A0A088AWN0_HUMAN Loading...

cDNA FLJ52754, highly similar to S-adenosylmethionine decarboxylase proenzyme

Essential for biosynthesis of the polyamines spermidine and spermine. Promotes maintenance and self-renewal of embryonic stem cells, by maintaining spermine levels.

AlphaFold DB , UniProt , Accession A0A088AWN0, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 305 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
1M40.2Very low77Confident242 Ų24280.3 Ų80.3100%1.19244%0.44SS*.  099.60-94.6-179.8-89.600106.2A3M1-A3 PolarHBondContact O-N 3.3Å
2E39Very low78.8Confident195 Ų19573.6 Ų73.691%0.91140%0.403SS*.PPolyproline II helixtrans-59130.8167-80.8171.6144.800107.6A4E2-A4 PolarHBondContact O-N 3.31Å; E2-A4 VanDerWaalsContact O-N 3.16Å
3A51.5Low80.3Confident98 Ų9868.7 Ų68.781%0.8138%0.376SS*.PPolyproline II helixtrans-58.8121.7171.700000107.2M1 H5M1-A3 PolarHBondContact O-N 3.3Å; A3-H5 PolarHBondContact O-N 3.07Å; A3-H5 VanDerWaalsContact O-N 3.15Å
4A58.4Low81.6Confident87 Ų8763.9 Ų63.972%0.71935%0.35SS*.PPolyproline II helixtrans-51.9124175.700000109.1E2 F6E2-A4 PolarHBondContact O-N 3.31Å; E2-A4 VanDerWaalsContact O-N 3.16Å; A4-F6 PolarHBondContact O-N 3.45Å
5H85.2Confident82.7Confident148 Ų14860.4 Ų60.469%0.68533%0.33SS*.PPolyproline II helixtrans-53.4123.8176.2-176.5-89.2000108.6A3 E218 F221A3-H5 PolarHBondContact O-N 3.07Å; A3-H5 VanDerWaalsContact O-N 3.15Å; H5-E218 IonicContact CE1-OE1 3.39Å; H5-E218 IonicContact ND1-OE1 3.14Å; H5-F221 WeakPolarHBondContact O-CE1 3.38Å
6F92.2Very high83.6Confident41 Ų4156.6 Ų56.618%0.1831%0.309CS..  trans-141131.7179.5170.1-93.1000109.4A4 E8 M89 K90 H93 F221A4-F6 PolarHBondContact O-N 3.45Å; F6-E8 HydrophobicContact CE1-CB 3.96Å; F6-E8 HydrophobicContact CZ-CB 4.21Å; F6-E8 WeakPolarHBondContact CZ-OE2 3.48Å; F6-M89 HydrophobicContact CE2-CB 4.2Å; F6-M89 HydrophobicContact CZ-CB 4Å; F6-K90 HydrophobicContact CD1-CB 4.49Å; F6-K90 HydrophobicContact CD1-CD 3.78Å; F6-K90 HydrophobicContact CD1-CG 4.4Å; F6-K90 HydrophobicContact CD2-CD 3.92Å; F6-K90 HydrophobicContact CD2-CG 4.45Å; F6-K90 HydrophobicContact CE1-CB 3.75Å; F6-K90 HydrophobicContact CE1-CD 3.78Å; F6-K90 HydrophobicContact CE1-CG 3.88Å; F6-K90 HydrophobicContact CE2-CD 3.93Å; F6-K90 HydrophobicContact CE2-CG 3.94Å; F6-K90 HydrophobicContact CG-CD 3.85Å; F6-K90 HydrophobicContact CZ-CB 3.82Å; F6-K90 HydrophobicContact CZ-CD 3.86Å; F6-K90 HydrophobicContact CZ-CG 3.63Å; F6-H93 AromaticContact CD1-CE1 3.92Å; F6-H93 AromaticContact CD1-ND1 3.56Å; F6-F221 HydrophobicContact CB-CE1 4.45Å; F6-F221 HydrophobicContact CD2-CB 3.98Å; F6-F221 AromaticContact CD2-CD1 3.66Å; F6-F221 HydrophobicContact CD2-CD1 3.66Å; F6-F221 HydrophobicContact CD2-CE1 4.33Å; F6-F221 AromaticContact CD2-CG 3.8Å; F6-F221 HydrophobicContact CD2-CG 3.8Å; F6-F221 HydrophobicContact CE2-CB 3.77Å; F6-F221 HydrophobicContact CE2-CD1 4.34Å; F6-F221 HydrophobicContact CE2-CG 4.05Å
7F94.3Very high84.2Confident58 Ų5854.9 Ų54.925%0.25430%0.297SS..  trans-120.5133.6172.6-174.9-96.4000109.8G9 C53 T216 F221F7-G9 PolarHBondContact O-N 3.25Å; F7-C53 HydrophobicContact CE1-CB 4.31Å; F7-C53 HydrophobicContact CZ-CB 4.37Å; F7-C53 WeakPolarHBondContact CZ-SG 3.49Å; F7-T216 HydrophobicContact CB-CG2 4.45Å; F7-T216 HydrophobicContact CD1-CG2 3.87Å; F7-F221 HydrophobicContact CB-CD2 4.4Å; F7-F221 HydrophobicContact CB-CE2 3.79Å; F7-F221 HydrophobicContact CB-CZ 4.47Å; F7-F221 VanDerWaalsContact O-CD2 3.27Å; F7-F221 WeakPolarHBondContact O-CD2 3.48Å
8E96.9Very high84.7Confident4 Ų452.6 Ų52.62%0.01928%0.284CS..  trans-85.694.3175.6-174.170.8-120.800109.2F6 T10 G54 F88 M89 K90F6-E8 HydrophobicContact CE1-CB 3.96Å; F6-E8 HydrophobicContact CZ-CB 4.21Å; F6-E8 WeakPolarHBondContact CZ-OE2 3.48Å; E8-T10 PolarHBondContact O-N 3.28Å; E8-T10 VanDerWaalsContact OE1-CB 3.25Å; E8-T10 WeakPolarHBondContact OE1-CB 3.42Å; E8-T10 PolarHBondContact OE1-OG1 2.74Å; E8-G54 WeakPolarHBondContact O-CA 3.29Å; E8-G54 PolarHBondContact O-N 2.9Å; E8-F88 HydrophobicContact CG-CD1 3.72Å; E8-F88 HydrophobicContact CG-CE1 4.38Å; E8-F88 HydrophobicContact CG-CG 4.45Å; E8-M89 PolarHBondContact OE1-N 2.61Å; E8-M89 PolarHBondContact OE2-N 3.08Å; E8-M89 VanDerWaalsContact OE2-N 3.16Å; E8-K90 PolarHBondContact OE2-N 2.87Å
9G94.9Very high84.9Confident3 Ų350.6 Ų50.63%0.03128%0.275CS..  trans-65.9-25.5175.900000113.6F7 E11 T216 Y223F7-G9 PolarHBondContact O-N 3.25Å; G9-E11 PolarHBondContact O-N 3.12Å; G9-T216 WeakPolarHBondContact CA-OG1 3.15Å; G9-Y223 VanDerWaalsContact O-CD1 3.27Å; G9-Y223 WeakPolarHBondContact O-CD1 3.4Å; G9-Y223 VanDerWaalsContact O-CE1 3.3Å; G9-Y223 WeakPolarHBondContact O-CE1 3.3Å
10T96.6Very high85Confident1 Ų154.2 Ų54.21%0.00628%0.284CS..PPolyproline II helixtrans-60.1121.9177.4-50.40000111.3E8 K86 F88E8-T10 PolarHBondContact O-N 3.28Å; E8-T10 VanDerWaalsContact OE1-CB 3.25Å; E8-T10 WeakPolarHBondContact OE1-CB 3.42Å; E8-T10 PolarHBondContact OE1-OG1 2.74Å; T10-K86 HydrophobicContact CG2-CB 3.82Å; T10-F88 HydrophobicContact CG2-CD1 4.01Å; T10-F88 HydrophobicContact CG2-CE1 4.35Å
11E97.5Very high84.2Confident6 Ų659 Ų593%0.02831%0.305CS..PPolyproline II helixtrans-88.2162.7-175-54.6126.5125.200113.7G9 K51 T52 C53 R85 H214 S225G9-E11 PolarHBondContact O-N 3.12Å; E11-K51 HydrophobicContact CB-CD 4.12Å; E11-K51 HydrophobicContact CB-CG 3.59Å; E11-K51 HydrophobicContact CG-CD 4.18Å; E11-K51 HydrophobicContact CG-CG 3.89Å; E11-K51 VanDerWaalsContact OE1-CD 3.27Å; E11-K51 WeakPolarHBondContact OE1-CD 3.4Å; E11-K51 WeakPolarHBondContact OE1-CE 3.35Å; E11-K51 IonicContact OE1-NZ 2.8Å; E11-K51 WeakPolarHBondContact OE2-CE 3.37Å; E11-K51 IonicContact OE2-NZ 3.7Å; E11-T52 WeakPolarHBondContact CA-O 3.34Å; E11-C53 HydrophobicContact CG-CB 3.88Å; E11-R85 WeakPolarHBondContact O-CB 3.06Å; E11-H214 IonicContact OE1-CD2 3.65Å; E11-H214 IonicContact OE1-CG 3.95Å; E11-S225 VanDerWaalsContact CD-CB 3.48Å; E11-S225 WeakPolarHBondContact OE1-CB 3.47Å; E11-S225 PolarHBondContact OE1-OG 2.87Å; E11-S225 WeakPolarHBondContact OE2-CB 3.45Å; E11-S225 PolarHBondContact OE2-OG 2.83Å
12K98.6Very high84.8Confident0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-103.3128.8161.7-54.3173.9-173.674.40107K51 T52 G54 T56 L58 Y83 F88K12-K51 WeakPolarHBondContact O-CA 3.39Å; K12-T52 PolarHBondContact N-O 3.3Å; K12-T52 PolarHBondContact O-N 2.97Å; K12-G54 PolarHBondContact NZ-O 3.42Å; K12-T56 VanDerWaalsContact CE-O 3.24Å; K12-T56 WeakPolarHBondContact CE-O 3.39Å; K12-T56 PolarHBondContact NZ-O 2.87Å; K12-L58 HydrophobicContact CB-CB 4.07Å; K12-L58 HydrophobicContact CB-CD1 3.89Å; K12-L58 HydrophobicContact CB-CG 4.49Å; K12-L58 HydrophobicContact CD-CB 4.01Å; K12-L58 WeakPolarHBondContact O-CD1 3.43Å; K12-Y83 HydrophobicContact CB-CE2 4.21Å; K12-F88 HydrophobicContact CD-CZ 4.42Å; K12-F88 HydrophobicContact CG-CE1 4.32Å; K12-F88 HydrophobicContact CG-CZ 3.97Å
