Ų87.256%0.56240%0.402SS*.EExtended strand (participates in β ladder)trans-104.4137.7-178.4-68.6-178.4177-133.90.3111I212 E213 N214R65-I212 WeakPolarHBondContact O-CA 3.36Å; R65-E213 HydrophobicContact CB-CB 4.29Å; R65-E213 PolarHBondContact O-N 3.44Å; R65-N214 PolarHBondContact N-OD1 3.38Å
66L89.9Confident75.7Confident4 Ų497.2 Ų97.22%0.02144%0.439CS..BIsolated β-bridgetrans-92.9145.5169.6-51.4-170.7000109.5M68 I169 Y174 A179 F181 F210 K211 I212L66-M68 PolarHBondContact O-N 3.42Å; L66-M68 VanDerWaalsContact O-N 3.16Å; L66-I169 HydrophobicContact CD1-CG2 3.82Å; L66-Y174 HydrophobicContact CD1-CD1 3.82Å; L66-Y174 HydrophobicContact CD1-CD2 3.71Å; L66-Y174 HydrophobicContact CD1-CE1 4.13Å; L66-Y174 HydrophobicContact CD1-CE2 4.02Å; L66-Y174 HydrophobicContact CD1-CG 3.6Å; L66-A179 HydrophobicContact CB-CB 4.45Å; L66-A179 PolarHBondContact N-O 2.92Å; L66-A179 VanDerWaalsContact O-CB 3.29Å; L66-A179 WeakPolarHBondContact O-CB 3.27Å; L66-F181 HydrophobicContact CD1-CB 4.01Å; L66-F181 HydrophobicContact CD1-CG 4.37Å; L66-F181 HydrophobicContact CD2-CB 3.55Å; L66-F181 HydrophobicContact CD2-CD1 3.84Å; L66-F181 HydrophobicContact CD2-CG 3.9Å; L66-F181 HydrophobicContact CG-CB 3.63Å; L66-F181 HydrophobicContact CG-CG 4.32Å; L66-F210 VanDerWaalsContact CD2-O 3.27Å; L66-F210 WeakPolarHBondContact CD2-O 3.41Å; L66-K211 CarbonylContact C-O 3.46Å; L66-K211 VanDerWaalsContact CA-O 3.25Å; L66-K211 WeakPolarHBondContact CA-O 3.19Å; L66-I212 HydrophobicContact CD2-CG1 4.03Å
67Q85.2Confident73.1Confident132 Ų132101.8 Ų101.862%0.61747%0.469SS*.PPolyproline II helixtrans-58.5118.8168.9-170.417715.200108.3Q69 K211Q67-Q69 PolarHBondContact O-N 3.13Å; Q67-K211 HydrophobicContact CB-CB 4.35Å; Q67-K211 PolarHBondContact N-O 2.92Å
68M71.9Confident70.7Confident107 Ų107105.5 Ų105.553%0.52749%0.494SS..PPolyproline II helixtrans-66.1121.6175-64-150.467.800108.5L66 D70 H176 A179L66-M68 PolarHBondContact O-N 3.42Å; L66-M68 VanDerWaalsContact O-N 3.16Å; M68-D70 PolarHBondContact O-N 2.93Å; M68-H176 WeakPolarHBondContact CE-O 3.41Å; M68-A179 HydrophobicContact CE-CB 4.46Å; M68-A179 HydrophobicContact CG-CB 3.58Å; M68-A179 HydrophobicContact SD-CB 4.09Å
69Q63.5Low68.1Low171 Ų171111.5 Ų111.580%0.79953%0.533SS*.  trans-79109164.8-136.2159.3-2.300105.6Q67 D71Q67-Q69 PolarHBondContact O-N 3.13Å; Q69-D71 PolarHBondContact O-N 3.13Å; Q69-D71 VanDerWaalsContact O-N 3.12Å
70D57.4Low65.4Low122 Ų122116.1 Ų116.165%0.65257%0.565SS**  trans-59.4119.1173-93.9-21.8000108M68 H72M68-D70 PolarHBondContact O-N 2.93Å; D70-H72 PolarHBondContact O-N 3.21Å
71D53.9Low63.2Low83 Ų83120.7 Ų120.744%0.44460%0.599SS.*G310 helixtrans-64.411.4-178.9-75-43.7000113.9Q69 E73 R74Q69-D71 PolarHBondContact O-N 3.13Å; Q69-D71 VanDerWaalsContact O-N 3.12Å; D71-E73 PolarHBondContact O-N 2.99Å; D71-E73 VanDerWaalsContact O-N 3.16Å; D71-R74 HydrophobicContact CB-CG 4.31Å; D71-R74 PolarHBondContact O-N 2.91Å; D71-R74 IonicContact OD1-CZ 3.29Å; D71-R74 IonicContact OD1-NE 3.82Å; D71-R74 PolarHBondContact OD1-NE 2.87Å; D71-R74 IonicContact OD1-NH1 2.68Å; D71-R74 PolarHBondContact OD1-NH1 3.18Å; D71-R74 IonicContact OD1-NH2 2.75Å; D71-R74 PolarHBondContact OD1-NH2 2.91Å; D71-R74 IonicContact OD2-CZ 3.79Å; D71-R74 IonicContact OD2-NH1 3.59Å; D71-R74 PolarHBondContact OD2-NH1 2.73Å; D71-R74 IonicContact OD2-NH2 2.99Å; D71-R74 PolarHBondContact OD2-NH2 3.04Å
72H49.7Very low60.9Low172 Ų172118 Ų11880%0.79660%0.602SS**G310 helixtrans-63.5-15.9173.6-69.394.6000112.4D70D70-H72 PolarHBondContact O-N 3.21Å
73E48.3Very low58.5Low178 Ų178117.8 Ų117.883%0.83262%0.618SS**G310 helixtrans-108.719.7171-63.9-171.6173.500113.6D71 I75D71-E73 PolarHBondContact O-N 2.99Å; D71-E73 VanDerWaalsContact O-N 3.16Å; E73-I75 PolarHBondContact O-N 3.22Å
74R48.3Very low56.3Low137 Ų137124.9 Ų124.952%0.51763%0.634SS.*SBendtrans-64.794.4157.9-88.5-159-162.8100.214.2107.5D71 R76D71-R74 HydrophobicContact CB-CG 4.31Å; D71-R74 PolarHBondContact O-N 2.91Å; D71-R74 IonicContact OD1-CZ 3.29Å; D71-R74 IonicContact OD1-NE 3.82Å; D71-R74 PolarHBondContact OD1-NE 2.87Å; D71-R74 IonicContact OD1-NH1 2.68Å; D71-R74 PolarHBondContact OD1-NH1 3.18Å; D71-R74 IonicContact OD1-NH2 2.75Å; D71-R74 PolarHBondContact OD1-NH2 2.91Å; D71-R74 IonicContact OD2-CZ 3.79Å; D71-R74 IonicContact OD2-NH1 3.59Å; D71-R74 PolarHBondContact OD2-NH1 2.73Å; D71-R74 IonicContact OD2-NH2 2.99Å; D71-R74 PolarHBondContact OD2-NH2 3.04Å; R74-R76 PolarHBondContact O-N 3.49Å; R74-R76 VanDerWaalsContact O-N 3.13Å
75I47.7Very low53.7Low142 Ų142133 Ų13373%0.72867%0.671SS**  29.786.2127.7-52.8166.9000109.2E73 P77E73-I75 PolarHBondContact O-N 3.22Å; I75-P77 WeakPolarHBondContact O-CD 3.42Å
76R44.3Very low51Low230 Ų230132 Ų13287%0.86869%0.686SS**  trans-50115.5153.3-75.8-176.9-179179.10.9103.9R74R74-R76 PolarHBondContact O-N 3.49Å; R74-R76 VanDerWaalsContact O-N 3.13Å
77P43.7Very low48.2Very low97 Ų97135.3 Ų135.363%0.6372%0.722SS**  trans-53.3133.2171.521.7-29.4000105.7I75I75-P77 WeakPolarHBondContact O-CD 3.42Å
78P46Very low45.8Very low95 Ų95135.4 Ų135.462%0.61774%0.736SS**  trans-51.7135.3167.824.3-31.5000105.7S80P78-S80 PolarHBondContact O-N 3.48Å; P78-S80 PolarHBondContact O-OG 3Å; P78-S80 VanDerWaalsContact O-OG 3.12Å
79P41.5Very low43.8Very low127 Ų127137.5 Ų137.583%0.82575%0.749SS**  trans-57.599.6-17922.8-30.9000106.7S81P79-S81 PolarHBondContact O-N 3.08Å
80S38.5Very low42.2Very low101 Ų101136.8 Ų136.871%0.70675%0.75SS**  trans-72.8108.2-176-62.30000104.1P78 T82P78-S80 PolarHBondContact O-N 3.48Å; P78-S80 PolarHBondContact O-OG 3Å; P78-S80 VanDerWaalsContact O-OG 3.12Å; S80-T82 PolarHBondContact O-N 3.24Å
81S47.1Very low40.8Very low109 Ų109137.5 Ų137.576%0.76275%0.754SS**SBendtrans-49.1134.3167.2-69.70000107.8P79P79-S81 PolarHBondContact O-N 3.08Å
82T42.5Very low39.7Very low122 Ų122139.6 Ų139.675%0.74878%0.775SS**  trans90.687.8-179.977.80000117.5S80S80-T82 PolarHBondContact O-N 3.24Å
83S38.1Very low38.9Very low106 Ų106140.9 Ų140.974%0.74178%0.781SS**  -135.8109.3129.575.90000109.6H85S83-H85 PolarHBondContact O-N 2.89Å
84W43.7Very low37.9Very low231 Ų231136.3 Ų136.388%0.87578%0.782SS**  trans-63.2105167-70.363.5000108.8
85H36.9Very low37Very low179 Ų179135.4 Ų135.483%0.82980%0.796SS**  trans-139.8124154.9-80.3-66.7000109.6S83S83-H85 PolarHBondContact O-N 2.89Å
86S33.5Very low36.9Very low126 Ų126133.5 Ų133.588%0.88179%0.793SS**  trans-62.9138-172.1-46.80000113.9
87G30Very low36.1Very low75 Ų75129.1 Ų129.177%0.77379%0.787SS**  trans76.498.1131.700000119.4
88C34.6Very low35.4Very low133 Ų133132 Ų13290%0.89980%0.797SS**  -167.5125.9125.954.70000110.7
89N30.6Very low34.6Very low151 Ų151132.7 Ų132.781%0.80780%0.8SS**  trans-71149.8175.7-88.8-29.8000112.5
90L29.8Very low34Very low156 Ų156134.2 Ų134.282%0.81780%0.801SS**  -172.5115.2107.7-142.970.7000112
91D29.1Very low33.5Very low137 Ų137132.7 Ų132.773%0.73380%0.802SS**  trans25.6122143-49.4-30.9000121
92S30.5Very low32.8Very low127 Ų127137 Ų13789%0.88881%0.81SS**  -164.4138.8111.2-148.10000112.1
93Q31.5Very low32.2Very low200 Ų200139.6 Ų139.694%0.93581%0.813SS**  trans-72.8152.1-169.6-67.1175.7-1300114.4
94G28.2Very low31.7Very low81 Ų81140.9 Ų140.984%0.83582%0.817SS**  trans167.1100.4159.400000112.9
95S28.7Very low30.9Very low118 Ų118135.1 Ų135.183%0.82581%0.812SS**  trans-127.2171.5171.3-110.50000107.4
96P45.6Very low30.6Very low103 Ų103135.5 Ų135.567%0.66981%0.814SS**  cis-140.6-167.5-13.633-9.6000114
97N27.2Very low30.4Very low137 Ų137138.8 Ų138.873%0.73382%0.815SS**  trans94.2113.6155.2-63.1-8.6000119.4
98N29.8Very low30.5Very low157 Ų157142.7 Ų142.784%0.8482%0.819SS**  -174160.388.5-109.4-23000113.1
99T29.2Very low30.4Very low111 Ų111142 Ų14268%0.68181%0.812SS**  trans-80174.8-167.531.70000116.9
100D30.1Very low30.6Very low158 Ų158140.6 Ų140.685%0.84581%0.811SS**  trans80.6127.7163.4-52.7-30.5000116.3
101G27.8Very low30.6Very low70 Ų70139 Ų13972%0.72281%0.809SS**  cis127.998.412.300000108.6
102Q32.1Very low30.8Very low199 Ų199138.7 Ų138.793%0.9381%0.811SS**  trans-165.8134.3152.2-136140.725.800114.6
103Q29.3Very low31Very low177 Ų177140.6 Ų140.683%0.82781%0.806SS**  trans-67.3152.1171.1-64.6164.8-1600111.6
104T26.8Very low31Very low133 Ų133137.2 Ų137.282%0.81680%0.799SS**  trans-166.2114.2137.116.40000111.9
105S28.1Very low31.4Very low110 Ų110139 Ų13977%0.76979%0.794SS**  trans47.1116.8135.839.10000122.1
106E29.8Very low32Very low187 Ų187138.5 Ų138.587%0.87479%0.788SS**  trans-53.6134.7162.1-60.5169.913900113.8
107Q29.8Very low31.5Very low194 Ų194139.8 Ų139.891%0.90780%0.796SS**  trans-146.5121.4148.2-85.8-168.8-22.800110.1
108N32.8Very low31.5Very low158 Ų158141 Ų14185%0.84580%0.802SS**PPolyproline II helixtrans-69.9141.5174.3-65.3-43.5000111.6
109P32.7Very low31.7Very low117 Ų117139.1 Ų139.176%0.7680%0.802SS**PPolyproline II helixtrans-89.2152.6160.331.7-26.1000111.7
110P33.1Very low31.7Very low122 Ų122143.5 Ų143.579%0.79281%0.811SS**PPolyproline II helixtrans-77.2138.3-168.631.2-33.6000112.8
111T30.8Very low31.8Very low124 Ų124144.3 Ų144.376%0.76181%0.81SS**PPolyproline II helixtrans-64.4122.9172.5-46.10000110.7E113T111-E113 HydrophobicContact CG2-CG 4.38Å
112V33.3Very low31.9Very low129 Ų129149.4 Ų149.478%0.78282%0.815SS**  trans-91.9107.2164.1177.70000107.2V114V112-V114 HydrophobicContact CG1-CG2 4.45Å
113E34.4Very low31.5Very low167 Ų167147 Ų14778%0.7881%0.809SS**  trans-76.7125.3170.1-70.1-175164.700109.7T111T111-E113 HydrophobicContact CG2-CG 4.38Å
114V32.4Very low31.8Very low129 Ų129145.5 Ų145.578%0.78281%0.806SS**  trans-114.4105161.6177.10000106.6V112V112-V114 HydrophobicContact CG1-CG2 4.45Å
115T35.9Very low31.9Very low119 Ų119145.4 Ų145.473%0.7381%0.806SS**PPolyproline II helixtrans-67127.6170.7-38.40000109.3
116P40.7Very low32.1Very low108 Ų108149 Ų14970%0.70181%0.811SS**PPolyproline II helixtrans-78.3144.2169.931-30.3000110
117P35.1Very low32Very low129 Ų129146.3 Ų146.384%0.83881%0.807SS**PPolyproline II helixtrans-80.3146.6171.131.3-28.6000111.3
118D28.3Very low32Very low163 Ų163144.3 Ų144.387%0.87280%0.802SS**PPolyproline II helixtrans-49.9143.4-177-81.8-45000115.4
119S33.4Very low31.8Very low118 Ų118146.1 Ų146.183%0.82581%0.806SS**PPolyproline II helixtrans-84.7117.9168.738.30000110.2
120K29.9Very low31.8Very low202 Ų202148.6 Ų148.688%0.87881%0.807SS**  trans-128.9117.6154-74.7-173178.2178.70109.2
121Q31.1Very low31.8Very low176 Ų176149.1 Ų149.182%0.82280%0.803SS**  trans-43.2150.2153.3-80.3164.5-3000110.5
122E29.5Very low31.9Very low176 Ų176148.9 Ų148.982%0.82281%0.807SS**  cis-148.616020.8-90137.4-161.500105.6
123D24.4Very low32.2Very low150 Ų150149.7 Ų149.780%0.80280%0.802SS**  177.9152.972.1-17214.1000108.4
124N34.7Very low32.1Very low145 Ų145146.8 Ų146.878%0.77580%0.8SS**  trans-74.3124.3-177.7-72.9-46.7000112
125T28.8Very low32.4Very low131 Ų131146.1 Ų146.180%0.80480%0.801SS**  trans-144.1110.8143.7480000109.9
126E32.5Very low32.6Very low186 Ų186145.2 Ų145.287%0.86981%0.806SS**  trans-63.7123.9167.9-64175.9156.200109.7
127T28.7Very low32.4Very low129 Ų129148.9 Ų148.979%0.79181%0.813SS**  trans-139.9102.6152.37.70000106.7E129T127-E129 PolarHBondContact O-N 3.19Å
128D29.4Very low32.4Very low153 Ų153150.9 Ų150.982%0.81882%0.816SS**  trans-64.5106.3171.3-79-45.6000109.2E130D128-E130 PolarHBondContact O-N 3.32Å
129E29.8Very low32.7Very low196 Ų196151.8 Ų151.892%0.91682%0.82SS**  trans-89.394.7160.7-72.1-162.5172.700108.7T127T127-E129 PolarHBondContact O-N 3.19Å
130E32.6Very low33Very low169 Ų169157.5 Ų157.579%0.7982%0.824SS**  trans-68.3129172-69.6-172.3154.500111.9D128D128-E130 PolarHBondContact O-N 3.32Å
131D31.8Very low33.3Very low132 Ų132154.4 Ų154.471%0.70682%0.822SS**  trans59.689.4138.6-70.1-13.4000120.4
132S33.8Very low33.9Very low120 Ų120155.4 Ų155.484%0.83982%0.823SS**  trans-99.427.4153.6-1610000113S134S132-S134 VanDerWaalsContact C-N 3.33Å
133E38.6Very low34.6Very low145 Ų145152.5 Ų152.568%0.67882%0.822SS**  trans-85.110.1175.9-96.2-166.8176.500113.8S135 R154E133-S135 PolarHBondContact O-N 2.93Å; E133-R154 IonicContact OE1-NH2 3.06Å; E133-R154 IonicContact OE2-NH2 3.68Å; E133-R154 PolarHBondContact OE2-NH2 3.34Å
134S33.4Very low35Very low106 Ų106153.6 Ų153.674%0.74183%0.828SS**THydrogen-bonded Turntrans-85.83.2-171.188.10000116.9S132S132-S134 VanDerWaalsContact C-N 3.33Å
135S37.1Very low35.2Very low116 Ų116151.6 Ų151.681%0.81183%0.832SS**THydrogen-bonded Turntrans-97.510.2-171.2-55.50000115.9E133E133-S135 PolarHBondContact O-N 2.93Å
136A40.5Very low35.8Very low99 Ų99148.5 Ų148.582%0.81883%0.826SS**  trans-120.731.1-175.800000115.3
137Q37.5Very low36Very low185 Ų185147.9 Ų147.986%0.86483%0.827SS**  trans-116.2103.7176.3-120.1173.4-5.100112.1
138L35.1Very low36.5Very low172 Ų172149.8 Ų149.890%0.90183%0.831SS**  trans-66.3133.3165.3-71.2170.6000109.6R140L138-R140 PolarHBondContact O-N 3.26Å; L138-R140 VanDerWaalsContact O-N 3.12Å
139L33.5Very low37.5Very low182 Ų182154.3 Ų154.395%0.95384%0.837SS**  trans-63.1108.3175.1-71.1166.8000110.1
140R40.2Very low38Very low238 Ų238156 Ų15690%0.89884%0.835SS**  trans-92.1134.1165.7-162.2174.5179111.4-2.2109L138 K142L138-R140 PolarHBondContact O-N 3.26Å; L138-R140 VanDerWaalsContact O-N 3.12Å; R140-K142 PolarHBondContact O-N 3.46Å
141T35.9Very low38.7Very low136 Ų136151.7 Ų151.783%0.83484%0.835SS**  trans-59.9121.1-177.418.80000112.5
142K44.7Very low39.5Very low198 Ų198153.9 Ų153.986%0.86184%0.841SS**  trans12.8111.8159.8-49.1-159-179.8-170.70118.1R140R140-K142 PolarHBondContact O-N 3.46Å
143S43.3Very low40.4Very low114 Ų114160.1 Ų160.180%0.79785%0.847SS**  16895.1123.230.20000110.2
144D33.3Very low41.5Very low174 Ų174158.6 Ų158.693%0.9384%0.835SS**  178.1133.7120.1-107.5-20.8000110.3
145A39Very low42.9Very low102 Ų102155.6 Ų155.684%0.84381%0.814SS**  trans-87.9140.4-179.300000110.4
146G42Very low44.2Very low66 Ų66154.5 Ų154.568%0.6880%0.804SS**  trans103.1102.9161.700000114.2
147I36.4Very low45.2Very low173 Ų173153.3 Ų153.389%0.88779%0.789SS**  -168.8120.5127.7-89.1145.1000106.7
148L38.7Very low46.3Very low170 Ų170147.6 Ų147.689%0.8977%0.765SS**  trans-55.9140.3175.1-75154.7000111R150L148-R150 PolarHBondContact O-N 3.36Å
149R50.3Low47.6Very low247 Ų247144.6 Ų144.693%0.93275%0.746SS**  trans-53.4123.5174-65.1-168.9173.8-159.4-0.6110.9
150R41.2Very low48.9Very low232 Ų232144.2 Ų144.288%0.87573%0.732SS**  trans-133.9117.1158.7-145.2177-170.7-174.32.7105.5L148 Q152L148-R150 PolarHBondContact O-N 3.36Å; R150-Q152 PolarHBondContact O-N 2.88Å
