A0A060CZ68_MAIZE Loading...

ABI3VP1 transcription factor

AlphaFold DB , UniProt , Accession A0A060CZ68, Species MAIZE (Zea mays, Maize), Gene ABI8, Length 327 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
1M58.2Low61.7Low251 Ų251154.5 Ų154.5100%1.23686%0.855SS**  088.20-77.5163.9164.700106.4
2E56.5Low61.1Low182 Ų182151.2 Ų151.285%0.8585%0.851SS**  trans-126.4113.2179.3-160163.1121.900107.2
3F54.4Low60.1Low214 Ų214145.8 Ų145.894%0.93985%0.85SS**  trans-95.894.4-170.4-135.9-93.2000107.2A5F3-A5 PolarHBondContact O-N 3.45Å
4T68.8Low59Low127 Ų127141 Ų14178%0.77985%0.847SS**  trans-79.4114.6174-61.20000109.3
5A63.8Low58.4Low80 Ų80135.9 Ų135.966%0.66184%0.835SS**PPolyproline II helixtrans-70.1147.317800000112.3F3F3-A5 PolarHBondContact O-N 3.45Å
6P67.3Low58Low118 Ų118138.8 Ų138.877%0.76684%0.836SS**PPolyproline II helixtrans-77.8153.2176.632.1-33.4000112
7P70.8Confident57.5Low117 Ų117140.9 Ų140.976%0.7684%0.835SS**PPolyproline II helixtrans-73.4156.2-18030.8-34.3000112.4
8P62.1Low57.2Low120 Ų120145.4 Ų145.478%0.77984%0.835SS**PPolyproline II helixtrans-73.8139.7-174.630.2-34000112.2T10P8-T10 PolarHBondContact O-N 3.37Å
9A56.3Low56.9Low101 Ų101141.2 Ų141.284%0.83582%0.819SS**PPolyproline II helixtrans-62.1118.4175.800000111.6R11A9-R11 PolarHBondContact O-N 3.19Å
10T60.1Low56.6Low141 Ų141136.9 Ų136.987%0.86580%0.801SS**  trans-68.3112168.524.70000109.7P8 S12P8-T10 PolarHBondContact O-N 3.37Å; T10-S12 PolarHBondContact O-N 3.07Å
11R60.1Low56.3Low249 Ų249133.1 Ų133.194%0.9479%0.786SS**  trans-63.4111.4175.3-177.5170.4127.8-169.2-1.6109.9A9 G13A9-R11 PolarHBondContact O-N 3.19Å; R11-G13 PolarHBondContact O-N 3.32Å
12S55.2Low55.7Low114 Ų114128 Ų12880%0.79776%0.759SS**  trans-53.4110.8176.2-171.60000112.3T10 G14T10-S12 PolarHBondContact O-N 3.07Å; S12-G14 PolarHBondContact O-N 3.49Å
13G47Very low55.1Low82 Ų82125.3 Ų125.385%0.84575%0.746SS**  trans-81.490.5166.800000110.2R11R11-G13 PolarHBondContact O-N 3.32Å
14G44.6Very low54.4Low78 Ų78121.2 Ų121.280%0.80473%0.729SS**  trans-104.133.1-179.100000114.5S12S12-G14 PolarHBondContact O-N 3.49Å
15G49.8Very low53Low65 Ų65123 Ų12367%0.6773%0.729SS**SBendtrans-109.3-21.5-168.200000117
16E52.1Low52.1Low181 Ų181125.9 Ų125.985%0.84673%0.729SS**SBendtrans-107.4-11.7-165.3-72.2171.3114.100114.4R18E16-R18 PolarHBondContact O-N 3.24Å
17E49.6Very low50.8Low176 Ų176128 Ų12882%0.82273%0.729SS**Hα-helixtrans-78.9-19.4-176.2-156.7173.1143.400113.6
18R52.6Low49.4Very low222 Ų222130 Ų13084%0.83873%0.727SS**Hα-helixtrans-76.8-25.7177.6-77.8-170.3172.6-164-1.2113.9E16E16-R18 PolarHBondContact O-N 3.24Å
19A51.5Low48.9Very low65 Ų65130 Ų13054%0.53772%0.717SS.*Hα-helixtrans-78.7-26.5178.100000112.6
20A50.9Low48.8Very low55 Ų55128.7 Ų128.746%0.45571%0.707SS.*Hα-helixtrans-76.4-25.5178.900000113.4H24A20-H24 PolarHBondContact O-N 3.45Å; A20-H24 PolarHBondContact O-ND1 3.34Å
21A50Low49.2Very low57 Ų57128.6 Ų128.647%0.47171%0.706SS.*Hα-helixtrans-73.9-27.5178.600000113.2
22E46.8Very low50Low144 Ų144118.4 Ų118.467%0.67367%0.671SS**Hα-helixtrans-77.7-30.6177.5-65.3-173.3152.100112.1
23H42.6Very low51.6Low126 Ų126119.6 Ų119.658%0.58366%0.664SS**Hα-helixtrans-75.2-26.4176-98.7-93.1000113.7
24H39.9Very low53.7Low127 Ų127121 Ų12159%0.58865%0.647SS**Hα-helixtrans-78.5-19.1178.7-92.782.8000114.6A20A20-H24 PolarHBondContact O-N 3.45Å; A20-H24 PolarHBondContact O-ND1 3.34Å
25Q40.1Very low56.1Low165 Ų165120.7 Ų120.777%0.77162%0.624SS**SBendtrans-78.5-19.7173.9-79.7-178.835.400113.2
26Q43.9Very low58.3Low141 Ų141122.8 Ų122.866%0.65962%0.617SS**SBendtrans-81.8-18.4-178.3-68.6179.717.200113.6
27Q41.4Very low60.5Low163 Ų163114.6 Ų114.676%0.76258%0.579SS**SBendtrans-97-8.7-179.4-70.8178.81500114.2Q29Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 2.71Å
28Q41Very low62.8Low157 Ų157106.4 Ų106.473%0.73454%0.54SS*.  trans-90.624.8174.2-68.4-176.932.400113.5A30Q28-A30 PolarHBondContact O-N 2.76Å
29Q50.3Low64.9Low121 Ų12198.5 Ų98.557%0.56552%0.515SS*.  trans-68.575.9154.5-80.7-1779.800107.4Q27 T31Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 2.71Å; Q29-T31 PolarHBondContact O-N 2.73Å
30A55.6Low67.1Low74 Ų7496.9 Ų96.961%0.61250%0.495SS*.  trans-39.3131.1158.700000106.5Q28 V32Q28-A30 PolarHBondContact O-N 2.76Å; A30-V32 WeakPolarHBondContact O-CG2 3.48Å; A30-V32 PolarHBondContact O-N 3.27Å
31T67.9Low69.3Low138 Ų13897.9 Ų97.985%0.84750%0.496SS*.  trans-6076.9178.348.90000108.8Q29 E33Q29-T31 PolarHBondContact O-N 2.73Å; T31-E33 PolarHBondContact O-N 2.83Å; T31-E33 VanDerWaalsContact O-N 3.15Å
32V77Confident71.6Confident35 Ų3595.3 Ų95.321%0.21247%0.474CS..  trans-66.1117176.4168.60000105.2A30 K34 A131 F136A30-V32 WeakPolarHBondContact O-CG2 3.48Å; A30-V32 PolarHBondContact O-N 3.27Å; V32-K34 HydrophobicContact CG1-CG 4.42Å; V32-K34 WeakPolarHBondContact O-CG 3.43Å; V32-K34 PolarHBondContact O-N 3.33Å; V32-A131 HydrophobicContact CB-CB 4.49Å; V32-A131 HydrophobicContact CG1-CB 3.3Å; V32-A131 HydrophobicContact CG2-CB 4.44Å; V32-F136 HydrophobicContact CG1-CE2 4.02Å; V32-F136 HydrophobicContact CG1-CZ 3.8Å
33E88.4Confident74Confident140 Ų14090.6 Ų90.665%0.65446%0.455SS*.  trans-63126.8171.3-66.2-171.9165.500108.5T31 V127T31-E33 PolarHBondContact O-N 2.83Å; T31-E33 VanDerWaalsContact O-N 3.15Å; E33-V127 HydrophobicContact CB-CB 4.06Å; E33-V127 PolarHBondContact O-N 3.02Å
34K92.2Very high76.7Confident110 Ų11089.3 Ų89.348%0.47846%0.458SS..EExtended strand (participates in β ladder)trans-115.4124.5-178-59.6176.9-172.8177.20108.5V32 R125 F136V32-K34 HydrophobicContact CG1-CG 4.42Å; V32-K34 WeakPolarHBondContact O-CG 3.43Å; V32-K34 PolarHBondContact O-N 3.33Å; K34-R125 CarbonylContact C-O 3.6Å; K34-R125 WeakPolarHBondContact CA-O 3.36Å; K34-F136 HydrophobicContact CB-CD2 4.37Å; K34-F136 HydrophobicContact CD-CB 4.16Å; K34-F136 HydrophobicContact CD-CD1 3.96Å; K34-F136 HydrophobicContact CD-CD2 3.82Å; K34-F136 HydrophobicContact CD-CE1 4.33Å; K34-F136 HydrophobicContact CD-CE2 4.2Å; K34-F136 HydrophobicContact CD-CG 3.69Å; K34-F136 HydrophobicContact CD-CZ 4.44Å; K34-F136 VanDerWaalsContact CE-CD1 3.5Å; K34-F136 HydrophobicContact CG-CD2 3.71Å; K34-F136 HydrophobicContact CG-CE2 3.82Å; K34-F136 HydrophobicContact CG-CG 4.13Å; K34-F136 HydrophobicContact CG-CZ 4.33Å
35E94.6Very high79.4Confident72 Ų7285.9 Ų85.934%0.33645%0.448SS..EExtended strand (participates in β ladder)trans-87126169.4-179-176.5163.300108.9G124 R125 V127E35-G124 CarbonylContact O-C 3.55Å; E35-G124 WeakPolarHBondContact O-CA 3.46Å; E35-R125 HydrophobicContact CB-CG 4.04Å; E35-R125 VanDerWaalsContact CD-NE 3.31Å; E35-R125 PolarHBondContact N-O 2.76Å; E35-R125 PolarHBondContact O-N 2.95Å; E35-R125 IonicContact OE1-CZ 3.45Å; E35-R125 IonicContact OE1-NE 3.56Å; E35-R125 IonicContact OE1-NH2 2.76Å; E35-R125 PolarHBondContact OE1-NH2 2.85Å; E35-R125 IonicContact OE2-CZ 3.12Å; E35-R125 IonicContact OE2-NE 2.73Å; E35-R125 PolarHBondContact OE2-NE 2.86Å; E35-R125 IonicContact OE2-NH2 2.71Å; E35-R125 PolarHBondContact OE2-NH2 3.41Å; E35-V127 HydrophobicContact CB-CG2 3.42Å; E35-V127 VanDerWaalsContact CB-CG2 3.42Å
36H96.2Very high82.1Confident109 Ų10978.1 Ų78.151%0.50541%0.412SS..EExtended strand (participates in β ladder)trans-68.9132.1172.7179.1-95.1000110.5D39H36-D39 IonicContact CD2-OD1 3.61Å; H36-D39 IonicContact CE1-OD1 2.76Å; H36-D39 IonicContact NE2-OD1 2.96Å; H36-D39 PolarHBondContact NE2-OD1 2.85Å
37M96.8Very high84.7Confident10 Ų1073.3 Ų73.35%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-101-60.5178.5-62163.769.100110.4Y63 F64 F123 R125 L135M37-Y63 HydrophobicContact CB-CD1 3.89Å; M37-Y63 HydrophobicContact CB-CD2 4.14Å; M37-Y63 HydrophobicContact CB-CE1 3.84Å; M37-Y63 HydrophobicContact CB-CE2 4.11Å; M37-Y63 HydrophobicContact CB-CG 4.06Å; M37-Y63 HydrophobicContact CE-CD1 3.6Å; M37-Y63 HydrophobicContact CE-CG 3.59Å; M37-Y63 HydrophobicContact CG-CD1 3.93Å; M37-Y63 HydrophobicContact CG-CE1 4.02Å; M37-Y63 HydrophobicContact CG-CG 4.45Å; M37-Y63 WeakPolarHBondContact O-CE2 3.31Å; M37-Y63 PolarHBondContact O-OH 3.08Å; M37-F64 HydrophobicContact CE-CE1 3.79Å; M37-F64 HydrophobicContact CE-CE2 4.36Å; M37-F64 HydrophobicContact CE-CZ 3.66Å; M37-F123 WeakPolarHBondContact CB-O 3.37Å; M37-F123 PolarHBondContact N-O 3.13Å; M37-R125 HydrophobicContact CG-CB 4.43Å; M37-R125 HydrophobicContact CG-CG 4.21Å; M37-R125 HydrophobicContact SD-CB 3.75Å; M37-R125 HydrophobicContact SD-CG 4.14Å; M37-L135 HydrophobicContact SD-CD2 4.45Å
38F97.9Very high87.2Confident4 Ų467 Ų672%0.01837%0.371CS..EExtended strand (participates in β ladder)trans-162.3160.7177.663.9-82.9000112.2K40 I55 H59 Y63 F64 F123F38-K40 HydrophobicContact CE2-CB 4.45Å; F38-I55 HydrophobicContact CE2-CG2 4.41Å; F38-I55 HydrophobicContact CZ-CD1 4.42Å; F38-I55 HydrophobicContact CZ-CG2 4.14Å; F38-H59 HydrophobicContact CB-CB 4.25Å; F38-H59 HydrophobicContact CD1-CB 3.84Å; F38-H59 HydrophobicContact CD2-CB 4.03Å; F38-H59 AromaticContact CD2-CD2 3.76Å; F38-H59 AromaticContact CD2-CG 3.9Å; F38-H59 HydrophobicContact CE1-CB 4.17Å; F38-H59 HydrophobicContact CE2-CB 4.34Å; F38-H59 HydrophobicContact CG-CB 3.77Å; F38-H59 AromaticContact CG-CD2 3.9Å; F38-H59 AromaticContact CG-CG 3.64Å; F38-H59 HydrophobicContact CZ-CB 4.41Å; F38-Y63 HydrophobicContact CB-CE2 4.37Å; F38-Y63 AromaticContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CE2 4.09Å; F38-Y63 HydrophobicContact CD1-CG 4.47Å; F38-Y63 HydrophobicContact CE1-CD2 4.29Å; F38-F64 HydrophobicContact CE1-CD2 4.48Å; F38-F64 AromaticContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CZ 4.33Å; F38-F64 AromaticContact CZ-CE2 3.96Å; F38-F64 HydrophobicContact CZ-CE2 3.96Å; F38-F123 HydrophobicContact CD1-CB 4.2Å; F38-F123 AromaticContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CE1-CB 3.8Å; F38-F123 HydrophobicContact CE1-CD2 4.07Å; F38-F123 HydrophobicContact CE1-CG 4.05Å; F38-F123 HydrophobicContact CE2-CB 4.47Å; F38-F123 AromaticContact CE2-CD2 3.28Å; F38-F123 HydrophobicContact CE2-CD2 3.28Å; F38-F123 AromaticContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CG 4.09Å; F38-F123 HydrophobicContact CZ-CB 3.95Å; F38-F123 AromaticContact CZ-CD2 3.33Å; F38-F123 HydrophobicContact CZ-CD2 3.33Å; F38-F123 AromaticContact CZ-CE2 3.91Å; F38-F123 HydrophobicContact CZ-CE2 3.91Å; F38-F123 AromaticContact CZ-CG 3.67Å; F38-F123 HydrophobicContact CZ-CG 3.67Å; F38-F123 PolarHBondContact N-O 3.41Å; F38-F123 PolarHBondContact O-N 3.18Å
39D97.8Very high89.7Confident56 Ų5669.4 Ų69.430%0.29938%0.379SS..EExtended strand (participates in β ladder)trans-108.1144.5170.5-78.1-6.4000110.4H36 T120 S122 R140H36-D39 IonicContact CD2-OD1 3.61Å; H36-D39 IonicContact CE1-OD1 2.76Å; H36-D39 IonicContact NE2-OD1 2.96Å; H36-D39 PolarHBondContact NE2-OD1 2.85Å; D39-T120 HydrophobicContact CB-CG2 3.81Å; D39-S122 VanDerWaalsContact OD1-CB 3.25Å; D39-S122 WeakPolarHBondContact OD1-CB 3.33Å; D39-S122 PolarHBondContact OD1-OG 2.98Å; D39-R140 IonicContact OD1-NH1 2.72Å; D39-R140 IonicContact OD2-CZ 3.66Å; D39-R140 VanDerWaalsContact OD2-CZ 3.25Å; D39-R140 IonicContact OD2-NH1 3.88Å; D39-R140 PolarHBondContact OD2-NH1 3.24Å; D39-R140 IonicContact OD2-NH2 3.78Å; D39-R140 PolarHBondContact OD2-NH2 3.41Å
40K97.6Very high91.8Very high31 Ų3168 Ų6814%0.13538%0.375CS..EExtended strand (participates in β ladder)trans-131.4118.3175.4173.662.9179.2-156.90110F38 V42 L53 V54 P56 T120 V121F38-K40 HydrophobicContact CE2-CB 4.45Å; K40-V42 PolarHBondContact O-N 3.07Å; K40-L53 HydrophobicContact CG-CD1 4.2Å; K40-V54 VanDerWaalsContact CE-O 3.31Å; K40-V54 WeakPolarHBondContact CE-O 3.34Å; K40-V54 PolarHBondContact NZ-O 3.22Å; K40-V54 VanDerWaalsContact NZ-O 3.11Å; K40-P56 HydrophobicContact CD-CG 3.94Å; K40-T120 WeakPolarHBondContact O-CA 2.78Å; K40-V121 PolarHBondContact N-O 2.87Å; K40-V121 PolarHBondContact O-N 2.84Å
41V97.8Very high93.7Very high76 Ų7668.7 Ų68.746%0.46137%0.368SS..EExtended strand (participates in β ladder)trans-70.1124165.5-177.60000108.4T43 D119V41-T43 PolarHBondContact O-N 3.47Å; V41-D119 WeakPolarHBondContact CA-O 3.38Å
42V98.1Very high95.2Very high2 Ų264.2 Ų64.21%0.01234%0.336CS..PPolyproline II helixtrans-70.2125.1-178.4177.50000109.2K40 D46 V47 G118 D119 V121K40-V42 PolarHBondContact O-N 3.07Å; V42-D46 HydrophobicContact CG1-CB 3.91Å; V42-V47 HydrophobicContact CG1-CB 4.42Å; V42-V47 HydrophobicContact CG1-CG1 3.33Å; V42-V47 HydrophobicContact CG1-CG2 4.44Å; V42-G118 PolarHBondContact O-N 3.3Å; V42-D119 WeakPolarHBondContact CB-O 3.42Å; V42-D119 WeakPolarHBondContact CG2-O 3.28Å; V42-D119 PolarHBondContact N-O 3.22Å; V42-V121 HydrophobicContact CG2-CG2 3.64Å