13L98.6Very high85.3Confident10 Ų1052.1 Ų52.15%0.05228%0.281CS..EExtended strand (participates in β ladder)trans-116.5130.3-178.1178.362.1000110.1I49 K51 Y83 S84L13-I49 HydrophobicContact CD1-CG2 3.7Å; L13-K51 HydrophobicContact CB-CG 4.46Å; L13-K51 HydrophobicContact CD1-CB 3.9Å; L13-K51 HydrophobicContact CD1-CD 4.15Å; L13-K51 HydrophobicContact CD1-CG 4.07Å; L13-Y83 WeakPolarHBondContact O-CA 3.48Å; L13-Y83 WeakPolarHBondContact O-CD2 3.35Å; L13-S84 PolarHBondContact N-O 2.76Å; L13-S84 PolarHBondContact O-N 3.16Å
14L98.6Very high85.1Confident1 Ų153.4 Ų53.41%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-124.2122.3172.6171.568.1000109.3V16 I49 L50 L58 L62 L65 F81 F82L14-V16 HydrophobicContact CD1-CG2 3.75Å; L14-V16 HydrophobicContact CD2-CG2 4.44Å; L14-V16 HydrophobicContact CG-CG2 4.01Å; L14-I49 CarbonylContact O-C 3.44Å; L14-I49 VanDerWaalsContact O-CA 3.31Å; L14-I49 WeakPolarHBondContact O-CA 3.44Å; L14-L50 PolarHBondContact N-O 3.38Å; L14-L50 PolarHBondContact O-N 2.97Å; L14-L58 HydrophobicContact CB-CD1 4.29Å; L14-L58 HydrophobicContact CB-CD2 3.57Å; L14-L58 HydrophobicContact CD2-CD2 4.03Å; L14-L58 HydrophobicContact CG-CD2 4.36Å; L14-L62 HydrophobicContact CD1-CD1 4.41Å; L14-L62 HydrophobicContact CD2-CD1 4.17Å; L14-L65 HydrophobicContact CD2-CD2 4.06Å; L14-F81 HydrophobicContact CD1-CD2 4.23Å; L14-F81 HydrophobicContact CD1-CE2 3.41Å; L14-F81 VanDerWaalsContact CD1-CE2 3.41Å; L14-F81 HydrophobicContact CD1-CZ 3.6Å; L14-F82 WeakPolarHBondContact CA-O 3.22Å
15E97.9Very high84.4Confident12 Ų1254.1 Ų54.16%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-123126.2171.9-178.4170.115200110.1W17 R47 F48 I49 F82E15-W17 PolarHBondContact OE1-NE1 3.44Å; E15-R47 HydrophobicContact CG-CG 4.22Å; E15-R47 WeakPolarHBondContact OE1-CD 3.31Å; E15-F48 CarbonylContact C-O 3.53Å; E15-F48 WeakPolarHBondContact CA-O 3.46Å; E15-I49 HydrophobicContact CB-CG1 4.2Å; E15-I49 HydrophobicContact CG-CG1 3.82Å; E15-F82 HydrophobicContact CB-CB 4.4Å; E15-F82 HydrophobicContact CB-CD2 4.43Å; E15-F82 HydrophobicContact CG-CD2 4.48Å; E15-F82 PolarHBondContact N-O 3.19Å; E15-F82 PolarHBondContact O-N 2.86Å
16V96.7Very high82.3Confident0 Ų054.1 Ų54.10%029%0.285CS..EExtended strand (participates in β ladder)trans-129.8127.8179.4-168.80000109.9L14 F18 R47 F48 L65 I78 F81L14-V16 HydrophobicContact CD1-CG2 3.75Å; L14-V16 HydrophobicContact CD2-CG2 4.44Å; L14-V16 HydrophobicContact CG-CG2 4.01Å; V16-F18 HydrophobicContact CB-CE2 4.06Å; V16-F18 HydrophobicContact CB-CZ 4.06Å; V16-F18 HydrophobicContact CG1-CD1 4.18Å; V16-F18 HydrophobicContact CG1-CD2 4.32Å; V16-F18 HydrophobicContact CG1-CE1 3.77Å; V16-F18 HydrophobicContact CG1-CE2 3.92Å; V16-F18 HydrophobicContact CG1-CG 4.45Å; V16-F18 HydrophobicContact CG1-CZ 3.62Å; V16-R47 CarbonylContact O-C 3.57Å; V16-R47 WeakPolarHBondContact O-CA 3.4Å; V16-F48 PolarHBondContact N-O 2.85Å; V16-F48 PolarHBondContact O-N 2.9Å; V16-L65 HydrophobicContact CG2-CD2 4.36Å; V16-I78 HydrophobicContact CG1-CD1 4.44Å; V16-I78 HydrophobicContact CG1-CG1 4.29Å; V16-I78 HydrophobicContact CG1-CG2 4.21Å; V16-F81 HydrophobicContact CG1-CD2 4.47Å; V16-F81 HydrophobicContact CG2-CD2 3.79Å; V16-F81 HydrophobicContact CG2-CE2 4.05Å
17W93.9Very high80.1Confident27 Ų2760.9 Ų60.910%0.10232%0.317CS..EExtended strand (participates in β ladder)trans-102.7122.5168.3-68.577.9000109.4E15 R46 R47 Q79 S80E15-W17 PolarHBondContact OE1-NE1 3.44Å; W17-R46 CarbonylContact C-O 3.57Å; W17-R46 WeakPolarHBondContact CA-O 3.2Å; W17-R47 HydrophobicContact CD2-CB 4.03Å; W17-R47 HydrophobicContact CD2-CG 4.16Å; W17-R47 VanDerWaalsContact CE2-CD 3.49Å; W17-R47 HydrophobicContact CE3-CB 4.06Å; W17-R47 HydrophobicContact CH2-CB 4.43Å; W17-R47 HydrophobicContact CZ2-CB 4.41Å; W17-R47 VanDerWaalsContact CZ2-CD 3.46Å; W17-R47 HydrophobicContact CZ2-CG 4.27Å; W17-R47 HydrophobicContact CZ3-CB 4.25Å; W17-Q79 HydrophobicContact CB-CB 4.08Å; W17-Q79 PolarHBondContact O-N 3.41Å; W17-S80 PolarHBondContact N-O 3.27Å; W17-S80 PolarHBondContact O-N 3.4Å
18F93.8Very high77.5Confident13 Ų1360.3 Ų60.36%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-97.5153.5-178.5-65.8-77.1000112.6V16 R46 F48 L65 L66 A69 F75V16-F18 HydrophobicContact CB-CE2 4.06Å; V16-F18 HydrophobicContact CB-CZ 4.06Å; V16-F18 HydrophobicContact CG1-CD1 4.18Å; V16-F18 HydrophobicContact CG1-CD2 4.32Å; V16-F18 HydrophobicContact CG1-CE1 3.77Å; V16-F18 HydrophobicContact CG1-CE2 3.92Å; V16-F18 HydrophobicContact CG1-CG 4.45Å; V16-F18 HydrophobicContact CG1-CZ 3.62Å; F18-R46 PolarHBondContact N-O 3.08Å; F18-R46 PolarHBondContact O-NH1 3.2Å; F18-F48 HydrophobicContact CE2-CB 3.93Å; F18-L65 HydrophobicContact CZ-CD2 4.45Å; F18-L65 HydrophobicContact CZ-CG 4.24Å; F18-L66 HydrophobicContact CE1-CD2 3.77Å; F18-L66 HydrophobicContact CZ-CD2 4.25Å; F18-A69 HydrophobicContact CD1-CB 3.97Å; F18-A69 HydrophobicContact CD2-CB 4.49Å; F18-A69 HydrophobicContact CE1-CB 3.56Å; F18-A69 HydrophobicContact CE2-CB 4.14Å; F18-A69 HydrophobicContact CG-CB 4.42Å; F18-A69 HydrophobicContact CZ-CB 3.66Å; F18-F75 HydrophobicContact CB-CB 3.81Å; F18-F75 HydrophobicContact CB-CD1 3.94Å; F18-F75 HydrophobicContact CB-CD2 3.48Å; F18-F75 VanDerWaalsContact CB-CD2 3.48Å; F18-F75 HydrophobicContact CB-CE1 4.41Å; F18-F75 HydrophobicContact CB-CE2 3.99Å; F18-F75 HydrophobicContact CB-CG 3.47Å; F18-F75 VanDerWaalsContact CB-CG 3.47Å; F18-F75 HydrophobicContact CB-CZ 4.45Å; F18-F75 HydrophobicContact CD1-CB 4.03Å; F18-F75 HydrophobicContact CD1-CD2 4.48Å; F18-F75 HydrophobicContact CD2-CD2 4.29Å; F18-F75 HydrophobicContact CG-CB 4.15Å; F18-F75 AromaticContact CG-CD2 3.86Å; F18-F75 HydrophobicContact CG-CD2 3.86Å; F18-F75 HydrophobicContact CG-CG 4.13Å
19S88.6Confident74.8Confident16 Ų1666 Ų6611%0.11237%0.368CS..EExtended strand (participates in β ladder)trans-139.9168.8173.753.10000111.5D76 S77S19-D76 PolarHBondContact O-N 2.83Å; S19-S77 VanDerWaalsContact C-OG 3.23Å; S19-S77 PolarHBondContact N-O 3.05Å; S19-S77 PolarHBondContact O-N 3.46Å; S19-S77 PolarHBondContact O-OG 2.93Å; S19-S77 PolarHBondContact OG-O 3.27Å; S19-S77 PolarHBondContact OG-OG 2.86Å
20R86Confident72.5Confident122 Ų12267.9 Ų67.946%0.4639%0.387SS..  trans-114.2141.8166.9-61.4-169.8-176.2166.2-1.9108.4Q22 D24 S73 G74 F75 D76R20-Q22 PolarHBondContact O-N 3.25Å; R20-D24 IonicContact NH1-OD2 3.58Å; R20-S73 PolarHBondContact NE-O 2.99Å; R20-S73 PolarHBondContact NH2-O 2.72Å; R20-G74 WeakPolarHBondContact CG-O 3.26Å; R20-F75 HydrophobicContact CG-CD1 3.81Å; R20-F75 HydrophobicContact CG-CE1 4.18Å; R20-D76 WeakPolarHBondContact CA-OD1 3.49Å
21Q67.9Low70.2Confident156 Ų15674.2 Ų74.273%0.72942%0.421SS*.SBendtrans-66.9-20.7176.6-71.2-173.4-3.900113.8D76Q21-D76 PolarHBondContact N-OD1 2.83Å; Q21-D76 VanDerWaalsContact N-OD1 3.07Å
22Q54Low68.1Low165 Ų16575.6 Ų75.677%0.77143%0.428SS*.SBendtrans-115.2127170.6-76.3-174.7-14.300111.5R20 D24R20-Q22 PolarHBondContact O-N 3.25Å; Q22-D24 PolarHBondContact O-N 2.87Å
23P49.8Very low66.5Low126 Ų12684.8 Ų84.882%0.81846%0.463SS*.  trans-82.3115.8178.630.1-29.8000111.1
24D47.1Very low64.2Low126 Ų12686 Ų8667%0.67447%0.471SS*.  trans-78.4138.2160.3-77.8-39000110.1R20 Q22 N26R20-D24 IonicContact NH1-OD2 3.58Å; Q22-D24 PolarHBondContact O-N 2.87Å; D24-N26 PolarHBondContact O-N 2.64Å
25A42.3Very low62.2Low102 Ų10290.6 Ų90.684%0.84350%0.495SS*.SBendtrans-67.54-173.300000116.1