151G47.2Very low50Low78 Ų78138.6 Ų138.680%0.80471%0.714SS**  trans-49.8108.1177.100000109.4R153G151-R153 PolarHBondContact O-N 3.11Å
152Q47.7Very low51Low178 Ų178134.7 Ų134.783%0.83269%0.688SS**  trans-68.699.8176-86-175.7-26.900107R150 R154R150-Q152 PolarHBondContact O-N 2.88Å; Q152-R154 PolarHBondContact O-N 3.14Å
153R52.7Low51.8Low251 Ų251135.2 Ų135.295%0.94768%0.684SS**  trans-5598.1154.5-76.3-171.1174.6-158.6-1.7106.3G151 S155G151-R153 PolarHBondContact O-N 3.11Å; R153-S155 PolarHBondContact O-N 2.92Å
154R62.2Low52.6Low113 Ų113138.5 Ų138.543%0.42668%0.679SS.*  trans-53.5134.2-179.3-64.4-170.2179.6151.74.2108.1E133 Q152 D158 Q159 I162E133-R154 IonicContact OE1-NH2 3.06Å; E133-R154 IonicContact OE2-NH2 3.68Å; E133-R154 PolarHBondContact OE2-NH2 3.34Å; Q152-R154 PolarHBondContact O-N 3.14Å; R154-D158 HydrophobicContact CB-CB 4.15Å; R154-Q159 HydrophobicContact CB-CG 4.11Å; R154-Q159 PolarHBondContact O-NE2 3.27Å; R154-I162 VanDerWaalsContact NH1-CD1 3.26Å
155S63.5Low53.8Low43 Ų43133.7 Ų133.730%0.30165%0.651SS.*  trans-57.7153.4-178.875.60000110.4R153 S157 D158 Q159R153-S155 PolarHBondContact O-N 2.92Å; S155-S157 PolarHBondContact O-N 3.04Å; S155-D158 WeakPolarHBondContact CB-OD2 3.31Å; S155-D158 WeakPolarHBondContact O-CA 2.83Å; S155-D158 PolarHBondContact O-N 3.5Å; S155-D158 PolarHBondContact OG-N 2.87Å; S155-D158 VanDerWaalsContact OG-N 3.12Å; S155-D158 PolarHBondContact OG-OD2 2.86Å; S155-Q159 PolarHBondContact O-N 3.2Å
156P63.6Low55.1Low93 Ų93135.6 Ų135.660%0.60464%0.637SS**Hα-helixtrans-53-29.8175.3-26.134.1000112.8R160P156-R160 WeakPolarHBondContact O-CB 3.13Å; P156-R160 VanDerWaalsContact O-CG 3.24Å; P156-R160 WeakPolarHBondContact O-CG 3.31Å; P156-R160 PolarHBondContact O-N 3.38Å
157S60.4Low56.6Low74 Ų74135.7 Ų135.752%0.51762%0.618SS.*Hα-helixtrans-69.3-40.4174.4-52.20000112.6S155 R160 K161S155-S157 PolarHBondContact O-N 3.04Å; S157-R160 PolarHBondContact O-N 2.8Å; S157-K161 WeakPolarHBondContact O-CG 3.39Å; S157-K161 PolarHBondContact O-N 3.4Å
158D62.1Low58.6Low65 Ų65131.1 Ų131.135%0.34860%0.601SS.*Hα-helixtrans-72.5-38.4176.3-62-41.1000111.5R154 S155 R160 K161 I162R154-D158 HydrophobicContact CB-CB 4.15Å; S155-D158 WeakPolarHBondContact CB-OD2 3.31Å; S155-D158 WeakPolarHBondContact O-CA 2.83Å; S155-D158 PolarHBondContact O-N 3.5Å; S155-D158 PolarHBondContact OG-N 2.87Å; S155-D158 VanDerWaalsContact OG-N 3.12Å; S155-D158 PolarHBondContact OG-OD2 2.86Å; D158-R160 VanDerWaalsContact C-N 3.3Å; D158-R160 PolarHBondContact O-N 2.9Å; D158-K161 PolarHBondContact O-N 3.39Å; D158-I162 WeakPolarHBondContact O-CB 3.43Å; D158-I162 WeakPolarHBondContact O-CD1 3.48Å; D158-I162 VanDerWaalsContact O-CG1 3.23Å; D158-I162 WeakPolarHBondContact O-CG1 3.42Å; D158-I162 PolarHBondContact O-N 3.27Å
159Q60.8Low60.6Low110 Ų110124.4 Ų124.451%0.51457%0.566SS.*Hα-helixtrans-60.9-39.7170.7-66.1-179.823.100111.5R154 S155 I162 R163R154-Q159 HydrophobicContact CB-CG 4.11Å; R154-Q159 PolarHBondContact O-NE2 3.27Å; S155-Q159 PolarHBondContact O-N 3.2Å; Q159-I162 PolarHBondContact O-N 2.9Å; Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 3.46Å
160R62Low62.1Low173 Ų173116.7 Ų116.765%0.65354%0.544SS*.Hα-helixtrans-65.7-39.8172.5-78174-174.9-162.71.8112.6P156 S157 D158 R164P156-R160 WeakPolarHBondContact O-CB 3.13Å; P156-R160 VanDerWaalsContact O-CG 3.24Å; P156-R160 WeakPolarHBondContact O-CG 3.31Å; P156-R160 PolarHBondContact O-N 3.38Å; S157-R160 PolarHBondContact O-N 2.8Å; D158-R160 VanDerWaalsContact C-N 3.3Å; D158-R160 PolarHBondContact O-N 2.9Å; R160-R164 WeakPolarHBondContact O-CG 3.46Å; R160-R164 PolarHBondContact O-N 3.37Å; R160-R164 VanDerWaalsContact O-N 3.12Å
161K62.4Low63.7Low120 Ų120108.7 Ų108.752%0.52253%0.533SS..Hα-helixtrans-65.5-42174.8-76.4174.8-177.7173.90112.1S157 D158 R164 H165S157-K161 WeakPolarHBondContact O-CG 3.39Å; S157-K161 PolarHBondContact O-N 3.4Å; D158-K161 PolarHBondContact O-N 3.39Å; K161-R164 PolarHBondContact O-N 3.07Å; K161-H165 PolarHBondContact O-CD2 3.44Å; K161-H165 VanDerWaalsContact O-CD2 3.28Å; K161-H165 PolarHBondContact O-N 3.48Å
162I57.9Low65.1Low55 Ų55106.3 Ų106.328%0.28250%0.501SS..Hα-helixtrans-64.7-43.7176.8-69.5158000110.6R154 D158 Q159 R164 H165 R166R154-I162 VanDerWaalsContact NH1-CD1 3.26Å; D158-I162 WeakPolarHBondContact O-CB 3.43Å; D158-I162 WeakPolarHBondContact O-CD1 3.48Å; D158-I162 VanDerWaalsContact O-CG1 3.23Å; D158-I162 WeakPolarHBondContact O-CG1 3.42Å; D158-I162 PolarHBondContact O-N 3.27Å; Q159-I162 PolarHBondContact O-N 2.9Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 3.43Å; I162-H165 CarbonylContact O-C 3.51Å; I162-H165 PolarHBondContact O-N 2.76Å; I162-H165 VanDerWaalsContact O-N 3.15Å; I162-R166 HydrophobicContact CG2-CG 4.28Å; I162-R166 WeakPolarHBondContact O-CG 3.39Å; I162-R166 PolarHBondContact O-N 2.84Å; I162-R166 VanDerWaalsContact O-N 3.1Å
163R60.6Low66.6Low208 Ų208103.3 Ų103.379%0.78549%0.486SS*.Hα-helixtrans-59.6-38.7174.9-85.1-174.9167.4-167.4-2.3112.9Q159 H165Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 3.46Å; R163-H165 PolarHBondContact O-N 3.37Å
164R61.2Low68Low184 Ų18494.1 Ų94.169%0.69445%0.451SS*.Hα-helixtrans-67.6-20177.5-74.8176.5-175163.4-0114.1R160 K161 I162R160-R164 WeakPolarHBondContact O-CG 3.46Å; R160-R164 PolarHBondContact O-N 3.37Å; R160-R164 VanDerWaalsContact O-N 3.12Å; K161-R164 PolarHBondContact O-N 3.07Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 3.43Å
165H58.4Low68.9Low73 Ų7392.1 Ų92.134%0.33845%0.449SS..THydrogen-bonded Turntrans-112.85.4-176.8-67.1-51000113.4K161 I162 R163 H176 K177K161-H165 PolarHBondContact O-CD2 3.44Å; K161-H165 VanDerWaalsContact O-CD2 3.28Å; K161-H165 PolarHBondContact O-N 3.48Å; I162-H165 CarbonylContact O-C 3.51Å; I162-H165 PolarHBondContact O-N 2.76Å; I162-H165 VanDerWaalsContact O-N 3.15Å; R163-H165 PolarHBondContact O-N 3.37Å; H165-H176 AromaticContact CE1-NE2 3.68Å; H165-H176 AromaticContact CG-NE2 3.49Å; H165-H176 AromaticContact ND1-CD2 3.81Å; H165-H176 AromaticContact ND1-CE1 3.53Å; H165-H176 AromaticContact ND1-NE2 2.7Å; H165-H176 PolarHBondContact ND1-NE2 3.31Å; H165-H176 PolarHBondContact O-CD2 3.3Å; H165-K177 WeakPolarHBondContact CE1-CE 3.49Å; H165-K177 PolarHBondContact CE1-NZ 3.3Å; H165-K177 VanDerWaalsContact CE1-NZ 3.34Å; H165-K177 WeakPolarHBondContact ND1-CE 3.43Å; H165-K177 WeakPolarHBondContact NE2-CE 3.27Å; H165-K177 PolarHBondContact NE2-NZ 3.1Å
166R65Low69.7Low142 Ų14291.9 Ų91.954%0.53644%0.443SS..EExtended strand (participates in β ladder)trans-93.2102.1171.4-80.4174.881.6142.91.4108.6I162 F173I162-R166 HydrophobicContact CG2-CG 4.28Å; I162-R166 WeakPolarHBondContact O-CG 3.39Å; I162-R166 PolarHBondContact O-N 2.84Å; I162-R166 VanDerWaalsContact O-N 3.1Å; R166-F173 HydrophobicContact CB-CD1 4.2Å
167F74.1Confident70.5Confident68 Ų6893.6 Ų93.630%0.29844%0.441SS..EExtended strand (participates in β ladder)trans-96.9148.8170.7-71.8-105.6000108.3F173 Y174 H176F167-F173 CarbonylContact O-C 3.58Å; F167-F173 WeakPolarHBondContact O-CA 3.47Å; F167-Y174 HydrophobicContact CB-CD1 4.17Å; F167-Y174 HydrophobicContact CB-CE1 3.59Å; F167-Y174 HydrophobicContact CB-CE2 4.29Å; F167-Y174 WeakPolarHBondContact O-CD1 3.33Å; F167-Y174 PolarHBondContact O-N 3.24Å; F167-H176 HydrophobicContact CB-CB 4.15Å; F167-H176 HydrophobicContact CD1-CB 4.45Å; F167-H176 HydrophobicContact CD2-CB 3.27Å; F167-H176 AromaticContact CD2-CD2 3.24Å; F167-H176 WeakPolarHBondContact CD2-CD2 3.45Å; F167-H176 AromaticContact CD2-CG 3.25Å; F167-H176 HydrophobicContact CE2-CB 3.69Å; F167-H176 AromaticContact CE2-CD2 3.15Å; F167-H176 WeakPolarHBondContact CE2-CD2 3.44Å; F167-H176 AromaticContact CE2-CE1 3.93Å; F167-H176 AromaticContact CE2-CG 3.17Å; F167-H176 AromaticContact CE2-ND1 3.7Å; F167-H176 AromaticContact CE2-NE2 3.64Å; F167-H176 HydrophobicContact CG-CB 3.7Å; F167-H176 HydrophobicContact CZ-CB 4.42Å
168S79.6Confident71.7Confident76 Ų7693.3 Ų93.353%0.53144%0.436SS..EExtended strand (participates in β ladder)trans-122.4137.7176.259.90000110.4H172S168-H172 CarbonylContact C-O 3.52Å; S168-H172 WeakPolarHBondContact CA-O 3.33Å
169I80.1Confident72.8Confident30 Ų3090.4 Ų90.415%0.15442%0.422CS..EExtended strand (participates in β ladder)trans-120122.3170.1-175.4160.9000108.2L66 G171 H172 Y174 F210 K211L66-I169 HydrophobicContact CD1-CG2 3.82Å; I169-G171 PolarHBondContact O-N 2.91Å; I169-G171 VanDerWaalsContact O-N 3.07Å; I169-H172 PolarHBondContact N-O 3.06Å; I169-H172 PolarHBondContact O-N 2.72Å; I169-Y174 HydrophobicContact CB-CD1 4.3Å; I169-Y174 HydrophobicContact CB-CE1 4.04Å; I169-Y174 HydrophobicContact CG2-CD1 3.87Å; I169-Y174 HydrophobicContact CG2-CE1 4.09Å; I169-F210 WeakPolarHBondContact CD1-O 3.44Å; I169-F210 HydrophobicContact CG2-CD1 4.16Å; I169-K211 HydrophobicContact CD1-CB 4.31Å; I169-K211 HydrophobicContact CD1-CG 4.05Å
170N81.3Confident74Confident85 Ų8587.5 Ų87.546%0.45541%0.411SS..THydrogen-bonded Turntrans47.439.3-177.9-54.7-54.9000114.1K209 F210N170-K209 WeakPolarHBondContact ND2-CG 3.43Å; N170-K209 PolarHBondContact ND2-O 3.27Å; N170-F210 HydrophobicContact CB-CE1 3.75Å; N170-F210 HydrophobicContact CB-CZ 3.84Å
171G76.1Confident75.3Confident64 Ų6479.2 Ų79.266%0.6638%0.38SS*.THydrogen-bonded Turntrans86.1-3179.400000115.9I169I169-G171 PolarHBondContact O-N 2.91Å; I169-G171 VanDerWaalsContact O-N 3.07Å
172H76.4Confident76.3Confident27 Ų2777.6 Ų77.613%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-106.4138.7175.5-57.5-104.2000112.5W58 S168 I169 F181 F210W58-H172 AromaticContact CD1-CE1 3.65Å; W58-H172 AromaticContact NE1-CE1 3.29Å; W58-H172 PolarHBondContact NE1-CE1 3.33Å; W58-H172 VanDerWaalsContact NE1-CE1 3.29Å; W58-H172 AromaticContact NE1-NE2 3.42Å; W58-H172 PolarHBondContact NE1-NE2 2.9Å; S168-H172 CarbonylContact C-O 3.52Å; S168-H172 WeakPolarHBondContact CA-O 3.33Å; I169-H172 PolarHBondContact N-O 3.06Å; I169-H172 PolarHBondContact O-N 2.72Å; H172-F181 HydrophobicContact CB-CE2 3.34Å; H172-F181 HydrophobicContact CB-CZ 3.55Å; H172-F181 AromaticContact CG-CZ 3.81Å; H172-F210 AromaticContact CD2-CE1 3.46Å; H172-F210 VanDerWaalsContact CD2-CE1 3.46Å; H172-F210 WeakPolarHBondContact CD2-CE1 3.48Å; H172-F210 AromaticContact CD2-CZ 3.78Å; H172-F210 AromaticContact NE2-CZ 3.93Å
173F77.5Confident77.7Confident116 Ų11675.4 Ų75.451%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-82142.7-179.3-63.9-77.2000112.4R166 F167R166-F173 HydrophobicContact CB-CD1 4.2Å; F167-F173 CarbonylContact O-C 3.58Å; F167-F173 WeakPolarHBondContact O-CA 3.47Å
174Y83.5Confident79Confident57 Ų5768.7 Ų68.722%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-142.3159.3172.673.1-81.9000111.5L66 F167 I169 H176 V180L66-Y174 HydrophobicContact CD1-CD1 3.82Å; L66-Y174 HydrophobicContact CD1-CD2 3.71Å; L66-Y174 HydrophobicContact CD1-CE1 4.13Å; L66-Y174 HydrophobicContact CD1-CE2 4.02Å; L66-Y174 HydrophobicContact CD1-CG 3.6Å; F167-Y174 HydrophobicContact CB-CD1 4.17Å; F167-Y174 HydrophobicContact CB-CE1 3.59Å; F167-Y174 HydrophobicContact CB-CE2 4.29Å; F167-Y174 WeakPolarHBondContact O-CD1 3.33Å; F167-Y174 PolarHBondContact O-N 3.24Å; I169-Y174 HydrophobicContact CB-CD1 4.3Å; I169-Y174 HydrophobicContact CB-CE1 4.04Å; I169-Y174 HydrophobicContact CG2-CD1 3.87Å; I169-Y174 HydrophobicContact CG2-CE1 4.09Å; Y174-H176 HydrophobicContact CE2-CB 4.09Å; Y174-H176 PolarHBondContact O-N 3Å; Y174-V180 WeakPolarHBondContact CB-O 3.36Å
175N81.3Confident80.5Confident71 Ų7166.9 Ų66.938%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-83.8107.7174.8-178-17.9000109.2K177 T178 A179 V180N175-K177 PolarHBondContact O-N 2.97Å; N175-K177 WeakPolarHBondContact OD1-CB 3.08Å; N175-K177 PolarHBondContact OD1-N 3.43Å; N175-T178 WeakPolarHBondContact CB-OG1 3.46Å; N175-T178 VanDerWaalsContact CG-OG1 3.26Å; N175-T178 PolarHBondContact ND2-OG1 2.87Å; N175-T178 PolarHBondContact O-N 2.86Å; N175-A179 WeakPolarHBondContact O-CA 3.46Å; N175-A179 PolarHBondContact O-N 3.17Å; N175-V180 PolarHBondContact N-O 3.32Å; N175-V180 VanDerWaalsContact N-O 3.16Å
176H79.4Confident82.1Confident38 Ų3864.9 Ų64.918%0.17635%0.352CS..THydrogen-bonded Turntrans-68.5-18.8-17778.395.3000114.8M68 H165 F167 Y174M68-H176 WeakPolarHBondContact CE-O 3.41Å; H165-H176 AromaticContact CE1-NE2 3.68Å; H165-H176 AromaticContact CG-NE2 3.49Å; H165-H176 AromaticContact ND1-CD2 3.81Å; H165-H176 AromaticContact ND1-CE1 3.53Å; H165-H176 AromaticContact ND1-NE2 2.7Å; H165-H176 PolarHBondContact ND1-NE2 3.31Å; H165-H176 PolarHBondContact O-CD2 3.3Å; F167-H176 HydrophobicContact CB-CB 4.15Å; F167-H176 HydrophobicContact CD1-CB 4.45Å; F167-H176 HydrophobicContact CD2-CB 3.27Å; F167-H176 AromaticContact CD2-CD2 3.24Å; F167-H176 WeakPolarHBondContact CD2-CD2 3.45Å; F167-H176 AromaticContact CD2-CG 3.25Å; F167-H176 HydrophobicContact CE2-CB 3.69Å; F167-H176 AromaticContact CE2-CD2 3.15Å; F167-H176 WeakPolarHBondContact CE2-CD2 3.44Å; F167-H176 AromaticContact CE2-CE1 3.93Å; F167-H176 AromaticContact CE2-CG 3.17Å; F167-H176 AromaticContact CE2-ND1 3.7Å; F167-H176 AromaticContact CE2-NE2 3.64Å; F167-H176 HydrophobicContact CG-CB 3.7Å; F167-H176 HydrophobicContact CZ-CB 4.42Å; Y174-H176 HydrophobicContact CE2-CB 4.09Å; Y174-H176 PolarHBondContact O-N 3Å
177K81.6Confident83.5Confident129 Ų12959.6 Ų59.656%0.56134%0.337SS*.THydrogen-bonded Turntrans-76.4-36.6177.2-66.3-175.8-179172.30111.6H165 N175H165-K177 WeakPolarHBondContact CE1-CE 3.49Å; H165-K177 PolarHBondContact CE1-NZ 3.3Å; H165-K177 VanDerWaalsContact CE1-NZ 3.34Å; H165-K177 WeakPolarHBondContact ND1-CE 3.43Å; H165-K177 WeakPolarHBondContact NE2-CE 3.27Å; H165-K177 PolarHBondContact NE2-NZ 3.1Å; N175-K177 PolarHBondContact O-N 2.97Å; N175-K177 WeakPolarHBondContact OD1-CB 3.08Å; N175-K177 PolarHBondContact OD1-N 3.43Å
178T84.3Confident84.5Confident68 Ų6859.7 Ų59.742%0.41734%0.343SS..THydrogen-bonded Turntrans-103.7-7.5-177.461.80000112.6N175 V180N175-T178 WeakPolarHBondContact CB-OG1 3.46Å; N175-T178 VanDerWaalsContact CG-OG1 3.26Å; N175-T178 PolarHBondContact ND2-OG1 2.87Å; N175-T178 PolarHBondContact O-N 2.86Å; T178-V180 PolarHBondContact O-N 3.37Å; T178-V180 WeakPolarHBondContact OG1-CG2 3.39Å; T178-V180 PolarHBondContact OG1-N 2.89Å
179A85.2Confident85.2Confident5 Ų556.5 Ų56.54%0.04132%0.32CS..THydrogen-bonded Turntrans49.722.6-17000000114.1L66 M68 N175 F181L66-A179 HydrophobicContact CB-CB 4.45Å; L66-A179 PolarHBondContact N-O 2.92Å; L66-A179 VanDerWaalsContact O-CB 3.29Å; L66-A179 WeakPolarHBondContact O-CB 3.27Å; M68-A179 HydrophobicContact CE-CB 4.46Å; M68-A179 HydrophobicContact CG-CB 3.58Å; M68-A179 HydrophobicContact SD-CB 4.09Å; N175-A179 WeakPolarHBondContact O-CA 3.46Å; N175-A179 PolarHBondContact O-N 3.17Å; A179-F181 PolarHBondContact O-N 2.83Å