43T97.7Very high96.2Very high45 Ų4562.5 Ų62.528%0.27633%0.326SS..PPolyproline II helixtrans-91161.7177.467.20000111.1V41 S45 D46 V47V41-T43 PolarHBondContact O-N 3.47Å; T43-S45 PolarHBondContact O-N 3.39Å; T43-S45 VanDerWaalsContact O-N 3.15Å; T43-S45 PolarHBondContact OG1-OG 2.68Å; T43-D46 WeakPolarHBondContact CB-OD2 3.37Å; T43-D46 PolarHBondContact N-OD2 3.31Å; T43-D46 WeakPolarHBondContact O-CB 3.45Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; T43-V47 PolarHBondContact O-N 3.46Å
44P97.9Very high96.6Very high100 Ų10057.4 Ų57.465%0.64930%0.304SS*.Hα-helixtrans-54.6-32.3173.7-27.435.6000113.9D46 G48 A117P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.47Å; P44-G48 WeakPolarHBondContact O-CA 3.14Å; P44-G48 PolarHBondContact O-N 3.07Å; P44-A117 HydrophobicContact CB-CB 4.44Å; P44-A117 HydrophobicContact CG-CB 3.98Å
45S96.8Very high96.9Very high54 Ų5452.3 Ų52.338%0.37828%0.282SS..Hα-helixtrans-69.1-27.1174.839.40000113.8T43T43-S45 PolarHBondContact O-N 3.39Å; T43-S45 VanDerWaalsContact O-N 3.15Å; T43-S45 PolarHBondContact OG1-OG 2.68Å
46D98Very high97.1Very high2 Ų250.5 Ų50.51%0.01128%0.276CS..Hα-helixtrans-75.1-39.8-178-61.8-46.3000111.3V42 T43 P44 R52 L53 V54 W106V42-D46 HydrophobicContact CG1-CB 3.91Å; T43-D46 WeakPolarHBondContact CB-OD2 3.37Å; T43-D46 PolarHBondContact N-OD2 3.31Å; T43-D46 WeakPolarHBondContact O-CB 3.45Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.47Å; D46-R52 WeakPolarHBondContact CA-O 3.11Å; D46-L53 HydrophobicContact CB-CD1 3.98Å; D46-L53 WeakPolarHBondContact OD1-CA 3.4Å; D46-V54 PolarHBondContact OD1-N 3.09Å; D46-W106 HydrophobicContact CB-CZ2 4.06Å; D46-W106 PolarHBondContact O-NE1 2.71Å
47V97.3Very high97Very high41 Ų4151.8 Ų51.825%0.24828%0.28CS..Hα-helixtrans-92.3-7.6177.1-690000113.6V42 T43 V110 L115 A117V42-V47 HydrophobicContact CG1-CB 4.42Å; V42-V47 HydrophobicContact CG1-CG1 3.33Å; V42-V47 HydrophobicContact CG1-CG2 4.44Å; T43-V47 PolarHBondContact O-N 3.46Å; V47-V110 HydrophobicContact CB-CG1 4.13Å; V47-V110 HydrophobicContact CG1-CG1 3.83Å; V47-V110 HydrophobicContact CG1-CG2 4.23Å; V47-L115 HydrophobicContact CG1-CB 4.21Å; V47-L115 WeakPolarHBondContact CG1-O 3.44Å; V47-A117 HydrophobicContact CG2-CB 4.14Å
48G93.8Very high97Very high31 Ų3157.6 Ų57.632%0.3231%0.308SS..SBendtrans-79.4-161.4-177.100000114.2P44 L50P44-G48 WeakPolarHBondContact O-CA 3.14Å; P44-G48 PolarHBondContact O-N 3.07Å; G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.17Å
49K94.3Very high97Very high207 Ų20759.2 Ų59.290%0.932%0.315SS*.THydrogen-bonded Turntrans-71.5-8.1-174.6-61.6-179.4-179178.80114.5N51K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.4Å; K49-N51 PolarHBondContact O-ND2 3.4Å
50L94.2Very high96.9Very high91 Ų9156.5 Ų56.548%0.47630%0.301SS..THydrogen-bonded Turntrans-75.8-15.3-178.3-66.8169000113.1G48 R52G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.17Å; L50-R52 HydrophobicContact CB-CG 3.92Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact O-N 3.07Å
51N96.2Very high96.7Very high88 Ų8860 Ų6047%0.47132%0.317SS..  trans51.931.7178-62-50.4000114K49K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.4Å; K49-N51 PolarHBondContact O-ND2 3.4Å
52R97.8Very high96.6Very high44 Ų4465.2 Ų65.217%0.16633%0.329CS..  trans-138.2142.8-177.771.6-169.5-176.3164.80.8110.1D46 L50 V101 M102 T103 W106D46-R52 WeakPolarHBondContact CA-O 3.11Å; L50-R52 HydrophobicContact CB-CG 3.92Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact O-N 3.07Å; R52-V101 HydrophobicContact CB-CB 4.43Å; R52-M102 WeakPolarHBondContact CA-O 3.28Å; R52-T103 HydrophobicContact CB-CG2 3.98Å; R52-W106 VanDerWaalsContact C-CD1 3.44Å
53L98.6Very high96.3Very high0 Ų066.9 Ų66.90%034%0.335CS..EExtended strand (participates in β ladder)trans-98.9127.4168.3173.265.7000108.9K40 D46 I55 V101 M102 W106 F123K40-L53 HydrophobicContact CG-CD1 4.2Å; D46-L53 HydrophobicContact CB-CD1 3.98Å; D46-L53 WeakPolarHBondContact OD1-CA 3.4Å; L53-I55 HydrophobicContact CD2-CD1 3.72Å; L53-I55 HydrophobicContact CG-CD1 3.9Å; L53-V101 CarbonylContact O-C 3.58Å; L53-V101 WeakPolarHBondContact O-CA 3.32Å; L53-M102 HydrophobicContact CB-CB 4.29Å; L53-M102 PolarHBondContact N-O 2.94Å; L53-M102 PolarHBondContact O-N 3.17Å; L53-W106 HydrophobicContact CB-CD2 3.68Å; L53-W106 HydrophobicContact CB-CE3 4.09Å; L53-W106 HydrophobicContact CB-CG 4.03Å; L53-W106 HydrophobicContact CB-CH2 4.43Å; L53-W106 HydrophobicContact CB-CZ2 4.06Å; L53-W106 HydrophobicContact CB-CZ3 4.44Å; L53-W106 HydrophobicContact CD1-CH2 4.03Å; L53-W106 HydrophobicContact CD1-CZ2 3.99Å; L53-W106 HydrophobicContact CD2-CE3 4.08Å; L53-W106 HydrophobicContact CD2-CH2 4.25Å; L53-W106 HydrophobicContact CD2-CZ3 3.93Å; L53-W106 HydrophobicContact CG-CH2 4.48Å; L53-W106 HydrophobicContact CG-CZ2 4.46Å; L53-F123 HydrophobicContact CD2-CE2 4.14Å; L53-F123 HydrophobicContact CD2-CZ 3.64Å
54V98.1Very high96Very high33 Ų3365.1 Ų65.120%0.232%0.324CS..EExtended strand (participates in β ladder)trans-87.1118.6174.4-1790000110.7K40 D46 V101K40-V54 VanDerWaalsContact CE-O 3.31Å; K40-V54 WeakPolarHBondContact CE-O 3.34Å; K40-V54 PolarHBondContact NZ-O 3.22Å; K40-V54 VanDerWaalsContact NZ-O 3.11Å; D46-V54 PolarHBondContact OD1-N 3.09Å; V54-V101 HydrophobicContact CG2-CG1 4.32Å
55I98Very high95.4Very high3 Ų364.7 Ų64.72%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-87.5122.5176.5-52-57.2000108.8F38 L53 K57 H59 A60 Y91 Y100 M102F38-I55 HydrophobicContact CE2-CG2 4.41Å; F38-I55 HydrophobicContact CZ-CD1 4.42Å; F38-I55 HydrophobicContact CZ-CG2 4.14Å; L53-I55 HydrophobicContact CD2-CD1 3.72Å; L53-I55 HydrophobicContact CG-CD1 3.9Å; I55-K57 PolarHBondContact O-N 3.46Å; I55-H59 HydrophobicContact CG2-CB 4.42Å; I55-A60 HydrophobicContact CG2-CB 3.98Å; I55-Y91 HydrophobicContact CB-CE2 4.41Å; I55-Y91 HydrophobicContact CG1-CD2 4.45Å; I55-Y91 HydrophobicContact CG1-CE2 4.08Å; I55-Y100 PolarHBondContact N-O 3.26Å; I55-M102 HydrophobicContact CD1-CE 3.91Å; I55-M102 HydrophobicContact CD1-CG 4.08Å; I55-M102 HydrophobicContact CD1-SD 4.11Å; I55-M102 HydrophobicContact CG1-CE 4.19Å; I55-M102 HydrophobicContact CG1-CG 4.08Å
56P97.4Very high94.9Very high33 Ų3363.8 Ų63.821%0.21431%0.311CS..PPolyproline II helixtrans-56.6135.5176.1-24.734.9000111.3K40 Q58 H59 A60K40-P56 HydrophobicContact CD-CG 3.94Å; P56-Q58 VanDerWaalsContact C-N 3.28Å; P56-Q58 HydrophobicContact CB-CG 4.33Å; P56-Q58 PolarHBondContact O-N 2.89Å; P56-H59 PolarHBondContact O-N 2.8Å; P56-A60 PolarHBondContact O-N 2.82Å
57K95.9Very high94.1Very high136 Ų13669.3 Ų69.359%0.59134%0.341SS*.Hα-helixtrans-48.8-47.4-175.2-178.7176.8179.9-175.90113I55 H59 A60 E61 Y100I55-K57 PolarHBondContact O-N 3.46Å; K57-H59 PolarHBondContact O-N 3.24Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 2.9Å; K57-E61 VanDerWaalsContact CE-CD 3.47Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 HydrophobicContact CG-CG 4.33Å; K57-E61 IonicContact NZ-OE1 2.8Å; K57-E61 PolarHBondContact O-N 2.88Å; K57-Y100 HydrophobicContact CG-CE2 4.21Å
58Q96.8Very high93Very high133 Ų13371.9 Ų71.962%0.62137%0.367SS*.Hα-helixtrans-55.9-33.7178.865.7-177.3-4.300113.9P56 R62P56-Q58 VanDerWaalsContact C-N 3.28Å; P56-Q58 HydrophobicContact CB-CG 4.33Å; P56-Q58 PolarHBondContact O-N 2.89Å; Q58-R62 WeakPolarHBondContact O-CB 3.11Å
59H96.8Very high91.9Very high37 Ų3774.6 Ų74.617%0.17139%0.386CS..Hα-helixtrans-86.7-38.8179.4-59.8-43.9000111.1F38 I55 P56 K57 R62 Y63F38-H59 HydrophobicContact CB-CB 4.25Å; F38-H59 HydrophobicContact CD1-CB 3.84Å; F38-H59 HydrophobicContact CD2-CB 4.03Å; F38-H59 AromaticContact CD2-CD2 3.76Å; F38-H59 AromaticContact CD2-CG 3.9Å; F38-H59 HydrophobicContact CE1-CB 4.17Å; F38-H59 HydrophobicContact CE2-CB 4.34Å; F38-H59 HydrophobicContact CG-CB 3.77Å; F38-H59 AromaticContact CG-CD2 3.9Å; F38-H59 AromaticContact CG-CG 3.64Å; F38-H59 HydrophobicContact CZ-CB 4.41Å; I55-H59 HydrophobicContact CG2-CB 4.42Å; P56-H59 PolarHBondContact O-N 2.8Å; K57-H59 PolarHBondContact O-N 3.24Å; H59-R62 PolarHBondContact O-N 2.8Å; H59-Y63 HydrophobicContact CB-CD2 4.26Å; H59-Y63 WeakPolarHBondContact O-CB 3.44Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 3.15Å
60A95.7Very high90.9Very high0 Ų066.3 Ų66.30%036%0.356CS..Hα-helixtrans-54.6-53.8174.700000111.8I55 P56 K57 R62 F64 Y91 Y100I55-A60 HydrophobicContact CG2-CB 3.98Å; P56-A60 PolarHBondContact O-N 2.82Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 2.9Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.34Å; A60-F64 CarbonylContact O-C 3.59Å; A60-F64 WeakPolarHBondContact O-CA 3.32Å; A60-F64 PolarHBondContact O-N 3.17Å; A60-Y91 WeakPolarHBondContact CA-OH 3.43Å; A60-Y91 WeakPolarHBondContact CB-OH 3.35Å; A60-Y100 HydrophobicContact CB-CD1 3.85Å; A60-Y100 HydrophobicContact CB-CD2 3.43Å; A60-Y100 VanDerWaalsContact CB-CD2 3.43Å; A60-Y100 HydrophobicContact CB-CE1 4.25Å; A60-Y100 HydrophobicContact CB-CE2 3.9Å; A60-Y100 HydrophobicContact CB-CG 3.4Å; A60-Y100 VanDerWaalsContact CB-CG 3.4Å
61E93.9Very high90Very high103 Ų10364.2 Ų64.248%0.48135%0.345SS..Hα-helixtrans-68.4-30.9-176.7-67.7177.2163.800112.8K57 Y100K57-E61 VanDerWaalsContact CE-CD 3.47Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 HydrophobicContact CG-CG 4.33Å; K57-E61 IonicContact NZ-OE1 2.8Å; K57-E61 PolarHBondContact O-N 2.88Å; E61-Y100 HydrophobicContact CG-CE2 4.47Å
62R94.7Very high89Confident186 Ų18667 Ų6770%0.70236%0.36SS*.Hα-helixtrans-77.5-37.7-179.7-173.5174-173.9-166.32.9113.3Q58 H59 A60Q58-R62 WeakPolarHBondContact O-CB 3.11Å; H59-R62 PolarHBondContact O-N 2.8Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.34Å
63Y93Very high88.3Confident37 Ų3772.8 Ų72.815%0.14539%0.387CS..Hα-helixtrans-116.3-26.3-165.1-69.9-59.3000114.6M37 F38 H59M37-Y63 HydrophobicContact CB-CD1 3.89Å; M37-Y63 HydrophobicContact CB-CD2 4.14Å; M37-Y63 HydrophobicContact CB-CE1 3.84Å; M37-Y63 HydrophobicContact CB-CE2 4.11Å; M37-Y63 HydrophobicContact CB-CG 4.06Å; M37-Y63 HydrophobicContact CE-CD1 3.6Å; M37-Y63 HydrophobicContact CE-CG 3.59Å; M37-Y63 HydrophobicContact CG-CD1 3.93Å; M37-Y63 HydrophobicContact CG-CE1 4.02Å; M37-Y63 HydrophobicContact CG-CG 4.45Å; M37-Y63 WeakPolarHBondContact O-CE2 3.31Å; M37-Y63 PolarHBondContact O-OH 3.08Å; F38-Y63 HydrophobicContact CB-CE2 4.37Å; F38-Y63 AromaticContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CE2 4.09Å; F38-Y63 HydrophobicContact CD1-CG 4.47Å; F38-Y63 HydrophobicContact CE1-CD2 4.29Å; H59-Y63 HydrophobicContact CB-CD2 4.26Å; H59-Y63 WeakPolarHBondContact O-CB 3.44Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 3.15Å
64F90Very high87.8Confident9 Ų973.5 Ų73.54%0.03939%0.394CS..SBendtrans-134.269.2-178.6-53.4-61.7000109.5M37 F38 A60 L66 L77 F79 Y91 M102 L135M37-F64 HydrophobicContact CE-CE1 3.79Å; M37-F64 HydrophobicContact CE-CE2 4.36Å; M37-F64 HydrophobicContact CE-CZ 3.66Å; F38-F64 HydrophobicContact CE1-CD2 4.48Å; F38-F64 AromaticContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CZ 4.33Å; F38-F64 AromaticContact CZ-CE2 3.96Å; F38-F64 HydrophobicContact CZ-CE2 3.96Å; A60-F64 CarbonylContact O-C 3.59Å; A60-F64 WeakPolarHBondContact O-CA 3.32Å; A60-F64 PolarHBondContact O-N 3.17Å; F64-L66 PolarHBondContact O-N 3.07Å; F64-L77 HydrophobicContact CD1-CD1 3.8Å; F64-L77 HydrophobicContact CE1-CD1 3.88Å; F64-L77 HydrophobicContact CG-CD1 4.25Å; F64-L77 HydrophobicContact CZ-CD1 4.38Å; F64-F79 HydrophobicContact CE1-CZ 4.07Å; F64-F79 HydrophobicContact CZ-CE1 4.08Å; F64-F79 AromaticContact CZ-CZ 3.7Å; F64-F79 HydrophobicContact CZ-CZ 3.7Å; F64-Y91 HydrophobicContact CB-CD1 4.02Å; F64-Y91 HydrophobicContact CB-CE1 3.36Å; F64-Y91 HydrophobicContact CB-CE2 4.5Å; F64-Y91 HydrophobicContact CG-CE1 4.34Å; F64-Y91 VanDerWaalsContact O-CE1 3.28Å; F64-Y91 WeakPolarHBondContact O-CE1 3.49Å; F64-Y91 PolarHBondContact O-OH 3.36Å; F64-M102 HydrophobicContact CD2-CE 4.22Å; F64-M102 HydrophobicContact CE2-CE 3.72Å; F64-M102 HydrophobicContact CZ-CE 4.16Å; F64-L135 HydrophobicContact CE1-CD1 4.19Å; F64-L135 HydrophobicContact CE1-CD2 4.44Å
65P86.6Confident87.6Confident90 Ų9075.3 Ų75.358%0.58440%0.402SS*.PPolyproline II helixtrans-58129.3175.425.3-33.1000109.5
66L86.6Confident87.4Confident35 Ų3578.4 Ų78.418%0.18342%0.418CS..PPolyproline II helixtrans-101.4116.9172.7-73-179.4000108.3F64 L75 Y91 Y100F64-L66 PolarHBondContact O-N 3.07Å; L66-L75 HydrophobicContact CD2-CB 4.22Å; L66-Y91 HydrophobicContact CD1-CD1 4.23Å; L66-Y91 HydrophobicContact CD1-CE1 3.77Å; L66-Y91 HydrophobicContact CD2-CD1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y91 HydrophobicContact CD2-CE1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CE1 3.48Å; L66-Y91 HydrophobicContact CG-CD1 3.98Å; L66-Y91 HydrophobicContact CG-CE1 3.44Å; L66-Y91 VanDerWaalsContact CG-CE1 3.44Å; L66-Y100 HydrophobicContact CD1-CD1 3.76Å; L66-Y100 HydrophobicContact CD1-CE1 3.79Å; L66-Y100 HydrophobicContact CG-CE1 4.34Å