26N41.9Very low59.9Low147 Ų14792.8 Ų92.879%0.78651%0.51SS*.  trans-104.886-176.4-84.9-13.2000112.8D24 G28D24-N26 PolarHBondContact O-N 2.64Å; N26-G28 PolarHBondContact O-N 2.96Å; N26-G28 VanDerWaalsContact O-N 3.16Å
27Q46.8Very low58.1Low183 Ų18395.8 Ų95.886%0.85553%0.531SS*.  trans-8277.3170.3-66.4-176.514.200111.4
28G38.8Very low56.4Low47 Ų4799.7 Ų99.749%0.48555%0.55SS.*  trans-79.6148.3162.500000112.4N26 K45N26-G28 PolarHBondContact O-N 2.96Å; N26-G28 VanDerWaalsContact O-N 3.16Å; G28-K45 VanDerWaalsContact O-CD 3.28Å; G28-K45 WeakPolarHBondContact O-CD 3.42Å; G28-K45 WeakPolarHBondContact O-CE 3.41Å; G28-K45 PolarHBondContact O-NZ 3.49Å
29S41.5Very low55.5Low124 Ų12499.9 Ų99.987%0.86755%0.553SS**  trans-69.1131.4167.955.60000109.8
30G45Very low55.5Low41 Ų4199.2 Ų99.242%0.42355%0.549SS..  trans-108140.9173.500000110.8
31D48Very low56Low134 Ų13495.7 Ų95.772%0.71754%0.538SS*.  trans-75142.2-177.5-66.3-29.8000112.1
32L54.8Low57.2Low35 Ų3588.3 Ų88.318%0.18350%0.503CS..  trans-77127169.6-163.570.5000108.8F42 V43 M204 Y210L32-F42 HydrophobicContact CD1-CB 4.02Å; L32-F42 HydrophobicContact CD2-CD1 3.76Å; L32-F42 HydrophobicContact CD2-CE1 4.48Å; L32-F42 HydrophobicContact CG-CB 4.38Å; L32-F42 HydrophobicContact CG-CD1 4.17Å; L32-V43 CarbonylContact C-O 3.6Å; L32-V43 WeakPolarHBondContact CA-O 3.37Å; L32-M204 HydrophobicContact CB-SD 4.02Å; L32-M204 HydrophobicContact CD2-CG 4.21Å; L32-M204 HydrophobicContact CD2-SD 3.8Å; L32-M204 HydrophobicContact CG-SD 4.02Å; L32-Y210 HydrophobicContact CD2-CG 4.42Å
33R63.8Low59.2Low193 Ų19383.1 Ų83.173%0.72848%0.483SS*.EExtended strand (participates in β ladder)trans-112.2141.2173.7-63.3-175.3-177.7-177.20.6110.6V43R33-V43 PolarHBondContact N-O 3.39Å; R33-V43 PolarHBondContact O-N 3.32Å
34T50.8Low61.2Low37 Ų3778.8 Ų78.823%0.22746%0.456CS..EExtended strand (participates in β ladder)trans-111.4139.7179.847.80000111.1F42 N202 M204T34-F42 HydrophobicContact CG2-CD1 3.6Å; T34-F42 HydrophobicContact CG2-CE1 3.49Å; T34-F42 VanDerWaalsContact CG2-CE1 3.49Å; T34-F42 HydrophobicContact CG2-CZ 4.46Å; T34-N202 HydrophobicContact CG2-CB 4Å; T34-M204 HydrophobicContact CG2-CE 3.56Å; T34-M204 HydrophobicContact CG2-CG 4.2Å; T34-M204 HydrophobicContact CG2-SD 3.57Å; T34-M204 VanDerWaalsContact CG2-SD 3.57Å
35I56.3Low63.3Low96 Ų9677.3 Ų77.349%0.49244%0.443SS..EExtended strand (participates in β ladder)trans-120.8116.1165.7-53.5-166.4000107.8M41I35-M41 HydrophobicContact CB-CE 4.22Å; I35-M41 HydrophobicContact CD1-CE 3.3Å; I35-M41 HydrophobicContact CG1-CE 3.74Å; I35-M41 PolarHBondContact N-O 2.67Å
36P49.8Very low65.8Low59 Ų5976.1 Ų76.138%0.38342%0.417SS..EExtended strand (participates in β ladder)trans-82.2133.8176.633.1-34.6000111.4D190P36-D190 WeakPolarHBondContact CG-OD2 3.47Å
37S59.6Low68.3Low63 Ų6369.8 Ų69.844%0.44138%0.382SS..SBendtrans-153.1-162.6162.8640000108.3S39S37-S39 CarbonylContact C-O 3.48Å; S37-S39 PolarHBondContact N-O 2.88Å; S37-S39 PolarHBondContact O-N 3.1Å; S37-S39 WeakPolarHBondContact OG-CB 3.23Å; S37-S39 PolarHBondContact OG-N 3.2Å; S37-S39 PolarHBondContact OG-O 3.3Å
38E58.8Low70.7Confident109 Ų10962.1 Ų62.151%0.50935%0.346SS..SBendtrans-61.716.7163.5-62.7176.8-177.300112.7C53 F194E38-C53 PolarHBondContact O-SG 3.49Å; E38-F194 HydrophobicContact CB-CE1 4.38Å; E38-F194 HydrophobicContact CB-CZ 4.43Å; E38-F194 HydrophobicContact CG-CD1 3.86Å; E38-F194 HydrophobicContact CG-CE1 3.47Å; E38-F194 VanDerWaalsContact CG-CE1 3.47Å; E38-F194 HydrophobicContact CG-CZ 3.95Å
39S73.1Confident73.5Confident16 Ų1660 Ų6011%0.11232%0.323CS..EExtended strand (participates in β ladder)trans-155.4154.1-172-65.90000107.2S37 K51 T52S37-S39 CarbonylContact C-O 3.48Å; S37-S39 PolarHBondContact N-O 2.88Å; S37-S39 PolarHBondContact O-N 3.1Å; S37-S39 WeakPolarHBondContact OG-CB 3.23Å; S37-S39 PolarHBondContact OG-N 3.2Å; S37-S39 PolarHBondContact OG-O 3.3Å; S39-K51 CarbonylContact C-O 3.58Å; S39-K51 VanDerWaalsContact CA-O 3.24Å; S39-K51 WeakPolarHBondContact CA-O 3.38Å; S39-K51 WeakPolarHBondContact CB-O 3.34Å; S39-T52 WeakPolarHBondContact OG-CA 3.45Å; S39-T52 WeakPolarHBondContact OG-CB 3.3Å
40S90.1Very high76.2Confident3 Ų355.3 Ų55.32%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-112.9134.9175.5-73.80000110.4K51 N202 T212 H214S40-K51 PolarHBondContact N-O 3.26Å; S40-K51 PolarHBondContact O-N 2.89Å; S40-N202 WeakPolarHBondContact CB-OD1 3.36Å; S40-N202 PolarHBondContact OG-ND2 3.21Å; S40-N202 PolarHBondContact OG-OD1 3Å; S40-T212 PolarHBondContact OG-OG1 2.86Å; S40-H214 PolarHBondContact OG-CE1 3.11Å; S40-H214 PolarHBondContact OG-NE2 2.67Å
41M95.3Very high78.7Confident47 Ų4753.5 Ų53.523%0.23227%0.269CS..EExtended strand (participates in β ladder)trans-127.1124.5172.2-169.2177.772.200109.8I35 V43 F48 I49 L50I35-M41 HydrophobicContact CB-CE 4.22Å; I35-M41 HydrophobicContact CD1-CE 3.3Å; I35-M41 HydrophobicContact CG1-CE 3.74Å; I35-M41 PolarHBondContact N-O 2.67Å; M41-V43 HydrophobicContact CE-CG2 4.07Å; M41-V43 HydrophobicContact CG-CG2 4.22Å; M41-V43 HydrophobicContact SD-CG2 4.48Å; M41-F48 HydrophobicContact CG-CE2 3.83Å; M41-F48 HydrophobicContact CG-CZ 3.93Å; M41-F48 HydrophobicContact SD-CE2 3.58Å; M41-F48 VanDerWaalsContact SD-CE2 3.58Å; M41-F48 HydrophobicContact SD-CZ 3.7Å; M41-I49 CarbonylContact C-O 3.51Å; M41-I49 VanDerWaalsContact CA-O 3.31Å; M41-I49 WeakPolarHBondContact CA-O 3.43Å; M41-L50 HydrophobicContact CB-CD1 4.06Å; M41-L50 HydrophobicContact CG-CD1 4.18Å; M41-L50 HydrophobicContact SD-CD1 4.47Å
42F94.8Very high81Confident1 Ų147.5 Ų47.50%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-116.7125.2175.6-62.1-91.4000109.7L32 T34 I49 N202 M204 Y210 T212L32-F42 HydrophobicContact CD1-CB 4.02Å; L32-F42 HydrophobicContact CD2-CD1 3.76Å; L32-F42 HydrophobicContact CD2-CE1 4.48Å; L32-F42 HydrophobicContact CG-CB 4.38Å; L32-F42 HydrophobicContact CG-CD1 4.17Å; T34-F42 HydrophobicContact CG2-CD1 3.6Å; T34-F42 HydrophobicContact CG2-CE1 3.49Å; T34-F42 VanDerWaalsContact CG2-CE1 3.49Å; T34-F42 HydrophobicContact CG2-CZ 4.46Å; F42-I49 HydrophobicContact CB-CB 4.23Å; F42-I49 HydrophobicContact CD2-CB 4.45Å; F42-I49 HydrophobicContact CD2-CG2 4.47Å; F42-I49 PolarHBondContact N-O 3.4Å; F42-I49 PolarHBondContact O-N 2.91Å; F42-N202 HydrophobicContact CE1-CB 4.17Å; F42-N202 HydrophobicContact CZ-CB 3.99Å; F42-N202 WeakPolarHBondContact CZ-OD1 3.47Å; F42-M204 HydrophobicContact CE1-CG 4.48Å; F42-Y210 HydrophobicContact CD1-CD2 4.32Å; F42-Y210 HydrophobicContact CD1-CG 4.26Å; F42-Y210 HydrophobicContact CD2-CD2 4.12Å; F42-Y210 HydrophobicContact CD2-CE2 4.43Å; F42-Y210 AromaticContact CE1-CD2 3.98Å; F42-Y210 HydrophobicContact CE1-CD2 3.98Å; F42-Y210 HydrophobicContact CE1-CG 4.14Å; F42-Y210 AromaticContact CE2-CD2 3.78Å; F42-Y210 HydrophobicContact CE2-CD2 3.78Å; F42-Y210 HydrophobicContact CE2-CE2 4.23Å; F42-Y210 HydrophobicContact CG-CD2 4.37Å; F42-Y210 AromaticContact CZ-CD2 3.7Å; F42-Y210 HydrophobicContact CZ-CD2 3.7Å; F42-Y210 HydrophobicContact CZ-CG 4.32Å; F42-T212 HydrophobicContact CE2-CG2 4.08Å; F42-T212 HydrophobicContact CZ-CG2 4.49Å