180V87.4Confident85.9Confident48 Ų4858.1 Ų58.129%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-80.1124.4179.2175.50000108.6P63 Y174 N175 T178P63-V180 HydrophobicContact CB-CG1 3.58Å; Y174-V180 WeakPolarHBondContact CB-O 3.36Å; N175-V180 PolarHBondContact N-O 3.32Å; N175-V180 VanDerWaalsContact N-O 3.16Å; T178-V180 PolarHBondContact O-N 3.37Å; T178-V180 WeakPolarHBondContact OG1-CG2 3.39Å; T178-V180 PolarHBondContact OG1-N 2.89Å
181F87.4Confident86.6Confident0 Ų054.2 Ų54.20%031%0.308CS..EExtended strand (participates in β ladder)trans-114.1128175.9178.7-129.5000110.2W58 I64 L66 H172 A179 P183 F210W58-F181 HydrophobicContact CH2-CE1 4.07Å; W58-F181 HydrophobicContact CZ2-CE1 4.14Å; W58-F181 HydrophobicContact CZ3-CE1 4.45Å; I64-F181 HydrophobicContact CD1-CD1 3.48Å; I64-F181 VanDerWaalsContact CD1-CD1 3.48Å; I64-F181 HydrophobicContact CD1-CE1 4.03Å; I64-F181 HydrophobicContact CD1-CG 4.49Å; I64-F181 HydrophobicContact CG1-CB 4.18Å; I64-F181 HydrophobicContact CG1-CD1 3.78Å; I64-F181 HydrophobicContact CG1-CG 4.35Å; I64-F181 VanDerWaalsContact CG1-O 3.27Å; I64-F181 WeakPolarHBondContact CG1-O 3.26Å; I64-F181 PolarHBondContact N-O 2.69Å; I64-F181 PolarHBondContact O-N 3.34Å; I64-F181 VanDerWaalsContact O-O 3.14Å; L66-F181 HydrophobicContact CD1-CB 4.01Å; L66-F181 HydrophobicContact CD1-CG 4.37Å; L66-F181 HydrophobicContact CD2-CB 3.55Å; L66-F181 HydrophobicContact CD2-CD1 3.84Å; L66-F181 HydrophobicContact CD2-CG 3.9Å; L66-F181 HydrophobicContact CG-CB 3.63Å; L66-F181 HydrophobicContact CG-CG 4.32Å; H172-F181 HydrophobicContact CB-CE2 3.34Å; H172-F181 HydrophobicContact CB-CZ 3.55Å; H172-F181 AromaticContact CG-CZ 3.81Å; A179-F181 PolarHBondContact O-N 2.83Å; F181-P183 HydrophobicContact CE1-CB 4.03Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.34Å; F181-P183 HydrophobicContact CZ-CB 3.69Å; F181-P183 HydrophobicContact CZ-CG 4.16Å; F181-F210 HydrophobicContact CE1-CD1 4.11Å; F181-F210 HydrophobicContact CZ-CD1 4.28Å; F181-F210 HydrophobicContact CZ-CE1 4.43Å
182T84.6Confident87.6Confident86 Ų8656.9 Ų56.953%0.52830%0.298SS..  trans-132.188.8179.2-510000107.2
183P87.1Confident88.6Confident8 Ų855.9 Ų55.95%0.05229%0.294CS..PPolyproline II helixtrans-63.3141.9177.125.3-30.9000109.4W58 L60 F181 Y185W58-P183 HydrophobicContact CB-CB 3.72Å; W58-P183 HydrophobicContact CB-CG 3.9Å; W58-P183 HydrophobicContact CD2-CB 3.6Å; W58-P183 HydrophobicContact CD2-CG 3.65Å; W58-P183 HydrophobicContact CE3-CB 4.09Å; W58-P183 HydrophobicContact CE3-CG 3.58Å; W58-P183 HydrophobicContact CG-CB 3.42Å; W58-P183 VanDerWaalsContact CG-CB 3.42Å; W58-P183 HydrophobicContact CG-CG 3.81Å; W58-P183 HydrophobicContact CZ3-CG 4.28Å; L60-P183 HydrophobicContact CD1-CG 4.05Å; F181-P183 HydrophobicContact CE1-CB 4.03Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.34Å; F181-P183 HydrophobicContact CZ-CB 3.69Å; F181-P183 HydrophobicContact CZ-CG 4.16Å; P183-Y185 PolarHBondContact O-N 3.47Å
184A88.7Confident89.6Confident67 Ų6752.5 Ų52.555%0.55428%0.281SS*.PPolyproline II helixtrans-61.9132.117400000109.4G186 S187A184-G186 PolarHBondContact O-N 2.89Å; A184-S187 VanDerWaalsContact O-CB 3.26Å; A184-S187 WeakPolarHBondContact O-CB 3.5Å; A184-S187 PolarHBondContact O-N 2.9Å; A184-S187 PolarHBondContact O-OG 2.98Å
185Y92Very high90.1Very high146 Ų14650.1 Ų50.157%0.57327%0.273SS*.THydrogen-bonded Turntrans-58.2131.5178.3-176.9-88.2000110.2P183 S187P183-Y185 PolarHBondContact O-N 3.47Å; Y185-S187 PolarHBondContact O-N 3.03Å
186G92.6Very high90.7Very high32 Ų3248.8 Ų48.833%0.3327%0.268SS..THydrogen-bonded Turntrans75.11.7-17700000114.8F57 W58 A184F57-G186 WeakPolarHBondContact CD1-O 3.43Å; W58-G186 PolarHBondContact O-N 2.95Å; A184-G186 PolarHBondContact O-N 2.89Å
187S93.3Very high91.6Very high30 Ų3048.4 Ų48.421%0.2127%0.267CS..  trans-67.5150.4166.564.70000110.4F57 W58 A184 Y185F57-S187 WeakPolarHBondContact CA-O 3.38Å; W58-S187 VanDerWaalsContact CD1-O 3.28Å; W58-S187 VanDerWaalsContact CD1-OG 3.25Å; W58-S187 PolarHBondContact N-O 2.88Å; A184-S187 VanDerWaalsContact O-CB 3.26Å; A184-S187 WeakPolarHBondContact O-CB 3.5Å; A184-S187 PolarHBondContact O-N 2.9Å; A184-S187 PolarHBondContact O-OG 2.98Å; Y185-S187 PolarHBondContact O-N 3.03Å
188V94.7Very high92.3Very high70 Ų7043.9 Ų43.942%0.42425%0.25SS..EExtended strand (participates in β ladder)trans-111.4142.5-172.767.10000110.9N55 F57N55-V188 HydrophobicContact CB-CG2 3.74Å; F57-V188 HydrophobicContact CD1-CB 4.15Å; F57-V188 HydrophobicContact CD1-CG2 4.45Å; F57-V188 HydrophobicContact CD2-CG2 4.43Å; F57-V188 HydrophobicContact CE1-CB 3.95Å; F57-V188 HydrophobicContact CE1-CG2 4.18Å; F57-V188 HydrophobicContact CE2-CG2 4.14Å; F57-V188 HydrophobicContact CZ-CB 4.27Å; F57-V188 HydrophobicContact CZ-CG2 4.01Å
189T94.9Very high92.9Very high9 Ų941 Ų416%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-132.3151.4165.4-172.80000108.9I56 W58 L206 K209 F210I56-T189 PolarHBondContact N-O 3.39Å; I56-T189 PolarHBondContact O-N 2.75Å; I56-T189 VanDerWaalsContact O-O 3.13Å; W58-T189 HydrophobicContact CZ2-CG2 3.96Å; T189-L206 HydrophobicContact CG2-CD1 3.51Å; T189-K209 PolarHBondContact OG1-NZ 3.04Å; T189-K209 VanDerWaalsContact OG1-NZ 3.09Å; T189-F210 HydrophobicContact CG2-CE2 3.86Å; T189-F210 HydrophobicContact CG2-CZ 4.22Å; T189-F210 VanDerWaalsContact OG1-CE2 3.31Å; T189-F210 WeakPolarHBondContact OG1-CE2 3.23Å; T189-F210 VanDerWaalsContact OG1-CZ 3.3Å; T189-F210 WeakPolarHBondContact OG1-CZ 3.46Å
190N95.2Very high93.5Very high64 Ų6442 Ų4234%0.34224%0.239SC..EExtended strand (participates in β ladder)trans-107.8148.417757.526.5000111.7L53 L54 K209L53-N190 HydrophobicContact CB-CB 4.31Å; L53-N190 HydrophobicContact CD2-CB 4.39Å; L54-N190 CarbonylContact O-C 3.33Å; L54-N190 VanDerWaalsContact O-CA 3.25Å; L54-N190 WeakPolarHBondContact O-CA 3.35Å; N190-K209 PolarHBondContact O-NZ 3.43Å; N190-K209 PolarHBondContact OD1-NZ 3.12Å
191V96.7Very high94Very high3 Ų343.3 Ų43.32%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-128137.4172.2-69.50000109.5L53 L54 I56 I193 V202 V205 L206 K209L53-V191 WeakPolarHBondContact CA-O 3.46Å; L54-V191 HydrophobicContact CB-CG2 4.27Å; L54-V191 PolarHBondContact N-O 3.29Å; L54-V191 PolarHBondContact O-N 3.34Å; I56-V191 HydrophobicContact CD1-CG2 3.59Å; I56-V191 HydrophobicContact CG1-CG2 4.29Å; V191-I193 HydrophobicContact CB-CG2 4.27Å; V191-I193 HydrophobicContact CG2-CG2 3.89Å; V191-I193 PolarHBondContact O-N 3.27Å; V191-V202 HydrophobicContact CG2-CG1 4.31Å; V191-V205 HydrophobicContact CB-CG1 4.19Å; V191-V205 HydrophobicContact CG1-CG1 4.31Å; V191-L206 HydrophobicContact CG1-CB 4.09Å; V191-L206 HydrophobicContact CG1-CD1 3.82Å; V191-K209 HydrophobicContact CG1-CD 4.26Å
192R96.7Very high94.5Very high120 Ų12043.3 Ų43.345%0.45324%0.242SC..EExtended strand (participates in β ladder)trans-81116.2175.1-173.379179.3177.24.8108.5E51 G52 L53E51-R192 IonicContact OE1-NH2 3.7Å; E51-R192 PolarHBondContact OE1-NH2 3.42Å; G52-R192 WeakPolarHBondContact O-CA 3.29Å; L53-R192 HydrophobicContact CD2-CB 4.04Å
193I97.8Very high95.1Very high7 Ų739.8 Ų39.84%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-140.4170-176.162.4168.1000111.1E51 G52 L54 V191 M197 V202 L240E51-I193 WeakPolarHBondContact CA-O 3.49Å; G52-I193 PolarHBondContact N-O 3.44Å; G52-I193 PolarHBondContact O-N 2.9Å; L54-I193 HydrophobicContact CB-CD1 3.58Å; L54-I193 HydrophobicContact CB-CG1 3.9Å; L54-I193 HydrophobicContact CD2-CD1 3.46Å; L54-I193 VanDerWaalsContact CD2-CD1 3.46Å; L54-I193 HydrophobicContact CG-CD1 4.12Å; V191-I193 HydrophobicContact CB-CG2 4.27Å; V191-I193 HydrophobicContact CG2-CG2 3.89Å; V191-I193 PolarHBondContact O-N 3.27Å; I193-M197 HydrophobicContact CB-SD 3.63Å; I193-M197 HydrophobicContact CG2-CE 4.07Å; I193-M197 HydrophobicContact CG2-SD 3.8Å; I193-V202 HydrophobicContact CB-CG2 4.46Å; I193-V202 HydrophobicContact CD1-CG1 4.13Å; I193-V202 HydrophobicContact CD1-CG2 3.85Å; I193-V202 HydrophobicContact CG2-CG1 4.28Å; I193-V202 HydrophobicContact CG2-CG2 4.13Å; I193-L240 HydrophobicContact CD1-CB 3.76Å; I193-L240 HydrophobicContact CD1-CD1 4.25Å; I193-L240 HydrophobicContact CD1-CG 4.47Å; I193-L240 HydrophobicContact CG1-CB 4.19Å; I193-L240 HydrophobicContact CG1-CD1 4.18Å; I193-L240 HydrophobicContact CG1-CD2 4.32Å; I193-L240 HydrophobicContact CG1-CG 4.46Å
194N96.7Very high95.6Very high45 Ų4545.3 Ų45.324%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-124.9171.6173.670.941.6000112.4I49 I50 E51 C196 M197I49-N194 HydrophobicContact CG2-CB 4.07Å; I50-N194 CarbonylContact O-C 3.52Å; I50-N194 WeakPolarHBondContact O-CA 3.39Å; I50-N194 WeakPolarHBondContact O-CB 3.3Å; E51-N194 HydrophobicContact CB-CB 4.1Å; N194-C196 VanDerWaalsContact C-N 3.26Å; N194-C196 PolarHBondContact O-N 3.19Å; N194-C196 PolarHBondContact OD1-N 2.88Å; N194-M197 WeakPolarHBondContact O-CB 3.49Å; N194-M197 PolarHBondContact O-N 3.14Å; N194-M197 WeakPolarHBondContact OD1-CG 3.38Å; N194-M197 PolarHBondContact OD1-N 3.47Å
195S95.2Very high95.9Very high6 Ų644.7 Ų44.74%0.04223%0.229CC..THydrogen-bonded Turntrans-67.7-21.7-176.449.20000114.2L48 I49 I50 M197 F238L48-S195 PolarHBondContact O-OG 3.07Å; I49-S195 WeakPolarHBondContact CA-OG 3.29Å; I50-S195 PolarHBondContact N-OG 3.46Å; I50-S195 PolarHBondContact O-N 3.09Å; S195-M197 VanDerWaalsContact C-N 3.3Å; S195-F238 WeakPolarHBondContact O-CD1 3.26Å
196C94Very high96.2Very high43 Ų4337.7 Ų37.729%0.29120%0.201SC..THydrogen-bonded Turntrans-86.3-3.9179.5-49.10000112.1E47 N194 F238E47-C196 PolarHBondContact OE1-SG 3.28Å; E47-C196 VanDerWaalsContact OE1-SG 3.36Å; N194-C196 VanDerWaalsContact C-N 3.26Å; N194-C196 PolarHBondContact O-N 3.19Å; N194-C196 PolarHBondContact OD1-N 2.88Å; C196-F238 WeakPolarHBondContact O-CE1 3.49Å
197M96.8Very high96.3Very high30 Ų3036.5 Ų36.515%0.14819%0.187CC..  trans-81.8122.8177.9-69.4-178.27400112.1I193 N194 S195 Q201 V202 V205 P239I193-M197 HydrophobicContact CB-SD 3.63Å; I193-M197 HydrophobicContact CG2-CE 4.07Å; I193-M197 HydrophobicContact CG2-SD 3.8Å; N194-M197 WeakPolarHBondContact O-CB 3.49Å; N194-M197 PolarHBondContact O-N 3.14Å; N194-M197 WeakPolarHBondContact OD1-CG 3.38Å; N194-M197 PolarHBondContact OD1-N 3.47Å; S195-M197 VanDerWaalsContact C-N 3.3Å; M197-Q201 HydrophobicContact CB-CB 4.45Å; M197-Q201 HydrophobicContact CE-CB 3.96Å; M197-V202 HydrophobicContact CB-CG2 3.84Å; M197-V202 HydrophobicContact CE-CG2 4.33Å; M197-V205 HydrophobicContact CE-CG2 3.63Å; M197-P239 WeakPolarHBondContact O-CD 3.09Å
198T97.3Very high96.3Very high34 Ų3440.1 Ų40.121%0.20920%0.204CC..  trans-74159.717357.80000112.4P200 Q201 V202 D237 F238T198-P200 VanDerWaalsContact C-CD 3.5Å; T198-Q201 WeakPolarHBondContact O-CB 3.42Å; T198-Q201 PolarHBondContact O-N 2.81Å; T198-Q201 VanDerWaalsContact OG1-CD 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-OE1 3.13Å; T198-V202 PolarHBondContact O-N 3.45Å; T198-D237 CarbonylContact C-O 3.5Å; T198-D237 VanDerWaalsContact CA-O 3.3Å; T198-D237 WeakPolarHBondContact CA-O 3.33Å; T198-F238 HydrophobicContact CG2-CD1 4.38Å; T198-F238 HydrophobicContact CG2-CE1 3.85Å; T198-F238 HydrophobicContact CG2-CZ 4.25Å
199T97.6Very high96.3Very high8 Ų839.8 Ų39.85%0.04920%0.197CC..Hα-helixtrans-46.9-48176.5-52.80000113.7Q201 V202 L203 L221 L233 K234 D237T199-Q201 VanDerWaalsContact C-N 3.31Å; T199-Q201 PolarHBondContact O-N 3.46Å; T199-V202 PolarHBondContact O-N 2.89Å; T199-L203 WeakPolarHBondContact O-CB 3.27Å; T199-L203 PolarHBondContact O-N 3.4Å; T199-L221 HydrophobicContact CG2-CB 4.1Å; T199-L221 HydrophobicContact CG2-CD1 4.02Å; T199-L221 HydrophobicContact CG2-CG 4.29Å; T199-L233 HydrophobicContact CG2-CB 3.76Å; T199-K234 WeakPolarHBondContact CB-O 3.18Å; T199-K234 PolarHBondContact OG1-O 2.67Å; T199-D237 PolarHBondContact N-O 2.99Å; T199-D237 PolarHBondContact OG1-O 2.75Å; T199-D237 VanDerWaalsContact OG1-O 3.13Å
200P97.2Very high96.1Very high27 Ų2739.3 Ų39.318%0.17519%0.194CC..Hα-helixtrans-68.7-26.1179.4-19.434000113.7T198 R204 R235T198-P200 VanDerWaalsContact C-CD 3.5Å; P200-R204 WeakPolarHBondContact O-CB 3.4Å; P200-R204 VanDerWaalsContact O-CG 3.31Å; P200-R204 WeakPolarHBondContact O-CG 3.32Å; P200-R204 PolarHBondContact O-N 3.5Å; P200-R204 PolarHBondContact O-NE 3.2Å; P200-R235 WeakPolarHBondContact CD-O 3.42Å; P200-R235 HydrophobicContact CG-CB 3.96Å; P200-R235 HydrophobicContact CG-CG 4.24Å
201Q97.6Very high95.9Very high74 Ų7441.5 Ų41.535%0.34620%0.201SC..Hα-helixtrans-73.3-46.6174.2-71.4165.4-40.100110.6M197 T198 T199 L203 R204 V205M197-Q201 HydrophobicContact CB-CB 4.45Å; M197-Q201 HydrophobicContact CE-CB 3.96Å; T198-Q201 WeakPolarHBondContact O-CB 3.42Å; T198-Q201 PolarHBondContact O-N 2.81Å; T198-Q201 VanDerWaalsContact OG1-CD 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-OE1 3.13Å; T199-Q201 VanDerWaalsContact C-N 3.31Å; T199-Q201 PolarHBondContact O-N 3.46Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.86Å; Q201-R204 VanDerWaalsContact CG-NH2 3.32Å; Q201-R204 PolarHBondContact O-N 3.06Å; Q201-V205 WeakPolarHBondContact O-CG2 3.24Å; Q201-V205 PolarHBondContact O-N 3.06Å
202V97.9Very high95.7Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-60.2-44.2176.3176.30000110.9L54 I56 V191 I193 M197 T198 T199 R204 V205 L206 L221 P239L54-V202 HydrophobicContact CD2-CG1 4.37Å; I56-V202 HydrophobicContact CD1-CG1 4.06Å; V191-V202 HydrophobicContact CG2-CG1 4.31Å; I193-V202 HydrophobicContact CB-CG2 4.46Å; I193-V202 HydrophobicContact CD1-CG1 4.13Å; I193-V202 HydrophobicContact CD1-CG2 3.85Å; I193-V202 HydrophobicContact CG2-CG1 4.28Å; I193-V202 HydrophobicContact CG2-CG2 4.13Å; M197-V202 HydrophobicContact CB-CG2 3.84Å; M197-V202 HydrophobicContact CE-CG2 4.33Å; T198-V202 PolarHBondContact O-N 3.45Å; T199-V202 PolarHBondContact O-N 2.89Å; V202-R204 PolarHBondContact O-N 3.29Å; V202-V205 PolarHBondContact O-N 3.36Å; V202-L206 PolarHBondContact O-N 3.32Å; V202-L221 HydrophobicContact CB-CD1 4.41Å; V202-L221 HydrophobicContact CG1-CD1 4.06Å; V202-P239 HydrophobicContact CB-CG 4.15Å; V202-P239 HydrophobicContact CG1-CG 4.45Å; V202-P239 HydrophobicContact CG2-CB 4.35Å; V202-P239 HydrophobicContact CG2-CG 3.9Å