67D80.4Confident87.3Confident118 Ų11877.5 Ų77.563%0.63141%0.412SS*.PPolyproline II helixtrans-67.5144.1167.5-59.5-32.8000109.2A69 A70 N71D67-A69 PolarHBondContact O-N 2.74Å; D67-A69 VanDerWaalsContact O-N 3.13Å; D67-A70 HydrophobicContact CB-CB 4.17Å; D67-A70 WeakPolarHBondContact O-CA 3.26Å; D67-A70 WeakPolarHBondContact O-CB 3.16Å; D67-A70 PolarHBondContact O-N 2.83Å; D67-N71 PolarHBondContact O-N 2.62Å
68A73.3Confident87.4Confident95 Ų9574 Ų7479%0.78540%0.404SS*.Hα-helixtrans-52.8-38.6179.700000112N71A68-N71 WeakPolarHBondContact O-CB 3.5Å; A68-N71 PolarHBondContact O-N 3.25Å
69A71.8Confident87.4Confident89 Ų8967.6 Ų67.674%0.73637%0.374SS*.Hα-helixtrans-70.6-28.617600000113.9D67 N71D67-A69 PolarHBondContact O-N 2.74Å; D67-A69 VanDerWaalsContact O-N 3.13Å; A69-N71 VanDerWaalsContact C-N 3.31Å
70A72.8Confident87.5Confident32 Ų3268.2 Ų68.226%0.26438%0.377SS..Hα-helixtrans-77.6-20.2178.200000112.2D67 D72 K73 G74D67-A70 HydrophobicContact CB-CB 4.17Å; D67-A70 WeakPolarHBondContact O-CA 3.26Å; D67-A70 WeakPolarHBondContact O-CB 3.16Å; D67-A70 PolarHBondContact O-N 2.83Å; A70-D72 PolarHBondContact O-N 2.85Å; A70-K73 PolarHBondContact O-N 3.23Å; A70-G74 WeakPolarHBondContact O-CA 3.46Å; A70-G74 PolarHBondContact O-N 3.29Å
71N75.1Confident87.5Confident47 Ų4768.3 Ų68.325%0.25138%0.378SS..Hα-helixtrans-63.3-39.4-174.4-169.738.6000113.2D67 A68 A69 K73 G74 Y93D67-N71 PolarHBondContact O-N 2.62Å; A68-N71 WeakPolarHBondContact O-CB 3.5Å; A68-N71 PolarHBondContact O-N 3.25Å; A69-N71 VanDerWaalsContact C-N 3.31Å; N71-K73 VanDerWaalsContact C-N 3.29Å; N71-K73 PolarHBondContact O-N 3.31Å; N71-G74 PolarHBondContact O-N 2.79Å; N71-Y93 VanDerWaalsContact OD1-CB 3.31Å; N71-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N71-Y93 PolarHBondContact OD1-N 2.84Å; N71-Y93 VanDerWaalsContact OD1-N 3.07Å; N71-Y93 PolarHBondContact OD1-O 2.78Å
72D76.2Confident87.5Confident146 Ų14669.8 Ų69.878%0.78138%0.379SS*.THydrogen-bonded Turntrans-62.2-36.7-176.1-65.7-31.5000112.9A70A70-D72 PolarHBondContact O-N 2.85Å
73K83.6Confident87.5Confident166 Ų16664.5 Ų64.572%0.72238%0.375SS*.THydrogen-bonded Turntrans-98.2-20.4179.8-64.4-178.8-177.21770112.1A70 N71 R90A70-K73 PolarHBondContact O-N 3.23Å; N71-K73 VanDerWaalsContact C-N 3.29Å; N71-K73 PolarHBondContact O-N 3.31Å; K73-R90 PolarHBondContact O-NH1 3.41Å
74G87.3Confident87.5Confident15 Ų1564 Ų6416%0.15538%0.382CS..  trans69.9151.9-168.200000112.7A70 N71 Y91 S92A70-G74 WeakPolarHBondContact O-CA 3.46Å; A70-G74 PolarHBondContact O-N 3.29Å; N71-G74 PolarHBondContact O-N 2.79Å; G74-Y91 CarbonylContact C-O 3.57Å; G74-Y91 WeakPolarHBondContact CA-O 3.48Å; G74-S92 VanDerWaalsContact CA-OG 3.26Å; G74-S92 WeakPolarHBondContact CA-OG 3.49Å
75L93.2Very high87.9Confident72 Ų7267.6 Ų67.638%0.37740%0.397SS..EExtended strand (participates in β ladder)trans-85.4134.5175.2-176.762000110L66 L77 Y91L66-L75 HydrophobicContact CD2-CB 4.22Å; L75-L77 HydrophobicContact CD2-CD2 3.55Å; L75-L77 HydrophobicContact CD2-CG 4.33Å; L75-L77 HydrophobicContact CG-CD2 3.8Å; L75-L77 HydrophobicContact CG-CG 4.3Å; L75-Y91 HydrophobicContact CB-CD1 4.46Å; L75-Y91 PolarHBondContact N-O 2.92Å; L75-Y91 PolarHBondContact O-N 2.87Å
76L94.6Very high88.4Confident67 Ų6767.2 Ų67.235%0.35140%0.395SS..EExtended strand (participates in β ladder)trans-94.3109.1174.9-16872.5000109.9F89 R90 K104L76-F89 WeakPolarHBondContact CA-O 3.48Å; L76-R90 HydrophobicContact CD1-CB 4.45Å; L76-K104 HydrophobicContact CD1-CD 4.19Å
77L95.7Very high88.9Confident15 Ų1566.1 Ų66.18%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-98140.8179.4-60.1177.7000110.4F64 L75 F79 R88 F89 Y91 M102 L135F64-L77 HydrophobicContact CD1-CD1 3.8Å; F64-L77 HydrophobicContact CE1-CD1 3.88Å; F64-L77 HydrophobicContact CG-CD1 4.25Å; F64-L77 HydrophobicContact CZ-CD1 4.38Å; L75-L77 HydrophobicContact CD2-CD2 3.55Å; L75-L77 HydrophobicContact CD2-CG 4.33Å; L75-L77 HydrophobicContact CG-CD2 3.8Å; L75-L77 HydrophobicContact CG-CG 4.3Å; L77-F79 HydrophobicContact CB-CD2 4.18Å; L77-F79 HydrophobicContact CB-CE2 3.51Å; L77-F79 HydrophobicContact CB-CZ 4.19Å; L77-F79 HydrophobicContact CD1-CE2 3.95Å; L77-F79 HydrophobicContact CD1-CZ 4Å; L77-F79 HydrophobicContact CG-CE2 4.38Å; L77-R88 CarbonylContact O-C 3.59Å; L77-R88 WeakPolarHBondContact O-CA 3.33Å; L77-F89 PolarHBondContact N-O 3.19Å; L77-F89 PolarHBondContact O-N 2.65Å; L77-Y91 HydrophobicContact CD1-CD1 4.37Å; L77-Y91 HydrophobicContact CD1-CG 4.11Å; L77-M102 HydrophobicContact CD1-CE 4Å; L77-L135 HydrophobicContact CB-CD1 4.2Å; L77-L135 HydrophobicContact CD2-CD1 3.94Å; L77-L135 HydrophobicContact CG-CD1 4.5Å
78S97.1Very high89.7Confident61 Ų6167.4 Ų67.443%0.42738%0.384SS..EExtended strand (participates in β ladder)trans-117.4112.7176.1-169.50000109.4W87S78-W87 WeakPolarHBondContact CA-O 3.27Å
79F97.7Very high90.9Very high0 Ų062.9 Ų62.90%035%0.347CS..EExtended strand (participates in β ladder)trans-105.3136.8177.9-65.9-91.5000110.4F64 L77 P86 W87 F89 M102 F123 L135 I137F64-F79 HydrophobicContact CE1-CZ 4.07Å; F64-F79 HydrophobicContact CZ-CE1 4.08Å; F64-F79 AromaticContact CZ-CZ 3.7Å; F64-F79 HydrophobicContact CZ-CZ 3.7Å; L77-F79 HydrophobicContact CB-CD2 4.18Å; L77-F79 HydrophobicContact CB-CE2 3.51Å; L77-F79 HydrophobicContact CB-CZ 4.19Å; L77-F79 HydrophobicContact CD1-CE2 3.95Å; L77-F79 HydrophobicContact CD1-CZ 4Å; L77-F79 HydrophobicContact CG-CE2 4.38Å; F79-P86 CarbonylContact O-C 3.41Å; F79-P86 WeakPolarHBondContact O-CA 3.03Å; F79-W87 PolarHBondContact N-O 3.36Å; F79-W87 WeakPolarHBondContact O-CB 3.37Å; F79-W87 PolarHBondContact O-N 3.42Å; F79-F89 AromaticContact CD2-CD2 3.45Å; F79-F89 HydrophobicContact CD2-CD2 3.45Å; F79-F89 VanDerWaalsContact CD2-CD2 3.45Å; F79-F89 AromaticContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CG 4.39Å; F79-F89 AromaticContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CE2 4.37Å; F79-F89 HydrophobicContact CG-CD2 4.44Å; F79-F89 HydrophobicContact CG-CE2 4.37Å; F79-M102 HydrophobicContact CE2-CE 4.04Å; F79-M102 HydrophobicContact CE2-SD 4.15Å; F79-M102 HydrophobicContact CZ-CE 3.87Å; F79-F123 AromaticContact CD1-CD1 3.99Å; F79-F123 HydrophobicContact CD1-CD1 3.99Å; F79-F123 AromaticContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CE1 4.18Å; F79-F123 AromaticContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CE1 4.18Å; F79-L135 CarbonylContact C-O 3.48Å; F79-L135 VanDerWaalsContact CA-O 3.32Å; F79-L135 WeakPolarHBondContact CA-O 3.42Å; F79-L135 HydrophobicContact CD1-CB 3.39Å; F79-L135 HydrophobicContact CD1-CD1 4.41Å; F79-L135 HydrophobicContact CD1-CG 4.49Å; F79-L135 HydrophobicContact CE1-CB 3.52Å; F79-L135 HydrophobicContact CE1-CD1 3.88Å; F79-L135 HydrophobicContact CE1-CG 4.2Å; F79-L135 HydrophobicContact CE2-CD1 4.34Å; F79-L135 HydrophobicContact CG-CB 4.06Å; F79-L135 HydrophobicContact CZ-CB 4.29Å; F79-L135 HydrophobicContact CZ-CD1 3.84Å; F79-I137 HydrophobicContact CB-CB 3.88Å; F79-I137 HydrophobicContact CB-CG2 3.64Å; F79-I137 HydrophobicContact CD1-CB 4.35Å; F79-I137 HydrophobicContact CG-CB 4.33Å
80E97.4Very high92.1Very high49 Ų4963.6 Ų63.623%0.22933%0.331CS..EExtended strand (participates in β ladder)trans-96.8133.3171.1-67.2174.3-152.200110.1R134 L135 F136 I137E80-R134 IonicContact OE1-CZ 3.55Å; E80-R134 IonicContact OE1-NE 3.07Å; E80-R134 PolarHBondContact OE1-NE 2.9Å; E80-R134 IonicContact OE1-NH2 2.76Å; E80-R134 PolarHBondContact OE1-NH2 3.44Å; E80-R134 IonicContact OE2-CZ 2.82Å; E80-R134 IonicContact OE2-NE 3.65Å; E80-R134 IonicContact OE2-NH2 2.76Å; E80-R134 PolarHBondContact OE2-NH2 3.12Å; E80-L135 PolarHBondContact N-O 2.87Å; E80-F136 HydrophobicContact CB-CD1 3.88Å; E80-F136 HydrophobicContact CB-CE1 4.03Å; E80-F136 CarbonylContact O-C 3.48Å; E80-F136 VanDerWaalsContact O-CA 3.27Å; E80-F136 WeakPolarHBondContact O-CA 3.28Å; E80-I137 PolarHBondContact O-N 2.81Å
81D96.4Very high93.2Very high3 Ų362 Ų622%0.01632%0.318CS..  trans-84176.4175.376.410.5000113.1A83 G84 K85 W87 K113 I137 W139D81-A83 PolarHBondContact O-N 2.68Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CA 3.29Å; D81-A83 WeakPolarHBondContact OD1-CA 3.46Å; D81-A83 WeakPolarHBondContact OD1-CB 3.13Å; D81-A83 PolarHBondContact OD1-N 3.37Å; D81-G84 PolarHBondContact O-N 3.45Å; D81-G84 PolarHBondContact OD1-N 3.32Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; D81-K85 PolarHBondContact N-O 3.24Å; D81-K85 WeakPolarHBondContact OD1-CB 3.47Å; D81-K85 PolarHBondContact OD1-N 3.47Å; D81-W87 PolarHBondContact OD2-NE1 3.24Å; D81-K113 VanDerWaalsContact OD2-CE 3.24Å; D81-K113 WeakPolarHBondContact OD2-CE 3.3Å; D81-K113 IonicContact OD2-NZ 2.65Å; D81-K113 PolarHBondContact OD2-NZ 2.59Å; D81-I137 VanDerWaalsContact CA-O 3.32Å; D81-I137 WeakPolarHBondContact CA-O 3.36Å; D81-I137 HydrophobicContact CB-CG2 4.17Å; D81-W139 HydrophobicContact CB-CZ3 4.05Å
82R93.5Very high94.2Very high133 Ų13360.4 Ų60.450%0.50231%0.31SS..THydrogen-bonded Turntrans-61.3-17.1176.367177.2-179.2-134.59.2114.9G84 D138 W139R82-G84 VanDerWaalsContact C-N 3.34Å; R82-D138 IonicContact CZ-OD1 2.63Å; R82-D138 IonicContact NH1-OD1 2.82Å; R82-D138 PolarHBondContact NH1-OD1 2.61Å; R82-W139 HydrophobicContact CG-CH2 4.05Å; R82-W139 HydrophobicContact CG-CZ3 4.17Å; R82-W139 PolarHBondContact NH1-O 3.19Å
83A94.7Very high95.1Very high75 Ų7556.4 Ų56.462%0.6229%0.285SS*.THydrogen-bonded Turntrans-923.8173.300000112.3D81 K85D81-A83 PolarHBondContact O-N 2.68Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CA 3.29Å; D81-A83 WeakPolarHBondContact OD1-CA 3.46Å; D81-A83 WeakPolarHBondContact OD1-CB 3.13Å; D81-A83 PolarHBondContact OD1-N 3.37Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.21Å
84G93.9Very high95.6Very high28 Ų2853.1 Ų53.129%0.28927%0.268SS..SBendtrans76.48.7-175.400000114.1D81 R82D81-G84 PolarHBondContact O-N 3.45Å; D81-G84 PolarHBondContact OD1-N 3.32Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; R82-G84 VanDerWaalsContact C-N 3.34Å
85K97Very high95.8Very high83 Ų8358.4 Ų58.436%0.36129%0.292SS..  trans-80.1130.9-178.8178.9173.2175.6170.30110.6D81 A83 W87 E112D81-K85 PolarHBondContact N-O 3.24Å; D81-K85 WeakPolarHBondContact OD1-CB 3.47Å; D81-K85 PolarHBondContact OD1-N 3.47Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.21Å; K85-W87 HydrophobicContact CD-CZ2 3.91Å; K85-E112 IonicContact NZ-OE1 3.4Å; K85-E112 PolarHBondContact NZ-OE1 2.76Å; K85-E112 IonicContact NZ-OE2 3.92Å; K85-E112 PolarHBondContact NZ-OE2 2.76Å
86P97.1Very high95.9Very high83 Ų8360.5 Ų60.554%0.53931%0.313SS..EExtended strand (participates in β ladder)trans-80.5138.7178.531.1-34.8000112.5F79F79-P86 CarbonylContact O-C 3.41Å; F79-P86 WeakPolarHBondContact O-CA 3.03Å
87W98.3Very high95.8Very high11 Ų1159.3 Ų59.34%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-125.9112.7-179.3-66.796.8000110S78 F79 D81 K85 F89 R108 F109 E112S78-W87 WeakPolarHBondContact CA-O 3.27Å; F79-W87 PolarHBondContact N-O 3.36Å; F79-W87 WeakPolarHBondContact O-CB 3.37Å; F79-W87 PolarHBondContact O-N 3.42Å; D81-W87 PolarHBondContact OD2-NE1 3.24Å; K85-W87 HydrophobicContact CD-CZ2 3.91Å; W87-F89 HydrophobicContact CB-CE1 3.83Å; W87-F89 HydrophobicContact CB-CE2 4.33Å; W87-F89 HydrophobicContact CB-CZ 3.64Å; W87-F89 HydrophobicContact CE3-CE1 4.45Å; W87-F89 HydrophobicContact CG-CZ 4.37Å; W87-R108 HydrophobicContact CZ3-CB 3.93Å; W87-F109 HydrophobicContact CD2-CB 4.31Å; W87-F109 AromaticContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CE2 4.4Å; W87-F109 HydrophobicContact CD2-CG 4.41Å; W87-F109 AromaticContact CE2-CD2 3.54Å; W87-F109 HydrophobicContact CE3-CB 3.77Å; W87-F109 AromaticContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CG 4.36Å; W87-F109 HydrophobicContact CG-CD2 4.01Å; W87-F109 HydrophobicContact CH2-CB 4.32Å; W87-F109 HydrophobicContact CH2-CD2 4.16Å; W87-F109 AromaticContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ3-CB 3.79Å; W87-F109 HydrophobicContact CZ3-CD2 4.21Å; W87-F109 VanDerWaalsContact CZ3-N 3.31Å; W87-F109 AromaticContact NE1-CD2 3.91Å; W87-E112 HydrophobicContact CH2-CB 3.86Å; W87-E112 VanDerWaalsContact CH2-CD 3.47Å; W87-E112 HydrophobicContact CH2-CG 4.22Å; W87-E112 VanDerWaalsContact CH2-OE2 3.3Å; W87-E112 WeakPolarHBondContact CH2-OE2 3.48Å; W87-E112 WeakPolarHBondContact CZ2-OE1 3.27Å
88R97.8Very high95.8Very high145 Ų14565.8 Ų65.855%0.54734%0.34SS..EExtended strand (participates in β ladder)trans-97.8110.8-176.4-64.817573-177.67.7111.2L77 G105L77-R88 CarbonylContact O-C 3.59Å; L77-R88 WeakPolarHBondContact O-CA 3.33Å; R88-G105 WeakPolarHBondContact O-CA 3.32Å; R88-G105 PolarHBondContact O-N 3.44Å; R88-G105 VanDerWaalsContact O-N 3.15Å