43V95.1Very high82.9Confident56 Ų5646.3 Ų46.334%0.33923%0.231SC..EExtended strand (participates in β ladder)trans-121.3114.5179.7-172.80000109L32 R33 M41 F48L32-V43 CarbonylContact C-O 3.6Å; L32-V43 WeakPolarHBondContact CA-O 3.37Å; R33-V43 PolarHBondContact N-O 3.39Å; R33-V43 PolarHBondContact O-N 3.32Å; M41-V43 HydrophobicContact CE-CG2 4.07Å; M41-V43 HydrophobicContact CG-CG2 4.22Å; M41-V43 HydrophobicContact SD-CG2 4.48Å; V43-F48 HydrophobicContact CG2-CD2 3.98Å; V43-F48 HydrophobicContact CG2-CE2 4.1Å
44S92.4Very high84.4Confident35 Ų3537.4 Ų37.425%0.24520%0.2CC..  trans-108.8-176.2172.592.20000110.5R46 R47S44-R46 PolarHBondContact O-N 3.14Å; S44-R46 VanDerWaalsContact O-N 3.15Å; S44-R46 PolarHBondContact OG-N 2.87Å; S44-R47 PolarHBondContact N-O 3.28Å; S44-R47 WeakPolarHBondContact OG-CB 3.34Å; S44-R47 PolarHBondContact OG-N 3Å; S44-R47 PolarHBondContact OG-O 2.88Å
45K91.2Very high86.6Confident96 Ų9640 Ų4042%0.41722%0.216SC..SBendtrans-50.5-41.2177.9-166.8176.7-177.6-178.50113.5G28 F75G28-K45 VanDerWaalsContact O-CD 3.28Å; G28-K45 WeakPolarHBondContact O-CD 3.42Å; G28-K45 WeakPolarHBondContact O-CE 3.41Å; G28-K45 PolarHBondContact O-NZ 3.49Å; K45-F75 VanDerWaalsContact O-CZ 3.28Å; K45-F75 WeakPolarHBondContact O-CZ 3.42Å
46R93.2Very high88.6Confident76 Ų7638.6 Ų38.629%0.28721%0.212SC..SBendtrans-137.7-7.2-174.9-61.1-164.1-62.2136.9-3.6114.1W17 F18 S44 F75W17-R46 CarbonylContact C-O 3.57Å; W17-R46 WeakPolarHBondContact CA-O 3.2Å; F18-R46 PolarHBondContact N-O 3.08Å; F18-R46 PolarHBondContact O-NH1 3.2Å; S44-R46 PolarHBondContact O-N 3.14Å; S44-R46 VanDerWaalsContact O-N 3.15Å; S44-R46 PolarHBondContact OG-N 2.87Å; R46-F75 HydrophobicContact CG-CE1 4.17Å; R46-F75 HydrophobicContact CG-CZ 3.84Å
47R94.8Very high90.9Very high15 Ų1538.5 Ų38.56%0.05721%0.208CC..EExtended strand (participates in β ladder)trans-108.4131.6178.3-176175.565.6-166.41.5109.8E15 V16 W17 S44 I49 D145 Y210 N229E15-R47 HydrophobicContact CG-CG 4.22Å; E15-R47 WeakPolarHBondContact OE1-CD 3.31Å; V16-R47 CarbonylContact O-C 3.57Å; V16-R47 WeakPolarHBondContact O-CA 3.4Å; W17-R47 HydrophobicContact CD2-CB 4.03Å; W17-R47 HydrophobicContact CD2-CG 4.16Å; W17-R47 VanDerWaalsContact CE2-CD 3.49Å; W17-R47 HydrophobicContact CE3-CB 4.06Å; W17-R47 HydrophobicContact CH2-CB 4.43Å; W17-R47 HydrophobicContact CZ2-CB 4.41Å; W17-R47 VanDerWaalsContact CZ2-CD 3.46Å; W17-R47 HydrophobicContact CZ2-CG 4.27Å; W17-R47 HydrophobicContact CZ3-CB 4.25Å; S44-R47 PolarHBondContact N-O 3.28Å; S44-R47 WeakPolarHBondContact OG-CB 3.34Å; S44-R47 PolarHBondContact OG-N 3Å; S44-R47 PolarHBondContact OG-O 2.88Å; R47-I49 HydrophobicContact CG-CD1 4.35Å; R47-I49 HydrophobicContact CG-CG1 4.11Å; R47-D145 IonicContact NH1-OD1 3.5Å; R47-D145 PolarHBondContact NH1-OD1 3.06Å; R47-Y210 VanDerWaalsContact NH2-CD1 3.34Å; R47-Y210 VanDerWaalsContact NH2-CE1 3.27Å; R47-N229 PolarHBondContact NH2-ND2 2.99Å; R47-N229 VanDerWaalsContact NH2-ND2 3.11Å
48F97.4Very high92.7Very high22 Ų2235.6 Ų35.610%0.09619%0.187CC..EExtended strand (participates in β ladder)trans-117.8128170.7179.5-90000108.8E15 V16 F18 M41 V43 L50 L65E15-F48 CarbonylContact C-O 3.53Å; E15-F48 WeakPolarHBondContact CA-O 3.46Å; V16-F48 PolarHBondContact N-O 2.85Å; V16-F48 PolarHBondContact O-N 2.9Å; F18-F48 HydrophobicContact CE2-CB 3.93Å; M41-F48 HydrophobicContact CG-CE2 3.83Å; M41-F48 HydrophobicContact CG-CZ 3.93Å; M41-F48 HydrophobicContact SD-CE2 3.58Å; M41-F48 VanDerWaalsContact SD-CE2 3.58Å; M41-F48 HydrophobicContact SD-CZ 3.7Å; V43-F48 HydrophobicContact CG2-CD2 3.98Å; V43-F48 HydrophobicContact CG2-CE2 4.1Å; F48-L50 HydrophobicContact CD1-CB 4.36Å; F48-L50 HydrophobicContact CE1-CB 3.41Å; F48-L50 VanDerWaalsContact CE1-CB 3.41Å; F48-L50 HydrophobicContact CE1-CD2 4.31Å; F48-L50 HydrophobicContact CE1-CG 4.46Å; F48-L50 HydrophobicContact CZ-CB 3.81Å; F48-L50 HydrophobicContact CZ-CD2 4.34Å; F48-L65 HydrophobicContact CD1-CD1 3.98Å; F48-L65 HydrophobicContact CD1-CD2 3.4Å; F48-L65 VanDerWaalsContact CD1-CD2 3.4Å; F48-L65 HydrophobicContact CD1-CG 4.34Å; F48-L65 HydrophobicContact CD2-CD1 3.75Å; F48-L65 HydrophobicContact CE1-CD1 3.95Å; F48-L65 HydrophobicContact CE1-CD2 3.47Å; F48-L65 VanDerWaalsContact CE1-CD2 3.47Å; F48-L65 HydrophobicContact CE1-CG 4.32Å; F48-L65 HydrophobicContact CE2-CD1 3.75Å; F48-L65 HydrophobicContact CG-CD1 3.87Å; F48-L65 HydrophobicContact CG-CD2 4.04Å; F48-L65 HydrophobicContact CZ-CD1 3.85Å; F48-L65 HydrophobicContact CZ-CD2 4.19Å
49I98.2Very high94.6Very high1 Ų130.4 Ų30.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-123.3129.5172.3-60.4163.4000107.8L13 L14 E15 M41 F42 R47 Y210L13-I49 HydrophobicContact CD1-CG2 3.7Å; L14-I49 CarbonylContact O-C 3.44Å; L14-I49 VanDerWaalsContact O-CA 3.31Å; L14-I49 WeakPolarHBondContact O-CA 3.44Å; E15-I49 HydrophobicContact CB-CG1 4.2Å; E15-I49 HydrophobicContact CG-CG1 3.82Å; M41-I49 CarbonylContact C-O 3.51Å; M41-I49 VanDerWaalsContact CA-O 3.31Å; M41-I49 WeakPolarHBondContact CA-O 3.43Å; F42-I49 HydrophobicContact CB-CB 4.23Å; F42-I49 HydrophobicContact CD2-CB 4.45Å; F42-I49 HydrophobicContact CD2-CG2 4.47Å; F42-I49 PolarHBondContact N-O 3.4Å; F42-I49 PolarHBondContact O-N 2.91Å; R47-I49 HydrophobicContact CG-CD1 4.35Å; R47-I49 HydrophobicContact CG-CG1 4.11Å; I49-Y210 HydrophobicContact CD1-CD1 4.44Å; I49-Y210 HydrophobicContact CD1-CE1 3.58Å; I49-Y210 HydrophobicContact CD1-CE2 4.22Å; I49-Y210 VanDerWaalsContact CD1-CZ 3.48Å; I49-Y210 WeakPolarHBondContact CD1-OH 3.48Å
50L98Very high95.8Very high26 Ų2634.9 Ų34.914%0.13618%0.181CC..EExtended strand (participates in β ladder)trans-131.9123.7171.8176.364.1000109.2L14 M41 F48 T52 L58L14-L50 PolarHBondContact N-O 3.38Å; L14-L50 PolarHBondContact O-N 2.97Å; M41-L50 HydrophobicContact CB-CD1 4.06Å; M41-L50 HydrophobicContact CG-CD1 4.18Å; M41-L50 HydrophobicContact SD-CD1 4.47Å; F48-L50 HydrophobicContact CD1-CB 4.36Å; F48-L50 HydrophobicContact CE1-CB 3.41Å; F48-L50 VanDerWaalsContact CE1-CB 3.41Å; F48-L50 HydrophobicContact CE1-CD2 4.31Å; F48-L50 HydrophobicContact CE1-CG 4.46Å; F48-L50 HydrophobicContact CZ-CB 3.81Å; F48-L50 HydrophobicContact CZ-CD2 4.34Å; L50-T52 HydrophobicContact CD1-CG2 3.92Å; L50-T52 HydrophobicContact CD2-CG2 4.48Å; L50-T52 HydrophobicContact CG-CG2 4.02Å; L50-L58 HydrophobicContact CD2-CD1 4.47Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; L50-L58 HydrophobicContact CG-CD1 4.22Å
51K97.2Very high96.2Very high3 Ų336.9 Ų36.91%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-124.4120.8178.2-164.9171.9-152.7171.70109.6E11 K12 L13 S39 S40 E149 E227E11-K51 HydrophobicContact CB-CD 4.12Å; E11-K51 HydrophobicContact CB-CG 3.59Å; E11-K51 HydrophobicContact CG-CD 4.18Å; E11-K51 HydrophobicContact CG-CG 3.89Å; E11-K51 VanDerWaalsContact OE1-CD 3.27Å; E11-K51 WeakPolarHBondContact OE1-CD 3.4Å; E11-K51 WeakPolarHBondContact OE1-CE 3.35Å; E11-K51 IonicContact OE1-NZ 2.8Å; E11-K51 WeakPolarHBondContact OE2-CE 3.37Å; E11-K51 IonicContact OE2-NZ 3.7Å; K12-K51 WeakPolarHBondContact O-CA 3.39Å; L13-K51 HydrophobicContact CB-CG 4.46Å; L13-K51 HydrophobicContact CD1-CB 3.9Å; L13-K51 HydrophobicContact CD1-CD 4.15Å; L13-K51 HydrophobicContact CD1-CG 4.07Å; S39-K51 CarbonylContact C-O 3.58Å; S39-K51 VanDerWaalsContact CA-O 3.24Å; S39-K51 WeakPolarHBondContact CA-O 3.38Å; S39-K51 WeakPolarHBondContact CB-O 3.34Å; S40-K51 PolarHBondContact N-O 3.26Å; S40-K51 PolarHBondContact O-N 2.89Å; K51-E149 IonicContact NZ-OE1 2.69Å; K51-E149 PolarHBondContact NZ-OE1 3.4Å; K51-E227 WeakPolarHBondContact CD-OE2 3.47Å; K51-E227 WeakPolarHBondContact CE-OE2 3.28Å; K51-E227 IonicContact NZ-OE2 3.17Å; K51-E227 PolarHBondContact NZ-OE2 3.09Å