203L97.3Very high95.4Very high12 Ų1242.4 Ų42.46%0.06321%0.21CC..Hα-helixtrans-57.7-48.9175.6-179.958.4000111.4T199 Q201 V205 L206 L207 P216 F219 L257T199-L203 WeakPolarHBondContact O-CB 3.27Å; T199-L203 PolarHBondContact O-N 3.4Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.86Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.41Å; L203-L206 WeakPolarHBondContact O-CB 3.39Å; L203-L206 PolarHBondContact O-N 3.29Å; L203-L206 VanDerWaalsContact O-N 3.15Å; L203-L207 HydrophobicContact CD1-CD1 4.15Å; L203-L207 HydrophobicContact CD1-CD2 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.1Å; L203-L207 HydrophobicContact CG-CD1 4.06Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 WeakPolarHBondContact O-CG 3.44Å; L203-L207 PolarHBondContact O-N 3.47Å; L203-P216 HydrophobicContact CD2-CB 4.33Å; L203-P216 WeakPolarHBondContact CD2-O 3.18Å; L203-F219 HydrophobicContact CD1-CB 4.17Å; L203-F219 HydrophobicContact CD2-CB 4.43Å; L203-L257 HydrophobicContact CD1-CD1 3.25Å
204R96.6Very high95Very high124 Ų12444.5 Ų44.547%0.46822%0.222SC..Hα-helixtrans-60.7-40176.6-78.4179.6-71165.4-5.7112.9P200 Q201 V202 L206 L207 N208P200-R204 WeakPolarHBondContact O-CB 3.4Å; P200-R204 VanDerWaalsContact O-CG 3.31Å; P200-R204 WeakPolarHBondContact O-CG 3.32Å; P200-R204 PolarHBondContact O-N 3.5Å; P200-R204 PolarHBondContact O-NE 3.2Å; Q201-R204 VanDerWaalsContact CG-NH2 3.32Å; Q201-R204 PolarHBondContact O-N 3.06Å; V202-R204 PolarHBondContact O-N 3.29Å; R204-L206 VanDerWaalsContact C-N 3.3Å; R204-L206 PolarHBondContact O-N 2.99Å; R204-L207 PolarHBondContact O-N 3.17Å; R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.46Å; R204-N208 PolarHBondContact O-ND2 2.92Å
205V96.9Very high94.8Very high54 Ų5444.8 Ų44.833%0.32723%0.227SC..Hα-helixtrans-59.8-43.7175.1168.20000110.9V191 M197 Q201 V202 L203 K209V191-V205 HydrophobicContact CB-CG1 4.19Å; V191-V205 HydrophobicContact CG1-CG1 4.31Å; M197-V205 HydrophobicContact CE-CG2 3.63Å; Q201-V205 WeakPolarHBondContact O-CG2 3.24Å; Q201-V205 PolarHBondContact O-N 3.06Å; V202-V205 PolarHBondContact O-N 3.36Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.41Å; V205-K209 WeakPolarHBondContact O-CB 3.44Å; V205-K209 PolarHBondContact O-N 2.73Å
206L96.3Very high94.7Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-63.6-50.6176.1178.863.7000112I56 W58 T189 V191 V202 L203 R204 N208 K209 F210 L257I56-L206 HydrophobicContact CB-CD2 4.34Å; I56-L206 HydrophobicContact CD1-CB 4.5Å; I56-L206 HydrophobicContact CD1-CD2 3.93Å; I56-L206 HydrophobicContact CG2-CD2 3.84Å; W58-L206 HydrophobicContact CH2-CD1 4.44Å; W58-L206 HydrophobicContact CZ2-CD1 4.41Å; T189-L206 HydrophobicContact CG2-CD1 3.51Å; V191-L206 HydrophobicContact CG1-CB 4.09Å; V191-L206 HydrophobicContact CG1-CD1 3.82Å; V202-L206 PolarHBondContact O-N 3.32Å; L203-L206 WeakPolarHBondContact O-CB 3.39Å; L203-L206 PolarHBondContact O-N 3.29Å; L203-L206 VanDerWaalsContact O-N 3.15Å; R204-L206 VanDerWaalsContact C-N 3.3Å; R204-L206 PolarHBondContact O-N 2.99Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 3.2Å; L206-K209 WeakPolarHBondContact O-CB 3.38Å; L206-K209 PolarHBondContact O-N 3.46Å; L206-F210 HydrophobicContact CD1-CD2 3.92Å; L206-F210 HydrophobicContact CD1-CE2 3.86Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.42Å; L206-L257 HydrophobicContact CD2-CB 4.26Å; L206-L257 HydrophobicContact CD2-CD1 4.29Å; L206-L257 HydrophobicContact CD2-CD2 3.91Å; L206-L257 HydrophobicContact CD2-CG 4.39Å
207L94.9Very high94.7Very high7 Ų749.3 Ų49.34%0.03725%0.251CS..Hα-helixtrans-62.2-39.9-178.8-62.5179.7000111.7L203 R204 F210 K211 I212 P216 F219 L257L203-L207 HydrophobicContact CD1-CD1 4.15Å; L203-L207 HydrophobicContact CD1-CD2 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.1Å; L203-L207 HydrophobicContact CG-CD1 4.06Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 WeakPolarHBondContact O-CG 3.44Å; L203-L207 PolarHBondContact O-N 3.47Å; R204-L207 PolarHBondContact O-N 3.17Å; L207-F210 CarbonylContact O-C 3.45Å; L207-F210 PolarHBondContact O-N 2.77Å; L207-K211 PolarHBondContact O-N 3.22Å; L207-I212 HydrophobicContact CB-CB 4.28Å; L207-I212 HydrophobicContact CD2-CB 4.1Å; L207-I212 HydrophobicContact CD2-CD1 3.45Å; L207-I212 VanDerWaalsContact CD2-CD1 3.45Å; L207-I212 HydrophobicContact CD2-CG1 4.34Å; L207-I212 HydrophobicContact CD2-CG2 4.14Å; L207-I212 PolarHBondContact O-N 2.63Å; L207-P216 HydrophobicContact CD1-CB 3.79Å; L207-F219 HydrophobicContact CD1-CD2 4.04Å; L207-F219 HydrophobicContact CD1-CE2 4.44Å; L207-F219 HydrophobicContact CD2-CD2 4Å; L207-F219 HydrophobicContact CD2-CE2 4.09Å; L207-L257 HydrophobicContact CD2-CD2 4.5Å
208N94.4Very high94.6Very high106 Ų10651.3 Ų51.357%0.56726%0.262SS*.Hα-helixtrans-67.3-38.1176.3-72.8-15.4000112.7R204 L206 F210 K211R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.46Å; R204-N208 PolarHBondContact O-ND2 2.92Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 3.2Å; N208-F210 PolarHBondContact O-N 2.9Å; N208-K211 WeakPolarHBondContact O-CD 3.26Å; N208-K211 PolarHBondContact O-N 3.39Å
209K93.6Very high94.5Very high62 Ų6250.2 Ų50.227%0.2725%0.254SS..Hα-helixtrans-56.4-39.7174.9177.9-179.6179.9-168.50110.5N170 T189 N190 V191 V205 L206N170-K209 WeakPolarHBondContact ND2-CG 3.43Å; N170-K209 PolarHBondContact ND2-O 3.27Å; T189-K209 PolarHBondContact OG1-NZ 3.04Å; T189-K209 VanDerWaalsContact OG1-NZ 3.09Å; N190-K209 PolarHBondContact O-NZ 3.43Å; N190-K209 PolarHBondContact OD1-NZ 3.12Å; V191-K209 HydrophobicContact CG1-CD 4.26Å; V205-K209 WeakPolarHBondContact O-CB 3.44Å; V205-K209 PolarHBondContact O-N 2.73Å; L206-K209 WeakPolarHBondContact O-CB 3.38Å; L206-K209 PolarHBondContact O-N 3.46Å
210F91.4Very high94.5Very high0 Ų050.2 Ų50.20%026%0.255CS..THydrogen-bonded Turntrans-95.91.8-179.2-74.6-85.6000114.5W58 L66 I169 N170 H172 F181 T189 L206 L207 N208 I212W58-F210 HydrophobicContact CH2-CD1 4.48Å; W58-F210 AromaticContact CH2-CD2 3.88Å; W58-F210 HydrophobicContact CH2-CD2 3.88Å; W58-F210 HydrophobicContact CH2-CE2 4.24Å; W58-F210 HydrophobicContact CH2-CG 4.02Å; W58-F210 HydrophobicContact CZ2-CD1 4.11Å; W58-F210 AromaticContact CZ2-CD2 3.68Å; W58-F210 HydrophobicContact CZ2-CD2 3.68Å; W58-F210 HydrophobicContact CZ2-CE1 4Å; W58-F210 AromaticContact CZ2-CE2 3.57Å; W58-F210 HydrophobicContact CZ2-CE2 3.57Å; W58-F210 AromaticContact CZ2-CG 3.96Å; W58-F210 HydrophobicContact CZ2-CG 3.96Å; W58-F210 AromaticContact CZ2-CZ 3.74Å; W58-F210 HydrophobicContact CZ2-CZ 3.74Å; L66-F210 VanDerWaalsContact CD2-O 3.27Å; L66-F210 WeakPolarHBondContact CD2-O 3.41Å; I169-F210 WeakPolarHBondContact CD1-O 3.44Å; I169-F210 HydrophobicContact CG2-CD1 4.16Å; N170-F210 HydrophobicContact CB-CE1 3.75Å; N170-F210 HydrophobicContact CB-CZ 3.84Å; H172-F210 AromaticContact CD2-CE1 3.46Å; H172-F210 VanDerWaalsContact CD2-CE1 3.46Å; H172-F210 WeakPolarHBondContact CD2-CE1 3.48Å; H172-F210 AromaticContact CD2-CZ 3.78Å; H172-F210 AromaticContact NE2-CZ 3.93Å; F181-F210 HydrophobicContact CE1-CD1 4.11Å; F181-F210 HydrophobicContact CZ-CD1 4.28Å; F181-F210 HydrophobicContact CZ-CE1 4.43Å; T189-F210 HydrophobicContact CG2-CE2 3.86Å; T189-F210 HydrophobicContact CG2-CZ 4.22Å; T189-F210 VanDerWaalsContact OG1-CE2 3.31Å; T189-F210 WeakPolarHBondContact OG1-CE2 3.23Å; T189-F210 VanDerWaalsContact OG1-CZ 3.3Å; T189-F210 WeakPolarHBondContact OG1-CZ 3.46Å; L206-F210 HydrophobicContact CD1-CD2 3.92Å; L206-F210 HydrophobicContact CD1-CE2 3.86Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.42Å; L207-F210 CarbonylContact O-C 3.45Å; L207-F210 PolarHBondContact O-N 2.77Å; N208-F210 PolarHBondContact O-N 2.9Å; F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 HydrophobicContact CB-CD1 3.91Å; F210-I212 HydrophobicContact CB-CG1 3.9Å; F210-I212 PolarHBondContact O-N 2.9Å
211K91Very high94.5Very high109 Ų10949 Ų4947%0.47425%0.247SC..THydrogen-bonded Turntrans53.345.1-177.6-54.4-62.8178.8-175.20112.2L66 Q67 I169 L207 N208L66-K211 CarbonylContact C-O 3.46Å; L66-K211 VanDerWaalsContact CA-O 3.25Å; L66-K211 WeakPolarHBondContact CA-O 3.19Å; Q67-K211 HydrophobicContact CB-CB 4.35Å; Q67-K211 PolarHBondContact N-O 2.92Å; I169-K211 HydrophobicContact CD1-CB 4.31Å; I169-K211 HydrophobicContact CD1-CG 4.05Å; L207-K211 PolarHBondContact O-N 3.22Å; N208-K211 WeakPolarHBondContact O-CD 3.26Å; N208-K211 PolarHBondContact O-N 3.39Å
212I92.4Very high94.6Very high17 Ų1745.5 Ų45.59%0.08723%0.231CC..BIsolated β-bridgetrans-75.4131-179.4-66.9168.4000109.5W58 I64 R65 L66 L207 F210 N214 F219W58-I212 HydrophobicContact CH2-CD1 4.09Å; W58-I212 HydrophobicContact CZ3-CD1 4.28Å; I64-I212 HydrophobicContact CD1-CD1 3.55Å; I64-I212 HydrophobicContact CD1-CG1 4.03Å; R65-I212 WeakPolarHBondContact O-CA 3.36Å; L66-I212 HydrophobicContact CD2-CG1 4.03Å; L207-I212 HydrophobicContact CB-CB 4.28Å; L207-I212 HydrophobicContact CD2-CB 4.1Å; L207-I212 HydrophobicContact CD2-CD1 3.45Å; L207-I212 VanDerWaalsContact CD2-CD1 3.45Å; L207-I212 HydrophobicContact CD2-CG1 4.34Å; L207-I212 HydrophobicContact CD2-CG2 4.14Å; L207-I212 PolarHBondContact O-N 2.63Å; F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 HydrophobicContact CB-CD1 3.91Å; F210-I212 HydrophobicContact CB-CG1 3.9Å; F210-I212 PolarHBondContact O-N 2.9Å; I212-N214 HydrophobicContact CG2-CB 3.82Å; I212-F219 HydrophobicContact CG2-CE2 4.22Å; I212-F219 HydrophobicContact CG2-CZ 4.35Å
213E90.4Very high94.5Very high125 Ų12545.9 Ų45.958%0.58423%0.233SC*.  trans-80.4-29.6-179.7-174.7-174-175.600112.4R65R65-E213 HydrophobicContact CB-CB 4.29Å; R65-E213 PolarHBondContact O-N 3.44Å
214N90.4Very high94.4Very high52 Ų5246.9 Ų46.928%0.27824%0.239SC..SBendtrans-58.4154.9-178.6-70.496.6000113.3R65 I212 F219R65-N214 PolarHBondContact N-OD1 3.38Å; I212-N214 HydrophobicContact CG2-CB 3.82Å; N214-F219 HydrophobicContact CB-CE2 3.55Å; N214-F219 HydrophobicContact CB-CZ 3.68Å
215S92.2Very high94.3Very high51 Ų5142.5 Ų42.536%0.35722%0.224SC..  trans-64.9139.6177.7-179.40000110D217 D218 F219S215-D217 PolarHBondContact O-N 3.29Å; S215-D217 PolarHBondContact OG-N 3.42Å; S215-D218 PolarHBondContact N-OD2 2.79Å; S215-D218 WeakPolarHBondContact O-CB 3.28Å; S215-D218 PolarHBondContact O-N 2.85Å; S215-F219 VanDerWaalsContact O-CD2 3.31Å; S215-F219 WeakPolarHBondContact O-CD2 3.43Å; S215-F219 WeakPolarHBondContact O-CE2 3.21Å
216P92.9Very high94.1Very high51 Ų5143.1 Ų43.133%0.33124%0.235SC..G310 helixtrans-59.7-24.7171.925.9-34.9000112.8L203 L207 D218 F219L203-P216 HydrophobicContact CD2-CB 4.33Å; L203-P216 WeakPolarHBondContact CD2-O 3.18Å; L207-P216 HydrophobicContact CD1-CB 3.79Å; P216-D218 PolarHBondContact O-N 2.79Å; P216-F219 PolarHBondContact O-N 2.8Å; P216-F219 VanDerWaalsContact O-O 3.07Å
217D93.8Very high93.9Very high93 Ų9345 Ų4550%0.49725%0.248SC..G310 helixtrans-75.4-11.2177.8-62.1-48.5000112.9S215 F219 R235 E260S215-D217 PolarHBondContact O-N 3.29Å; S215-D217 PolarHBondContact OG-N 3.42Å; D217-F219 PolarHBondContact O-N 2.84Å; D217-R235 IonicContact OD1-CZ 2.84Å; D217-R235 IonicContact OD1-NH1 2.79Å; D217-R235 PolarHBondContact OD1-NH1 3.38Å; D217-R235 IonicContact OD1-NH2 3.87Å; D217-E260 WeakPolarHBondContact O-CB 3.1Å
218D94.3Very high93.7Very high72 Ų7246 Ų4639%0.38526%0.26SS..G310 helixtrans-73.3-9.9171.7-60.9-24.2000111.8S215 P216 E259 E260S215-D218 PolarHBondContact N-OD2 2.79Å; S215-D218 WeakPolarHBondContact O-CB 3.28Å; S215-D218 PolarHBondContact O-N 2.85Å; P216-D218 PolarHBondContact O-N 2.79Å; D218-E259 WeakPolarHBondContact O-CA 3.43Å; D218-E260 PolarHBondContact O-N 2.84Å
219F96.1Very high93.6Very high10 Ų1043.2 Ų43.24%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-129.7152.4-173.1-49.7-76.6000112.3L60 I64 L203 L207 I212 N214 S215 P216 D217 L257 M258L60-F219 HydrophobicContact CD1-CE1 4.33Å; L60-F219 HydrophobicContact CD2-CD1 3.72Å; L60-F219 HydrophobicContact CD2-CE1 3.79Å; I64-F219 HydrophobicContact CG2-CE1 3.67Å; I64-F219 HydrophobicContact CG2-CZ 3.65Å; L203-F219 HydrophobicContact CD1-CB 4.17Å; L203-F219 HydrophobicContact CD2-CB 4.43Å; L207-F219 HydrophobicContact CD1-CD2 4.04Å; L207-F219 HydrophobicContact CD1-CE2 4.44Å; L207-F219 HydrophobicContact CD2-CD2 4Å; L207-F219 HydrophobicContact CD2-CE2 4.09Å; I212-F219 HydrophobicContact CG2-CE2 4.22Å; I212-F219 HydrophobicContact CG2-CZ 4.35Å; N214-F219 HydrophobicContact CB-CE2 3.55Å; N214-F219 HydrophobicContact CB-CZ 3.68Å; S215-F219 VanDerWaalsContact O-CD2 3.31Å; S215-F219 WeakPolarHBondContact O-CD2 3.43Å; S215-F219 WeakPolarHBondContact O-CE2 3.21Å; P216-F219 PolarHBondContact O-N 2.8Å; P216-F219 VanDerWaalsContact O-O 3.07Å; D217-F219 PolarHBondContact O-N 2.84Å; F219-L257 HydrophobicContact CB-CD1 3.79Å; F219-L257 HydrophobicContact CB-CG 4.48Å; F219-L257 HydrophobicContact CG-CD1 4.41Å; F219-M258 WeakPolarHBondContact CA-O 3.32Å
220A97.1Very high93.7Very high8 Ų842.2 Ų42.27%0.06624%0.238CC..EExtended strand (participates in β ladder)trans-140.1157.516800000111.8Y222 K232 M258 E260A220-Y222 HydrophobicContact CB-CD2 4.39Å; A220-Y222 HydrophobicContact CB-CE2 3.62Å; A220-K232 HydrophobicContact CB-CG 4.34Å; A220-M258 PolarHBondContact N-O 2.81Å; A220-M258 PolarHBondContact O-N 3.12Å; A220-E260 WeakPolarHBondContact CB-OE2 3.48Å
221L97.9Very high93.9Very high1 Ų145 Ų451%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-92135.5172.7-64.8179.7000109.8I56 T199 V202 L233 P239 V255 F256 L257I56-L221 HydrophobicContact CD1-CD2 4.46Å; I56-L221 HydrophobicContact CG2-CD2 4.11Å; T199-L221 HydrophobicContact CG2-CB 4.1Å; T199-L221 HydrophobicContact CG2-CD1 4.02Å; T199-L221 HydrophobicContact CG2-CG 4.29Å; V202-L221 HydrophobicContact CB-CD1 4.41Å; V202-L221 HydrophobicContact CG1-CD1 4.06Å; L221-L233 HydrophobicContact CB-CB 4.27Å; L221-L233 HydrophobicContact CB-CD1 3.86Å; L221-L233 HydrophobicContact CB-CG 4.25Å; L221-L233 WeakPolarHBondContact O-CB 3.5Å; L221-L233 PolarHBondContact O-N 3.35Å; L221-P239 HydrophobicContact CD1-CG 4.28Å; L221-V255 HydrophobicContact CD2-CG1 4.45Å; L221-F256 CarbonylContact C-O 3.47Å; L221-F256 VanDerWaalsContact CA-O 3.27Å; L221-F256 WeakPolarHBondContact CA-O 3.43Å; L221-L257 HydrophobicContact CD2-CB 4.26Å; L221-L257 HydrophobicContact CD2-CD1 3.9Å