89F97.8Very high95.8Very high0 Ų064.5 Ų64.50%033%0.331CS..EExtended strand (participates in β ladder)trans-109.2139.8179.2-54.9-31.2000110.8L76 L77 F79 W87 M102 T103 F109 I137L76-F89 WeakPolarHBondContact CA-O 3.48Å; L77-F89 PolarHBondContact N-O 3.19Å; L77-F89 PolarHBondContact O-N 2.65Å; F79-F89 AromaticContact CD2-CD2 3.45Å; F79-F89 HydrophobicContact CD2-CD2 3.45Å; F79-F89 VanDerWaalsContact CD2-CD2 3.45Å; F79-F89 AromaticContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CG 4.39Å; F79-F89 AromaticContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CE2 4.37Å; F79-F89 HydrophobicContact CG-CD2 4.44Å; F79-F89 HydrophobicContact CG-CE2 4.37Å; W87-F89 HydrophobicContact CB-CE1 3.83Å; W87-F89 HydrophobicContact CB-CE2 4.33Å; W87-F89 HydrophobicContact CB-CZ 3.64Å; W87-F89 HydrophobicContact CE3-CE1 4.45Å; W87-F89 HydrophobicContact CG-CZ 4.37Å; F89-M102 HydrophobicContact CB-CB 4.21Å; F89-M102 HydrophobicContact CB-CG 4.43Å; F89-M102 HydrophobicContact CB-SD 4.24Å; F89-M102 HydrophobicContact CD2-SD 3.72Å; F89-M102 HydrophobicContact CG-SD 4.37Å; F89-T103 WeakPolarHBondContact CA-O 3.37Å; F89-F109 HydrophobicContact CE1-CB 4.28Å; F89-F109 HydrophobicContact CZ-CB 4.17Å; F89-F109 HydrophobicContact CZ-CG 4.29Å; F89-I137 HydrophobicContact CE2-CD1 3.72Å; F89-I137 HydrophobicContact CZ-CD1 4.05Å
90R96.2Very high95.8Very high104 Ų10466.3 Ų66.339%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-92.1117.5167.8175.1170.4-67.1-146.60.3108.4K73 L76 M102 T103 K104K73-R90 PolarHBondContact O-NH1 3.41Å; L76-R90 HydrophobicContact CD1-CB 4.45Å; R90-M102 CarbonylContact O-C 3.52Å; R90-M102 WeakPolarHBondContact O-CA 3.36Å; R90-T103 PolarHBondContact N-O 3.19Å; R90-T103 VanDerWaalsContact N-O 3.15Å; R90-T103 PolarHBondContact O-N 3.39Å; R90-T103 PolarHBondContact O-OG1 3.17Å; R90-K104 HydrophobicContact CB-CB 4.27Å
91Y96.9Very high95.8Very high0 Ų064 Ų640%033%0.327CS..EExtended strand (participates in β ladder)trans-100.2125.9178.6177.5-115.3000110.2I55 A60 F64 L66 G74 L75 L77 Y100 V101 M102I55-Y91 HydrophobicContact CB-CE2 4.41Å; I55-Y91 HydrophobicContact CG1-CD2 4.45Å; I55-Y91 HydrophobicContact CG1-CE2 4.08Å; A60-Y91 WeakPolarHBondContact CA-OH 3.43Å; A60-Y91 WeakPolarHBondContact CB-OH 3.35Å; F64-Y91 HydrophobicContact CB-CD1 4.02Å; F64-Y91 HydrophobicContact CB-CE1 3.36Å; F64-Y91 HydrophobicContact CB-CE2 4.5Å; F64-Y91 HydrophobicContact CG-CE1 4.34Å; F64-Y91 VanDerWaalsContact O-CE1 3.28Å; F64-Y91 WeakPolarHBondContact O-CE1 3.49Å; F64-Y91 PolarHBondContact O-OH 3.36Å; L66-Y91 HydrophobicContact CD1-CD1 4.23Å; L66-Y91 HydrophobicContact CD1-CE1 3.77Å; L66-Y91 HydrophobicContact CD2-CD1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y91 HydrophobicContact CD2-CE1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CE1 3.48Å; L66-Y91 HydrophobicContact CG-CD1 3.98Å; L66-Y91 HydrophobicContact CG-CE1 3.44Å; L66-Y91 VanDerWaalsContact CG-CE1 3.44Å; G74-Y91 CarbonylContact C-O 3.57Å; G74-Y91 WeakPolarHBondContact CA-O 3.48Å; L75-Y91 HydrophobicContact CB-CD1 4.46Å; L75-Y91 PolarHBondContact N-O 2.92Å; L75-Y91 PolarHBondContact O-N 2.87Å; L77-Y91 HydrophobicContact CD1-CD1 4.37Å; L77-Y91 HydrophobicContact CD1-CG 4.11Å; Y91-Y100 HydrophobicContact CE2-CD1 4.27Å; Y91-Y100 AromaticContact CZ-CD1 3.76Å; Y91-Y100 WeakPolarHBondContact OH-CD1 3.25Å; Y91-V101 WeakPolarHBondContact CA-O 3.36Å; Y91-M102 HydrophobicContact CD2-CE 4.34Å; Y91-M102 HydrophobicContact CD2-CG 3.94Å
92S95.5Very high95.8Very high12 Ų1263.8 Ų63.88%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-148.8155.2-175.2-630000110.7G74 V101G74-S92 VanDerWaalsContact CA-OG 3.26Å; G74-S92 WeakPolarHBondContact CA-OG 3.49Å; S92-V101 PolarHBondContact N-O 3.22Å; S92-V101 PolarHBondContact O-N 2.87Å
93Y95.5Very high96Very high63 Ų6358.6 Ų58.625%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-95.1123.1165.9178.5-100.4000109.7N71 Q98 Y100N71-Y93 VanDerWaalsContact OD1-CB 3.31Å; N71-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N71-Y93 PolarHBondContact OD1-N 2.84Å; N71-Y93 VanDerWaalsContact OD1-N 3.07Å; N71-Y93 PolarHBondContact OD1-O 2.78Å; Y93-Q98 VanDerWaalsContact OH-CA 3.3Å; Y93-Q98 WeakPolarHBondContact OH-CA 3.31Å; Y93-Q98 WeakPolarHBondContact OH-CB 3.38Å; Y93-Y100 AromaticContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 4Å; Y93-Y100 AromaticContact CD2-CE1 3.85Å; Y93-Y100 HydrophobicContact CD2-CE1 3.85Å; Y93-Y100 AromaticContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CG 4.02Å; Y93-Y100 AromaticContact CD2-CZ 3.82Å; Y93-Y100 HydrophobicContact CE2-CD2 4.42Å; Y93-Y100 HydrophobicContact CE2-CE2 4.16Å; Y93-Y100 HydrophobicContact CG-CD1 4.48Å; Y93-Y100 HydrophobicContact CG-CE1 4.33Å
94W93.8Very high96.1Very high97 Ų9760.8 Ų60.837%0.36731%0.305SS..EExtended strand (participates in β ladder)trans-97.3110179.4-77.823.4000109.7S96 S97 Q98 S99 V101 T103W94-S96 PolarHBondContact O-N 3.09Å; W94-S97 PolarHBondContact O-N 2.86Å; W94-Q98 WeakPolarHBondContact O-CA 3.19Å; W94-Q98 PolarHBondContact O-N 3.01Å; W94-S99 PolarHBondContact N-O 3.39Å; W94-S99 PolarHBondContact O-N 2.92Å; W94-V101 HydrophobicContact CD2-CG2 3.88Å; W94-V101 HydrophobicContact CG-CG2 3.73Å; W94-V101 HydrophobicContact CZ2-CG2 4.31Å; W94-V101 VanDerWaalsContact NE1-CG2 3.29Å; W94-T103 HydrophobicContact CZ2-CG2 4.05Å
95N92.4Very high96.2Very high125 Ų12559.9 Ų59.967%0.66830%0.296SS*.G310 helixtrans-62.1-40.1-174.8-167.855.1000112.9S97 Q98N95-S97 VanDerWaalsContact C-N 3.28Å; N95-S97 PolarHBondContact O-N 3.26Å; N95-Q98 WeakPolarHBondContact O-CG 3.43Å; N95-Q98 PolarHBondContact O-N 3.32Å; N95-Q98 VanDerWaalsContact O-N 3.14Å
96S93.8Very high96.3Very high117 Ų11756 Ų5682%0.81828%0.278SS*.G310 helixtrans-61.6-32.7-177.256.40000113.9W94W94-S96 PolarHBondContact O-N 3.09Å
97S93.8Very high96.3Very high41 Ų4153.5 Ų53.529%0.28726%0.263SS..G310 helixtrans-1084.6176.657.20000113.4W94 N95 S99W94-S97 PolarHBondContact O-N 2.86Å; N95-S97 VanDerWaalsContact C-N 3.28Å; N95-S97 PolarHBondContact O-N 3.26Å; S97-S99 PolarHBondContact O-N 3.13Å; S97-S99 VanDerWaalsContact O-N 3.15Å; S97-S99 PolarHBondContact O-OG 3.14Å
98Q95.6Very high96.3Very high152 Ų15261.7 Ų61.771%0.7129%0.294SS*.THydrogen-bonded Turntrans44.746.6-175.5-60.6-178.2-37.600113.4Y93 W94 N95Y93-Q98 VanDerWaalsContact OH-CA 3.3Å; Y93-Q98 WeakPolarHBondContact OH-CA 3.31Å; Y93-Q98 WeakPolarHBondContact OH-CB 3.38Å; W94-Q98 WeakPolarHBondContact O-CA 3.19Å; W94-Q98 PolarHBondContact O-N 3.01Å; N95-Q98 WeakPolarHBondContact O-CG 3.43Å; N95-Q98 PolarHBondContact O-N 3.32Å; N95-Q98 VanDerWaalsContact O-N 3.14Å
99S96.7Very high96.3Very high33 Ų3354.8 Ų54.823%0.23127%0.268CS..EExtended strand (participates in β ladder)trans-137141.2-169.3-680000112.1W94 S97W94-S99 PolarHBondContact N-O 3.39Å; W94-S99 PolarHBondContact O-N 2.92Å; S97-S99 PolarHBondContact O-N 3.13Å; S97-S99 VanDerWaalsContact O-N 3.15Å; S97-S99 PolarHBondContact O-OG 3.14Å
100Y97.1Very high96.3Very high38 Ų3855.6 Ų55.615%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-80.6131.3168.8-64.1-87.7000109.9I55 K57 A60 E61 L66 Y91 Y93I55-Y100 PolarHBondContact N-O 3.26Å; K57-Y100 HydrophobicContact CG-CE2 4.21Å; A60-Y100 HydrophobicContact CB-CD1 3.85Å; A60-Y100 HydrophobicContact CB-CD2 3.43Å; A60-Y100 VanDerWaalsContact CB-CD2 3.43Å; A60-Y100 HydrophobicContact CB-CE1 4.25Å; A60-Y100 HydrophobicContact CB-CE2 3.9Å; A60-Y100 HydrophobicContact CB-CG 3.4Å; A60-Y100 VanDerWaalsContact CB-CG 3.4Å; E61-Y100 HydrophobicContact CG-CE2 4.47Å; L66-Y100 HydrophobicContact CD1-CD1 3.76Å; L66-Y100 HydrophobicContact CD1-CE1 3.79Å; L66-Y100 HydrophobicContact CG-CE1 4.34Å; Y91-Y100 HydrophobicContact CE2-CD1 4.27Å; Y91-Y100 AromaticContact CZ-CD1 3.76Å; Y91-Y100 WeakPolarHBondContact OH-CD1 3.25Å; Y93-Y100 AromaticContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 4Å; Y93-Y100 AromaticContact CD2-CE1 3.85Å; Y93-Y100 HydrophobicContact CD2-CE1 3.85Å; Y93-Y100 AromaticContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CG 4.02Å; Y93-Y100 AromaticContact CD2-CZ 3.82Å; Y93-Y100 HydrophobicContact CE2-CD2 4.42Å; Y93-Y100 HydrophobicContact CE2-CE2 4.16Å; Y93-Y100 HydrophobicContact CG-CD1 4.48Å; Y93-Y100 HydrophobicContact CG-CE1 4.33Å
101V97.2Very high96.3Very high0 Ų058.3 Ų58.30%029%0.288CS..EExtended strand (participates in β ladder)trans-135.6146.2-175.1-59.50000112.9R52 L53 V54 Y91 S92 W94 T103R52-V101 HydrophobicContact CB-CB 4.43Å; L53-V101 CarbonylContact O-C 3.58Å; L53-V101 WeakPolarHBondContact O-CA 3.32Å; V54-V101 HydrophobicContact CG2-CG1 4.32Å; Y91-V101 WeakPolarHBondContact CA-O 3.36Å; S92-V101 PolarHBondContact N-O 3.22Å; S92-V101 PolarHBondContact O-N 2.87Å; W94-V101 HydrophobicContact CD2-CG2 3.88Å; W94-V101 HydrophobicContact CG-CG2 3.73Å; W94-V101 HydrophobicContact CZ2-CG2 4.31Å; W94-V101 VanDerWaalsContact NE1-CG2 3.29Å; V101-T103 HydrophobicContact CG2-CG2 4.16Å
102M97.7Very high96.4Very high0 Ų062.6 Ų62.60%031%0.307CS..EExtended strand (participates in β ladder)trans-105.7129.6164.8-67.7-172.4-172.600110.3R52 L53 I55 F64 L77 F79 F89 R90 Y91 F123R52-M102 WeakPolarHBondContact CA-O 3.28Å; L53-M102 HydrophobicContact CB-CB 4.29Å; L53-M102 PolarHBondContact N-O 2.94Å; L53-M102 PolarHBondContact O-N 3.17Å; I55-M102 HydrophobicContact CD1-CE 3.91Å; I55-M102 HydrophobicContact CD1-CG 4.08Å; I55-M102 HydrophobicContact CD1-SD 4.11Å; I55-M102 HydrophobicContact CG1-CE 4.19Å; I55-M102 HydrophobicContact CG1-CG 4.08Å; F64-M102 HydrophobicContact CD2-CE 4.22Å; F64-M102 HydrophobicContact CE2-CE 3.72Å; F64-M102 HydrophobicContact CZ-CE 4.16Å; L77-M102 HydrophobicContact CD1-CE 4Å; F79-M102 HydrophobicContact CE2-CE 4.04Å; F79-M102 HydrophobicContact CE2-SD 4.15Å; F79-M102 HydrophobicContact CZ-CE 3.87Å; F89-M102 HydrophobicContact CB-CB 4.21Å; F89-M102 HydrophobicContact CB-CG 4.43Å; F89-M102 HydrophobicContact CB-SD 4.24Å; F89-M102 HydrophobicContact CD2-SD 3.72Å; F89-M102 HydrophobicContact CG-SD 4.37Å; R90-M102 CarbonylContact O-C 3.52Å; R90-M102 WeakPolarHBondContact O-CA 3.36Å; Y91-M102 HydrophobicContact CD2-CE 4.34Å; Y91-M102 HydrophobicContact CD2-CG 3.94Å; M102-F123 HydrophobicContact CE-CE1 4.15Å; M102-F123 HydrophobicContact SD-CE1 4.02Å; M102-F123 HydrophobicContact SD-CZ 4.28Å
103T97.3Very high96.4Very high24 Ų2463.4 Ų63.415%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-128.1-166.4-177.761.60000110.7R52 F89 R90 W94 V101 G105R52-T103 HydrophobicContact CB-CG2 3.98Å; F89-T103 WeakPolarHBondContact CA-O 3.37Å; R90-T103 PolarHBondContact N-O 3.19Å; R90-T103 VanDerWaalsContact N-O 3.15Å; R90-T103 PolarHBondContact O-N 3.39Å; R90-T103 PolarHBondContact O-OG1 3.17Å; W94-T103 HydrophobicContact CZ2-CG2 4.05Å; V101-T103 HydrophobicContact CG2-CG2 4.16Å; T103-G105 PolarHBondContact O-N 2.87Å
104K96.1Very high96.5Very high121 Ų12169.5 Ų69.553%0.52633%0.332SS..EExtended strand (participates in β ladder)trans66-94.2179.3-170.3178.2-178.2169.20112.6L76 R90 W106L76-K104 HydrophobicContact CD1-CD 4.19Å; R90-K104 HydrophobicContact CB-CB 4.27Å; K104-W106 PolarHBondContact O-N 2.93Å
105G97.3Very high96.6Very high9 Ų965.1 Ų65.19%0.09332%0.316CS..THydrogen-bonded Turntrans-69.4-17.4-177.300000114.1R88 T103 S107 R108 F109R88-G105 WeakPolarHBondContact O-CA 3.32Å; R88-G105 PolarHBondContact O-N 3.44Å; R88-G105 VanDerWaalsContact O-N 3.15Å; T103-G105 PolarHBondContact O-N 2.87Å; G105-S107 PolarHBondContact O-N 2.98Å; G105-R108 WeakPolarHBondContact O-CB 3.43Å; G105-R108 PolarHBondContact O-N 3Å; G105-R108 VanDerWaalsContact O-N 3.15Å; G105-F109 PolarHBondContact O-N 2.82Å
106W98.5Very high96.9Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-56.8-48.6-175.2170.2-113000113.2D46 R52 L53 K104 R108 F109 V110 L115 V121D46-W106 HydrophobicContact CB-CZ2 4.06Å; D46-W106 PolarHBondContact O-NE1 2.71Å; R52-W106 VanDerWaalsContact C-CD1 3.44Å; L53-W106 HydrophobicContact CB-CD2 3.68Å; L53-W106 HydrophobicContact CB-CE3 4.09Å; L53-W106 HydrophobicContact CB-CG 4.03Å; L53-W106 HydrophobicContact CB-CH2 4.43Å; L53-W106 HydrophobicContact CB-CZ2 4.06Å; L53-W106 HydrophobicContact CB-CZ3 4.44Å; L53-W106 HydrophobicContact CD1-CH2 4.03Å; L53-W106 HydrophobicContact CD1-CZ2 3.99Å; L53-W106 HydrophobicContact CD2-CE3 4.08Å; L53-W106 HydrophobicContact CD2-CH2 4.25Å; L53-W106 HydrophobicContact CD2-CZ3 3.93Å; L53-W106 HydrophobicContact CG-CH2 4.48Å; L53-W106 HydrophobicContact CG-CZ2 4.46Å; K104-W106 PolarHBondContact O-N 2.93Å; W106-R108 PolarHBondContact O-N 3.17Å; W106-F109 HydrophobicContact CE3-CD1 4.05Å; W106-F109 AromaticContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CE1 4.19Å; W106-F109 WeakPolarHBondContact O-CB 3.34Å; W106-F109 PolarHBondContact O-N 3.15Å; W106-V110 HydrophobicContact CD2-CG2 3.87Å; W106-V110 HydrophobicContact CE3-CG2 4.28Å; W106-V110 HydrophobicContact CH2-CG2 3.75Å; W106-V110 HydrophobicContact CZ2-CG2 3.26Å; W106-V110 HydrophobicContact CZ3-CG2 4.23Å; W106-V110 PolarHBondContact O-N 3.02Å; W106-L115 HydrophobicContact CH2-CD1 3.85Å; W106-L115 HydrophobicContact CZ3-CD1 4.2Å; W106-V121 HydrophobicContact CH2-CG2 4.15Å; W106-V121 HydrophobicContact CZ3-CG2 4.33Å