52T96.4Very high96.4Very high9 Ų934.6 Ų34.66%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-132.4142.1-177.668.90000111.7E11 K12 S39 L50 T56 L58E11-T52 WeakPolarHBondContact CA-O 3.34Å; K12-T52 PolarHBondContact N-O 3.3Å; K12-T52 PolarHBondContact O-N 2.97Å; S39-T52 WeakPolarHBondContact OG-CA 3.45Å; S39-T52 WeakPolarHBondContact OG-CB 3.3Å; L50-T52 HydrophobicContact CD1-CG2 3.92Å; L50-T52 HydrophobicContact CD2-CG2 4.48Å; L50-T52 HydrophobicContact CG-CG2 4.02Å; T52-T56 HydrophobicContact CG2-CG2 4.02Å; T52-L58 HydrophobicContact CG2-CD1 4.16Å
53C94.4Very high96.6Very high9 Ų938.5 Ų38.56%0.06121%0.21CC..  trans-110.7-168.1177.560.20000112.3F7 E11 E38 T56F7-C53 HydrophobicContact CE1-CB 4.31Å; F7-C53 HydrophobicContact CZ-CB 4.37Å; F7-C53 WeakPolarHBondContact CZ-SG 3.49Å; E11-C53 HydrophobicContact CG-CB 3.88Å; E38-C53 PolarHBondContact O-SG 3.49Å; C53-T56 WeakPolarHBondContact O-CB 3.49Å; C53-T56 PolarHBondContact O-N 2.81Å; C53-T56 PolarHBondContact O-OG1 2.73Å
54G95.8Very high96.7Very high6 Ų639.3 Ų39.36%0.06222%0.216CC..THydrogen-bonded Turntrans64.4-139.2-178.400000112.7E8 K12 Q94E8-G54 WeakPolarHBondContact O-CA 3.29Å; E8-G54 PolarHBondContact O-N 2.9Å; K12-G54 PolarHBondContact NZ-O 3.42Å; G54-Q94 PolarHBondContact O-NE2 2.78Å; G54-Q94 PolarHBondContact O-OE1 2.65Å
55T97.2Very high97Very high93 Ų9338.7 Ų38.757%0.57121%0.21SC*.THydrogen-bonded Turntrans-96.912.5179.3560000113.2L57T55-L57 PolarHBondContact O-N 3.13Å
56T97.3Very high97.3Very high65 Ų6536 Ų3640%0.39920%0.199SC..  trans-57.1132.6179.7-54.80000111.2K12 T52 C53 L58K12-T56 VanDerWaalsContact CE-O 3.24Å; K12-T56 WeakPolarHBondContact CE-O 3.39Å; K12-T56 PolarHBondContact NZ-O 2.87Å; T52-T56 HydrophobicContact CG2-CG2 4.02Å; C53-T56 WeakPolarHBondContact O-CB 3.49Å; C53-T56 PolarHBondContact O-N 2.81Å; C53-T56 PolarHBondContact O-OG1 2.73Å; T56-L58 VanDerWaalsContact C-N 3.34Å; T56-L58 PolarHBondContact O-N 3.01Å
57L98.3Very high97.6Very high57 Ų5738.3 Ų38.330%0.29821%0.212SC..  trans-92.162.4-177.1-54.8-179.3000111.4T55 L59 K60T55-L57 PolarHBondContact O-N 3.13Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 3.06Å; L57-L59 VanDerWaalsContact O-N 3.12Å; L57-K60 HydrophobicContact CB-CD 4.02Å; L57-K60 HydrophobicContact CB-CG 4.13Å; L57-K60 HydrophobicContact CD1-CD 3.86Å; L57-K60 WeakPolarHBondContact O-CB 3.38Å; L57-K60 PolarHBondContact O-N 2.97Å
58L98.6Very high97.7Very high3 Ų342 Ų422%0.01623%0.232CC..G310 helixtrans-46.8-46.1-171.4-175.8150.2000113.4K12 L14 L50 T52 T56 K60 A61 Y83 H98K12-L58 HydrophobicContact CB-CB 4.07Å; K12-L58 HydrophobicContact CB-CD1 3.89Å; K12-L58 HydrophobicContact CB-CG 4.49Å; K12-L58 HydrophobicContact CD-CB 4.01Å; K12-L58 WeakPolarHBondContact O-CD1 3.43Å; L14-L58 HydrophobicContact CB-CD1 4.29Å; L14-L58 HydrophobicContact CB-CD2 3.57Å; L14-L58 HydrophobicContact CD2-CD2 4.03Å; L14-L58 HydrophobicContact CG-CD2 4.36Å; L50-L58 HydrophobicContact CD2-CD1 4.47Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; L50-L58 HydrophobicContact CG-CD1 4.22Å; T52-L58 HydrophobicContact CG2-CD1 4.16Å; T56-L58 VanDerWaalsContact C-N 3.34Å; T56-L58 PolarHBondContact O-N 3.01Å; L58-K60 PolarHBondContact O-N 2.91Å; L58-K60 VanDerWaalsContact O-N 3.13Å; L58-A61 WeakPolarHBondContact O-CB 3.42Å; L58-A61 PolarHBondContact O-N 3.4Å; L58-Y83 HydrophobicContact CD2-CD2 4.28Å; L58-Y83 HydrophobicContact CD2-CE2 4.14Å; L58-H98 PolarHBondContact N-NE2 3.2Å
59L98.8Very high97.7Very high0 Ų041.4 Ų41.40%023%0.231CC..G310 helixtrans-65.1-21-174-79.3175000113.2L57 A61 L62 Y83 P97 H98 E104 F107 L108L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 3.06Å; L57-L59 VanDerWaalsContact O-N 3.12Å; L59-A61 PolarHBondContact O-N 3.36Å; L59-L62 HydrophobicContact CD2-CD2 4.44Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.36Å; L59-L62 PolarHBondContact O-N 3.1Å; L59-Y83 HydrophobicContact CD1-CD1 4.43Å; L59-Y83 HydrophobicContact CD1-CE1 4.04Å; L59-Y83 HydrophobicContact CD1-CE2 4.3Å; L59-Y83 HydrophobicContact CD2-CD2 3.86Å; L59-Y83 HydrophobicContact CD2-CE2 4.1Å; L59-Y83 HydrophobicContact CD2-CG 4.1Å; L59-Y83 HydrophobicContact CG-CD2 4.26Å; L59-Y83 HydrophobicContact CG-CE2 3.98Å; L59-P97 HydrophobicContact CB-CG 3.89Å; L59-P97 HydrophobicContact CD1-CG 4.35Å; L59-H98 VanDerWaalsContact CG-CE1 3.49Å; L59-H98 WeakPolarHBondContact CG-CE1 3.3Å; L59-H98 PolarHBondContact N-NE2 3.44Å; L59-E104 HydrophobicContact CD1-CB 4.02Å; L59-E104 HydrophobicContact CD1-CG 4.12Å; L59-F107 HydrophobicContact CB-CD1 3.9Å; L59-F107 HydrophobicContact CB-CE1 3.76Å; L59-F107 HydrophobicContact CD1-CD1 4.19Å; L59-F107 WeakPolarHBondContact O-CE1 3.42Å; L59-L108 HydrophobicContact CD1-CD1 4.25Å; L59-L108 HydrophobicContact CD1-CG 4.24Å; L59-L108 HydrophobicContact CD2-CD1 4.14Å; L59-L108 HydrophobicContact CD2-CD2 3.65Å; L59-L108 HydrophobicContact CD2-CG 4.02Å
60K98.6Very high97.6Very high110 Ų11048.9 Ų48.948%0.47826%0.259SS..G310 helixtrans-67.9-20.7173.3-66.4-168.4173.1-1730113.1L57 L58 L62 P64L57-K60 HydrophobicContact CB-CD 4.02Å; L57-K60 HydrophobicContact CB-CG 4.13Å; L57-K60 HydrophobicContact CD1-CD 3.86Å; L57-K60 WeakPolarHBondContact O-CB 3.38Å; L57-K60 PolarHBondContact O-N 2.97Å; L58-K60 PolarHBondContact O-N 2.91Å; L58-K60 VanDerWaalsContact O-N 3.13Å; K60-L62 VanDerWaalsContact C-N 3.32Å; K60-P64 WeakPolarHBondContact O-CD 3.36Å
61A98.4Very high97.5Very high44 Ų4451.9 Ų51.936%0.36428%0.276SS..G310 helixtrans-81.2-11.4175.800000113.2L58 L59 P64 L65L58-A61 WeakPolarHBondContact O-CB 3.42Å; L58-A61 PolarHBondContact O-N 3.4Å; L59-A61 PolarHBondContact O-N 3.36Å; A61-P64 WeakPolarHBondContact O-CD 3.32Å; A61-L65 VanDerWaalsContact O-CB 3.31Å; A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 2.96Å
62L98.5Very high97.5Very high0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-64.2-52.9-173.4177.956.7000112.9L14 L59 K60 L65 L66 F81 L108 I111 F112L14-L62 HydrophobicContact CD1-CD1 4.41Å; L14-L62 HydrophobicContact CD2-CD1 4.17Å; L59-L62 HydrophobicContact CD2-CD2 4.44Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.36Å; L59-L62 PolarHBondContact O-N 3.1Å; K60-L62 VanDerWaalsContact C-N 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.43Å; L62-L65 PolarHBondContact O-N 3.48Å; L62-L65 VanDerWaalsContact O-N 3.14Å; L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD1-CD2 4.32Å; L62-L66 HydrophobicContact CD1-CG 4.17Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 2.83Å; L62-F81 HydrophobicContact CD1-CE2 3.75Å; L62-F81 HydrophobicContact CD2-CE2 3.88Å; L62-F81 HydrophobicContact CD2-CZ 3.92Å; L62-F81 HydrophobicContact CG-CE2 4.49Å; L62-L108 HydrophobicContact CD2-CD2 3.62Å; L62-I111 HydrophobicContact CD2-CD1 3.91Å; L62-F112 HydrophobicContact CD2-CE2 3.84Å; L62-F112 HydrophobicContact CD2-CZ 4.18Å