222Y97.7Very high94.2Very high1 Ų142.4 Ų42.40%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-125.2138.5179.3-68.4-97.2000110.4A220 R230 V231 K232 V255 F256 M258 G263A220-Y222 HydrophobicContact CB-CD2 4.39Å; A220-Y222 HydrophobicContact CB-CE2 3.62Å; Y222-R230 HydrophobicContact CD1-CG 3.81Å; Y222-R230 HydrophobicContact CG-CG 4.33Å; Y222-V231 CarbonylContact C-O 3.6Å; Y222-V231 VanDerWaalsContact CA-O 3.32Å; Y222-V231 WeakPolarHBondContact CA-O 3.41Å; Y222-K232 HydrophobicContact CD1-CB 3.84Å; Y222-K232 HydrophobicContact CD1-CG 4.31Å; Y222-K232 HydrophobicContact CE1-CB 3.49Å; Y222-K232 VanDerWaalsContact CE1-CB 3.49Å; Y222-K232 HydrophobicContact CE1-CD 4.17Å; Y222-K232 HydrophobicContact CE1-CG 3.75Å; Y222-V255 CarbonylContact O-C 3.5Å; Y222-V255 WeakPolarHBondContact O-CA 3.36Å; Y222-F256 PolarHBondContact N-O 3.33Å; Y222-F256 PolarHBondContact O-N 2.93Å; Y222-M258 HydrophobicContact CD2-CB 3.73Å; Y222-M258 HydrophobicContact CD2-CG 3.94Å; Y222-M258 HydrophobicContact CD2-SD 4.07Å; Y222-M258 HydrophobicContact CE2-CB 3.82Å; Y222-M258 HydrophobicContact CE2-CG 4.5Å; Y222-M258 HydrophobicContact CG-SD 4.23Å; Y222-G263 WeakPolarHBondContact OH-CA 3.34Å; Y222-G263 PolarHBondContact OH-O 3.16Å; Y222-G263 VanDerWaalsContact OH-O 3.09Å
223L96.7Very high94.3Very high8 Ų842 Ų424%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-86122.2162.3-71168.8000108.3R230 V231 L233 L242 Q246 V255L223-R230 CarbonylContact O-C 3.58Å; L223-R230 WeakPolarHBondContact O-CA 3.31Å; L223-V231 PolarHBondContact N-O 2.99Å; L223-V231 PolarHBondContact O-N 2.99Å; L223-L233 HydrophobicContact CD1-CD2 3.58Å; L223-L233 HydrophobicContact CG-CD2 3.7Å; L223-L233 HydrophobicContact CG-CG 4.38Å; L223-L242 HydrophobicContact CD1-CB 4.48Å; L223-L242 HydrophobicContact CD1-CD1 4.39Å; L223-Q246 HydrophobicContact CD1-CG 4.46Å; L223-V255 HydrophobicContact CD2-CG2 3.84Å
224V95.8Very high94.6Very high33 Ų3342.1 Ų42.120%0.224%0.24CC..EExtended strand (participates in β ladder)trans-116.9118.5177.6-176.70000108.6E229 R230 C253 K254 F256 M258V224-E229 WeakPolarHBondContact CA-O 3.3Å; V224-R230 HydrophobicContact CG2-CB 4.48Å; V224-R230 HydrophobicContact CG2-CG 4.01Å; V224-C253 CarbonylContact O-C 3.59Å; V224-C253 WeakPolarHBondContact O-CA 3.2Å; V224-K254 PolarHBondContact N-O 2.87Å; V224-K254 PolarHBondContact O-N 2.93Å; V224-F256 HydrophobicContact CB-CD2 3.78Å; V224-F256 HydrophobicContact CB-CE2 3.99Å; V224-F256 HydrophobicContact CG1-CE2 4.46Å; V224-F256 HydrophobicContact CG2-CB 4.35Å; V224-F256 HydrophobicContact CG2-CD2 3.53Å; V224-F256 HydrophobicContact CG2-CE2 4.13Å; V224-F256 HydrophobicContact CG2-CG 4.2Å; V224-M258 HydrophobicContact CG2-CE 3.84Å
225H94.9Very high94.8Very high33 Ų3347.7 Ų47.715%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-93.4156.4178.3-75.9-113.2000111.7S227 G228 E229 Q246 V252 C253H225-S227 WeakPolarHBondContact CB-OG 3.42Å; H225-S227 PolarHBondContact O-N 3.39Å; H225-G228 PolarHBondContact O-N 3.44Å; H225-E229 HydrophobicContact CB-CB 4.2Å; H225-E229 PolarHBondContact N-O 2.87Å; H225-Q246 PolarHBondContact CE1-OE1 2.66Å; H225-V252 CarbonylContact C-O 3.54Å; H225-V252 VanDerWaalsContact CA-O 3.31Å; H225-V252 WeakPolarHBondContact CA-O 3.44Å; H225-C253 PolarHBondContact NE2-SG 3.32Å; H225-C253 VanDerWaalsContact NE2-SG 3.43Å
226A92.8Very high95Very high66 Ų6647.8 Ų47.855%0.54526%0.255SS..THydrogen-bonded Turntrans-60.9-23.4174.800000113.7G228 Q251 V252A226-G228 PolarHBondContact O-N 2.95Å; A226-Q251 VanDerWaalsContact CB-O 3.27Å; A226-Q251 WeakPolarHBondContact CB-O 3.31Å; A226-V252 PolarHBondContact N-O 3.2Å
227S91.1Very high95.1Very high41 Ų4146.2 Ų46.229%0.28725%0.245SC..THydrogen-bonded Turntrans-62.7-23.3171.655.10000112.6H225 E229H225-S227 WeakPolarHBondContact CB-OG 3.42Å; H225-S227 PolarHBondContact O-N 3.39Å; S227-E229 WeakPolarHBondContact OG-CB 3.46Å; S227-E229 PolarHBondContact OG-N 3.5Å
228G89.9Confident95.3Very high27 Ų2742.8 Ų42.828%0.27823%0.225SC..SBendtrans98.2-4.5-168.800000113.2H225 A226 R230 V266 A271H225-G228 PolarHBondContact O-N 3.44Å; A226-G228 PolarHBondContact O-N 2.95Å; G228-R230 PolarHBondContact O-N 3.23Å; G228-V266 WeakPolarHBondContact O-CG1 3.25Å; G228-A271 VanDerWaalsContact C-CB 3.43Å
229E93.8Very high95.4Very high48 Ų4839.4 Ų39.422%0.22421%0.207CC..  trans-62.3133.1172.9179.4-178.1-158.600109.8V224 H225 S227 V231 V266 A271V224-E229 WeakPolarHBondContact CA-O 3.3Å; H225-E229 HydrophobicContact CB-CB 4.2Å; H225-E229 PolarHBondContact N-O 2.87Å; S227-E229 WeakPolarHBondContact OG-CB 3.46Å; S227-E229 PolarHBondContact OG-N 3.5Å; E229-V231 HydrophobicContact CG-CG2 3.95Å; E229-V266 WeakPolarHBondContact CA-O 3.47Å; E229-V266 WeakPolarHBondContact CG-O 3.31Å; E229-A271 HydrophobicContact CB-CB 4.45Å
230R95Very high95.5Very high41 Ų4139 Ų3916%0.15521%0.205CC..EExtended strand (participates in β ladder)trans-133.3113.3-179.5178.9168.157.9-178.9-4.6109.3Y222 L223 V224 G228 E264 E265 V266Y222-R230 HydrophobicContact CD1-CG 3.81Å; Y222-R230 HydrophobicContact CG-CG 4.33Å; L223-R230 CarbonylContact O-C 3.58Å; L223-R230 WeakPolarHBondContact O-CA 3.31Å; V224-R230 HydrophobicContact CG2-CB 4.48Å; V224-R230 HydrophobicContact CG2-CG 4.01Å; G228-R230 PolarHBondContact O-N 3.23Å; R230-E264 PolarHBondContact NE-O 3Å; R230-E264 PolarHBondContact NH2-O 3.31Å; R230-E265 WeakPolarHBondContact O-CA 3.5Å; R230-V266 HydrophobicContact CB-CB 4.1Å; R230-V266 HydrophobicContact CB-CG2 4.37Å; R230-V266 PolarHBondContact N-O 3.09Å; R230-V266 PolarHBondContact O-N 3.48Å
231V95.6Very high95.4Very high57 Ų5738.7 Ų38.735%0.34520%0.202SC..EExtended strand (participates in β ladder)trans-116.4126.8-176.8-1780000109.4Y222 L223 E229Y222-V231 CarbonylContact C-O 3.6Å; Y222-V231 VanDerWaalsContact CA-O 3.32Å; Y222-V231 WeakPolarHBondContact CA-O 3.41Å; L223-V231 PolarHBondContact N-O 2.99Å; L223-V231 PolarHBondContact O-N 2.99Å; E229-V231 HydrophobicContact CG-CG2 3.95Å
232K96.6Very high95.4Very high56 Ų5639.8 Ų39.824%0.24321%0.208CC..EExtended strand (participates in β ladder)trans-73.4134.1173.4-171.6177171.4172.50110.7A220 Y222 E260 E265A220-K232 HydrophobicContact CB-CG 4.34Å; Y222-K232 HydrophobicContact CD1-CB 3.84Å; Y222-K232 HydrophobicContact CD1-CG 4.31Å; Y222-K232 HydrophobicContact CE1-CB 3.49Å; Y222-K232 VanDerWaalsContact CE1-CB 3.49Å; Y222-K232 HydrophobicContact CE1-CD 4.17Å; Y222-K232 HydrophobicContact CE1-CG 3.75Å; K232-E260 WeakPolarHBondContact CE-OE2 3.3Å; K232-E260 IonicContact NZ-OE1 2.73Å; K232-E260 PolarHBondContact NZ-OE1 3.37Å; K232-E260 IonicContact NZ-OE2 2.94Å; K232-E260 PolarHBondContact NZ-OE2 3.19Å; K232-E265 HydrophobicContact CB-CG 4.05Å; K232-E265 WeakPolarHBondContact CB-OE1 3.18Å
233L96Very high95.3Very high9 Ų939.8 Ų39.85%0.04721%0.208CC..PPolyproline II helixtrans-75.6129.5172.2-63.1-170.2000110.4T199 L221 L223 P239 L242T199-L233 HydrophobicContact CG2-CB 3.76Å; L221-L233 HydrophobicContact CB-CB 4.27Å; L221-L233 HydrophobicContact CB-CD1 3.86Å; L221-L233 HydrophobicContact CB-CG 4.25Å; L221-L233 WeakPolarHBondContact O-CB 3.5Å; L221-L233 PolarHBondContact O-N 3.35Å; L223-L233 HydrophobicContact CD1-CD2 3.58Å; L223-L233 HydrophobicContact CG-CD2 3.7Å; L223-L233 HydrophobicContact CG-CG 4.38Å; L233-P239 HydrophobicContact CD1-CB 4.04Å; L233-P239 HydrophobicContact CD1-CG 3.99Å; L233-L242 HydrophobicContact CD2-CD1 3.41Å; L233-L242 VanDerWaalsContact CD2-CD1 3.41Å
234K95.3Very high95.3Very high127 Ų12739.4 Ų39.455%0.55221%0.207SC*.PPolyproline II helixtrans-74160.8177.5-57.5-177.7-180-170.50110.5T199 T236 D237T199-K234 WeakPolarHBondContact CB-O 3.18Å; T199-K234 PolarHBondContact OG1-O 2.67Å; K234-T236 PolarHBondContact O-N 3.12Å; K234-D237 VanDerWaalsContact CB-OD2 3.3Å; K234-D237 WeakPolarHBondContact CB-OD2 3.17Å; K234-D237 PolarHBondContact N-OD2 2.68Å; K234-D237 WeakPolarHBondContact O-CB 3.45Å; K234-D237 PolarHBondContact O-N 2.78Å; K234-D237 VanDerWaalsContact O-N 3.15Å
235R95.4Very high95.3Very high168 Ų16840.1 Ų40.163%0.63421%0.208SC*.THydrogen-bonded Turntrans-61.5-25.9177.2-61.9-179.877.6101.1-5.6113P200 D217P200-R235 WeakPolarHBondContact CD-O 3.42Å; P200-R235 HydrophobicContact CG-CB 3.96Å; P200-R235 HydrophobicContact CG-CG 4.24Å; D217-R235 IonicContact OD1-CZ 2.84Å; D217-R235 IonicContact OD1-NH1 2.79Å; D217-R235 PolarHBondContact OD1-NH1 3.38Å; D217-R235 IonicContact OD1-NH2 3.87Å
236T95.9Very high95.3Very high53 Ų5342 Ų4233%0.32522%0.217SC..THydrogen-bonded Turntrans-94.8-3.5-179.3490000113.8G11 E12 K234 F238G11-T236 WeakPolarHBondContact CA-O 3.33Å; E12-T236 HydrophobicContact CB-CG2 4.38Å; K234-T236 PolarHBondContact O-N 3.12Å; T236-F238 WeakPolarHBondContact O-CE2 3.1Å
237D96.2Very high95.5Very high19 Ų1939.6 Ų39.610%0.10220%0.199CC..  trans-80.2158.4179.3-68.2-22.5000111.5T198 T199 K234 P239 L242T198-D237 CarbonylContact C-O 3.5Å; T198-D237 VanDerWaalsContact CA-O 3.3Å; T198-D237 WeakPolarHBondContact CA-O 3.33Å; T199-D237 PolarHBondContact N-O 2.99Å; T199-D237 PolarHBondContact OG1-O 2.75Å; T199-D237 VanDerWaalsContact OG1-O 3.13Å; K234-D237 VanDerWaalsContact CB-OD2 3.3Å; K234-D237 WeakPolarHBondContact CB-OD2 3.17Å; K234-D237 PolarHBondContact N-OD2 2.68Å; K234-D237 WeakPolarHBondContact O-CB 3.45Å; K234-D237 PolarHBondContact O-N 2.78Å; K234-D237 VanDerWaalsContact O-N 3.15Å; D237-P239 WeakPolarHBondContact O-CD 3.38Å; D237-L242 HydrophobicContact CB-CD1 3.85Å
238F96.8Very high95.7Very high21 Ų2138.4 Ų38.49%0.09219%0.19CC..  trans-113.398.6179.7-60.3-89.2000110.4Q9 I10 S195 C196 T198 T236 L240 V241 L242Q9-F238 HydrophobicContact CB-CE2 3.98Å; Q9-F238 HydrophobicContact CB-CZ 4.5Å; Q9-F238 HydrophobicContact CG-CE2 3.76Å; Q9-F238 HydrophobicContact CG-CZ 4.45Å; Q9-F238 WeakPolarHBondContact O-CD2 3.35Å; I10-F238 PolarHBondContact O-N 3.15Å; S195-F238 WeakPolarHBondContact O-CD1 3.26Å; C196-F238 WeakPolarHBondContact O-CE1 3.49Å; T198-F238 HydrophobicContact CG2-CD1 4.38Å; T198-F238 HydrophobicContact CG2-CE1 3.85Å; T198-F238 HydrophobicContact CG2-CZ 4.25Å; T236-F238 WeakPolarHBondContact O-CE2 3.1Å; F238-L240 VanDerWaalsContact C-N 3.32Å; F238-L240 PolarHBondContact O-N 3.43Å; F238-V241 HydrophobicContact CB-CB 4.06Å; F238-V241 HydrophobicContact CB-CG2 3.85Å; F238-V241 PolarHBondContact O-N 2.8Å; F238-V241 VanDerWaalsContact O-N 3.12Å; F238-L242 PolarHBondContact O-N 2.86Å
239P97.3Very high96Very high1 Ų138.7 Ų38.71%0.00619%0.188CC..Hα-helixtrans-58.2-36.1-170-28.635.6000115L54 M197 V202 L221 L233 D237 R243L54-P239 HydrophobicContact CD2-CB 3.97Å; M197-P239 WeakPolarHBondContact O-CD 3.09Å; V202-P239 HydrophobicContact CB-CG 4.15Å; V202-P239 HydrophobicContact CG1-CG 4.45Å; V202-P239 HydrophobicContact CG2-CB 4.35Å; V202-P239 HydrophobicContact CG2-CG 3.9Å; L221-P239 HydrophobicContact CD1-CG 4.28Å; L233-P239 HydrophobicContact CD1-CB 4.04Å; L233-P239 HydrophobicContact CD1-CG 3.99Å; D237-P239 WeakPolarHBondContact O-CD 3.38Å; P239-R243 WeakPolarHBondContact O-CB 3.46Å; P239-R243 PolarHBondContact O-N 3.02Å
240L97.3Very high96.1Very high1 Ų137.6 Ų37.61%0.00518%0.183CC..Hα-helixtrans-67.3-43.3178.5-170.664000111.4L39 I50 L54 I193 F238 R243 V244L39-L240 HydrophobicContact CD1-CD1 4.13Å; L39-L240 HydrophobicContact CD2-CD1 4.07Å; I50-L240 HydrophobicContact CG2-CD2 4.27Å; I50-L240 WeakPolarHBondContact O-CD2 3.45Å; L54-L240 HydrophobicContact CB-CD1 4.43Å; I193-L240 HydrophobicContact CD1-CB 3.76Å; I193-L240 HydrophobicContact CD1-CD1 4.25Å; I193-L240 HydrophobicContact CD1-CG 4.47Å; I193-L240 HydrophobicContact CG1-CB 4.19Å; I193-L240 HydrophobicContact CG1-CD1 4.18Å; I193-L240 HydrophobicContact CG1-CD2 4.32Å; I193-L240 HydrophobicContact CG1-CG 4.46Å; F238-L240 VanDerWaalsContact C-N 3.32Å; F238-L240 PolarHBondContact O-N 3.43Å; L240-R243 WeakPolarHBondContact O-CB 3.27Å; L240-R243 PolarHBondContact O-N 3.4Å; L240-V244 WeakPolarHBondContact O-CG2 3.47Å; L240-V244 PolarHBondContact O-N 2.85Å
241V96.3Very high96Very high1 Ų142.8 Ų42.81%0.00621%0.209CC..Hα-helixtrans-64.1-45.9178.8-176.80000109.9I10 I21 F238 R243 V244 I245I10-V241 HydrophobicContact CB-CG1 4.44Å; I10-V241 HydrophobicContact CG1-CG1 3.86Å; I10-V241 HydrophobicContact CG2-CG1 4.26Å; I21-V241 HydrophobicContact CD1-CG1 3.87Å; F238-V241 HydrophobicContact CB-CB 4.06Å; F238-V241 HydrophobicContact CB-CG2 3.85Å; F238-V241 PolarHBondContact O-N 2.8Å; F238-V241 VanDerWaalsContact O-N 3.12Å; V241-R243 VanDerWaalsContact C-N 3.29Å; V241-R243 PolarHBondContact O-N 3.09Å; V241-V244 PolarHBondContact O-N 3.12Å; V241-I245 HydrophobicContact CG1-CD1 4.01Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 2.91Å
242L96.3Very high96Very high24 Ų2443.7 Ų43.713%0.12621%0.214CC..Hα-helixtrans-58.6-42.1174.2-72.7176.4000111.7I10 L223 L233 D237 F238 V244 I245 Q246I10-L242 HydrophobicContact CG2-CD2 3.39Å; I10-L242 HydrophobicContact CG2-CG 3.95Å; L223-L242 HydrophobicContact CD1-CB 4.48Å; L223-L242 HydrophobicContact CD1-CD1 4.39Å; L233-L242 HydrophobicContact CD2-CD1 3.41Å; L233-L242 VanDerWaalsContact CD2-CD1 3.41Å; D237-L242 HydrophobicContact CB-CD1 3.85Å; F238-L242 PolarHBondContact O-N 2.86Å; L242-V244 PolarHBondContact O-N 3Å; L242-I245 PolarHBondContact O-N 3.49Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.44Å; L242-Q246 PolarHBondContact O-N 2.92Å
243R96.7Very high96Very high1 Ų141 Ų410%0.00420%0.203CC..Hα-helixtrans-61.7-42.7176.9-178.958.1-178.9164-7.3112.3Y28 L54 P239 L240 V241 I245 Q246 G247 P248 E250 C253Y28-R243 HydrophobicContact CE2-CG 4.05Å; L54-R243 HydrophobicContact CD1-CB 3.72Å; L54-R243 HydrophobicContact CD1-CG 3.61Å; P239-R243 WeakPolarHBondContact O-CB 3.46Å; P239-R243 PolarHBondContact O-N 3.02Å; L240-R243 WeakPolarHBondContact O-CB 3.27Å; L240-R243 PolarHBondContact O-N 3.4Å; V241-R243 VanDerWaalsContact C-N 3.29Å; V241-R243 PolarHBondContact O-N 3.09Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 3.41Å; R243-Q246 PolarHBondContact O-N 3.06Å; R243-G247 PolarHBondContact NE-O 3.13Å; R243-G247 PolarHBondContact NH1-O 3.3Å; R243-G247 PolarHBondContact O-N 3.21Å; R243-P248 PolarHBondContact NH2-O 3.25Å; R243-P248 VanDerWaalsContact NH2-O 3.1Å; R243-E250 IonicContact CZ-OE1 3.87Å; R243-E250 IonicContact CZ-OE2 3.5Å; R243-E250 IonicContact NE-OE1 3Å; R243-E250 IonicContact NH2-OE1 3.32Å; R243-E250 PolarHBondContact NH2-OE1 3.23Å; R243-E250 IonicContact NH2-OE2 2.77Å; R243-E250 PolarHBondContact NH2-OE2 3.5Å; R243-C253 PolarHBondContact NH1-O 3.26Å; R243-C253 PolarHBondContact NH2-O 2.75Å