107S97.3Very high97Very high31 Ų3160.7 Ų60.722%0.21729%0.29CS..Hα-helixtrans-64.1-29.5-179.461.10000112.9G105 K111G105-S107 PolarHBondContact O-N 2.98Å; S107-K111 VanDerWaalsContact O-CG 3.28Å; S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.14Å
108R97.5Very high97.1Very high184 Ų18459 Ų5969%0.69428%0.279SS*.Hα-helixtrans-70.7-41.2172.3-65.3-174.6179.8-173.4-2111.1W87 G105 W106 K111 E112W87-R108 HydrophobicContact CZ3-CB 3.93Å; G105-R108 WeakPolarHBondContact O-CB 3.43Å; G105-R108 PolarHBondContact O-N 3Å; G105-R108 VanDerWaalsContact O-N 3.15Å; W106-R108 PolarHBondContact O-N 3.17Å; R108-K111 PolarHBondContact O-N 3.35Å; R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 2.8Å
109F98.1Very high97.2Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-60.7-48.1177.1-175.5-103.9000111.3W87 F89 G105 W106 K111 E112 K113 L115 V121 I137 W139W87-F109 HydrophobicContact CD2-CB 4.31Å; W87-F109 AromaticContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CE2 4.4Å; W87-F109 HydrophobicContact CD2-CG 4.41Å; W87-F109 AromaticContact CE2-CD2 3.54Å; W87-F109 HydrophobicContact CE3-CB 3.77Å; W87-F109 AromaticContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CG 4.36Å; W87-F109 HydrophobicContact CG-CD2 4.01Å; W87-F109 HydrophobicContact CH2-CB 4.32Å; W87-F109 HydrophobicContact CH2-CD2 4.16Å; W87-F109 AromaticContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ3-CB 3.79Å; W87-F109 HydrophobicContact CZ3-CD2 4.21Å; W87-F109 VanDerWaalsContact CZ3-N 3.31Å; W87-F109 AromaticContact NE1-CD2 3.91Å; F89-F109 HydrophobicContact CE1-CB 4.28Å; F89-F109 HydrophobicContact CZ-CB 4.17Å; F89-F109 HydrophobicContact CZ-CG 4.29Å; G105-F109 PolarHBondContact O-N 2.82Å; W106-F109 HydrophobicContact CE3-CD1 4.05Å; W106-F109 AromaticContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CE1 4.19Å; W106-F109 WeakPolarHBondContact O-CB 3.34Å; W106-F109 PolarHBondContact O-N 3.15Å; F109-K111 PolarHBondContact O-N 3.14Å; F109-E112 PolarHBondContact O-N 2.9Å; F109-K113 HydrophobicContact CD2-CG 3.91Å; F109-K113 HydrophobicContact CE1-CG 4.47Å; F109-K113 HydrophobicContact CE2-CG 3.7Å; F109-K113 HydrophobicContact CG-CG 4.39Å; F109-K113 HydrophobicContact CZ-CG 4Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.14Å; F109-L115 HydrophobicContact CD1-CD1 3.66Å; F109-L115 HydrophobicContact CE1-CD1 3.58Å; F109-V121 HydrophobicContact CE1-CG1 4.48Å; F109-V121 HydrophobicContact CE1-CG2 4.42Å; F109-I137 HydrophobicContact CD1-CD1 4.19Å; F109-I137 HydrophobicContact CE1-CD1 3.63Å; F109-I137 HydrophobicContact CE1-CG1 4.23Å; F109-I137 HydrophobicContact CE2-CD1 4.05Å; F109-I137 HydrophobicContact CE2-CG1 4.32Å; F109-I137 HydrophobicContact CE2-CG2 4.12Å; F109-I137 HydrophobicContact CZ-CD1 3.57Å; F109-I137 HydrophobicContact CZ-CG1 3.77Å; F109-I137 HydrophobicContact CZ-CG2 4.39Å; F109-W139 HydrophobicContact CE2-CE3 4.05Å; F109-W139 HydrophobicContact CE2-CZ3 4.28Å; F109-W139 HydrophobicContact CZ-CD2 4.25Å; F109-W139 AromaticContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CZ3 4.33Å
110V97.8Very high97.3Very high16 Ų1651.2 Ų51.210%0.09724%0.24CC..Hα-helixtrans-55.2-49.9175.3170.60000111.4V47 W106 R114 L115V47-V110 HydrophobicContact CB-CG1 4.13Å; V47-V110 HydrophobicContact CG1-CG1 3.83Å; V47-V110 HydrophobicContact CG1-CG2 4.23Å; W106-V110 HydrophobicContact CD2-CG2 3.87Å; W106-V110 HydrophobicContact CE3-CG2 4.28Å; W106-V110 HydrophobicContact CH2-CG2 3.75Å; W106-V110 HydrophobicContact CZ2-CG2 3.26Å; W106-V110 HydrophobicContact CZ3-CG2 4.23Å; W106-V110 PolarHBondContact O-N 3.02Å; V110-R114 CarbonylContact O-C 3.52Å; V110-R114 WeakPolarHBondContact O-CA 3.29Å; V110-R114 PolarHBondContact O-N 3.15Å; V110-L115 HydrophobicContact CG1-CB 4.36Å; V110-L115 HydrophobicContact CG2-CD1 4.31Å; V110-L115 PolarHBondContact O-N 3.46Å
111K97.2Very high97.3Very high162 Ų16249.4 Ų49.470%0.70423%0.233SC*.Hα-helixtrans-64.9-44.9-178.7-73.5177.7-179.3-1720112.6S107 R108 F109 R114S107-K111 VanDerWaalsContact O-CG 3.28Å; S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.14Å; R108-K111 PolarHBondContact O-N 3.35Å; F109-K111 PolarHBondContact O-N 3.14Å; K111-R114 PolarHBondContact O-N 2.82Å
112E97.5Very high97.4Very high89 Ų8950.4 Ų50.442%0.41624%0.24SC..Hα-helixtrans-72.7-42.2-175.2-171.7175.2127.600112.3K85 W87 R108 F109 R114K85-E112 IonicContact NZ-OE1 3.4Å; K85-E112 PolarHBondContact NZ-OE1 2.76Å; K85-E112 IonicContact NZ-OE2 3.92Å; K85-E112 PolarHBondContact NZ-OE2 2.76Å; W87-E112 HydrophobicContact CH2-CB 3.86Å; W87-E112 VanDerWaalsContact CH2-CD 3.47Å; W87-E112 HydrophobicContact CH2-CG 4.22Å; W87-E112 VanDerWaalsContact CH2-OE2 3.3Å; W87-E112 WeakPolarHBondContact CH2-OE2 3.48Å; W87-E112 WeakPolarHBondContact CZ2-OE1 3.27Å; R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 2.8Å; F109-E112 PolarHBondContact O-N 2.9Å; E112-R114 PolarHBondContact O-N 3.15Å
113K96.5Very high97.4Very high29 Ų2950.5 Ų50.513%0.12624%0.241CC..Hα-helixtrans-84.6-2.5177.5-53.7-41.1-169.8-1770112.6D81 F109 L115 W139 R141D81-K113 VanDerWaalsContact OD2-CE 3.24Å; D81-K113 WeakPolarHBondContact OD2-CE 3.3Å; D81-K113 IonicContact OD2-NZ 2.65Å; D81-K113 PolarHBondContact OD2-NZ 2.59Å; F109-K113 HydrophobicContact CD2-CG 3.91Å; F109-K113 HydrophobicContact CE1-CG 4.47Å; F109-K113 HydrophobicContact CE2-CG 3.7Å; F109-K113 HydrophobicContact CG-CG 4.39Å; F109-K113 HydrophobicContact CZ-CG 4Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.14Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 HydrophobicContact CB-CD2 4.24Å; K113-L115 HydrophobicContact CB-CG 4.16Å; K113-L115 PolarHBondContact O-N 3.11Å; K113-W139 HydrophobicContact CB-CD2 4.08Å; K113-W139 HydrophobicContact CB-CG 4.39Å; K113-W139 HydrophobicContact CB-CZ2 4.16Å; K113-W139 HydrophobicContact CD-CD2 4.45Å; K113-W139 HydrophobicContact CD-CE3 4.45Å; K113-W139 HydrophobicContact CD-CH2 3.47Å; K113-W139 VanDerWaalsContact CD-CH2 3.47Å; K113-W139 HydrophobicContact CD-CZ2 3.4Å; K113-W139 VanDerWaalsContact CD-CZ2 3.4Å; K113-W139 HydrophobicContact CD-CZ3 4Å; K113-W139 HydrophobicContact CG-CD2 3.95Å; K113-W139 HydrophobicContact CG-CE3 4.08Å; K113-W139 HydrophobicContact CG-CH2 4Å; K113-W139 HydrophobicContact CG-CZ2 3.82Å; K113-W139 HydrophobicContact CG-CZ3 4.11Å; K113-R141 PolarHBondContact O-NH2 3.37Å; K113-R141 VanDerWaalsContact O-NH2 3.15Å
114R96.9Very high97.4Very high192 Ų19249.7 Ų49.773%0.72524%0.237SC*.THydrogen-bonded Turntrans54.142.2-178.4-58.7179.2-178.8-173.1-0.3112.4V110 K111 E112 R141V110-R114 CarbonylContact O-C 3.52Å; V110-R114 WeakPolarHBondContact O-CA 3.29Å; V110-R114 PolarHBondContact O-N 3.15Å; K111-R114 PolarHBondContact O-N 2.82Å; E112-R114 PolarHBondContact O-N 3.15Å; R114-R141 PolarHBondContact O-NH1 3.03Å; R114-R141 PolarHBondContact O-NH2 3.41Å
115L97.2Very high97.3Very high5 Ų549 Ų493%0.02623%0.231CC..  trans-66.4140.3-175.4-63.8179.8000112V47 W106 F109 V110 K113 D119 V121 W139V47-L115 HydrophobicContact CG1-CB 4.21Å; V47-L115 WeakPolarHBondContact CG1-O 3.44Å; W106-L115 HydrophobicContact CH2-CD1 3.85Å; W106-L115 HydrophobicContact CZ3-CD1 4.2Å; F109-L115 HydrophobicContact CD1-CD1 3.66Å; F109-L115 HydrophobicContact CE1-CD1 3.58Å; V110-L115 HydrophobicContact CG1-CB 4.36Å; V110-L115 HydrophobicContact CG2-CD1 4.31Å; V110-L115 PolarHBondContact O-N 3.46Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 HydrophobicContact CB-CD2 4.24Å; K113-L115 HydrophobicContact CB-CG 4.16Å; K113-L115 PolarHBondContact O-N 3.11Å; L115-D119 HydrophobicContact CD2-CB 4.45Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; L115-W139 HydrophobicContact CD2-CB 3.75Å; L115-W139 HydrophobicContact CD2-CG 3.8Å
116D97.1Very high97.2Very high99 Ų9949.1 Ų49.153%0.52923%0.232SC..  trans-118.5162.9176-72.6-59.9000112.1G118 D119 R141D116-G118 PolarHBondContact O-N 2.94Å; D116-D119 PolarHBondContact N-OD2 2.83Å; D116-D119 WeakPolarHBondContact O-CB 3.4Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 VanDerWaalsContact O-N 3.13Å; D116-R141 IonicContact OD2-NH1 3.79Å; D116-R141 PolarHBondContact OD2-NH1 3.25Å
117A96.5Very high96.8Very high49 Ų4951.9 Ų51.941%0.40525%0.249SC..THydrogen-bonded Turntrans-60.5126174.400000109.6P44 V47P44-A117 HydrophobicContact CB-CB 4.44Å; P44-A117 HydrophobicContact CG-CB 3.98Å; V47-A117 HydrophobicContact CG2-CB 4.14Å
118G96.6Very high96.4Very high7 Ų752.6 Ų52.67%0.07226%0.261CS..THydrogen-bonded Turntrans101-13-177.900000115.3V42 D116 R142V42-G118 PolarHBondContact O-N 3.3Å; D116-G118 PolarHBondContact O-N 2.94Å; G118-R142 PolarHBondContact O-NE 2.91Å
119D97.7Very high95.8Very high8 Ų851.1 Ų51.14%0.04326%0.262CS..  trans-63.2161.7166.2-71.1-17.5000110.3V41 V42 L115 D116 R141 R142V41-D119 WeakPolarHBondContact CA-O 3.38Å; V42-D119 WeakPolarHBondContact CB-O 3.42Å; V42-D119 WeakPolarHBondContact CG2-O 3.28Å; V42-D119 PolarHBondContact N-O 3.22Å; L115-D119 HydrophobicContact CD2-CB 4.45Å; D116-D119 PolarHBondContact N-OD2 2.83Å; D116-D119 WeakPolarHBondContact O-CB 3.4Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 VanDerWaalsContact O-N 3.13Å; D119-R141 VanDerWaalsContact OD1-CA 3.28Å; D119-R141 WeakPolarHBondContact OD1-CA 3.42Å; D119-R141 WeakPolarHBondContact OD2-CD 3.39Å; D119-R141 IonicContact OD2-CZ 3.68Å; D119-R141 IonicContact OD2-NE 3.25Å; D119-R141 IonicContact OD2-NH1 3.36Å; D119-R141 PolarHBondContact OD2-NH1 2.91Å; D119-R142 PolarHBondContact OD1-N 3.44Å
120T97.9Very high95Very high13 Ų1355.9 Ų55.98%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-115.3132.4175.9-52.60000110.9D39 K40 W139 R140D39-T120 HydrophobicContact CB-CG2 3.81Å; K40-T120 WeakPolarHBondContact O-CA 2.78Å; T120-W139 CarbonylContact O-C 3.54Å; T120-W139 VanDerWaalsContact O-CA 3.28Å; T120-W139 WeakPolarHBondContact O-CA 3.41Å; T120-R140 HydrophobicContact CG2-CG 4.47Å; T120-R140 VanDerWaalsContact CG2-CZ 3.41Å; T120-R140 PolarHBondContact N-O 2.75Å; T120-R140 PolarHBondContact O-N 3.07Å; T120-R140 PolarHBondContact OG1-NE 2.95Å
121V98.3Very high94.4Very high0 Ų055.2 Ų55.20%030%0.298CS..EExtended strand (participates in β ladder)trans-104.3132170.6179.60000108.5K40 V42 W106 F109 L115 F123 I137 D138K40-V121 PolarHBondContact N-O 2.87Å; K40-V121 PolarHBondContact O-N 2.84Å; V42-V121 HydrophobicContact CG2-CG2 3.64Å; W106-V121 HydrophobicContact CH2-CG2 4.15Å; W106-V121 HydrophobicContact CZ3-CG2 4.33Å; F109-V121 HydrophobicContact CE1-CG1 4.48Å; F109-V121 HydrophobicContact CE1-CG2 4.42Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; V121-F123 HydrophobicContact CB-CE2 4.29Å; V121-F123 HydrophobicContact CG1-CD2 4.28Å; V121-F123 HydrophobicContact CG1-CE1 4.43Å; V121-F123 HydrophobicContact CG1-CE2 3.59Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å; V121-I137 HydrophobicContact CG1-CD1 3.67Å; V121-I137 HydrophobicContact CG1-CG1 3.74Å; V121-D138 WeakPolarHBondContact CA-O 3.37Å
122S98Very high93.8Very high21 Ų2156.6 Ų56.615%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-112.5134.7-179-63.40000109.8D39 I137 D138D39-S122 VanDerWaalsContact OD1-CB 3.25Å; D39-S122 WeakPolarHBondContact OD1-CB 3.33Å; D39-S122 PolarHBondContact OD1-OG 2.98Å; S122-I137 WeakPolarHBondContact O-CA 3.48Å; S122-D138 PolarHBondContact N-O 2.88Å; S122-D138 PolarHBondContact O-N 2.88Å
123F98.1Very high93.4Very high2 Ų255.8 Ų55.81%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-114.5139.4177.7-64.6-89000110M37 F38 L53 F79 M102 V121 F136 I137M37-F123 WeakPolarHBondContact CB-O 3.37Å; M37-F123 PolarHBondContact N-O 3.13Å; F38-F123 HydrophobicContact CD1-CB 4.2Å; F38-F123 AromaticContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CE1-CB 3.8Å; F38-F123 HydrophobicContact CE1-CD2 4.07Å; F38-F123 HydrophobicContact CE1-CG 4.05Å; F38-F123 HydrophobicContact CE2-CB 4.47Å; F38-F123 AromaticContact CE2-CD2 3.28Å; F38-F123 HydrophobicContact CE2-CD2 3.28Å; F38-F123 AromaticContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CG 4.09Å; F38-F123 HydrophobicContact CZ-CB 3.95Å; F38-F123 AromaticContact CZ-CD2 3.33Å; F38-F123 HydrophobicContact CZ-CD2 3.33Å; F38-F123 AromaticContact CZ-CE2 3.91Å; F38-F123 HydrophobicContact CZ-CE2 3.91Å; F38-F123 AromaticContact CZ-CG 3.67Å; F38-F123 HydrophobicContact CZ-CG 3.67Å; F38-F123 PolarHBondContact N-O 3.41Å; F38-F123 PolarHBondContact O-N 3.18Å; L53-F123 HydrophobicContact CD2-CE2 4.14Å; L53-F123 HydrophobicContact CD2-CZ 3.64Å; F79-F123 AromaticContact CD1-CD1 3.99Å; F79-F123 HydrophobicContact CD1-CD1 3.99Å; F79-F123 AromaticContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CE1 4.18Å; F79-F123 AromaticContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CE1 4.18Å; M102-F123 HydrophobicContact CE-CE1 4.15Å; M102-F123 HydrophobicContact SD-CE1 4.02Å; M102-F123 HydrophobicContact SD-CZ 4.28Å; V121-F123 HydrophobicContact CB-CE2 4.29Å; V121-F123 HydrophobicContact CG1-CD2 4.28Å; V121-F123 HydrophobicContact CG1-CE1 4.43Å; V121-F123 HydrophobicContact CG1-CE2 3.59Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å; F123-F136 WeakPolarHBondContact CA-O 3.41Å; F123-I137 HydrophobicContact CE1-CD1 3.83Å; F123-I137 HydrophobicContact CE1-CG1 4.26Å; F123-I137 HydrophobicContact CZ-CD1 4.15Å