63V98.1Very high97.3Very high83 Ų8362.9 Ų62.950%0.50333%0.325SS..Hα-helixtrans-62.4-44.6180176.70000112L65 L66 K67 I111V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.28Å; V63-L66 PolarHBondContact O-N 3.05Å; V63-K67 PolarHBondContact O-N 2.71Å; V63-I111 HydrophobicContact CG2-CD1 3.95Å; V63-I111 HydrophobicContact CG2-CG1 4.31Å
64P98.6Very high97.4Very high72 Ų7264.3 Ų64.347%0.46834%0.341SS..Hα-helixtrans-54.8-43.5169.5-28.135.1000113.9K60 A61 K67 L68K60-P64 WeakPolarHBondContact O-CD 3.36Å; A61-P64 WeakPolarHBondContact O-CD 3.32Å; P64-K67 WeakPolarHBondContact O-CB 3.38Å; P64-K67 PolarHBondContact O-N 3.3Å; P64-L68 WeakPolarHBondContact O-CG 3.45Å; P64-L68 PolarHBondContact O-N 3.18Å
65L98.4Very high97.3Very high22 Ų2265.2 Ų65.212%0.11534%0.344CS..Hα-helixtrans-59.5-48.2176.6169.768.1000111.7L14 V16 F18 F48 A61 L62 V63 K67 L68 A69L14-L65 HydrophobicContact CD2-CD2 4.06Å; V16-L65 HydrophobicContact CG2-CD2 4.36Å; F18-L65 HydrophobicContact CZ-CD2 4.45Å; F18-L65 HydrophobicContact CZ-CG 4.24Å; F48-L65 HydrophobicContact CD1-CD1 3.98Å; F48-L65 HydrophobicContact CD1-CD2 3.4Å; F48-L65 VanDerWaalsContact CD1-CD2 3.4Å; F48-L65 HydrophobicContact CD1-CG 4.34Å; F48-L65 HydrophobicContact CD2-CD1 3.75Å; F48-L65 HydrophobicContact CE1-CD1 3.95Å; F48-L65 HydrophobicContact CE1-CD2 3.47Å; F48-L65 VanDerWaalsContact CE1-CD2 3.47Å; F48-L65 HydrophobicContact CE1-CG 4.32Å; F48-L65 HydrophobicContact CE2-CD1 3.75Å; F48-L65 HydrophobicContact CG-CD1 3.87Å; F48-L65 HydrophobicContact CG-CD2 4.04Å; F48-L65 HydrophobicContact CZ-CD1 3.85Å; F48-L65 HydrophobicContact CZ-CD2 4.19Å; A61-L65 VanDerWaalsContact O-CB 3.31Å; A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 2.96Å; L62-L65 WeakPolarHBondContact O-CB 3.43Å; L62-L65 PolarHBondContact O-N 3.48Å; L62-L65 VanDerWaalsContact O-N 3.14Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.28Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-L68 PolarHBondContact O-N 3.28Å; L65-A69 WeakPolarHBondContact O-CB 3.39Å; L65-A69 PolarHBondContact O-N 3.04Å
66L97.7Very high97.1Very high39 Ų3964.7 Ų64.720%0.20434%0.337CS..Hα-helixtrans-60.3-38178.5-62.8-179.1000111.5F18 L62 V63 R70 I78 I111 F112F18-L66 HydrophobicContact CE1-CD2 3.77Å; F18-L66 HydrophobicContact CZ-CD2 4.25Å; L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD1-CD2 4.32Å; L62-L66 HydrophobicContact CD1-CG 4.17Å; L62-L66 HydrophobicContact CG-CD1 4.48Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 2.83Å; V63-L66 PolarHBondContact O-N 3.05Å; L66-R70 PolarHBondContact O-N 3.25Å; L66-R70 VanDerWaalsContact O-N 3.09Å; L66-I78 HydrophobicContact CD2-CD1 3.9Å; L66-I78 HydrophobicContact CD2-CG1 4.39Å; L66-I111 HydrophobicContact CD1-CG2 4.47Å; L66-F112 HydrophobicContact CD1-CE1 4.28Å; L66-F112 HydrophobicContact CD1-CZ 4.16Å
67K98.1Very high96.9Very high125 Ų12562.4 Ų62.454%0.54332%0.324SS..Hα-helixtrans-64.6-45.9174.7179.9170.1172.951.10111.8V63 P64 L65 R70 D71V63-K67 PolarHBondContact O-N 2.71Å; P64-K67 WeakPolarHBondContact O-CB 3.38Å; P64-K67 PolarHBondContact O-N 3.3Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.02Å; K67-R70 PolarHBondContact O-N 2.88Å; K67-D71 WeakPolarHBondContact CE-OD2 3.28Å; K67-D71 VanDerWaalsContact CG-OD2 3.32Å; K67-D71 WeakPolarHBondContact CG-OD2 3.38Å; K67-D71 IonicContact NZ-OD1 3.77Å; K67-D71 IonicContact NZ-OD2 2.89Å; K67-D71 PolarHBondContact NZ-OD2 2.93Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.71Å
68L98.1Very high96.7Very high94 Ų9460.8 Ų60.849%0.49232%0.316SS..Hα-helixtrans-62.2-43.7177.1-69.4173.8000111.9P64 L65 R70 D71 Y72P64-L68 WeakPolarHBondContact O-CG 3.45Å; P64-L68 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.28Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.41Å; L68-D71 PolarHBondContact O-N 2.8Å; L68-Y72 HydrophobicContact CD2-CD2 3.91Å; L68-Y72 HydrophobicContact CD2-CE2 3.64Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 2.93Å
69A97.1Very high96.3Very high9 Ų962 Ų627%0.07432%0.321CS..Hα-helixtrans-60.7-38.4177.700000112.1F18 L65 S73 G74 F75F18-A69 HydrophobicContact CD1-CB 3.97Å; F18-A69 HydrophobicContact CD2-CB 4.49Å; F18-A69 HydrophobicContact CE1-CB 3.56Å; F18-A69 HydrophobicContact CE2-CB 4.14Å; F18-A69 HydrophobicContact CG-CB 4.42Å; F18-A69 HydrophobicContact CZ-CB 3.66Å; L65-A69 WeakPolarHBondContact O-CB 3.39Å; L65-A69 PolarHBondContact O-N 3.04Å; A69-S73 CarbonylContact O-C 3.57Å; A69-S73 WeakPolarHBondContact O-CA 3.23Å; A69-S73 VanDerWaalsContact O-CB 3.25Å; A69-S73 WeakPolarHBondContact O-CB 3.44Å; A69-S73 PolarHBondContact O-N 2.79Å; A69-S73 VanDerWaalsContact O-N 3.17Å; A69-G74 PolarHBondContact O-N 3.11Å; A69-F75 HydrophobicContact CB-CB 4.3Å; A69-F75 HydrophobicContact CB-CD2 4.35Å; A69-F75 PolarHBondContact O-N 3.46Å
70R95.9Very high96Very high157 Ų15762.5 Ų62.559%0.59232%0.324SS*.Hα-helixtrans-68.3-56.5173.4-176.8-172.7-62.7178.5-0.5112L66 K67 L68 Y72 G74 F75L66-R70 PolarHBondContact O-N 3.25Å; L66-R70 VanDerWaalsContact O-N 3.09Å; K67-R70 PolarHBondContact O-N 2.88Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.41Å; R70-Y72 PolarHBondContact O-N 3.14Å; R70-G74 WeakPolarHBondContact O-CA 3.47Å; R70-G74 PolarHBondContact O-N 2.79Å; R70-F75 VanDerWaalsContact CA-O 3.25Å; R70-F75 WeakPolarHBondContact CA-O 3.4Å; R70-F75 WeakPolarHBondContact CB-O 3.27Å
71D96.6Very high95.9Very high90 Ų9057.2 Ų57.248%0.48130%0.302SS..Hα-helixtrans-68.1-36.9-167.9-66.7-7.3000111.9K67 L68K67-D71 WeakPolarHBondContact CE-OD2 3.28Å; K67-D71 VanDerWaalsContact CG-OD2 3.32Å; K67-D71 WeakPolarHBondContact CG-OD2 3.38Å; K67-D71 IonicContact NZ-OD1 3.77Å; K67-D71 IonicContact NZ-OD2 2.89Å; K67-D71 PolarHBondContact NZ-OD2 2.93Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.71Å; L68-D71 PolarHBondContact O-N 2.8Å
72Y95.9Very high95.9Very high191 Ų19156.1 Ų56.175%0.74929%0.289SS*.Hα-helixtrans-101.8-29.5-175.6-68.9-88.3000114.2L68 R70L68-Y72 HydrophobicContact CD2-CD2 3.91Å; L68-Y72 HydrophobicContact CD2-CE2 3.64Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 2.93Å; R70-Y72 PolarHBondContact O-N 3.14Å
73S94Very high95.9Very high51 Ų5156.1 Ų56.136%0.35729%0.289SS..Hα-helixtrans-113.3-4.2-175.6-53.40000113.4R20 A69 F75R20-S73 PolarHBondContact NE-O 2.99Å; R20-S73 PolarHBondContact NH2-O 2.72Å; A69-S73 CarbonylContact O-C 3.57Å; A69-S73 WeakPolarHBondContact O-CA 3.23Å; A69-S73 VanDerWaalsContact O-CB 3.25Å; A69-S73 WeakPolarHBondContact O-CB 3.44Å; A69-S73 PolarHBondContact O-N 2.79Å; A69-S73 VanDerWaalsContact O-N 3.17Å; S73-F75 VanDerWaalsContact CB-CD2 3.42Å; S73-F75 VanDerWaalsContact CB-CE2 3.45Å; S73-F75 PolarHBondContact O-N 2.9Å