244V96.7Very high96Very high1 Ų143.5 Ų43.51%0.00621%0.213CC..Hα-helixtrans-61.1-42.6176.9171.40000111.1I21 H24 L25 L39 L240 V241 L242 G247I21-V244 HydrophobicContact CD1-CB 4.25Å; I21-V244 HydrophobicContact CD1-CG1 3.81Å; I21-V244 HydrophobicContact CG1-CG1 4.49Å; H24-V244 HydrophobicContact CB-CG1 3.7Å; L25-V244 HydrophobicContact CB-CG1 4.23Å; L39-V244 HydrophobicContact CD1-CG2 3.39Å; L240-V244 WeakPolarHBondContact O-CG2 3.47Å; L240-V244 PolarHBondContact O-N 2.85Å; V241-V244 PolarHBondContact O-N 3.12Å; L242-V244 PolarHBondContact O-N 3Å; V244-G247 PolarHBondContact O-N 2.93Å
245I95.9Very high96.2Very high47 Ų4737.5 Ų37.524%0.24119%0.187CC..Hα-helixtrans-67.1-43.8179.1-65.4164.8000111.5I10 I16 I21 V241 L242 R243 G247I10-I245 HydrophobicContact CD1-CD1 3.51Å; I10-I245 HydrophobicContact CG1-CD1 3.93Å; I10-I245 HydrophobicContact CG2-CD1 3.98Å; I16-I245 HydrophobicContact CD1-CD1 4.22Å; I16-I245 HydrophobicContact CD1-CG1 4.29Å; I21-I245 HydrophobicContact CD1-CD1 4.31Å; I21-I245 HydrophobicContact CD1-CG1 3.85Å; V241-I245 HydrophobicContact CG1-CD1 4.01Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 2.91Å; L242-I245 PolarHBondContact O-N 3.49Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 3.41Å; I245-G247 PolarHBondContact O-N 3.33Å
246Q95.4Very high96.3Very high73 Ų7330.1 Ų30.134%0.34116%0.159SC..Hα-helixtrans-71.6-15.1178-63.5-59-12.600113.3L223 H225 L242 R243 C253L223-Q246 HydrophobicContact CD1-CG 4.46Å; H225-Q246 PolarHBondContact CE1-OE1 2.66Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.44Å; L242-Q246 PolarHBondContact O-N 2.92Å; R243-Q246 PolarHBondContact O-N 3.06Å; Q246-C253 HydrophobicContact CB-CB 4.22Å
247G95.9Very high96.3Very high16 Ų1627.6 Ų27.617%0.16514%0.144CC..  trans92.2172.5177.100000114.4R243 V244 I245R243-G247 PolarHBondContact NE-O 3.13Å; R243-G247 PolarHBondContact NH1-O 3.3Å; R243-G247 PolarHBondContact O-N 3.21Å; V244-G247 PolarHBondContact O-N 2.93Å; I245-G247 PolarHBondContact O-N 3.33Å
248P96.1Very high96.4Very high15 Ų1527.1 Ų27.110%0.09714%0.141CC..SBendtrans-83.9-19.5-169.331.5-36.6000115Y28 Y31 Y32 R243 E250Y28-P248 HydrophobicContact CD1-CB 4.36Å; Y28-P248 HydrophobicContact CD2-CB 3.59Å; Y28-P248 HydrophobicContact CD2-CG 4.26Å; Y28-P248 HydrophobicContact CE1-CB 4.41Å; Y28-P248 VanDerWaalsContact CE2-CA 3.41Å; Y28-P248 HydrophobicContact CE2-CB 3.66Å; Y28-P248 HydrophobicContact CG-CB 3.95Å; Y31-P248 HydrophobicContact CD1-CB 3.58Å; Y31-P248 HydrophobicContact CD1-CG 3.84Å; Y31-P248 HydrophobicContact CD2-CG 4.01Å; Y31-P248 HydrophobicContact CE1-CB 4.3Å; Y31-P248 HydrophobicContact CG-CB 3.76Å; Y31-P248 HydrophobicContact CG-CG 3.45Å; Y31-P248 VanDerWaalsContact CG-CG 3.45Å; Y32-P248 HydrophobicContact CD2-CB 3.8Å; Y32-P248 HydrophobicContact CE2-CB 3.33Å; Y32-P248 PolarHBondContact OH-O 3.26Å; R243-P248 PolarHBondContact NH2-O 3.25Å; R243-P248 VanDerWaalsContact NH2-O 3.1Å; P248-E250 PolarHBondContact O-N 3.07Å
249C95.6Very high96.3Very high33 Ų3326.3 Ų26.322%0.22314%0.138CC..  trans-77112.6-170.3-173.90000111.8Y31 Q251 V252 C253Y31-C249 HydrophobicContact CE2-CB 4.24Å; C249-Q251 PolarHBondContact O-N 2.8Å; C249-V252 HydrophobicContact CB-CB 4.37Å; C249-V252 HydrophobicContact CB-CG2 4.03Å; C249-V252 PolarHBondContact O-N 2.76Å; C249-C253 PolarHBondContact O-N 2.93Å
250E95.3Very high96.1Very high25 Ų2529.9 Ų29.912%0.11716%0.155CC..THydrogen-bonded Turntrans-65.6-16.7176.1-59-59.4163.600113.2N55 F57 R243 P248 V252 K254N55-E250 PolarHBondContact ND2-OE1 2.92Å; F57-E250 HydrophobicContact CE2-CG 4.32Å; F57-E250 VanDerWaalsContact CE2-OE2 3.27Å; F57-E250 WeakPolarHBondContact CE2-OE2 3.32Å; F57-E250 HydrophobicContact CZ-CB 4.23Å; F57-E250 HydrophobicContact CZ-CG 4.1Å; R243-E250 IonicContact CZ-OE1 3.87Å; R243-E250 IonicContact CZ-OE2 3.5Å; R243-E250 IonicContact NE-OE1 3Å; R243-E250 IonicContact NH2-OE1 3.32Å; R243-E250 PolarHBondContact NH2-OE1 3.23Å; R243-E250 IonicContact NH2-OE2 2.77Å; R243-E250 PolarHBondContact NH2-OE2 3.5Å; P248-E250 PolarHBondContact O-N 3.07Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.15Å; E250-K254 HydrophobicContact CB-CG 4.4Å; E250-K254 WeakPolarHBondContact O-CE 3.19Å; E250-K254 WeakPolarHBondContact O-CG 3.38Å
251Q94.4Very high95.9Very high150 Ų15034.8 Ų34.870%0.70118%0.181SC*.THydrogen-bonded Turntrans-75.8-16.5173.6-56.5-59.6-17.600112.7A226 C249A226-Q251 VanDerWaalsContact CB-O 3.27Å; A226-Q251 WeakPolarHBondContact CB-O 3.31Å; C249-Q251 PolarHBondContact O-N 2.8Å
252V94.8Very high95.5Very high77 Ų7738 Ų3847%0.46720%0.197SC..THydrogen-bonded Turntrans-99-47.7-178.1175.60000111.2H225 A226 C249 E250H225-V252 CarbonylContact C-O 3.54Å; H225-V252 VanDerWaalsContact CA-O 3.31Å; H225-V252 WeakPolarHBondContact CA-O 3.44Å; A226-V252 PolarHBondContact N-O 3.2Å; C249-V252 HydrophobicContact CB-CB 4.37Å; C249-V252 HydrophobicContact CB-CG2 4.03Å; C249-V252 PolarHBondContact O-N 2.76Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.15Å
253C96.1Very high94.8Very high0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-146.2139.4-178.1-178.70000109.2V224 H225 R243 Q246 C249V224-C253 CarbonylContact O-C 3.59Å; V224-C253 WeakPolarHBondContact O-CA 3.2Å; H225-C253 PolarHBondContact NE2-SG 3.32Å; H225-C253 VanDerWaalsContact NE2-SG 3.43Å; R243-C253 PolarHBondContact NH1-O 3.26Å; R243-C253 PolarHBondContact NH2-O 2.75Å; Q246-C253 HydrophobicContact CB-CB 4.22Å; C249-C253 PolarHBondContact O-N 2.93Å
254K97.2Very high94.3Very high61 Ų6144 Ų4427%0.26523%0.228SC..EExtended strand (participates in β ladder)trans-130.3146.2178.1-63.9-178.2-176177.30110F57 V224 E250 F256F57-K254 HydrophobicContact CD1-CD 4.23Å; F57-K254 HydrophobicContact CD2-CB 3.84Å; F57-K254 HydrophobicContact CD2-CD 4.21Å; F57-K254 HydrophobicContact CD2-CG 4.18Å; F57-K254 HydrophobicContact CE1-CD 4.06Å; F57-K254 HydrophobicContact CE2-CB 3.98Å; F57-K254 HydrophobicContact CE2-CD 4.04Å; F57-K254 HydrophobicContact CE2-CG 3.89Å; F57-K254 HydrophobicContact CG-CB 4.49Å; F57-K254 HydrophobicContact CG-CD 4.31Å; F57-K254 HydrophobicContact CZ-CD 3.96Å; F57-K254 HydrophobicContact CZ-CG 4.19Å; V224-K254 PolarHBondContact N-O 2.87Å; V224-K254 PolarHBondContact O-N 2.93Å; E250-K254 HydrophobicContact CB-CG 4.4Å; E250-K254 WeakPolarHBondContact O-CE 3.19Å; E250-K254 WeakPolarHBondContact O-CG 3.38Å; K254-F256 HydrophobicContact CB-CD2 3.84Å; K254-F256 HydrophobicContact CB-CE2 3.51Å; K254-F256 HydrophobicContact CD-CE2 3.76Å; K254-F256 HydrophobicContact CD-CZ 4.07Å; K254-F256 HydrophobicContact CG-CE2 4.25Å
255V97.9Very high94Very high1 Ų149.8 Ų49.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-94.4120.9169.4-174.40000108.6L54 I56 F57 L221 Y222 L223L54-V255 HydrophobicContact CD1-CG2 4.27Å; I56-V255 CarbonylContact C-O 3.6Å; I56-V255 WeakPolarHBondContact CA-O 3.32Å; I56-V255 HydrophobicContact CG1-CG1 4.44Å; F57-V255 WeakPolarHBondContact CD2-O 3.44Å; F57-V255 PolarHBondContact N-O 3.16Å; L221-V255 HydrophobicContact CD2-CG1 4.45Å; Y222-V255 CarbonylContact O-C 3.5Å; Y222-V255 WeakPolarHBondContact O-CA 3.36Å; L223-V255 HydrophobicContact CD2-CG2 3.84Å
256F97.7Very high93.9Very high12 Ų1248 Ų485%0.05325%0.247CC..EExtended strand (participates in β ladder)trans-111.9143.7179.2-83.8-94.3000111.9F57 L221 Y222 V224 K254 M258F57-F256 HydrophobicContact CB-CD1 3.46Å; F57-F256 VanDerWaalsContact CB-CD1 3.46Å; F57-F256 HydrophobicContact CB-CD2 4.13Å; F57-F256 HydrophobicContact CB-CE1 3.41Å; F57-F256 VanDerWaalsContact CB-CE1 3.41Å; F57-F256 HydrophobicContact CB-CE2 4.1Å; F57-F256 HydrophobicContact CB-CG 3.84Å; F57-F256 HydrophobicContact CB-CZ 3.75Å; F57-F256 HydrophobicContact CG-CE1 4.31Å; F57-F256 HydrophobicContact CG-CE2 4.44Å; F57-F256 HydrophobicContact CG-CZ 4.2Å; F57-F256 CarbonylContact O-C 3.59Å; F57-F256 VanDerWaalsContact O-CA 3.29Å; F57-F256 WeakPolarHBondContact O-CA 3.49Å; L221-F256 CarbonylContact C-O 3.47Å; L221-F256 VanDerWaalsContact CA-O 3.27Å; L221-F256 WeakPolarHBondContact CA-O 3.43Å; Y222-F256 PolarHBondContact N-O 3.33Å; Y222-F256 PolarHBondContact O-N 2.93Å; V224-F256 HydrophobicContact CB-CD2 3.78Å; V224-F256 HydrophobicContact CB-CE2 3.99Å; V224-F256 HydrophobicContact CG1-CE2 4.46Å; V224-F256 HydrophobicContact CG2-CB 4.35Å; V224-F256 HydrophobicContact CG2-CD2 3.53Å; V224-F256 HydrophobicContact CG2-CE2 4.13Å; V224-F256 HydrophobicContact CG2-CG 4.2Å; K254-F256 HydrophobicContact CB-CD2 3.84Å; K254-F256 HydrophobicContact CB-CE2 3.51Å; K254-F256 HydrophobicContact CD-CE2 3.76Å; K254-F256 HydrophobicContact CD-CZ 4.07Å; K254-F256 HydrophobicContact CG-CE2 4.25Å; F256-M258 HydrophobicContact CB-CE 3.59Å; F256-M258 HydrophobicContact CB-CG 4.12Å; F256-M258 HydrophobicContact CD1-CE 4Å; F256-M258 HydrophobicContact CD2-CE 4.34Å; F256-M258 HydrophobicContact CG-CE 3.74Å
257L97.4Very high93.7Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-90.7121.2160.1-177.175.3000109I56 F57 W58 G59 L60 L203 L206 L207 F219 L221I56-L257 HydrophobicContact CG2-CB 4.1Å; F57-L257 PolarHBondContact O-N 3.46Å; W58-L257 HydrophobicContact CE3-CD2 3.73Å; W58-L257 HydrophobicContact CH2-CD2 4.32Å; W58-L257 HydrophobicContact CZ3-CD2 3.37Å; G59-L257 CarbonylContact C-O 3.48Å; G59-L257 WeakPolarHBondContact CA-O 3.48Å; G59-L257 PolarHBondContact N-O 3.34Å; L60-L257 HydrophobicContact CD1-CD2 4.42Å; L60-L257 HydrophobicContact CD2-CG 4.47Å; L203-L257 HydrophobicContact CD1-CD1 3.25Å; L206-L257 HydrophobicContact CD2-CB 4.26Å; L206-L257 HydrophobicContact CD2-CD1 4.29Å; L206-L257 HydrophobicContact CD2-CD2 3.91Å; L206-L257 HydrophobicContact CD2-CG 4.39Å; L207-L257 HydrophobicContact CD2-CD2 4.5Å; F219-L257 HydrophobicContact CB-CD1 3.79Å; F219-L257 HydrophobicContact CB-CG 4.48Å; F219-L257 HydrophobicContact CG-CD1 4.41Å; L221-L257 HydrophobicContact CD2-CB 4.26Å; L221-L257 HydrophobicContact CD2-CD1 3.9Å
258M96.6Very high93.4Very high9 Ų953.8 Ų53.84%0.04427%0.27CS..EExtended strand (participates in β ladder)trans-131.4163.1177.6-57.9-174.1177.800110.5F219 A220 Y222 V224 F256F219-M258 WeakPolarHBondContact CA-O 3.32Å; A220-M258 PolarHBondContact N-O 2.81Å; A220-M258 PolarHBondContact O-N 3.12Å; Y222-M258 HydrophobicContact CD2-CB 3.73Å; Y222-M258 HydrophobicContact CD2-CG 3.94Å; Y222-M258 HydrophobicContact CD2-SD 4.07Å; Y222-M258 HydrophobicContact CE2-CB 3.82Å; Y222-M258 HydrophobicContact CE2-CG 4.5Å; Y222-M258 HydrophobicContact CG-SD 4.23Å; V224-M258 HydrophobicContact CG2-CE 3.84Å; F256-M258 HydrophobicContact CB-CE 3.59Å; F256-M258 HydrophobicContact CB-CG 4.12Å; F256-M258 HydrophobicContact CD1-CE 4Å; F256-M258 HydrophobicContact CD2-CE 4.34Å; F256-M258 HydrophobicContact CG-CE 3.74Å
259E95.1Very high93Very high5 Ų558.3 Ų58.32%0.02329%0.294CS..EExtended strand (participates in β ladder)trans-67.3138171.2-55.697.8138.300111.4L60 R61 R62 D218 D261 L262 G263L60-E259 WeakPolarHBondContact CA-OE2 3.19Å; L60-E259 HydrophobicContact CD2-CG 4Å; R61-E259 PolarHBondContact N-OE1 3.3Å; R61-E259 PolarHBondContact N-OE2 3.02Å; R62-E259 WeakPolarHBondContact CB-OE1 3.34Å; R62-E259 PolarHBondContact N-OE1 3.28Å; R62-E259 IonicContact NE-OE1 2.71Å; D218-E259 WeakPolarHBondContact O-CA 3.43Å; E259-D261 VanDerWaalsContact C-N 3.29Å; E259-D261 VanDerWaalsContact CB-OD1 3.26Å; E259-D261 WeakPolarHBondContact CB-OD1 3.41Å; E259-D261 PolarHBondContact O-N 3.4Å; E259-L262 HydrophobicContact CB-CB 4.36Å; E259-L262 HydrophobicContact CB-CD1 4.47Å; E259-L262 HydrophobicContact CB-CG 4.47Å; E259-L262 PolarHBondContact O-N 2.84Å; E259-G263 PolarHBondContact O-N 3.15Å
260E94.2Very high92.8Very high76 Ų7660.4 Ų60.436%0.35531%0.305SS..THydrogen-bonded Turntrans-62-35.1-176.7175.869.5165.800112.8D217 D218 A220 K232D217-E260 WeakPolarHBondContact O-CB 3.1Å; D218-E260 PolarHBondContact O-N 2.84Å; A220-E260 WeakPolarHBondContact CB-OE2 3.48Å; K232-E260 WeakPolarHBondContact CE-OE2 3.3Å; K232-E260 IonicContact NZ-OE1 2.73Å; K232-E260 PolarHBondContact NZ-OE1 3.37Å; K232-E260 IonicContact NZ-OE2 2.94Å; K232-E260 PolarHBondContact NZ-OE2 3.19Å
261D92.4Very high92.5Very high103 Ų10359.3 Ų59.355%0.55130%0.3SS*.THydrogen-bonded Turntrans-81.2-19.6-178.763.1-30.8000114.1R62 E259R62-D261 IonicContact CZ-OD1 2.97Å; R62-D261 IonicContact CZ-OD2 3.85Å; R62-D261 VanDerWaalsContact CZ-OD2 3.29Å; R62-D261 IonicContact NH1-OD1 3Å; R62-D261 IonicContact NH1-OD2 3.02Å; R62-D261 PolarHBondContact NH1-OD2 3.1Å; R62-D261 IonicContact NH2-OD1 3.94Å; R62-D261 PolarHBondContact NH2-OD1 2.91Å; R62-D261 IonicContact NH2-OD2 3.45Å; R62-D261 PolarHBondContact NH2-OD2 3.34Å; E259-D261 VanDerWaalsContact C-N 3.29Å; E259-D261 VanDerWaalsContact CB-OD1 3.26Å; E259-D261 WeakPolarHBondContact CB-OD1 3.41Å; E259-D261 PolarHBondContact O-N 3.4Å
262L88.2Confident92.2Very high68 Ų6856.9 Ų56.936%0.35629%0.289SS..THydrogen-bonded Turntrans-107.4-13.6-178.6-62.4178.8000113.5R61 E259 E264R61-L262 HydrophobicContact CB-CD1 4.35Å; E259-L262 HydrophobicContact CB-CB 4.36Å; E259-L262 HydrophobicContact CB-CD1 4.47Å; E259-L262 HydrophobicContact CB-CG 4.47Å; E259-L262 PolarHBondContact O-N 2.84Å; L262-E264 PolarHBondContact O-N 3.41Å
263G80.5Confident92Very high13 Ų1358.6 Ų58.613%0.13429%0.288CS..  trans-74.584.9-17900000112.5Y222 E259Y222-G263 WeakPolarHBondContact OH-CA 3.34Å; Y222-G263 PolarHBondContact OH-O 3.16Å; Y222-G263 VanDerWaalsContact OH-O 3.09Å; E259-G263 PolarHBondContact O-N 3.15Å
264E86.3Confident91.6Very high138 Ų13863.1 Ų63.165%0.64531%0.311SS*.  trans-77.4124.6177.1179.3178.7-159.100111.7R230 L262 V266R230-E264 PolarHBondContact NE-O 3Å; R230-E264 PolarHBondContact NH2-O 3.31Å; L262-E264 PolarHBondContact O-N 3.41Å; E264-V266 PolarHBondContact O-N 2.78Å
265E91.5Very high91Very high124 Ų12468 Ų6858%0.57933%0.333SS*.  trans-67.5133.4173.5-69.5-177-176.800110.8R230 K232R230-E265 WeakPolarHBondContact O-CA 3.5Å; K232-E265 HydrophobicContact CB-CG 4.05Å; K232-E265 WeakPolarHBondContact CB-OE1 3.18Å
266V92.6Very high90.7Very high9 Ų972.3 Ų72.36%0.05535%0.351CS..BIsolated β-bridgetrans-122.6116.2178.1176.60000107.6G228 E229 R230 E264 V270 A271 I274G228-V266 WeakPolarHBondContact O-CG1 3.25Å; E229-V266 WeakPolarHBondContact CA-O 3.47Å; E229-V266 WeakPolarHBondContact CG-O 3.31Å; R230-V266 HydrophobicContact CB-CB 4.1Å; R230-V266 HydrophobicContact CB-CG2 4.37Å; R230-V266 PolarHBondContact N-O 3.09Å; R230-V266 PolarHBondContact O-N 3.48Å; E264-V266 PolarHBondContact O-N 2.78Å; V266-V270 HydrophobicContact CG1-CB 4.29Å; V266-V270 HydrophobicContact CG1-CG1 4.23Å; V266-A271 HydrophobicContact CG1-CB 3.87Å; V266-I274 HydrophobicContact CB-CD1 4.18Å; V266-I274 HydrophobicContact CG1-CD1 3.39Å; V266-I274 HydrophobicContact CG1-CG1 4.47Å; V266-I274 HydrophobicContact CG2-CD1 3.76Å