124G96.7Very high93.4Very high7 Ų758.6 Ų58.67%0.07232%0.324CS..EExtended strand (participates in β ladder)trans-143.6168178.400000112.8E35 L135 F136E35-G124 CarbonylContact O-C 3.55Å; E35-G124 WeakPolarHBondContact O-CA 3.46Å; G124-L135 CarbonylContact O-C 3.12Å; G124-L135 WeakPolarHBondContact O-CA 3.28Å; G124-F136 PolarHBondContact N-O 2.96Å; G124-F136 PolarHBondContact O-N 2.92Å
125R95.4Very high93.4Very high107 Ų10750.7 Ų50.740%0.40430%0.296SS..EExtended strand (participates in β ladder)trans-126.8152.3174.565.3-179.7-174.8-168.3-2110.6K34 E35 M37 R134 L135K34-R125 CarbonylContact C-O 3.6Å; K34-R125 WeakPolarHBondContact CA-O 3.36Å; E35-R125 HydrophobicContact CB-CG 4.04Å; E35-R125 VanDerWaalsContact CD-NE 3.31Å; E35-R125 PolarHBondContact N-O 2.76Å; E35-R125 PolarHBondContact O-N 2.95Å; E35-R125 IonicContact OE1-CZ 3.45Å; E35-R125 IonicContact OE1-NE 3.56Å; E35-R125 IonicContact OE1-NH2 2.76Å; E35-R125 PolarHBondContact OE1-NH2 2.85Å; E35-R125 IonicContact OE2-CZ 3.12Å; E35-R125 IonicContact OE2-NE 2.73Å; E35-R125 PolarHBondContact OE2-NE 2.86Å; E35-R125 IonicContact OE2-NH2 2.71Å; E35-R125 PolarHBondContact OE2-NH2 3.41Å; M37-R125 HydrophobicContact CG-CB 4.43Å; M37-R125 HydrophobicContact CG-CG 4.21Å; M37-R125 HydrophobicContact SD-CB 3.75Å; M37-R125 HydrophobicContact SD-CG 4.14Å; R125-R134 CarbonylContact C-O 3.5Å; R125-R134 WeakPolarHBondContact CA-O 3.3Å; R125-L135 HydrophobicContact CB-CD2 4.16Å
126G94.2Very high93.4Very high10 Ų1051 Ų5110%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-68.5138.1173.700000112.2R134G126-R134 PolarHBondContact N-O 3.29Å
127V91.5Very high93.4Very high58 Ų5846.5 Ų46.535%0.35227%0.273SS..  trans-103.6143.2172.1-176.30000108.9E33 E35E33-V127 HydrophobicContact CB-CB 4.06Å; E33-V127 PolarHBondContact O-N 3.02Å; E35-V127 HydrophobicContact CB-CG2 3.42Å; E35-V127 VanDerWaalsContact CB-CG2 3.42Å
128G87.6Confident93.5Very high47 Ų4747.1 Ų47.149%0.48527%0.27SS..SBendtrans89.9163.4-178.400000113.5A130 A131 R132G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.15Å; G128-A131 PolarHBondContact O-N 2.72Å; G128-R132 PolarHBondContact O-N 3.12Å; G128-R132 VanDerWaalsContact O-N 3.07Å
129E84.7Confident93.5Very high152 Ų15248.2 Ų48.271%0.7127%0.271SS*.G310 helixtrans-60.2-38.1-175.3-73.4-61.9119.900112.4A131 R132E129-A131 PolarHBondContact O-N 3.5Å; E129-R132 IonicContact OE1-NH1 3.6Å
130A81.1Confident93.5Very high100 Ų10053.6 Ų53.683%0.82629%0.291SS*.G310 helixtrans-67.8-20.3-179.100000114.3G128G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.15Å
131A86.1Confident93.3Very high2 Ų258.2 Ų58.22%0.01731%0.307CS..G310 helixtrans-121.65.7-175.600000113.8V32 G128 E129 G133 R134V32-A131 HydrophobicContact CB-CB 4.49Å; V32-A131 HydrophobicContact CG1-CB 3.3Å; V32-A131 HydrophobicContact CG2-CB 4.44Å; G128-A131 PolarHBondContact O-N 2.72Å; E129-A131 PolarHBondContact O-N 3.5Å; A131-G133 PolarHBondContact O-N 3.41Å; A131-R134 WeakPolarHBondContact O-CB 3.44Å; A131-R134 PolarHBondContact O-N 2.8Å
132R85.4Confident92.9Very high191 Ų19165.1 Ų65.172%0.72133%0.333SS*.THydrogen-bonded Turntrans-56.9124.9-179.9-168.3173.3178.1177.3-3110.2G128 E129 R134G128-R132 PolarHBondContact O-N 3.12Å; G128-R132 VanDerWaalsContact O-N 3.07Å; E129-R132 IonicContact OE1-NH1 3.6Å; R132-R134 VanDerWaalsContact C-N 3.33Å; R132-R134 PolarHBondContact O-N 3.47Å
133G88.8Confident92Very high73 Ų7369.5 Ų69.575%0.75336%0.361SS*.THydrogen-bonded Turntrans85.2-6.3-178.600000115.5A131A131-G133 PolarHBondContact O-N 3.41Å
134R94.8Very high90.9Very high88 Ų8876.4 Ų76.433%0.33240%0.398SS..  trans-77.8136.1171-66.7174.169.8-171-1.4110E80 R125 G126 A131 R132 F136E80-R134 IonicContact OE1-CZ 3.55Å; E80-R134 IonicContact OE1-NE 3.07Å; E80-R134 PolarHBondContact OE1-NE 2.9Å; E80-R134 IonicContact OE1-NH2 2.76Å; E80-R134 PolarHBondContact OE1-NH2 3.44Å; E80-R134 IonicContact OE2-CZ 2.82Å; E80-R134 IonicContact OE2-NE 3.65Å; E80-R134 IonicContact OE2-NH2 2.76Å; E80-R134 PolarHBondContact OE2-NH2 3.12Å; R125-R134 CarbonylContact C-O 3.5Å; R125-R134 WeakPolarHBondContact CA-O 3.3Å; G126-R134 PolarHBondContact N-O 3.29Å; A131-R134 WeakPolarHBondContact O-CB 3.44Å; A131-R134 PolarHBondContact O-N 2.8Å; R132-R134 VanDerWaalsContact C-N 3.33Å; R132-R134 PolarHBondContact O-N 3.47Å; R134-F136 HydrophobicContact CB-CE2 4.03Å; R134-F136 HydrophobicContact CB-CZ 4.02Å
135L96.9Very high89.8Confident26 Ų2680.7 Ų80.714%0.13643%0.425CS..EExtended strand (participates in β ladder)trans-113.2147175.9-56.7172.7000109.2M37 F64 L77 F79 E80 G124 R125M37-L135 HydrophobicContact SD-CD2 4.45Å; F64-L135 HydrophobicContact CE1-CD1 4.19Å; F64-L135 HydrophobicContact CE1-CD2 4.44Å; L77-L135 HydrophobicContact CB-CD1 4.2Å; L77-L135 HydrophobicContact CD2-CD1 3.94Å; L77-L135 HydrophobicContact CG-CD1 4.5Å; F79-L135 CarbonylContact C-O 3.48Å; F79-L135 VanDerWaalsContact CA-O 3.32Å; F79-L135 WeakPolarHBondContact CA-O 3.42Å; F79-L135 HydrophobicContact CD1-CB 3.39Å; F79-L135 HydrophobicContact CD1-CD1 4.41Å; F79-L135 HydrophobicContact CD1-CG 4.49Å; F79-L135 HydrophobicContact CE1-CB 3.52Å; F79-L135 HydrophobicContact CE1-CD1 3.88Å; F79-L135 HydrophobicContact CE1-CG 4.2Å; F79-L135 HydrophobicContact CE2-CD1 4.34Å; F79-L135 HydrophobicContact CG-CB 4.06Å; F79-L135 HydrophobicContact CZ-CB 4.29Å; F79-L135 HydrophobicContact CZ-CD1 3.84Å; E80-L135 PolarHBondContact N-O 2.87Å; G124-L135 CarbonylContact O-C 3.12Å; G124-L135 WeakPolarHBondContact O-CA 3.28Å; R125-L135 HydrophobicContact CB-CD2 4.16Å
136F97.3Very high88.6Confident12 Ų1280.8 Ų80.85%0.05344%0.439CS..EExtended strand (participates in β ladder)trans-126.5145.2-176.9-61.9-78.6000110.9V32 K34 E80 F123 G124 R134V32-F136 HydrophobicContact CG1-CE2 4.02Å; V32-F136 HydrophobicContact CG1-CZ 3.8Å; K34-F136 HydrophobicContact CB-CD2 4.37Å; K34-F136 HydrophobicContact CD-CB 4.16Å; K34-F136 HydrophobicContact CD-CD1 3.96Å; K34-F136 HydrophobicContact CD-CD2 3.82Å; K34-F136 HydrophobicContact CD-CE1 4.33Å; K34-F136 HydrophobicContact CD-CE2 4.2Å; K34-F136 HydrophobicContact CD-CG 3.69Å; K34-F136 HydrophobicContact CD-CZ 4.44Å; K34-F136 VanDerWaalsContact CE-CD1 3.5Å; K34-F136 HydrophobicContact CG-CD2 3.71Å; K34-F136 HydrophobicContact CG-CE2 3.82Å; K34-F136 HydrophobicContact CG-CG 4.13Å; K34-F136 HydrophobicContact CG-CZ 4.33Å; E80-F136 HydrophobicContact CB-CD1 3.88Å; E80-F136 HydrophobicContact CB-CE1 4.03Å; E80-F136 CarbonylContact O-C 3.48Å; E80-F136 VanDerWaalsContact O-CA 3.27Å; E80-F136 WeakPolarHBondContact O-CA 3.28Å; F123-F136 WeakPolarHBondContact CA-O 3.41Å; G124-F136 PolarHBondContact N-O 2.96Å; G124-F136 PolarHBondContact O-N 2.92Å; R134-F136 HydrophobicContact CB-CE2 4.03Å; R134-F136 HydrophobicContact CB-CZ 4.02Å
137I98.1Very high87.2Confident3 Ų385.8 Ų85.82%0.01547%0.468CS..EExtended strand (participates in β ladder)trans-129.2135.6175.3-173.7167.6000110.1F79 E80 D81 F89 F109 V121 S122 F123F79-I137 HydrophobicContact CB-CB 3.88Å; F79-I137 HydrophobicContact CB-CG2 3.64Å; F79-I137 HydrophobicContact CD1-CB 4.35Å; F79-I137 HydrophobicContact CG-CB 4.33Å; E80-I137 PolarHBondContact O-N 2.81Å; D81-I137 VanDerWaalsContact CA-O 3.32Å; D81-I137 WeakPolarHBondContact CA-O 3.36Å; D81-I137 HydrophobicContact CB-CG2 4.17Å; F89-I137 HydrophobicContact CE2-CD1 3.72Å; F89-I137 HydrophobicContact CZ-CD1 4.05Å; F109-I137 HydrophobicContact CD1-CD1 4.19Å; F109-I137 HydrophobicContact CE1-CD1 3.63Å; F109-I137 HydrophobicContact CE1-CG1 4.23Å; F109-I137 HydrophobicContact CE2-CD1 4.05Å; F109-I137 HydrophobicContact CE2-CG1 4.32Å; F109-I137 HydrophobicContact CE2-CG2 4.12Å; F109-I137 HydrophobicContact CZ-CD1 3.57Å; F109-I137 HydrophobicContact CZ-CG1 3.77Å; F109-I137 HydrophobicContact CZ-CG2 4.39Å; V121-I137 HydrophobicContact CG1-CD1 3.67Å; V121-I137 HydrophobicContact CG1-CG1 3.74Å; S122-I137 WeakPolarHBondContact O-CA 3.48Å; F123-I137 HydrophobicContact CE1-CD1 3.83Å; F123-I137 HydrophobicContact CE1-CG1 4.26Å; F123-I137 HydrophobicContact CZ-CD1 4.15Å
138D97.5Very high85.8Confident62 Ų6287.8 Ų87.833%0.33248%0.48SS..EExtended strand (participates in β ladder)trans-134.1169.9170.4-150.1-19.8000110.3R82 V121 S122R82-D138 IonicContact CZ-OD1 2.63Å; R82-D138 IonicContact NH1-OD1 2.82Å; R82-D138 PolarHBondContact NH1-OD1 2.61Å; V121-D138 WeakPolarHBondContact CA-O 3.37Å; S122-D138 PolarHBondContact N-O 2.88Å; S122-D138 PolarHBondContact O-N 2.88Å
139W97.3Very high84.2Confident30 Ų3092.7 Ų92.711%0.11449%0.49CS..EExtended strand (participates in β ladder)trans-145.4141.7177.868.5100.3000111.5D81 R82 F109 K113 L115 T120D81-W139 HydrophobicContact CB-CZ3 4.05Å; R82-W139 HydrophobicContact CG-CH2 4.05Å; R82-W139 HydrophobicContact CG-CZ3 4.17Å; R82-W139 PolarHBondContact NH1-O 3.19Å; F109-W139 HydrophobicContact CE2-CE3 4.05Å; F109-W139 HydrophobicContact CE2-CZ3 4.28Å; F109-W139 HydrophobicContact CZ-CD2 4.25Å; F109-W139 AromaticContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CZ3 4.33Å; K113-W139 HydrophobicContact CB-CD2 4.08Å; K113-W139 HydrophobicContact CB-CG 4.39Å; K113-W139 HydrophobicContact CB-CZ2 4.16Å; K113-W139 HydrophobicContact CD-CD2 4.45Å; K113-W139 HydrophobicContact CD-CE3 4.45Å; K113-W139 HydrophobicContact CD-CH2 3.47Å; K113-W139 VanDerWaalsContact CD-CH2 3.47Å; K113-W139 HydrophobicContact CD-CZ2 3.4Å; K113-W139 VanDerWaalsContact CD-CZ2 3.4Å; K113-W139 HydrophobicContact CD-CZ3 4Å; K113-W139 HydrophobicContact CG-CD2 3.95Å; K113-W139 HydrophobicContact CG-CE3 4.08Å; K113-W139 HydrophobicContact CG-CH2 4Å; K113-W139 HydrophobicContact CG-CZ2 3.82Å; K113-W139 HydrophobicContact CG-CZ3 4.11Å; L115-W139 HydrophobicContact CD2-CB 3.75Å; L115-W139 HydrophobicContact CD2-CG 3.8Å; T120-W139 CarbonylContact O-C 3.54Å; T120-W139 VanDerWaalsContact O-CA 3.28Å; T120-W139 WeakPolarHBondContact O-CA 3.41Å
140R96.8Very high83Confident122 Ų12291.7 Ų91.746%0.4649%0.485SS..EExtended strand (participates in β ladder)trans-123140172.161.3176.7-178.4-105.69110.1D39 T120D39-R140 IonicContact OD1-NH1 2.72Å; D39-R140 IonicContact OD2-CZ 3.66Å; D39-R140 VanDerWaalsContact OD2-CZ 3.25Å; D39-R140 IonicContact OD2-NH1 3.88Å; D39-R140 PolarHBondContact OD2-NH1 3.24Å; D39-R140 IonicContact OD2-NH2 3.78Å; D39-R140 PolarHBondContact OD2-NH2 3.41Å; T120-R140 HydrophobicContact CG2-CG 4.47Å; T120-R140 VanDerWaalsContact CG2-CZ 3.41Å; T120-R140 PolarHBondContact N-O 2.75Å; T120-R140 PolarHBondContact O-N 3.07Å; T120-R140 PolarHBondContact OG1-NE 2.95Å
141R95.6Very high81.4Confident110 Ų11094 Ų9442%0.41548%0.479SS..PPolyproline II helixtrans-68.2144.8171.3-65.3-65.7-175.1172.92.9109.5K113 R114 D116 D119K113-R141 PolarHBondContact O-NH2 3.37Å; K113-R141 VanDerWaalsContact O-NH2 3.15Å; R114-R141 PolarHBondContact O-NH1 3.03Å; R114-R141 PolarHBondContact O-NH2 3.41Å; D116-R141 IonicContact OD2-NH1 3.79Å; D116-R141 PolarHBondContact OD2-NH1 3.25Å; D119-R141 VanDerWaalsContact OD1-CA 3.28Å; D119-R141 WeakPolarHBondContact OD1-CA 3.42Å; D119-R141 WeakPolarHBondContact OD2-CD 3.39Å; D119-R141 IonicContact OD2-CZ 3.68Å; D119-R141 IonicContact OD2-NE 3.25Å; D119-R141 IonicContact OD2-NH1 3.36Å; D119-R141 PolarHBondContact OD2-NH1 2.91Å
142R89.1Confident79.6Confident145 Ų145102.2 Ų102.255%0.54751%0.51SS..PPolyproline II helixtrans-54.9129.3164.1177.3174.4-71.6-154.1-2.5108.4G118 D119 D144G118-R142 PolarHBondContact O-NE 2.91Å; D119-R142 PolarHBondContact OD1-N 3.44Å; R142-D144 PolarHBondContact O-N 3.44Å
143P79.4Confident77.7Confident113 Ų11399.3 Ų99.373%0.73450%0.504SS*.PPolyproline II helixtrans-59.1129.7166.9-19.831.8000108.3
144D75Confident75.9Confident146 Ų146103 Ų10378%0.78150%0.502SS*.PPolyproline II helixtrans-50.5135.1174-69.7-44.9000108.4R142R142-D144 PolarHBondContact O-N 3.44Å
145P72.1Confident73.6Confident97 Ų97106.3 Ų106.363%0.6352%0.521SS*.PPolyproline II helixtrans-52.2135.7172.923.6-31.6000106.9V147P145-V147 PolarHBondContact O-N 3.2Å
146P71.4Confident71.3Confident110 Ų110116.2 Ų116.271%0.71456%0.557SS**PPolyproline II helixtrans-51.4125.3173.622.6-31.5000105.8V148P146-V148 PolarHBondContact O-N 2.89Å
147V65.5Low69.5Low115 Ų115122.8 Ų122.870%0.69759%0.591SS**  trans-63.187.3174.2-176.60000105.1P145 H149P145-V147 PolarHBondContact O-N 3.2Å; V147-H149 PolarHBondContact O-N 3.35Å; V147-H149 PolarHBondContact O-ND1 2.63Å
148V60.4Low67.3Low99 Ų99128.5 Ų128.560%0.663%0.628SS**  trans-65.991.8162.1-170.70000101.8P146 H150P146-V148 PolarHBondContact O-N 2.89Å; V148-H150 WeakPolarHBondContact CG1-ND1 3.44Å; V148-H150 PolarHBondContact O-N 3.33Å; V148-H150 PolarHBondContact O-ND1 3.32Å