74G94.6Very high96Very high39 Ų3952.4 Ų52.440%0.40227%0.266SS..  trans66.319.1-178.300000113.5R20 A69 R70 D76R20-G74 WeakPolarHBondContact CG-O 3.26Å; A69-G74 PolarHBondContact O-N 3.11Å; R70-G74 WeakPolarHBondContact O-CA 3.47Å; R70-G74 PolarHBondContact O-N 2.79Å; G74-D76 PolarHBondContact O-N 2.98Å
75F94.9Very high96Very high26 Ų2649.4 Ų49.411%0.11425%0.246CC..  trans-80.5114.2177.7-64.1-46.7000110.4F18 R20 K45 R46 A69 R70 S73F18-F75 HydrophobicContact CB-CB 3.81Å; F18-F75 HydrophobicContact CB-CD1 3.94Å; F18-F75 HydrophobicContact CB-CD2 3.48Å; F18-F75 VanDerWaalsContact CB-CD2 3.48Å; F18-F75 HydrophobicContact CB-CE1 4.41Å; F18-F75 HydrophobicContact CB-CE2 3.99Å; F18-F75 HydrophobicContact CB-CG 3.47Å; F18-F75 VanDerWaalsContact CB-CG 3.47Å; F18-F75 HydrophobicContact CB-CZ 4.45Å; F18-F75 HydrophobicContact CD1-CB 4.03Å; F18-F75 HydrophobicContact CD1-CD2 4.48Å; F18-F75 HydrophobicContact CD2-CD2 4.29Å; F18-F75 HydrophobicContact CG-CB 4.15Å; F18-F75 AromaticContact CG-CD2 3.86Å; F18-F75 HydrophobicContact CG-CD2 3.86Å; F18-F75 HydrophobicContact CG-CG 4.13Å; R20-F75 HydrophobicContact CG-CD1 3.81Å; R20-F75 HydrophobicContact CG-CE1 4.18Å; K45-F75 VanDerWaalsContact O-CZ 3.28Å; K45-F75 WeakPolarHBondContact O-CZ 3.42Å; R46-F75 HydrophobicContact CG-CE1 4.17Å; R46-F75 HydrophobicContact CG-CZ 3.84Å; A69-F75 HydrophobicContact CB-CB 4.3Å; A69-F75 HydrophobicContact CB-CD2 4.35Å; A69-F75 PolarHBondContact O-N 3.46Å; R70-F75 VanDerWaalsContact CA-O 3.25Å; R70-F75 WeakPolarHBondContact CA-O 3.4Å; R70-F75 WeakPolarHBondContact CB-O 3.27Å; S73-F75 VanDerWaalsContact CB-CD2 3.42Å; S73-F75 VanDerWaalsContact CB-CE2 3.45Å; S73-F75 PolarHBondContact O-N 2.9Å
76D93.3Very high96Very high81 Ų8148.8 Ų48.843%0.43324%0.242SC..  trans-106.8-4.6-177.560.91.1000112.9S19 R20 Q21 G74S19-D76 PolarHBondContact O-N 2.83Å; R20-D76 WeakPolarHBondContact CA-OD1 3.49Å; Q21-D76 PolarHBondContact N-OD1 2.83Å; Q21-D76 VanDerWaalsContact N-OD1 3.07Å; G74-D76 PolarHBondContact O-N 2.98Å
77S92.7Very high96Very high17 Ų1748.6 Ų48.612%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-143151.1-174.550.70000111.8S19S19-S77 VanDerWaalsContact C-OG 3.23Å; S19-S77 PolarHBondContact N-O 3.05Å; S19-S77 PolarHBondContact O-N 3.46Å; S19-S77 PolarHBondContact O-OG 2.93Å; S19-S77 PolarHBondContact OG-O 3.27Å; S19-S77 PolarHBondContact OG-OG 2.86Å
78I93.4Very high96.1Very high24 Ų2443 Ų4312%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-98.8131.1172.6-63.9176.1000107.6V16 L66 S80 F81 F112 L133 F135 R139V16-I78 HydrophobicContact CG1-CD1 4.44Å; V16-I78 HydrophobicContact CG1-CG1 4.29Å; V16-I78 HydrophobicContact CG1-CG2 4.21Å; L66-I78 HydrophobicContact CD2-CD1 3.9Å; L66-I78 HydrophobicContact CD2-CG1 4.39Å; I78-S80 WeakPolarHBondContact CG2-O 3.31Å; I78-F81 HydrophobicContact CG2-CB 3.97Å; I78-F112 HydrophobicContact CD1-CE1 3.52Å; I78-F112 HydrophobicContact CD1-CZ 3.71Å; I78-L133 HydrophobicContact CD1-CD1 4.45Å; I78-L133 HydrophobicContact CG2-CD1 4.31Å; I78-F135 HydrophobicContact CB-CZ 4.47Å; I78-F135 HydrophobicContact CG2-CZ 4.22Å; I78-R139 PolarHBondContact O-NH1 2.84Å
79Q91.1Very high96Very high28 Ų2841.9 Ų41.913%0.13121%0.21CC..EExtended strand (participates in β ladder)trans-85.3-46.2171.7-178.5-178.6-21.300110.7W17 F135W17-Q79 HydrophobicContact CB-CB 4.08Å; W17-Q79 PolarHBondContact O-N 3.41Å; Q79-F135 WeakPolarHBondContact O-CE2 3.3Å
80S92.6Very high96.1Very high10 Ų1045.1 Ų45.17%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-150.7147.3178.9-49.90000109.6W17 I78W17-S80 PolarHBondContact N-O 3.27Å; W17-S80 PolarHBondContact O-N 3.4Å; I78-S80 WeakPolarHBondContact CG2-O 3.31Å
81F96.6Very high96.1Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-142.3133.5-178.2176.2-83.6000109.5L14 V16 L62 I78 L108 F112 Y131 T132 L133L14-F81 HydrophobicContact CD1-CD2 4.23Å; L14-F81 HydrophobicContact CD1-CE2 3.41Å; L14-F81 VanDerWaalsContact CD1-CE2 3.41Å; L14-F81 HydrophobicContact CD1-CZ 3.6Å; V16-F81 HydrophobicContact CG1-CD2 4.47Å; V16-F81 HydrophobicContact CG2-CD2 3.79Å; V16-F81 HydrophobicContact CG2-CE2 4.05Å; L62-F81 HydrophobicContact CD1-CE2 3.75Å; L62-F81 HydrophobicContact CD2-CE2 3.88Å; L62-F81 HydrophobicContact CD2-CZ 3.92Å; L62-F81 HydrophobicContact CG-CE2 4.49Å; I78-F81 HydrophobicContact CG2-CB 3.97Å; F81-L108 HydrophobicContact CE1-CD2 4.12Å; F81-L108 HydrophobicContact CZ-CD2 3.76Å; F81-F112 HydrophobicContact CD2-CE2 4.08Å; F81-F112 HydrophobicContact CD2-CZ 4.15Å; F81-F112 HydrophobicContact CE1-CE2 4.24Å; F81-F112 AromaticContact CE2-CE2 3.76Å; F81-F112 HydrophobicContact CE2-CE2 3.76Å; F81-F112 HydrophobicContact CE2-CZ 4.06Å; F81-F112 HydrophobicContact CG-CE2 4.46Å; F81-F112 AromaticContact CZ-CE2 3.86Å; F81-F112 HydrophobicContact CZ-CE2 3.86Å; F81-Y131 HydrophobicContact CD1-CD1 4.23Å; F81-Y131 AromaticContact CE1-CD1 3.86Å; F81-Y131 HydrophobicContact CE1-CD1 3.86Å; F81-Y131 HydrophobicContact CE1-CE1 4.31Å; F81-T132 VanDerWaalsContact O-CA 3.32Å; F81-T132 WeakPolarHBondContact O-CA 3.39Å; F81-T132 WeakPolarHBondContact O-CB 3.44Å; F81-T132 PolarHBondContact O-OG1 3.45Å; F81-L133 HydrophobicContact CB-CB 4.44Å; F81-L133 HydrophobicContact CB-CD1 3.66Å; F81-L133 HydrophobicContact CB-CG 3.78Å; F81-L133 HydrophobicContact CD1-CG 4.13Å; F81-L133 HydrophobicContact CG-CD1 4.11Å; F81-L133 HydrophobicContact CG-CG 4.15Å
82F98.3Very high96.2Very high20 Ų2041.5 Ų41.59%0.08823%0.227CC..EExtended strand (participates in β ladder)trans-138.1121.9176.6-51.9-82.1000108.5L14 E15 L130 T132 F256 Y289L14-F82 WeakPolarHBondContact CA-O 3.22Å; E15-F82 HydrophobicContact CB-CB 4.4Å; E15-F82 HydrophobicContact CB-CD2 4.43Å; E15-F82 HydrophobicContact CG-CD2 4.48Å; E15-F82 PolarHBondContact N-O 3.19Å; E15-F82 PolarHBondContact O-N 2.86Å; F82-L130 HydrophobicContact CB-CD1 4.34Å; F82-L130 HydrophobicContact CD1-CD1 4.21Å; F82-T132 WeakPolarHBondContact CD1-OG1 3.17Å; F82-T132 WeakPolarHBondContact CE1-OG1 3.1Å; F82-F256 HydrophobicContact CD1-CE1 4.24Å; F82-F256 HydrophobicContact CD1-CZ 4.48Å; F82-F256 HydrophobicContact CE1-CE1 4.12Å; F82-Y289 HydrophobicContact CE2-CE2 4.37Å; F82-Y289 AromaticContact CZ-CD2 3.96Å; F82-Y289 HydrophobicContact CZ-CD2 3.96Å; F82-Y289 AromaticContact CZ-CE2 3.82Å; F82-Y289 HydrophobicContact CZ-CE2 3.82Å
83Y98.9Very high96.3Very high0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-113.7125.9162.8171.6-106.3000108K12 L13 L58 L59 H98 E104 L108 L130 Y131K12-Y83 HydrophobicContact CB-CE2 4.21Å; L13-Y83 WeakPolarHBondContact O-CA 3.48Å; L13-Y83 WeakPolarHBondContact O-CD2 3.35Å; L58-Y83 HydrophobicContact CD2-CD2 4.28Å; L58-Y83 HydrophobicContact CD2-CE2 4.14Å; L59-Y83 HydrophobicContact CD1-CD1 4.43Å; L59-Y83 HydrophobicContact CD1-CE1 4.04Å; L59-Y83 HydrophobicContact CD1-CE2 4.3Å; L59-Y83 HydrophobicContact CD2-CD2 3.86Å; L59-Y83 HydrophobicContact CD2-CE2 4.1Å; L59-Y83 HydrophobicContact CD2-CG 4.1Å; L59-Y83 HydrophobicContact CG-CD2 4.26Å; L59-Y83 HydrophobicContact CG-CE2 3.98Å; Y83-H98 PolarHBondContact OH-CE1 2.97Å; Y83-H98 VanDerWaalsContact OH-CE1 3.26Å; Y83-H98 PolarHBondContact OH-ND1 3.43Å; Y83-H98 VanDerWaalsContact OH-ND1 3.12Å; Y83-E104 HydrophobicContact CE1-CB 4Å; Y83-E104 HydrophobicContact CE1-CG 4.2Å; Y83-E104 PolarHBondContact OH-OE1 3.19Å; Y83-L108 HydrophobicContact CD1-CD1 3.79Å; Y83-L108 HydrophobicContact CG-CD1 4.1Å; Y83-L130 CarbonylContact O-C 3.49Å; Y83-L130 WeakPolarHBondContact O-CA 3.49Å; Y83-Y131 PolarHBondContact N-O 3.17Å; Y83-Y131 PolarHBondContact O-N 2.69Å