267T91.8Very high90.4Very high81 Ų8178.7 Ų78.750%0.49738%0.381SS..  trans-73.7159.6174.361.60000111.3D269 V270 A271T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.33Å; T267-V270 PolarHBondContact O-N 3.28Å; T267-V270 VanDerWaalsContact O-N 3.14Å; T267-V270 VanDerWaalsContact OG1-CG2 3.31Å; T267-V270 WeakPolarHBondContact OG1-CG2 3.38Å; T267-A271 WeakPolarHBondContact O-CB 3.39Å; T267-A271 PolarHBondContact O-N 2.95Å
268Y89.2Confident90.2Very high129 Ų12984.6 Ų84.651%0.50641%0.41SS..Hα-helixtrans-53.3-41176.7-178.8-96.5000113.7A271Y268-A271 PolarHBondContact O-N 2.88Å
269D88.7Confident90.2Very high111 Ų11188.1 Ų88.159%0.59443%0.434SS*.Hα-helixtrans-67.8-38.1-180-62.2-31.9000111.8T267 Y273T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.33Å; D269-Y273 WeakPolarHBondContact O-CD2 3.45Å; D269-Y273 WeakPolarHBondContact O-CE2 3.3Å
270V90.4Very high90.3Very high77 Ų7790.4 Ų90.447%0.46745%0.448SS..Hα-helixtrans-74.7-35.2178.5176.30000111.3V266 T267 Q272 Y273V266-V270 HydrophobicContact CG1-CB 4.29Å; V266-V270 HydrophobicContact CG1-CG1 4.23Å; T267-V270 PolarHBondContact O-N 3.28Å; T267-V270 VanDerWaalsContact O-N 3.14Å; T267-V270 VanDerWaalsContact OG1-CG2 3.31Å; T267-V270 WeakPolarHBondContact OG1-CG2 3.38Å; V270-Q272 PolarHBondContact O-N 2.75Å; V270-Q272 VanDerWaalsContact O-N 3.11Å; V270-Y273 WeakPolarHBondContact O-CB 3.49Å; V270-Y273 PolarHBondContact O-N 2.58Å
271A90.4Very high90.3Very high1 Ų188.7 Ų88.71%0.00844%0.441CS..Hα-helixtrans-54.9-33.4-177.900000113.3G228 E229 V266 T267 Y268 Y273 I274G228-A271 VanDerWaalsContact C-CB 3.43Å; E229-A271 HydrophobicContact CB-CB 4.45Å; V266-A271 HydrophobicContact CG1-CB 3.87Å; T267-A271 WeakPolarHBondContact O-CB 3.39Å; T267-A271 PolarHBondContact O-N 2.95Å; Y268-A271 PolarHBondContact O-N 2.88Å; A271-Y273 PolarHBondContact O-N 2.99Å; A271-I274 PolarHBondContact O-N 3.39Å
272Q88.1Confident90.5Very high99 Ų9989.2 Ų89.246%0.46344%0.44SS..THydrogen-bonded Turntrans-61.4-27.8177.3-63.1174.348.600112.5V270 F276V270-Q272 PolarHBondContact O-N 2.75Å; V270-Q272 VanDerWaalsContact O-N 3.11Å; Q272-F276 WeakPolarHBondContact O-CE2 3.45Å
273Y90.4Very high90.9Very high113 Ų11388.1 Ų88.144%0.44344%0.438SS..THydrogen-bonded Turntrans-91.3-19.5-175.7-61.2-77.3000114.1D269 V270 A271 K275 F276 L281 F284D269-Y273 WeakPolarHBondContact O-CD2 3.45Å; D269-Y273 WeakPolarHBondContact O-CE2 3.3Å; V270-Y273 WeakPolarHBondContact O-CB 3.49Å; V270-Y273 PolarHBondContact O-N 2.58Å; A271-Y273 PolarHBondContact O-N 2.99Å; Y273-K275 PolarHBondContact O-N 3.49Å; Y273-K275 VanDerWaalsContact O-N 3.08Å; Y273-F276 HydrophobicContact CD1-CD2 4.16Å; Y273-F276 HydrophobicContact CD1-CE2 4.23Å; Y273-F276 PolarHBondContact O-N 2.85Å; Y273-L281 HydrophobicContact CD1-CD2 4.2Å; Y273-L281 HydrophobicContact CG-CD2 4.44Å; Y273-F284 HydrophobicContact CD1-CD2 4.17Å; Y273-F284 HydrophobicContact CD1-CE2 4.24Å; Y273-F284 HydrophobicContact CE1-CD2 4.28Å; Y273-F284 HydrophobicContact CE1-CE2 4.46Å
274I86.9Confident91.6Very high96 Ų9690.7 Ų90.749%0.49245%0.446SS..THydrogen-bonded Turntrans-59.4-26.8-176.5-68.9-177.3000112.6V266 A271 F276V266-I274 HydrophobicContact CB-CD1 4.18Å; V266-I274 HydrophobicContact CG1-CD1 3.39Å; V266-I274 HydrophobicContact CG1-CG1 4.47Å; V266-I274 HydrophobicContact CG2-CD1 3.76Å; A271-I274 PolarHBondContact O-N 3.39Å; I274-F276 VanDerWaalsContact C-N 3.29Å; I274-F276 PolarHBondContact O-N 2.92Å
275K84.8Confident92.1Very high164 Ų16489.6 Ų89.671%0.71344%0.443SS*.THydrogen-bonded Turntrans-79.2-10.1-179.4-61.7-179.1-177.1176.40113.4Y273Y273-K275 PolarHBondContact O-N 3.49Å; Y273-K275 VanDerWaalsContact O-N 3.08Å
276F91Very high92.4Very high91 Ų9187.2 Ų87.240%0.39944%0.437SS..SBendtrans-91.8145.3179.8-61.7-62.9000112Q272 Y273 I274 V280 L281 F284Q272-F276 WeakPolarHBondContact O-CE2 3.45Å; Y273-F276 HydrophobicContact CD1-CD2 4.16Å; Y273-F276 HydrophobicContact CD1-CE2 4.23Å; Y273-F276 PolarHBondContact O-N 2.85Å; I274-F276 VanDerWaalsContact C-N 3.29Å; I274-F276 PolarHBondContact O-N 2.92Å; F276-V280 HydrophobicContact CB-CB 4.2Å; F276-V280 HydrophobicContact CB-CG1 4.13Å; F276-V280 HydrophobicContact CD1-CG1 4.01Å; F276-V280 HydrophobicContact CG-CG1 4.16Å; F276-L281 HydrophobicContact CB-CD2 3.85Å; F276-L281 HydrophobicContact CB-CG 4.03Å; F276-L281 HydrophobicContact CD2-CD2 4.25Å; F276-F284 AromaticContact CD2-CE2 3.71Å; F276-F284 HydrophobicContact CD2-CE2 3.71Å; F276-F284 HydrophobicContact CD2-CZ 4.39Å; F276-F284 AromaticContact CE2-CE2 3.95Å; F276-F284 HydrophobicContact CE2-CE2 3.95Å; F276-F284 HydrophobicContact CE2-CZ 4.3Å; F276-F284 HydrophobicContact CG-CE2 4.08Å; F276-F284 HydrophobicContact CZ-CE2 4.48Å; F276-F284 HydrophobicContact CZ-CZ 4.4Å
277E91.8Very high92.6Very high145 Ų14593.2 Ų93.268%0.67846%0.463SS*.  trans-69.7154.5172.8-60.2-174165.900111.7P279 V280 L281E277-P279 VanDerWaalsContact C-CD 3.41Å; E277-P279 VanDerWaalsContact C-N 3.34Å; E277-V280 WeakPolarHBondContact O-CB 3.35Å; E277-V280 PolarHBondContact O-N 3.02Å; E277-L281 PolarHBondContact O-N 2.78Å; E277-L281 VanDerWaalsContact O-N 3.07Å
278M94.5Very high92.9Very high125 Ų12595.2 Ų95.262%0.61647%0.47SS*.Hα-helixtrans-52.5-40.8-178.4-161.358.95900114.5V280 L281 Q282M278-V280 VanDerWaalsContact C-N 3.33Å; M278-V280 PolarHBondContact O-N 2.91Å; M278-L281 PolarHBondContact O-N 2.94Å; M278-L281 HydrophobicContact SD-CD1 4.39Å; M278-Q282 VanDerWaalsContact O-CG 3.32Å; M278-Q282 WeakPolarHBondContact O-CG 3.45Å; M278-Q282 PolarHBondContact O-N 3.49Å
279P95.9Very high93.3Very high82 Ų8295.3 Ų95.353%0.53247%0.473SS..Hα-helixtrans-64-35.7176.4-22.334.9000113.3E277 Q282 S283E277-P279 VanDerWaalsContact C-CD 3.41Å; E277-P279 VanDerWaalsContact C-N 3.34Å; P279-Q282 PolarHBondContact O-N 3.36Å; P279-S283 PolarHBondContact O-N 3.28Å
280V96.3Very high93.8Very high53 Ų5394.7 Ų94.732%0.32147%0.466SS..Hα-helixtrans-67.8-44.4177.3179.90000109.7F276 E277 M278 Q282 S283 F284F276-V280 HydrophobicContact CB-CB 4.2Å; F276-V280 HydrophobicContact CB-CG1 4.13Å; F276-V280 HydrophobicContact CD1-CG1 4.01Å; F276-V280 HydrophobicContact CG-CG1 4.16Å; E277-V280 WeakPolarHBondContact O-CB 3.35Å; E277-V280 PolarHBondContact O-N 3.02Å; M278-V280 VanDerWaalsContact C-N 3.33Å; M278-V280 PolarHBondContact O-N 2.91Å; V280-Q282 VanDerWaalsContact C-N 3.34Å; V280-Q282 PolarHBondContact O-N 3.49Å; V280-S283 WeakPolarHBondContact O-CB 3.48Å; V280-S283 PolarHBondContact O-N 2.77Å; V280-S283 VanDerWaalsContact O-N 3.09Å; V280-S283 PolarHBondContact O-OG 3.06Å; V280-F284 HydrophobicContact CG1-CE1 4.32Å; V280-F284 HydrophobicContact CG1-CE2 3.74Å; V280-F284 HydrophobicContact CG1-CZ 3.63Å; V280-F284 PolarHBondContact O-N 2.94Å; V280-F284 VanDerWaalsContact O-N 3.12Å
281L95.4Very high94.2Very high40 Ų4095.1 Ų95.121%0.20946%0.463CS..Hα-helixtrans-59.8-43.5174.9-64.5175.5000112Y273 F276 E277 M278 S283 F284 I285Y273-L281 HydrophobicContact CD1-CD2 4.2Å; Y273-L281 HydrophobicContact CG-CD2 4.44Å; F276-L281 HydrophobicContact CB-CD2 3.85Å; F276-L281 HydrophobicContact CB-CG 4.03Å; F276-L281 HydrophobicContact CD2-CD2 4.25Å; E277-L281 PolarHBondContact O-N 2.78Å; E277-L281 VanDerWaalsContact O-N 3.07Å; M278-L281 PolarHBondContact O-N 2.94Å; M278-L281 HydrophobicContact SD-CD1 4.39Å; L281-S283 VanDerWaalsContact C-N 3.28Å; L281-S283 PolarHBondContact O-N 3.09Å; L281-F284 HydrophobicContact CD2-CD2 4.16Å; L281-F284 HydrophobicContact CD2-CE2 4.4Å; L281-F284 WeakPolarHBondContact O-CB 3.35Å; L281-F284 PolarHBondContact O-N 3.06Å; L281-F284 VanDerWaalsContact O-N 3.16Å; L281-I285 WeakPolarHBondContact O-CG1 3.4Å; L281-I285 PolarHBondContact O-N 3.45Å; L281-I285 VanDerWaalsContact O-N 3.13Å
282Q96Very high94.5Very high115 Ų115101.1 Ų101.154%0.53749%0.491SS..Hα-helixtrans-58.4-41.4173.8-74.4174.5-5.600111.5M278 P279 V280 F284 I285 T286M278-Q282 VanDerWaalsContact O-CG 3.32Å; M278-Q282 WeakPolarHBondContact O-CG 3.45Å; M278-Q282 PolarHBondContact O-N 3.49Å; P279-Q282 PolarHBondContact O-N 3.36Å; V280-Q282 VanDerWaalsContact C-N 3.34Å; V280-Q282 PolarHBondContact O-N 3.49Å; Q282-F284 VanDerWaalsContact C-N 3.31Å; Q282-F284 PolarHBondContact O-N 2.79Å; Q282-I285 PolarHBondContact O-N 3.15Å; Q282-T286 PolarHBondContact O-N 3.03Å; Q282-T286 PolarHBondContact O-OG1 3.26Å; Q282-T286 VanDerWaalsContact O-OG1 3.13Å
283S96.9Very high95Very high44 Ų44100.4 Ų100.431%0.30849%0.49SS..Hα-helixtrans-62.8-35.8177.485.10000113.1P279 V280 L281 T286 K287P279-S283 PolarHBondContact O-N 3.28Å; V280-S283 WeakPolarHBondContact O-CB 3.48Å; V280-S283 PolarHBondContact O-N 2.77Å; V280-S283 VanDerWaalsContact O-N 3.09Å; V280-S283 PolarHBondContact O-OG 3.06Å; L281-S283 VanDerWaalsContact C-N 3.28Å; L281-S283 PolarHBondContact O-N 3.09Å; S283-T286 PolarHBondContact O-N 3.13Å; S283-K287 WeakPolarHBondContact O-CG 3.43Å; S283-K287 PolarHBondContact O-N 2.91Å
284F95.3Very high95.4Very high67 Ų67101.4 Ų101.429%0.29449%0.493SS..Hα-helixtrans-65.1-45.6174.3-61.6-38.3000111.2Y273 F276 V280 L281 Q282 T286 K287 L288Y273-F284 HydrophobicContact CD1-CD2 4.17Å; Y273-F284 HydrophobicContact CD1-CE2 4.24Å; Y273-F284 HydrophobicContact CE1-CD2 4.28Å; Y273-F284 HydrophobicContact CE1-CE2 4.46Å; F276-F284 AromaticContact CD2-CE2 3.71Å; F276-F284 HydrophobicContact CD2-CE2 3.71Å; F276-F284 HydrophobicContact CD2-CZ 4.39Å; F276-F284 AromaticContact CE2-CE2 3.95Å; F276-F284 HydrophobicContact CE2-CE2 3.95Å; F276-F284 HydrophobicContact CE2-CZ 4.3Å; F276-F284 HydrophobicContact CG-CE2 4.08Å; F276-F284 HydrophobicContact CZ-CE2 4.48Å; F276-F284 HydrophobicContact CZ-CZ 4.4Å; V280-F284 HydrophobicContact CG1-CE1 4.32Å; V280-F284 HydrophobicContact CG1-CE2 3.74Å; V280-F284 HydrophobicContact CG1-CZ 3.63Å; V280-F284 PolarHBondContact O-N 2.94Å; V280-F284 VanDerWaalsContact O-N 3.12Å; L281-F284 HydrophobicContact CD2-CD2 4.16Å; L281-F284 HydrophobicContact CD2-CE2 4.4Å; L281-F284 WeakPolarHBondContact O-CB 3.35Å; L281-F284 PolarHBondContact O-N 3.06Å; L281-F284 VanDerWaalsContact O-N 3.16Å; Q282-F284 VanDerWaalsContact C-N 3.31Å; Q282-F284 PolarHBondContact O-N 2.79Å; F284-T286 VanDerWaalsContact C-N 3.33Å; F284-T286 PolarHBondContact O-N 3.21Å; F284-K287 PolarHBondContact O-N 3.39Å; F284-L288 WeakPolarHBondContact O-CB 3.44Å; F284-L288 VanDerWaalsContact O-CG 3.3Å; F284-L288 WeakPolarHBondContact O-CG 3.33Å; F284-L288 PolarHBondContact O-N 3.25Å
285I96.3Very high95.9Very high115 Ų115100.9 Ų100.959%0.5949%0.489SS*.Hα-helixtrans-59.4-46.1177.3-64.5169.8000110.5L281 Q282 K287 L288 K289L281-I285 WeakPolarHBondContact O-CG1 3.4Å; L281-I285 PolarHBondContact O-N 3.45Å; L281-I285 VanDerWaalsContact O-N 3.13Å; Q282-I285 PolarHBondContact O-N 3.15Å; I285-K287 PolarHBondContact O-N 3.17Å; I285-L288 PolarHBondContact O-N 3.24Å; I285-K289 WeakPolarHBondContact O-CB 3.44Å; I285-K289 PolarHBondContact O-N 3.36Å
286T97.8Very high96.5Very high75 Ų7597 Ų9746%0.4648%0.478SS..Hα-helixtrans-59.4-48.4177.6-59.40000111.5Q282 S283 F284 L288 K289 E290Q282-T286 PolarHBondContact O-N 3.03Å; Q282-T286 PolarHBondContact O-OG1 3.26Å; Q282-T286 VanDerWaalsContact O-OG1 3.13Å; S283-T286 PolarHBondContact O-N 3.13Å; F284-T286 VanDerWaalsContact C-N 3.33Å; F284-T286 PolarHBondContact O-N 3.21Å; T286-L288 PolarHBondContact O-N 3.36Å; T286-K289 PolarHBondContact O-N 2.97Å; T286-E290 WeakPolarHBondContact O-CG 3.27Å; T286-E290 PolarHBondContact O-N 3.48Å
287K97.8Very high96.9Very high135 Ų13597 Ų9759%0.58748%0.482SS*.Hα-helixtrans-64.1-39.5179.7-74.2179.1-177.9178.90112.9S283 F284 I285 K289 E290 E291S283-K287 WeakPolarHBondContact O-CG 3.43Å; S283-K287 PolarHBondContact O-N 2.91Å; F284-K287 PolarHBondContact O-N 3.39Å; I285-K287 PolarHBondContact O-N 3.17Å; K287-K289 VanDerWaalsContact C-N 3.34Å; K287-E290 PolarHBondContact O-N 3.46Å; K287-E291 PolarHBondContact O-N 2.92Å
288L97.5Very high97.2Very high123 Ų12395.9 Ų95.964%0.64448%0.475SS*.Hα-helixtrans-63.8-42176.4-74171.2000111.1F284 I285 T286 E291 E292F284-L288 WeakPolarHBondContact O-CB 3.44Å; F284-L288 VanDerWaalsContact O-CG 3.3Å; F284-L288 WeakPolarHBondContact O-CG 3.33Å; F284-L288 PolarHBondContact O-N 3.25Å; I285-L288 PolarHBondContact O-N 3.24Å; T286-L288 PolarHBondContact O-N 3.36Å; L288-E291 PolarHBondContact O-N 3.02Å; L288-E292 WeakPolarHBondContact O-CB 3.14Å; L288-E292 PolarHBondContact O-N 2.93Å
289K98.1Very high97.4Very high131 Ų13195.6 Ų95.657%0.5748%0.475SS*.Hα-helixtrans-63.7-43.5176.1-172.6176.1-179.8178.20112.3I285 T286 K287 E291 E292 D293I285-K289 WeakPolarHBondContact O-CB 3.44Å; I285-K289 PolarHBondContact O-N 3.36Å; T286-K289 PolarHBondContact O-N 2.97Å; K287-K289 VanDerWaalsContact C-N 3.34Å; K289-E291 VanDerWaalsContact C-N 3.31Å; K289-E291 PolarHBondContact O-N 3.39Å; K289-E292 PolarHBondContact O-N 2.89Å; K289-D293 WeakPolarHBondContact O-CB 3.33Å; K289-D293 PolarHBondContact O-N 2.85Å
290E97.9Very high97.5Very high98 Ų9899.7 Ų99.746%0.45848%0.48SS..Hα-helixtrans-61.3-39.3175.3-72.7174.3-173.600112.4T286 K287 R294T286-E290 WeakPolarHBondContact O-CG 3.27Å; T286-E290 PolarHBondContact O-N 3.48Å; K287-E290 PolarHBondContact O-N 3.46Å; E290-R294 WeakPolarHBondContact O-CG 3.24Å; E290-R294 PolarHBondContact O-N 2.96Å
291E98.2Very high97.5Very high85 Ų85105.8 Ų105.840%0.39750%0.498SS..Hα-helixtrans-68.5-42.5176.3-174.661.6-162.600112K287 L288 K289 R294 E295K287-E291 PolarHBondContact O-N 2.92Å; L288-E291 PolarHBondContact O-N 3.02Å; K289-E291 VanDerWaalsContact C-N 3.31Å; K289-E291 PolarHBondContact O-N 3.39Å; E291-R294 WeakPolarHBondContact O-CB 3.34Å; E291-R294 PolarHBondContact O-N 2.98Å; E291-R294 IonicContact OE2-CZ 3.16Å; E291-R294 IonicContact OE2-NE 2.89Å; E291-R294 PolarHBondContact OE2-NE 3.06Å; E291-R294 IonicContact OE2-NH2 2.62Å; E291-R294 PolarHBondContact OE2-NH2 3.29Å; E291-E295 PolarHBondContact O-N 3.28Å
292E98.1Very high97.7Very high127 Ų127112.4 Ų112.459%0.59352%0.52SS*.Hα-helixtrans-58.4-48.8174-175.9179.1-160.700111L288 K289 R294 E295 V296L288-E292 WeakPolarHBondContact O-CB 3.14Å; L288-E292 PolarHBondContact O-N 2.93Å; K289-E292 PolarHBondContact O-N 2.89Å; E292-R294 VanDerWaalsContact C-N 3.28Å; E292-R294 PolarHBondContact O-N 3.04Å; E292-E295 PolarHBondContact O-N 3.06Å; E292-V296 HydrophobicContact CG-CG2 4.43Å; E292-V296 WeakPolarHBondContact O-CG2 3.42Å; E292-V296 PolarHBondContact O-N 3.32Å