149H55.7Low65.5Low150 Ų150133.2 Ų133.269%0.69465%0.653SS**  trans-5492.9153.4-72.275.7000103V147 Q151V147-H149 PolarHBondContact O-N 3.35Å; V147-H149 PolarHBondContact O-ND1 2.63Å; H149-Q151 PolarHBondContact O-N 3.18Å
150H59.2Low63.5Low132 Ų132137.6 Ų137.661%0.61169%0.685SS**  trans-61.984.2153.8-8068.8000102.6V148 Y152V148-H150 WeakPolarHBondContact CG1-ND1 3.44Å; V148-H150 PolarHBondContact O-N 3.33Å; V148-H150 PolarHBondContact O-ND1 3.32Å; H150-Y152 HydrophobicContact CB-CD2 4.16Å; H150-Y152 HydrophobicContact CB-CE2 4.01Å; H150-Y152 WeakPolarHBondContact O-CD2 3.18Å; H150-Y152 PolarHBondContact O-N 3.13Å
151Q47Very low61.3Low149 Ų149138 Ų13870%0.69671%0.706SS**  trans-54.590.1143-78.2-175.4-29.700102.9H149 H153H149-Q151 PolarHBondContact O-N 3.18Å; Q151-H153 PolarHBondContact O-N 2.79Å
152Y48.9Very low59.5Low173 Ų173136.8 Ų136.868%0.67872%0.72SS**  trans-55.186146.9-66.9-83.5000103.7H150 H154H150-Y152 HydrophobicContact CB-CD2 4.16Å; H150-Y152 HydrophobicContact CB-CE2 4.01Å; H150-Y152 WeakPolarHBondContact O-CD2 3.18Å; H150-Y152 PolarHBondContact O-N 3.13Å; Y152-H154 PolarHBondContact O-N 3.22Å
153H45.5Very low57.9Low130 Ų130136.4 Ų136.460%0.60273%0.734SS**  trans-59.684.1143.6-81.1-44.3000103.9Q151 H155Q151-H153 PolarHBondContact O-N 2.79Å; H153-H155 PolarHBondContact O-N 3.24Å
154H49.5Very low57Low150 Ų150136.6 Ų136.669%0.69473%0.733SS**  trans-54.590.6148.5-66.9-71.4000104Y152 R156Y152-H154 PolarHBondContact O-N 3.22Å; H154-R156 PolarHBondContact O-N 2.91Å
155H48Very low56Low159 Ų159135.9 Ų135.974%0.73674%0.736SS**  trans-60.885.4156.4-64.9-54.6000104.6H153 L157H153-H155 PolarHBondContact O-N 3.24Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 2.93Å
156R48.3Very low55.5Low234 Ų234140.6 Ų140.688%0.88374%0.742SS**  trans-59.699.9163.9-96.2-169166.9-177.3-2.6104.7H154H154-R156 PolarHBondContact O-N 2.91Å
157L59.1Low54.6Low150 Ų150139.9 Ų139.979%0.78575%0.746SS**  trans-53.1129.1166-63.6172.2000107.3H155 L159H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 2.93Å; L157-L159 PolarHBondContact O-N 2.83Å; L157-L159 VanDerWaalsContact O-N 3.16Å
158P52Low54.2Low122 Ų122138 Ų13879%0.79274%0.736SS**  trans-68.4114.8175.627-29.2000107.9
159L59.1Low54.2Low162 Ų162144.1 Ų144.185%0.84875%0.748SS**  trans-61.9132.6168.2-78.1154000108.5L157 S161L157-L159 PolarHBondContact O-N 2.83Å; L157-L159 VanDerWaalsContact O-N 3.16Å; L159-S161 PolarHBondContact O-N 3.15Å
160P56.7Low53.7Low121 Ų121141.2 Ų141.279%0.78675%0.75SS**  trans-70.7118.9173.628-31.1000109.7A162P160-A162 PolarHBondContact O-N 3.44Å
161S50.5Low53.2Low130 Ų130139.9 Ų139.991%0.90976%0.762SS**  trans-68.8106165.2-68.30000109.9L159L159-S161 PolarHBondContact O-N 3.15Å
162A56.6Low53.2Low85 Ų85137 Ų13770%0.70276%0.764SS**  trans-156.897.2160.400000107.4P160P160-A162 PolarHBondContact O-N 3.44Å
163V55.5Low53Low138 Ų138132.8 Ų132.884%0.83677%0.765SS**  59.3106.696.5178.50000112
164V61.9Low53.1Low117 Ų117135.3 Ų135.371%0.70978%0.776SS**  166.3115.5120.5170.10000107.8
165P53.7Low52.9Low130 Ų130131.9 Ų131.984%0.84477%0.774SS**  trans-92.8120.9156.932.5-21.8000108.6
166Y60.9Low52.9Low197 Ų197131.9 Ų131.977%0.77377%0.774SS**  trans-119.7101.2166-168.7-98.1000108.6P168Y166-P168 HydrophobicContact CD1-CG 4.24Å; Y166-P168 HydrophobicContact CE1-CB 3.86Å; Y166-P168 HydrophobicContact CE1-CG 3.87Å
167A53.4Low53Low95 Ų95127.3 Ų127.379%0.78576%0.762SS**  trans-97.1130.216300000107.9
168P56.8Low52.4Low74 Ų74127.8 Ų127.848%0.48176%0.76SS.*  trans-110.4138.6162.235.6-24.4000110.6Y166Y166-P168 HydrophobicContact CD1-CG 4.24Å; Y166-P168 HydrophobicContact CE1-CB 3.86Å; Y166-P168 HydrophobicContact CE1-CG 3.87Å
169W59.5Low52Low228 Ų228129.1 Ų129.186%0.86476%0.756SS**  trans60.1112.5152.182.8-76.9000118.5
170A46.6Very low51.4Low89 Ų89130.9 Ų130.974%0.73675%0.753SS**  cis78.2132.440.900000116
171A47.1Very low51.5Low104 Ų104130.5 Ų130.586%0.8675%0.75SS**  trans88.8134.9170.300000116.5
172A46.6Very low51.3Low89 Ų89129 Ų12974%0.73675%0.745SS**  cis-168.5130.2-3.100000105.9
173A44.7Very low50.9Low85 Ų85130.2 Ų130.270%0.70276%0.755SS**  74.314998.700000117.5
174H47.9Very low50.4Low182 Ų182127.4 Ų127.484%0.84376%0.755SS**  trans96.294177.4-54.5-69.8000115.3
175A46.3Very low49.7Very low78 Ų78129 Ų12965%0.64576%0.764SS**  82116.863.500000114.2
176H48.6Very low48.9Very low160 Ų160126.3 Ų126.374%0.74176%0.76SS**  164.8131.3112.9-91-77.6000113.2
177H48.5Very low48Very low137 Ų137121.8 Ų121.863%0.63476%0.763SS**  trans26.2148.1151.1-54-67.6000122.8
178H47.2Very low47.6Very low160 Ų160121.7 Ų121.774%0.74176%0.762SS**  cis-161.6134.645-93.8-83.3000110.9
179H43.8Very low46.9Very low151 Ų151129.3 Ų129.370%0.69978%0.782SS**  50.4137.6111.5-83.754.8000117.8
180Y47.4Very low46.2Very low199 Ų199125.5 Ų125.578%0.7878%0.783SS**  cis-177.4-178.2-15.2-121.8-44.1000106.8
181P57.2Low46.7Very low113 Ų113127.4 Ų127.473%0.73479%0.786SS**  -122176.2-123.444-28.9000115.9
182A47.4Very low46.5Very low98 Ų98128.7 Ų128.781%0.8178%0.784SS**  trans-161124.9153.300000114
183A47.2Very low47Very low110 Ų110130.9 Ų130.991%0.90979%0.788SS**  trans45.2131.1140.700000122.6
184G44.9Very low47Very low80 Ų80132.6 Ų132.683%0.82579%0.79SS**  trans166.8100.7157.300000113.1
185V47.5Very low46.7Very low151 Ų151130.2 Ų130.292%0.91579%0.788SS**  trans-93.1135.3-165.4-160.40000111.9
186G36.5Very low47.3Very low72 Ų72132.1 Ų132.174%0.74279%0.792SS**  trans86.3111.2134.900000120.1
187A42.3Very low46.9Very low103 Ų103130 Ų13085%0.85179%0.79SS**  trans-167.8146.4141.400000113.3
188A45.5Very low47.1Very low92 Ų92129 Ų12976%0.7679%0.794SS**  trans79.599159.600000118.1
189R42.7Very low46.6Very low235 Ų235128.3 Ų128.389%0.88780%0.795SS**  70.910480.9-7717997.3-171.17.4113.9
190T43.9Very low47.3Very low147 Ų147128.5 Ų128.590%0.90280%0.796SS**  trans-132.1114155.725.60000108.7
191T57.6Low47.1Very low129 Ų129125.4 Ų125.479%0.79179%0.788SS**  trans-88.1127.8171.740.80000109.8
192T43.6Very low46.5Very low132 Ų132127.6 Ų127.681%0.8179%0.793SS**  trans-79.3145.117040.20000110.4
193T55.6Low46.6Very low134 Ų134128.3 Ų128.382%0.82279%0.789SS**  trans-140.1117.1164.1-54.60000109.2
194T46.4Very low46.7Very low122 Ų122128.7 Ų128.775%0.74878%0.782SS**  trans-79.8132.4-177.1-52.20000110.4
195T41.6Very low46.7Very low131 Ų131130.1 Ų130.180%0.80478%0.78SS**  trans-94.5120.6172.4-44.10000109
196T57.7Low46.6Very low119 Ų119128.3 Ų128.373%0.7377%0.771SS**  trans-111.3120.7172.6-66.90000109.6
197T41Very low46.9Very low114 Ų114130.2 Ų130.270%0.69977%0.773SS**  trans-80.2133.6174.7-490000110.2
198V51.2Low47.1Very low117 Ų117130.6 Ų130.671%0.70977%0.767SS**  trans-134.7116.8160.5-179.90000109.4
199L37.8Very low46.8Very low146 Ų146133.9 Ų133.976%0.76477%0.771SS**  trans-74.2141.6168.4-93106.8000110.9
200H58.7Low46.8Very low154 Ų154133.8 Ų133.871%0.71377%0.772SS**  trans-146102.5149.8-84-69.8000111.9
201H43.9Very low46.4Very low135 Ų135134.3 Ų134.363%0.62577%0.769SS**  trans7.6127.1140.860.912.5000121.7
202L44.3Very low45.6Very low158 Ų158135.1 Ų135.183%0.82777%0.768SS**  104.5160106.3-82.7168000113.4
203P47.8Very low45.4Very low113 Ų113133.5 Ų133.573%0.73476%0.758SS**  cis-134.5-172.9-21.732.7-9.2000114.1
204P51Low44.4Very low118 Ų118138 Ų13877%0.76676%0.76SS**  trans-115.3171.3-15042.8-34.4000118.7
205S44.7Very low44Very low110 Ų110143.7 Ų143.777%0.76977%0.768SS**  trans79.7166.1148.2-144.20000119.3
206P45Very low44Very low114 Ų114148.5 Ų148.574%0.7477%0.771SS**  cis-129.4160.4-22.113.811.4000114.6
207S43.4Very low42.9Very low111 Ų111152 Ų15278%0.77678%0.779SS**  trans-77.8160.7154.8-420000109.9
208P46.7Very low43.1Very low111 Ų111152 Ų15272%0.72178%0.778SS**  -155.4160.37632.2-8.1000117.8
209L38.4Very low42.6Very low161 Ų161149.7 Ų149.784%0.84378%0.778SS**  trans51.5113.8140.3-57.9172.1000120.4
210Y43.4Very low42.8Very low233 Ų233152.3 Ų152.391%0.91478%0.779SS**  -147.5125.3126-128.2-92.7000111
211L34.7Very low42.2Very low159 Ų159152.2 Ų152.283%0.83278%0.784SS**  trans-79.6128.3174.4-171.381.9000107.6
212D40.2Very low42.2Very low145 Ų145150.4 Ų150.478%0.77579%0.793SS**  trans-155.1156.9141.3-149.214.6000113.9
213T40.9Very low42.3Very low98 Ų98154 Ų15460%0.60180%0.797SS**  trans-63.5154.2-148.836.50000121.3
214R34Very low42Very low230 Ų230152 Ų15287%0.86880%0.797SS**  trans63.7101137.6-75.7-176173.1-145.71.3117.7
215R37.3Very low41.8Very low240 Ų240151.7 Ų151.791%0.90680%0.804SS**  -166.7113.9121.6-116.9174.7172.2-162.9-1.2113.9
216R41.2Very low41.7Very low233 Ų233149.5 Ų149.588%0.87980%0.799SS**  trans40.7102.1142.6-62.6-162.1173.3-162.9-1.5118.7V218R216-V218 PolarHBondContact O-N 2.9Å
217H35.7Very low41.7Very low193 Ų193150.7 Ų150.789%0.89480%0.804SS**  trans-22.1112143.7-104.3-113.7000114.4
218V44.9Very low41.8Very low112 Ų112157.2 Ų157.268%0.67981%0.812SS**  trans-139.997.9142.1179.90000105.2R216 Y220R216-V218 PolarHBondContact O-N 2.9Å; V218-Y220 HydrophobicContact CG1-CD1 4.16Å; V218-Y220 HydrophobicContact CG1-CE1 4.08Å
219G40Very low41.9Very low69 Ų69159.7 Ų159.771%0.71181%0.814SS**  trans-80.2128.5174.900000109.8
220Y42Very low42.5Very low201 Ų201159.2 Ų159.279%0.78881%0.811SS**  trans-115.7113.1161.213.3-92.6000106.3V218 A222V218-Y220 HydrophobicContact CG1-CD1 4.16Å; V218-Y220 HydrophobicContact CG1-CE1 4.08Å; Y220-A222 PolarHBondContact O-N 3.49Å
221D46.9Very low43Very low152 Ų152154.7 Ų154.781%0.81380%0.802SS**  trans-57.8127.8-179.1-65.4-51.8000111.2
222A43.3Very low44.3Very low98 Ų98156 Ų15681%0.8180%0.801SS**  trans-76.5121.4171.200000109.1Y220 G224Y220-A222 PolarHBondContact O-N 3.49Å; A222-G224 PolarHBondContact O-N 3.43Å
223Y46.8Very low44.7Very low233 Ų233159.5 Ų159.591%0.91481%0.806SS**  trans-71.296.3169.7-70.5-84.9000109.6
224G41.6Very low45.5Very low71 Ų71165.7 Ų165.773%0.73282%0.818SS**  trans-72.2146.3163.600000111.4A222A222-G224 PolarHBondContact O-N 3.43Å
225A45.7Very low46.7Very low111 Ų111160.2 Ų160.292%0.91781%0.812SS**  trans-59.3144.1-179.800000113.2
226G43.7Very low47.2Very low65 Ų65157.2 Ų157.267%0.6781%0.808SS**  trans129.6119.515700000114.9
227T45.7Very low47.7Very low138 Ų138154.8 Ų154.885%0.84781%0.807SS**  trans81.7102.7158.4-240000116.5Q229T227-Q229 PolarHBondContact O-N 2.96Å; T227-Q229 VanDerWaalsContact O-N 3.08Å
228R43.7Very low48.2Very low248 Ų248153.3 Ų153.394%0.93680%0.8SS**  trans-51.9108.6159.3-83.2173.5140.6-150.6-2.7109.8
229Q50.5Low48.3Very low163 Ų163153.6 Ų153.676%0.76280%0.804SS**  trans-111.4120.3149.9-86.1-169.8-8.800108.4T227 L231T227-Q229 PolarHBondContact O-N 2.96Å; T227-Q229 VanDerWaalsContact O-N 3.08Å; Q229-L231 PolarHBondContact O-N 2.82Å
230L50.4Low48.6Very low151 Ų151155.5 Ų155.579%0.79181%0.806SS**  trans-69.5102.1166.8-82.4159.2000107.9F232L230-F232 HydrophobicContact CB-CE2 4.38Å
231L54.2Low49Very low139 Ų139152.3 Ų152.373%0.72881%0.808SS**  trans-93.8107.5165.8-77.3169.9000108.9Q229 Y233Q229-L231 PolarHBondContact O-N 2.82Å; L231-Y233 PolarHBondContact O-N 3.4Å
232F60.5Low49Very low185 Ų185150.9 Ų150.981%0.81181%0.805SS**  trans-74.7108.2165.7-71.4-87000108.6L230 R234L230-F232 HydrophobicContact CB-CE2 4.38Å; F232-R234 PolarHBondContact O-N 2.67Å
233Y48.6Very low49.8Very low220 Ų220152.5 Ų152.586%0.86381%0.805SS**  trans-79.8112.4168.9-114.6-91.3000109.4L231L231-Y233 PolarHBondContact O-N 3.4Å
234R59.3Low50.1Low228 Ų228149.5 Ų149.586%0.8680%0.801SS**  trans-81.1122.9166-177.8-179.6177.9127.2-1.4107.9F232 H236F232-R234 PolarHBondContact O-N 2.67Å; R234-H236 PolarHBondContact O-N 3.17Å
235P59.5Low50.9Low115 Ų115153.6 Ų153.675%0.74781%0.805SS**  trans-70.1119.3171.426.8-28.5000108.7Q237P235-Q237 PolarHBondContact O-N 2.98Å
236H47.5Very low51.7Low176 Ų176155.5 Ų155.582%0.81580%0.8SS**  trans-75.7107.4167.2-169.173.9000107.5R234 Q238R234-H236 PolarHBondContact O-N 3.17Å; H236-Q238 PolarHBondContact O-N 2.95Å
237Q51.5Low52.7Low182 Ų182157.1 Ų157.185%0.8580%0.801SS**  trans-75.199.7174.9-173172.7-2.300108.3P235P235-Q237 PolarHBondContact O-N 2.98Å
238Q46.3Very low53.6Low163 Ų163156.4 Ų156.476%0.76280%0.796SS**  trans-74.1127.5166.9-135.1-179.34.200107.9H236 S240H236-Q238 PolarHBondContact O-N 2.95Å; Q238-S240 PolarHBondContact O-N 2.91Å; Q238-S240 VanDerWaalsContact O-N 3.12Å
239P46.8Very low54.8Low118 Ų118150.1 Ų150.177%0.76679%0.788SS**  trans-76.799.9174.929.2-29.3000108.6T241P239-T241 PolarHBondContact O-N 2.76Å
240S45.4Very low55.6Low108 Ų108148.7 Ų148.776%0.75579%0.79SS**  trans-75.2113162.638.50000108.6Q238 T242Q238-S240 PolarHBondContact O-N 2.91Å; Q238-S240 VanDerWaalsContact O-N 3.12Å; S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 VanDerWaalsContact O-N 3.14Å
241T52.1Low56.1Low134 Ų134153.2 Ų153.282%0.82280%0.796SS**  trans-49.1110.7173.548.90000110.8P239 V243P239-T241 PolarHBondContact O-N 2.76Å; T241-V243 PolarHBondContact O-N 3.44Å