293D98.3Very high97.7Very high85 Ų85113.5 Ų113.546%0.45552%0.52SS..Hα-helixtrans-59.5-39177.8-75.9-26.5000111.7K289 L297K289-D293 WeakPolarHBondContact O-CB 3.33Å; K289-D293 PolarHBondContact O-N 2.85Å; D293-L297 WeakPolarHBondContact O-CB 3.15Å; D293-L297 VanDerWaalsContact O-CG 3.28Å; D293-L297 WeakPolarHBondContact O-CG 3.31Å; D293-L297 PolarHBondContact O-N 2.9Å
294R98.3Very high97.8Very high133 Ų133115.4 Ų115.450%0.50253%0.526SS..Hα-helixtrans-62.2-47.9174.3-79.5-168.7-71.2-105.65.1112.2E290 E291 E292 L297 K298E290-R294 WeakPolarHBondContact O-CG 3.24Å; E290-R294 PolarHBondContact O-N 2.96Å; E291-R294 WeakPolarHBondContact O-CB 3.34Å; E291-R294 PolarHBondContact O-N 2.98Å; E291-R294 IonicContact OE2-CZ 3.16Å; E291-R294 IonicContact OE2-NE 2.89Å; E291-R294 PolarHBondContact OE2-NE 3.06Å; E291-R294 IonicContact OE2-NH2 2.62Å; E291-R294 PolarHBondContact OE2-NH2 3.29Å; E292-R294 VanDerWaalsContact C-N 3.28Å; E292-R294 PolarHBondContact O-N 3.04Å; R294-L297 PolarHBondContact O-N 3.41Å; R294-K298 WeakPolarHBondContact O-CB 3.34Å; R294-K298 PolarHBondContact O-N 3.19Å
295E98.1Very high97.9Very high86 Ų86119.7 Ų119.740%0.40254%0.542SS..Hα-helixtrans-69.9-36.6-178.9-75-61.1120.300111.9E291 E292 L297 K298 L299E291-E295 PolarHBondContact O-N 3.28Å; E292-E295 PolarHBondContact O-N 3.06Å; E295-L297 PolarHBondContact O-N 3.34Å; E295-K298 PolarHBondContact O-N 2.7Å; E295-K298 WeakPolarHBondContact OE1-CD 3.25Å; E295-K298 IonicContact OE1-NZ 2.81Å; E295-K298 PolarHBondContact OE1-NZ 2.84Å; E295-K298 IonicContact OE2-NZ 3.12Å; E295-K298 PolarHBondContact OE2-NZ 3.09Å; E295-K298 VanDerWaalsContact OE2-NZ 3.12Å; E295-L299 WeakPolarHBondContact O-CB 3.46Å; E295-L299 PolarHBondContact O-N 3.4Å
296V98Very high97.9Very high81 Ų81118.1 Ų118.149%0.49153%0.534SS..Hα-helixtrans-59.7-45.9172169.40000110.9E292 K298 L299 R300E292-V296 HydrophobicContact CG-CG2 4.43Å; E292-V296 WeakPolarHBondContact O-CG2 3.42Å; E292-V296 PolarHBondContact O-N 3.32Å; V296-K298 PolarHBondContact O-N 3.03Å; V296-L299 PolarHBondContact O-N 3.25Å; V296-R300 VanDerWaalsContact O-CB 3.3Å; V296-R300 WeakPolarHBondContact O-CB 3.15Å; V296-R300 PolarHBondContact O-N 3.25Å
297L98Very high97.9Very high91 Ų91120.4 Ų120.448%0.47654%0.535SS..Hα-helixtrans-61.2-44177.3-78.1168.2000111.9D293 R294 E295 R300 R301D293-L297 WeakPolarHBondContact O-CB 3.15Å; D293-L297 VanDerWaalsContact O-CG 3.28Å; D293-L297 WeakPolarHBondContact O-CG 3.31Å; D293-L297 PolarHBondContact O-N 2.9Å; R294-L297 PolarHBondContact O-N 3.41Å; E295-L297 PolarHBondContact O-N 3.34Å; L297-R300 PolarHBondContact O-N 2.77Å; L297-R301 WeakPolarHBondContact O-CG 3.35Å; L297-R301 PolarHBondContact O-N 3.01Å
298K98.1Very high97.7Very high122 Ų122116.6 Ų116.653%0.5352%0.524SS..Hα-helixtrans-63-44.6177.5-177.1-174.9175.2-166.30111.7R294 E295 V296 R301 R302R294-K298 WeakPolarHBondContact O-CB 3.34Å; R294-K298 PolarHBondContact O-N 3.19Å; E295-K298 PolarHBondContact O-N 2.7Å; E295-K298 WeakPolarHBondContact OE1-CD 3.25Å; E295-K298 IonicContact OE1-NZ 2.81Å; E295-K298 PolarHBondContact OE1-NZ 2.84Å; E295-K298 IonicContact OE2-NZ 3.12Å; E295-K298 PolarHBondContact OE2-NZ 3.09Å; E295-K298 VanDerWaalsContact OE2-NZ 3.12Å; V296-K298 PolarHBondContact O-N 3.03Å; K298-R301 PolarHBondContact O-N 3.23Å; K298-R302 PolarHBondContact O-N 2.85Å
299L98.3Very high97.7Very high120 Ų120113.4 Ų113.463%0.62851%0.507SS*.Hα-helixtrans-62.5-43.9176-174.861.6000111.2E295 V296 R301 R302 Y303E295-L299 WeakPolarHBondContact O-CB 3.46Å; E295-L299 PolarHBondContact O-N 3.4Å; V296-L299 PolarHBondContact O-N 3.25Å; L299-R301 PolarHBondContact O-N 3Å; L299-R302 PolarHBondContact O-N 2.71Å; L299-Y303 WeakPolarHBondContact O-CB 3.45Å; L299-Y303 PolarHBondContact O-N 3.12Å
300R98.1Very high97.5Very high167 Ų167111.6 Ų111.663%0.6350%0.503SS*.Hα-helixtrans-62.6-41.6178-165.9173.5-173.8-178.41.3112.2V296 L297 Y303 N304V296-R300 VanDerWaalsContact O-CB 3.3Å; V296-R300 WeakPolarHBondContact O-CB 3.15Å; V296-R300 PolarHBondContact O-N 3.25Å; L297-R300 PolarHBondContact O-N 2.77Å; R300-Y303 PolarHBondContact O-N 3.02Å; R300-N304 WeakPolarHBondContact O-CB 3.49Å; R300-N304 VanDerWaalsContact O-CG 3.22Å; R300-N304 PolarHBondContact O-N 2.85Å; R300-N304 PolarHBondContact O-ND2 2.78Å
301R97.8Very high97.3Very high182 Ų182110 Ų11069%0.68750%0.495SS*.Hα-helixtrans-60.8-46.9173.8-72.6175.7-167.4178.85.2111.3L297 K298 L299 N304 Y305L297-R301 WeakPolarHBondContact O-CG 3.35Å; L297-R301 PolarHBondContact O-N 3.01Å; K298-R301 PolarHBondContact O-N 3.23Å; L299-R301 PolarHBondContact O-N 3Å; R301-N304 PolarHBondContact O-N 2.86Å; R301-Y305 WeakPolarHBondContact O-CB 3.32Å; R301-Y305 PolarHBondContact O-N 3.23Å
302R97.9Very high97Very high179 Ų179112.5 Ų112.568%0.67551%0.505SS*.Hα-helixtrans-62.6-44.3178.9-171.4175.2-177.1178.80.7111.9K298 L299 Y305 L306K298-R302 PolarHBondContact O-N 2.85Å; L299-R302 PolarHBondContact O-N 2.71Å; R302-Y305 PolarHBondContact O-N 3.02Å; R302-L306 HydrophobicContact CG-CD1 4.2Å; R302-L306 WeakPolarHBondContact O-CG 3.39Å; R302-L306 PolarHBondContact O-N 2.97Å
303Y98.1Very high96.7Very high137 Ų137112.7 Ų112.754%0.53751%0.506SS..Hα-helixtrans-59.2-50.4175.3173.5-99.7000111.7L299 R300 Y305 L306 R307L299-Y303 WeakPolarHBondContact O-CB 3.45Å; L299-Y303 PolarHBondContact O-N 3.12Å; R300-Y303 PolarHBondContact O-N 3.02Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y303-Y305 PolarHBondContact O-N 2.84Å; Y303-L306 PolarHBondContact O-N 3.19Å; Y303-R307 VanDerWaalsContact O-CB 3.28Å; Y303-R307 WeakPolarHBondContact O-CB 3.19Å; Y303-R307 PolarHBondContact O-N 3.24Å
304N97.8Very high96.3Very high84 Ų84114 Ų11445%0.44951%0.512SS..Hα-helixtrans-61.6-39.9-179.8-72.8-22.2000112.3R300 R301 C308R300-N304 WeakPolarHBondContact O-CB 3.49Å; R300-N304 VanDerWaalsContact O-CG 3.22Å; R300-N304 PolarHBondContact O-N 2.85Å; R300-N304 PolarHBondContact O-ND2 2.78Å; R301-N304 PolarHBondContact O-N 2.86Å; N304-C308 WeakPolarHBondContact O-CB 3.47Å; N304-C308 PolarHBondContact O-N 3.36Å
305Y97.2Very high95.7Very high157 Ų157116 Ų11662%0.61652%0.52SS*.Hα-helixtrans-61.2-51175.9174.2-102.5000111.8R301 R302 Y303 C308 I309R301-Y305 WeakPolarHBondContact O-CB 3.32Å; R301-Y305 PolarHBondContact O-N 3.23Å; R302-Y305 PolarHBondContact O-N 3.02Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y303-Y305 PolarHBondContact O-N 2.84Å; Y305-C308 WeakPolarHBondContact O-CB 3.19Å; Y305-C308 PolarHBondContact O-N 3.39Å; Y305-I309 HydrophobicContact CD1-CD1 3.92Å; Y305-I309 HydrophobicContact CE1-CD1 3.35Å; Y305-I309 HydrophobicContact CE2-CD1 4.13Å; Y305-I309 VanDerWaalsContact CZ-CD1 3.47Å; Y305-I309 PolarHBondContact O-N 3.02Å; Y305-I309 VanDerWaalsContact O-N 3.14Å
306L97.2Very high94.4Very high82 Ų82114.9 Ų114.943%0.42953%0.531SS..Hα-helixtrans-63.4-43.3178.7-72.2169.8000111.9R302 Y303 C308 I309 I310R302-L306 HydrophobicContact CG-CD1 4.2Å; R302-L306 WeakPolarHBondContact O-CG 3.39Å; R302-L306 PolarHBondContact O-N 2.97Å; Y303-L306 PolarHBondContact O-N 3.19Å; L306-C308 VanDerWaalsContact C-N 3.3Å; L306-C308 PolarHBondContact O-N 2.97Å; L306-I309 WeakPolarHBondContact O-CB 3.49Å; L306-I309 PolarHBondContact O-N 2.73Å; L306-I309 VanDerWaalsContact O-N 3.14Å; L306-I310 WeakPolarHBondContact O-CG1 3.31Å; L306-I310 PolarHBondContact O-N 3.32Å
307R96.4Very high92.7Very high124 Ų124116.7 Ų116.747%0.46854%0.537SS..Hα-helixtrans-56.2-45.2174.9-179.6177.9171.9161.94.5111.3Y303 I309 I310 E311Y303-R307 VanDerWaalsContact O-CB 3.28Å; Y303-R307 WeakPolarHBondContact O-CB 3.19Å; Y303-R307 PolarHBondContact O-N 3.24Å; R307-I309 VanDerWaalsContact C-N 3.33Å; R307-I309 PolarHBondContact O-N 2.79Å; R307-I310 PolarHBondContact O-N 3.31Å; R307-E311 HydrophobicContact CG-CG 4.31Å; R307-E311 WeakPolarHBondContact CG-OE1 3.48Å; R307-E311 IonicContact CZ-OE1 2.58Å; R307-E311 IonicContact NE-OE1 4Å; R307-E311 PolarHBondContact NE-OE1 3.4Å; R307-E311 IonicContact NH2-OE1 2.92Å; R307-E311 PolarHBondContact NH2-OE1 3.23Å; R307-E311 WeakPolarHBondContact O-CB 3.29Å; R307-E311 VanDerWaalsContact O-CG 3.31Å; R307-E311 WeakPolarHBondContact O-CG 3.39Å; R307-E311 PolarHBondContact O-N 2.87Å
308C95.5Very high91Very high54 Ų54117.9 Ų117.937%0.36555%0.551SS.*Hα-helixtrans-60.6-41.4177.3-174.70000112.2N304 Y305 L306 K312N304-C308 WeakPolarHBondContact O-CB 3.47Å; N304-C308 PolarHBondContact O-N 3.36Å; Y305-C308 WeakPolarHBondContact O-CB 3.19Å; Y305-C308 PolarHBondContact O-N 3.39Å; L306-C308 VanDerWaalsContact C-N 3.3Å; L306-C308 PolarHBondContact O-N 2.97Å; C308-K312 WeakPolarHBondContact O-CB 3.29Å; C308-K312 VanDerWaalsContact O-CG 3.3Å; C308-K312 WeakPolarHBondContact O-CG 3.18Å; C308-K312 PolarHBondContact O-N 3.4Å
309I95.8Very high89.1Confident57 Ų57121.4 Ų121.429%0.29257%0.569SS.*Hα-helixtrans-62.3-49.8176.2-68.2168.5000110.7Y305 L306 R307 E311 K312 Q313Y305-I309 HydrophobicContact CD1-CD1 3.92Å; Y305-I309 HydrophobicContact CE1-CD1 3.35Å; Y305-I309 HydrophobicContact CE2-CD1 4.13Å; Y305-I309 VanDerWaalsContact CZ-CD1 3.47Å; Y305-I309 PolarHBondContact O-N 3.02Å; Y305-I309 VanDerWaalsContact O-N 3.14Å; L306-I309 WeakPolarHBondContact O-CB 3.49Å; L306-I309 PolarHBondContact O-N 2.73Å; L306-I309 VanDerWaalsContact O-N 3.14Å; R307-I309 VanDerWaalsContact C-N 3.33Å; R307-I309 PolarHBondContact O-N 2.79Å; I309-E311 PolarHBondContact O-N 3.35Å; I309-K312 WeakPolarHBondContact O-CB 3.49Å; I309-K312 PolarHBondContact O-N 3.16Å; I309-Q313 PolarHBondContact O-N 2.79Å
310I95Very high87.2Confident93 Ų93118.6 Ų118.648%0.47757%0.569SS.*Hα-helixtrans-61.3-46.8-178.8-67166.9000110.2L306 R307 K312 Q313 L314L306-I310 WeakPolarHBondContact O-CG1 3.31Å; L306-I310 PolarHBondContact O-N 3.32Å; R307-I310 PolarHBondContact O-N 3.31Å; I310-K312 VanDerWaalsContact C-N 3.29Å; I310-K312 PolarHBondContact O-N 2.72Å; I310-Q313 PolarHBondContact O-N 3.13Å; I310-Q313 VanDerWaalsContact O-N 3.14Å; I310-L314 HydrophobicContact CG2-CD1 3.85Å; I310-L314 HydrophobicContact CG2-CG 4.29Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.7Å
311E94.1Very high85.1Confident64 Ų64115.1 Ų115.130%0.29958%0.576SS.*Hα-helixtrans-63.1-33.7178.1-72.1178.1-178.300112.8R307 I309 R315R307-E311 HydrophobicContact CG-CG 4.31Å; R307-E311 WeakPolarHBondContact CG-OE1 3.48Å; R307-E311 IonicContact CZ-OE1 2.58Å; R307-E311 IonicContact NE-OE1 4Å; R307-E311 PolarHBondContact NE-OE1 3.4Å; R307-E311 IonicContact NH2-OE1 2.92Å; R307-E311 PolarHBondContact NH2-OE1 3.23Å; R307-E311 WeakPolarHBondContact O-CB 3.29Å; R307-E311 VanDerWaalsContact O-CG 3.31Å; R307-E311 WeakPolarHBondContact O-CG 3.39Å; R307-E311 PolarHBondContact O-N 2.87Å; I309-E311 PolarHBondContact O-N 3.35Å; E311-R315 PolarHBondContact O-N 3.19Å; E311-R315 VanDerWaalsContact O-N 3.13Å; E311-R315 PolarHBondContact O-NE 3.12Å; E311-R315 IonicContact OE2-NH2 2.75Å
312K92.1Very high82.9Confident138 Ų138115.7 Ų115.760%0.658%0.584SS**Hα-helixtrans-66-44.1172.3-78.5176.2178.5-179.60111.7C308 I309 I310 R315 G316C308-K312 WeakPolarHBondContact O-CB 3.29Å; C308-K312 VanDerWaalsContact O-CG 3.3Å; C308-K312 WeakPolarHBondContact O-CG 3.18Å; C308-K312 PolarHBondContact O-N 3.4Å; I309-K312 WeakPolarHBondContact O-CB 3.49Å; I309-K312 PolarHBondContact O-N 3.16Å; I310-K312 VanDerWaalsContact C-N 3.29Å; I310-K312 PolarHBondContact O-N 2.72Å; K312-R315 PolarHBondContact O-N 2.98Å; K312-G316 PolarHBondContact O-N 2.82Å; K312-G316 VanDerWaalsContact O-N 3.13Å
313Q90.9Very high80.6Confident131 Ų131113.2 Ų113.261%0.61259%0.592SS**Hα-helixtrans-65-41.4177.4-72.2-177.3-12.700111.9I309 I310 R315 G316 L317I309-Q313 PolarHBondContact O-N 2.79Å; I310-Q313 PolarHBondContact O-N 3.13Å; I310-Q313 VanDerWaalsContact O-N 3.14Å; Q313-R315 VanDerWaalsContact C-N 3.35Å; Q313-R315 PolarHBondContact O-N 3.16Å; Q313-G316 PolarHBondContact O-N 3.34Å; Q313-G316 VanDerWaalsContact O-N 3.12Å; Q313-L317 PolarHBondContact O-N 3.12Å
314L90.1Very high78Confident111 Ų111117.9 Ų117.958%0.58162%0.624SS**Hα-helixtrans-63.1-37.9176.7-72.3172.2000112.7I310 G316 L317I310-L314 HydrophobicContact CG2-CD1 3.85Å; I310-L314 HydrophobicContact CG2-CG 4.29Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.7Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-L317 HydrophobicContact CD2-CD1 4.36Å
315R85.1Confident77Confident176 Ų176119.6 Ų119.666%0.66463%0.633SS**Hα-helixtrans-71.7-22.8173.4-82.8-176.2-71.4-104.3-5.5114E311 K312 Q313E311-R315 PolarHBondContact O-N 3.19Å; E311-R315 VanDerWaalsContact O-N 3.13Å; E311-R315 PolarHBondContact O-NE 3.12Å; E311-R315 IonicContact OE2-NH2 2.75Å; K312-R315 PolarHBondContact O-N 2.98Å; Q313-R315 VanDerWaalsContact C-N 3.35Å; Q313-R315 PolarHBondContact O-N 3.16Å
316G70.8Confident76Confident63 Ų63117.6 Ų117.665%0.64963%0.634SS**THydrogen-bonded Turntrans-85.2-4.8178.400000114.4K312 Q313 L314K312-G316 PolarHBondContact O-N 2.82Å; K312-G316 VanDerWaalsContact O-N 3.13Å; Q313-G316 PolarHBondContact O-N 3.34Å; Q313-G316 VanDerWaalsContact O-N 3.12Å; L314-G316 VanDerWaalsContact C-N 3.31Å
317L63.3Low74.8Confident118 Ų118119.6 Ų119.662%0.61865%0.645SS**SBendtrans-79.2121172.5-83.8154.3000109Q313 L314 E319Q313-L317 PolarHBondContact O-N 3.12Å; L314-L317 HydrophobicContact CD2-CD1 4.36Å; L317-E319 PolarHBondContact O-N 3.4Å
318P62.3Low73.5Confident116 Ų116119.3 Ų119.375%0.75366%0.655SS**PPolyproline II helixtrans-62.2129.3177.823.6-30.2000109.8G320P318-G320 PolarHBondContact O-N 2.99Å
319E57.8Low72.2Confident196 Ų196123.4 Ų123.492%0.91667%0.674SS**SBendtrans-54.2122.1167-73.3-176.9162.800108.3L317L317-E319 PolarHBondContact O-N 3.4Å
320G57.9Low70.6Confident61 Ų61127.8 Ų127.863%0.62970%0.699SS**  trans12.6110.8174.600000116.3P318 K322P318-G320 PolarHBondContact O-N 2.99Å; G320-K322 PolarHBondContact O-N 3.13Å
321A54.7Low68.8Low95 Ų95130.3 Ų130.379%0.78572%0.715SS**  trans-48.599.5150.300000107.6C323A321-C323 VanDerWaalsContact C-N 3.25Å; A321-C323 PolarHBondContact O-N 2.65Å
322K50.7Low66.9Low194 Ų194135.4 Ų135.484%0.84375%0.747SS**  trans-64.297.9165.3-76.2-178.7177.8176.20104.6G320 I324G320-K322 PolarHBondContact O-N 3.13Å; K322-I324 PolarHBondContact O-N 2.77Å
323C50.4Low64.8Low126 Ų126135.2 Ų135.285%0.85176%0.759SS**  trans-56.7109.9164.5-64.80000106.6A321A321-C323 VanDerWaalsContact C-N 3.25Å; A321-C323 PolarHBondContact O-N 2.65Å
324I43.6Very low62.4Low235 Ų235135.5 Ų135.5100%1.20577%0.772SS**  trans-71.50167.2-68.7175.4000108.3K322K322-I324 PolarHBondContact O-N 2.77Å

Retrieved 324 of 324 residues in 144.6 ms (Link to these results)

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