242T46.4Very low56.9Low123 Ų123153.7 Ų153.776%0.75580%0.799SS**  trans-80.6111.5166.6-66.20000108.2S240 M244S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 VanDerWaalsContact O-N 3.14Å; T242-M244 PolarHBondContact O-N 3.44Å
243V60.1Low57.3Low132 Ų132150.1 Ų150.180%0.879%0.794SS**  trans-69.6105.6161.8-92.30000107.7T241 L245T241-V243 PolarHBondContact O-N 3.44Å; V243-L245 PolarHBondContact O-N 3.48Å
244M52.2Low58.2Low169 Ų169145.4 Ų145.483%0.83379%0.791SS**  trans-72.7111168.1-80-93-62.900108.5T242 D246T242-M244 PolarHBondContact O-N 3.44Å; M244-D246 PolarHBondContact O-N 3.25Å
245L59.1Low58.4Low157 Ų157141.1 Ų141.182%0.82279%0.79SS**  trans-81.9107.6164.5-79.9158000108V243 S247V243-L245 PolarHBondContact O-N 3.48Å; L245-S247 PolarHBondContact O-N 3.43Å
246D61.9Low58.1Low151 Ų151141.7 Ų141.781%0.80779%0.794SS**  trans-66.2119.3172.5-163.112.6000109.1M244M244-D246 PolarHBondContact O-N 3.25Å
247S65.6Low58.5Low100 Ų100136.6 Ų136.670%0.69979%0.789SS**  trans-106.3105.9-179.6-54.60000108.2L245L245-S247 PolarHBondContact O-N 3.43Å
248V63.5Low58.5Low122 Ų122137.6 Ų137.674%0.73979%0.794SS**PPolyproline II helixtrans-65.6124.5176.5-179.70000109.6V250V248-V250 PolarHBondContact O-N 3.4Å
249P69.9Low58.9Low116 Ų116139.2 Ų139.275%0.75380%0.801SS**PPolyproline II helixtrans-71.6123.2176.826.3-30.9000110.9R251P249-R251 PolarHBondContact O-N 3.33Å
250V66Low58.9Low134 Ų134138.4 Ų138.481%0.81280%0.804SS**PPolyproline II helixtrans-72.9119.4167.1169.20000108.6V248V248-V250 PolarHBondContact O-N 3.4Å
251R61.5Low59.7Low245 Ų245141.4 Ų141.493%0.92581%0.806SS**  trans-85.7109.2178.3-140.4177.3-167.1169.93108.8P249P249-R251 PolarHBondContact O-N 3.33Å
252L71Confident60.7Low149 Ų149140.1 Ų140.178%0.7880%0.8SS**PPolyproline II helixtrans-83.1138.4165.5-73166.7000109.3
253P69.5Low61.8Low110 Ų110140 Ų14071%0.71480%0.802SS**PPolyproline II helixtrans-71.2140.4179.628-32.3000111.3
254P67.4Low62.4Low122 Ų122139 Ų13979%0.79280%0.797SS**PPolyproline II helixtrans-76.7134.3175.529.9-31.5000111.1
255T63.7Low63Low137 Ų137136.8 Ų136.884%0.8480%0.796SS**PPolyproline II helixtrans-63.4129.4168.4-34.90000109.6
256P53.3Low62.6Low127 Ų127134.3 Ų134.383%0.82580%0.798SS**PPolyproline II helixtrans-81139.417930.9-31.2000110.9
257G54.5Low62.2Low69 Ų69133.6 Ų133.671%0.71180%0.799SS**  trans12277165.800000113.8
258Q53.3Low61.4Low204 Ų204134.1 Ų134.195%0.95381%0.809SS**  trans-163.9137.2138.1-105.4163.760.400109.9
259H54.5Low61Low197 Ų197133.6 Ų133.691%0.91281%0.811SS**  trans-50.5134.4-171-117.5-113.9000113.1
260A45.9Very low60.3Low101 Ų101133.4 Ų133.484%0.83581%0.812SS**  trans-76.6123.9169.800000110.3
261E62Low59.4Low171 Ų171131.4 Ų131.480%0.79981%0.81SS**  trans-110.3129.9160.7-170.3-164.5137.500107.8
262P72.4Confident59.5Low106 Ų106124.9 Ų124.969%0.68880%0.801SS**PPolyproline II helixtrans-75.6138.3177.529.5-31.8000111.1
263P71.2Confident59.5Low122 Ų122127.4 Ų127.479%0.79281%0.806SS**PPolyproline II helixtrans-73.3143178.129.2-32.8000111.7
264P71.6Confident59.7Low109 Ų109128.8 Ų128.871%0.70880%0.797SS**PPolyproline II helixtrans-71157.3173.628.4-33.1000112.5
265P64.6Low60Low123 Ų123127.8 Ų127.880%0.79979%0.789SS**PPolyproline II helixtrans-65.7142.4-174.825.6-33.9000113.4V267P265-V267 PolarHBondContact O-N 3.35Å
266A51.1Low60.9Low105 Ų105129.2 Ų129.287%0.86878%0.779SS**PPolyproline II helixtrans-59119.2-176.400000113.2
267V54.1Low61.8Low137 Ų137128.2 Ų128.283%0.8377%0.766SS**PPolyproline II helixtrans-92.3122.7157-76.50000108.4P265 S269P265-V267 PolarHBondContact O-N 3.35Å; V267-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact O-N 3.08Å
268A48.8Very low63Low111 Ų111134.3 Ų134.392%0.91777%0.773SS**  trans-61.2108.5-179.800000110.3
269S55Low63.8Low111 Ų111127.8 Ų127.878%0.77676%0.76SS**  trans-102133.7167.6-172.10000109.4V267 A271V267-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact O-N 3.08Å; S269-A271 PolarHBondContact O-N 2.99Å
270S54.7Low64.5Low112 Ų112122.7 Ų122.778%0.78374%0.743SS**  trans-37.6117.4-179-176.90000113S272S270-S272 PolarHBondContact O-N 3.18Å; S270-S272 VanDerWaalsContact O-N 3.13Å
271A47.4Very low65.4Low91 Ų91120.7 Ų120.775%0.75272%0.718SS**  trans-72.8102.5-179.100000111.3S269 K273S269-A271 PolarHBondContact O-N 2.99Å; A271-K273 PolarHBondContact O-N 2.64Å
272S62.7Low65.9Low108 Ų108117.4 Ų117.476%0.75571%0.706SS**  trans-62.6120.1161.2-69.50000109.6S270 R274S270-S272 PolarHBondContact O-N 3.18Å; S270-S272 VanDerWaalsContact O-N 3.13Å; S272-R274 PolarHBondContact O-N 3.08Å; S272-R274 VanDerWaalsContact O-N 3.09Å
273K72.6Confident66Low203 Ų203117.6 Ų117.688%0.88370%0.701SS**  trans-66.4104.9177.2-69.5170.8-178.2165.60109.6A271A271-K273 PolarHBondContact O-N 2.64Å
274R72.5Confident65.3Low139 Ų139117.6 Ų117.653%0.52570%0.702SS.*  trans-81124.3172.7-62.1174.577.6-172.211.4109.2S272 N281 D283S272-R274 PolarHBondContact O-N 3.08Å; S272-R274 VanDerWaalsContact O-N 3.09Å; R274-N281 VanDerWaalsContact NH2-CG 3.29Å; R274-N281 PolarHBondContact NH2-ND2 2.92Å; R274-N281 VanDerWaalsContact NH2-ND2 3.17Å; R274-D283 IonicContact CZ-OD1 3.73Å; R274-D283 IonicContact NE-OD1 3.22Å; R274-D283 PolarHBondContact NE-OD1 3.38Å; R274-D283 IonicContact NH2-OD1 3.37Å; R274-D283 PolarHBondContact NH2-OD1 2.79Å; R274-D283 VanDerWaalsContact NH2-OD1 3.09Å; R274-D283 IonicContact NH2-OD2 3.09Å; R274-D283 PolarHBondContact NH2-OD2 3.5Å
275V74.2Confident64.3Low101 Ų101117.5 Ų117.561%0.61271%0.71SS**EExtended strand (participates in β ladder)trans-95.6125.3172.41740000108.2L282V275-L282 PolarHBondContact O-N 2.73Å
276R81.4Confident63.4Low167 Ų167116.3 Ų116.363%0.6371%0.711SS**EExtended strand (participates in β ladder)trans-107.5122170.2-75.8179.3153.5171-6.5108.3N281R276-N281 VanDerWaalsContact CG-OD1 3.27Å; R276-N281 WeakPolarHBondContact CG-OD1 3.48Å; R276-N281 PolarHBondContact NE-OD1 2.7Å; R276-N281 PolarHBondContact NH2-ND2 2.71Å; R276-N281 PolarHBondContact NH2-OD1 2.77Å
277L73.8Confident63Low106 Ų106116.3 Ų116.356%0.55571%0.711SS**EExtended strand (participates in β ladder)trans-119.7124.1166.9-160.975.2000106.9G279 V280L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 2.72Å; L277-V280 WeakPolarHBondContact O-CG2 3.45Å; L277-V280 PolarHBondContact O-N 2.77Å
278F78.4Confident62.5Low197 Ų197114.5 Ų114.586%0.86471%0.711SS**THydrogen-bonded Turntrans6126.1-178.2-49.8-71.8000116.9V280F278-V280 VanDerWaalsContact C-N 3.28Å; F278-V280 PolarHBondContact O-N 2.76Å
279G70.7Confident62.2Low66 Ų66112.8 Ų112.868%0.6870%0.704SS**THydrogen-bonded Turntrans81.70.4177.100000115.1L277L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 2.72Å
280V68.8Low61.6Low90 Ų90113 Ų11355%0.54571%0.705SS.*EExtended strand (participates in β ladder)trans-90.5128.2168.2-79.90000110.4L277 F278 L282L277-V280 WeakPolarHBondContact O-CG2 3.45Å; L277-V280 PolarHBondContact O-N 2.77Å; F278-V280 VanDerWaalsContact C-N 3.28Å; F278-V280 PolarHBondContact O-N 2.76Å; V280-L282 HydrophobicContact CG2-CD1 4.47Å
281N66.2Low61.3Low60 Ų60117 Ų11732%0.32171%0.711SS.*EExtended strand (participates in β ladder)trans-75.3119.9170.5-84.8-36.3000108.9R274 R276R274-N281 VanDerWaalsContact NH2-CG 3.29Å; R274-N281 PolarHBondContact NH2-ND2 2.92Å; R274-N281 VanDerWaalsContact NH2-ND2 3.17Å; R276-N281 VanDerWaalsContact CG-OD1 3.27Å; R276-N281 WeakPolarHBondContact CG-OD1 3.48Å; R276-N281 PolarHBondContact NE-OD1 2.7Å; R276-N281 PolarHBondContact NH2-ND2 2.71Å; R276-N281 PolarHBondContact NH2-OD1 2.77Å
282L72Confident61.2Low102 Ų102121.9 Ų121.953%0.53472%0.719SS.*EExtended strand (participates in β ladder)trans-96.9106.3163.5-78.189.3000108.1V275 V280V275-L282 PolarHBondContact O-N 2.73Å; V280-L282 HydrophobicContact CG2-CD1 4.47Å
283D74.2Confident60.2Low110 Ų110126.1 Ų126.159%0.58873%0.727SS**  trans-91109.3172.3-66.1-46.6000108.3R274R274-D283 IonicContact CZ-OD1 3.73Å; R274-D283 IonicContact NE-OD1 3.22Å; R274-D283 PolarHBondContact NE-OD1 3.38Å; R274-D283 IonicContact NH2-OD1 3.37Å; R274-D283 PolarHBondContact NH2-OD1 2.79Å; R274-D283 VanDerWaalsContact NH2-OD1 3.09Å; R274-D283 IonicContact NH2-OD2 3.09Å; R274-D283 PolarHBondContact NH2-OD2 3.5Å
284C55.7Low58.6Low122 Ų122123.8 Ų123.882%0.82472%0.724SS**  trans-84.2112.4175.9-65.40000109.7A286C284-A286 PolarHBondContact O-N 3.16Å
285A51.2Low57.4Low106 Ų106123.5 Ų123.588%0.87674%0.737SS**  trans-71108.9171.600000110.1A287A285-A287 PolarHBondContact O-N 3.26Å
286A46.4Very low55.8Low98 Ų98122.3 Ų122.381%0.8175%0.746SS**  trans-79.3108.1164.200000108.1C284 A288C284-A286 PolarHBondContact O-N 3.16Å; A286-A288 PolarHBondContact O-N 3.29Å; A286-A288 VanDerWaalsContact O-N 3.12Å
287A42.9Very low53.8Low106 Ų106117.7 Ų117.788%0.87675%0.75SS**  trans-7396.7168.100000108.6A285A285-A287 PolarHBondContact O-N 3.26Å
288A42.5Very low52.1Low99 Ų99123.6 Ų123.682%0.81877%0.765SS**  trans-94.999.4159.500000107A286A286-A288 PolarHBondContact O-N 3.29Å; A286-A288 VanDerWaalsContact O-N 3.12Å
289G42.7Very low50.4Low75 Ų75124.6 Ų124.677%0.77376%0.763SS**  trans-89.8106.4165.100000108.3
290S43.7Very low48.9Very low115 Ų115128 Ų12880%0.80477%0.771SS**  trans-75123.4165.345.90000109.2
291E47Very low47.7Very low195 Ų195129.6 Ų129.691%0.91179%0.786SS**  trans-109.6110.9166.2-56.9-17114800107.1
292E45.8Very low47Very low195 Ų195131 Ų13191%0.91181%0.806SS**  trans-76.1126173.8-82.3178.9110.500110.5
293E42.3Very low45.8Very low197 Ų197132 Ų13292%0.92182%0.818SS**  trans-66.5123.7157.3-83.7-176.686.900110.2
294N39Very low44.7Very low154 Ų154131.9 Ų131.982%0.82482%0.824SS**  trans-169.3157135.5-151.7-10.3000111.3
295V46.9Very low44.2Very low132 Ų132131.7 Ų131.780%0.882%0.819SS**  trans98.392.1169.7-164.50000114.3
296G41.5Very low44Very low77 Ų77134.8 Ų134.879%0.79482%0.815SS**  trans-73-179.2171.800000114.3
297G37.9Very low44Very low69 Ų69138.1 Ų138.171%0.71181%0.814SS**  trans13571.8167.100000114.9
298W39.4Very low44.2Very low231 Ų231137 Ų13788%0.87581%0.805SS**  trans39.7138.7137.5-55-19.2000123.2
299R41.7Very low44.4Very low217 Ų217137.6 Ų137.682%0.81980%0.803SS**  trans102.8100.6144.1-73.7163.5-160-72.80.5118.5
300T40Very low44.9Very low138 Ų138140.1 Ų140.185%0.84781%0.809SS**  trans-34.9132.8146.818.50000116.6
301S43.7Very low45.1Very low123 Ų123140.2 Ų140.286%0.8681%0.809SS**  -179.3143.8120.7530000111.6
302A51.4Low45.2Very low91 Ų91136.6 Ų136.675%0.75281%0.806SS**  trans-79.3-159.5-170.800000114.3
303P46.3Very low45.1Very low122 Ų122133.2 Ų133.279%0.79280%0.804SS**  -125.9-138.2-61.932.3-9.4000111.6
304P50.4Low45.4Very low108 Ų108134.8 Ų134.870%0.70180%0.803SS**  -122.9-172.8-111.738.3-17.2000116.6
305T45.4Very low46.2Very low117 Ų117132.2 Ų132.272%0.71880%0.797SS**  trans108.3143.2148.8-29.40000118.9
306Q47.8Very low46.3Very low171 Ų171131.5 Ų131.580%0.79980%0.798SS**  trans90.4144162.9-55.5-174.64300115.7
307Q46Very low46.6Very low168 Ų168131.7 Ų131.779%0.78580%0.8SS**  cis179.6172.5-12.1-171.2169.67.700105.6
308A46.7Very low47.2Very low84 Ų84138.9 Ų138.969%0.69481%0.811SS**  trans87101.4163.600000116.7
309S47.5Very low48.1Very low111 Ų111132.3 Ų132.378%0.77681%0.807SS**  83.5112.778.5710000114.7
310S52.8Low48.8Very low128 Ų128133.3 Ų133.390%0.89581%0.811SS**  trans-165.2134.9139.743.20000110.7
311S47.2Very low49.5Very low116 Ų116132.6 Ų132.681%0.81181%0.81SS**  trans-89.9147.8-17640.80000111.4
312S49.5Very low50.4Low119 Ų119131.9 Ų131.983%0.83281%0.805SS**  trans-161.4124.7145.4500000110.8
313S43Very low51.1Low125 Ų125135.2 Ų135.287%0.87481%0.809SS**  trans-96.2138.2176.1-47.30000108.6
314Y50.1Low51.4Low229 Ų229136.3 Ų136.390%0.89881%0.808SS**  trans-138.5145.9160.173.4-93.9000112.1
315S55.1Low52.1Low100 Ų100139 Ų13970%0.69982%0.816SS**  trans-103145.5-157.6-178.80000111.8
316S48.3Very low53Low118 Ų118140.5 Ų140.583%0.82582%0.82SS**  trans37.5116.6143.4-49.90000120.5
317G48.3Very low53.6Low81 Ų81144 Ų14484%0.83584%0.842SS**  trans-14796.9159.200000111.4
318K51.3Low54Low219 Ų219142.8 Ų142.895%0.95285%0.845SS**  trans-87.6115.9167.1-76.7172.2177.1165.50108
319A58.1Low54.3Low94 Ų94145.9 Ų145.978%0.77785%0.853SS**  trans-105.6114.5164.900000109.1
320R56.8Low54.7Low238 Ų238147.8 Ų147.890%0.89886%0.857SS**  trans-92.8123.1162.4-73.3175.289.3153.52.7106.7
321C53.6Low54.8Low123 Ų123149 Ų14983%0.83186%0.855SS**  trans-97.8109169.1-46.40000107.5
322S63.3Low55.3Low107 Ų107151.1 Ų151.175%0.74886%0.858SS**  trans-95.6128.3163.4-67.20000107.4
323L65Low55.7Low162 Ų162153.2 Ų153.285%0.84886%0.86SS**  trans-101.2110.2165.3-70.8172.3000107.3
324N52.9Low56.6Low145 Ų145155.2 Ų155.278%0.77586%0.859SS**  trans-86124158.4-79.6-41.1000106.9
325L66.2Low57.1Low163 Ų163149.5 Ų149.585%0.85386%0.856SS**  trans-109.8100.6156.7-105.179.5000106
326D63.1Low57.3Low150 Ų150153.7 Ų153.780%0.80287%0.869SS**  trans-81.9117.6153.5-101.7-77.2000106.6
327L60.3Low58.1Low244 Ų244156.9 Ų156.9100%1.27787%0.873SS**  trans-157.30150.8-134.585.3000108.8

Retrieved 327 of 327 residues in 134.4 ms (Link to these results)