84S98.9Very high96.5Very high5 Ų534.8 Ų34.84%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-148.2160.8-177.361.10000113.3L13 W128 Y129L13-S84 PolarHBondContact N-O 2.76Å; L13-S84 PolarHBondContact O-N 3.16Å; S84-W128 WeakPolarHBondContact OG-CZ2 3.27Å; S84-Y129 WeakPolarHBondContact CA-O 3.28Å; S84-Y129 VanDerWaalsContact CB-O 3.23Å; S84-Y129 WeakPolarHBondContact CB-O 3.32Å
85R98.9Very high96.6Very high9 Ų934.3 Ų34.33%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-167.7154.9171.254.3173.9-170.673.57.3111.3E11 F88 E104 Y129E11-R85 WeakPolarHBondContact O-CB 3.06Å; R85-F88 VanDerWaalsContact CZ-CE2 3.44Å; R85-E104 IonicContact CZ-OE1 2.64Å; R85-E104 IonicContact CZ-OE2 2.82Å; R85-E104 VanDerWaalsContact NE-CD 3.28Å; R85-E104 IonicContact NE-OE1 2.76Å; R85-E104 PolarHBondContact NE-OE1 3.21Å; R85-E104 IonicContact NE-OE2 3.81Å; R85-E104 PolarHBondContact NE-OE2 3.33Å; R85-E104 IonicContact NH2-OE1 3.77Å; R85-E104 IonicContact NH2-OE2 3.05Å; R85-E104 PolarHBondContact NH2-OE2 3.03Å; R85-Y129 HydrophobicContact CG-CD2 4.5Å; R85-Y129 PolarHBondContact N-O 2.97Å; R85-Y129 VanDerWaalsContact N-O 3.1Å; R85-Y129 PolarHBondContact O-N 2.85Å
86K98.8Very high96.8Very high9 Ų938.4 Ų38.44%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-68.5160.3162-170.6-176.4175.5-60.10110.2T10 F88 D126 C127 L151 Y223 V252T10-K86 HydrophobicContact CG2-CB 3.82Å; K86-F88 PolarHBondContact O-N 3.3Å; K86-D126 VanDerWaalsContact CE-OD1 3.29Å; K86-D126 WeakPolarHBondContact CE-OD1 3.34Å; K86-D126 IonicContact NZ-OD1 3.19Å; K86-D126 PolarHBondContact NZ-OD1 3.3Å; K86-C127 WeakPolarHBondContact CA-O 3.45Å; K86-C127 WeakPolarHBondContact CG-O 3.3Å; K86-L151 HydrophobicContact CB-CD1 3.85Å; K86-L151 HydrophobicContact CD-CB 4.29Å; K86-L151 HydrophobicContact CD-CD1 4.35Å; K86-Y223 HydrophobicContact CD-CE2 4.39Å; K86-V252 HydrophobicContact CD-CG2 4.13Å
87N98.6Very high97.1Very high35 Ų3534.5 Ų34.519%0.18719%0.186CC..PPolyproline II helixtrans-57.7132.7166.171.7-66.1000111.2C127 Y129N87-C127 PolarHBondContact N-O 3.15Å; N87-C127 PolarHBondContact OD1-N 2.74Å; N87-C127 VanDerWaalsContact OD1-N 3.11Å; N87-C127 PolarHBondContact OD1-O 2.81Å; N87-Y129 HydrophobicContact CB-CE2 4Å
88F98.6Very high97.3Very high7 Ų733.7 Ų33.73%0.03118%0.181CC..PPolyproline II helixtrans-66.5152.1177.2-64.1-54.4000111.7E8 T10 K12 R85 K86 P91 Q94E8-F88 HydrophobicContact CG-CD1 3.72Å; E8-F88 HydrophobicContact CG-CE1 4.38Å; E8-F88 HydrophobicContact CG-CG 4.45Å; T10-F88 HydrophobicContact CG2-CD1 4.01Å; T10-F88 HydrophobicContact CG2-CE1 4.35Å; K12-F88 HydrophobicContact CD-CZ 4.42Å; K12-F88 HydrophobicContact CG-CE1 4.32Å; K12-F88 HydrophobicContact CG-CZ 3.97Å; R85-F88 VanDerWaalsContact CZ-CE2 3.44Å; K86-F88 PolarHBondContact O-N 3.3Å; F88-P91 HydrophobicContact CB-CB 4.49Å; F88-P91 HydrophobicContact CB-CG 4.08Å; F88-Q94 HydrophobicContact CD2-CG 3.73Å; F88-Q94 HydrophobicContact CE2-CG 3.7Å; F88-Q94 HydrophobicContact CG-CG 4.26Å; F88-Q94 HydrophobicContact CZ-CG 4.21Å
89M97.3Very high97.6Very high72 Ų7238.7 Ų38.736%0.35520%0.198SC..SBendtrans-70-41.3169.8-63.8-169.5-173.900111.2F6 E8 F221 Y223F6-M89 HydrophobicContact CE2-CB 4.2Å; F6-M89 HydrophobicContact CZ-CB 4Å; E8-M89 PolarHBondContact OE1-N 2.61Å; E8-M89 PolarHBondContact OE2-N 3.08Å; E8-M89 VanDerWaalsContact OE2-N 3.16Å; M89-F221 HydrophobicContact SD-CB 3.79Å; M89-Y223 HydrophobicContact CE-CD2 4.06Å
90K97.8Very high97.9Very high77 Ų7741 Ų4134%0.33521%0.211SC..  trans-127.778.8175.5-64.4-169.4-175.5176.40111.6F6 E8 S92 H93F6-K90 HydrophobicContact CD1-CB 4.49Å; F6-K90 HydrophobicContact CD1-CD 3.78Å; F6-K90 HydrophobicContact CD1-CG 4.4Å; F6-K90 HydrophobicContact CD2-CD 3.92Å; F6-K90 HydrophobicContact CD2-CG 4.45Å; F6-K90 HydrophobicContact CE1-CB 3.75Å; F6-K90 HydrophobicContact CE1-CD 3.78Å; F6-K90 HydrophobicContact CE1-CG 3.88Å; F6-K90 HydrophobicContact CE2-CD 3.93Å; F6-K90 HydrophobicContact CE2-CG 3.94Å; F6-K90 HydrophobicContact CG-CD 3.85Å; F6-K90 HydrophobicContact CZ-CB 3.82Å; F6-K90 HydrophobicContact CZ-CD 3.86Å; F6-K90 HydrophobicContact CZ-CG 3.63Å; E8-K90 PolarHBondContact OE2-N 2.87Å; K90-S92 PolarHBondContact O-N 2.99Å; K90-S92 VanDerWaalsContact O-N 3.1Å; K90-H93 HydrophobicContact CB-CB 4.38Å; K90-H93 WeakPolarHBondContact O-CB 3.45Å; K90-H93 PolarHBondContact O-N 2.94Å
91P97.5Very high98.2Very high62 Ų6241.5 Ų41.540%0.40321%0.212SC..G310 helixtrans-53.7-34179.9-24.531.8000114.3F88 H93 Q94F88-P91 HydrophobicContact CB-CB 4.49Å; F88-P91 HydrophobicContact CB-CG 4.08Å; P91-H93 PolarHBondContact O-N 3.42Å; P91-Q94 WeakPolarHBondContact O-CB 3.26Å; P91-Q94 PolarHBondContact O-N 3.1Å; P91-Q94 VanDerWaalsContact O-N 3.15Å
92S97.4Very high98.4Very high109 Ų10946.6 Ų46.676%0.76224%0.236SC*.G310 helixtrans-66.5-15.6-179.755.30000114.8K90 Q94K90-S92 PolarHBondContact O-N 2.99Å; K90-S92 VanDerWaalsContact O-N 3.1Å; S92-Q94 VanDerWaalsContact C-N 3.33Å
93H97.4Very high98.4Very high92 Ų9246.5 Ų46.543%0.42624%0.236SC..G310 helixtrans-82.3-13.8176.5-73.5-149.7000112.5F6 K90 P91F6-H93 AromaticContact CD1-CE1 3.92Å; F6-H93 AromaticContact CD1-ND1 3.56Å; K90-H93 HydrophobicContact CB-CB 4.38Å; K90-H93 WeakPolarHBondContact O-CB 3.45Å; K90-H93 PolarHBondContact O-N 2.94Å; P91-H93 PolarHBondContact O-N 3.42Å
94Q98.5Very high98.4Very high8 Ų846.5 Ų46.54%0.03724%0.236CC..PPolyproline II helixtrans-77.6142.6-178.7-61-64.6-39.400110.9G54 F88 P91 S92 H98 R99G54-Q94 PolarHBondContact O-NE2 2.78Å; G54-Q94 PolarHBondContact O-OE1 2.65Å; F88-Q94 HydrophobicContact CD2-CG 3.73Å; F88-Q94 HydrophobicContact CE2-CG 3.7Å; F88-Q94 HydrophobicContact CG-CG 4.26Å; F88-Q94 HydrophobicContact CZ-CG 4.21Å; P91-Q94 WeakPolarHBondContact O-CB 3.26Å; P91-Q94 PolarHBondContact O-N 3.1Å; P91-Q94 VanDerWaalsContact O-N 3.15Å; S92-Q94 VanDerWaalsContact C-N 3.33Å; Q94-H98 HydrophobicContact CB-CB 4.13Å; Q94-H98 WeakPolarHBondContact CB-O 3.29Å; Q94-R99 WeakPolarHBondContact O-CG 3.45Å
95G98.1Very high98.4Very high29 Ų2947.3 Ų47.330%0.29924%0.239SC..PPolyproline II helixtrans-88165.2172.300000112.1H98G95-H98 WeakPolarHBondContact O-CA 3.46Å; G95-H98 WeakPolarHBondContact O-CB 3.18Å; G95-H98 PolarHBondContact O-N 2.98Å
96Y98.4Very high98.4Very high112 Ų11252.3 Ų52.344%0.43926%0.263SS..THydrogen-bonded Turntrans-58.6134171.5175.5-88.5000111.3E103 F107Y96-E103 WeakPolarHBondContact CA-OE1 3.29Å; Y96-E103 VanDerWaalsContact CD2-CD 3.44Å; Y96-E103 HydrophobicContact CD2-CG 3.83Å; Y96-E103 WeakPolarHBondContact CD2-OE1 3.32Å; Y96-E103 HydrophobicContact CE2-CG 3.9Å; Y96-F107 HydrophobicContact CE1-CD2 4.15Å; Y96-F107 HydrophobicContact CE1-CE2 4.43Å
97P98.4Very high98.4Very high0 Ų053.7 Ų53.70%027%0.269CS..THydrogen-bonded Turncis-982711.739.4-38.4000115.3L59 E103 E104 F107L59-P97 HydrophobicContact CB-CG 3.89Å; L59-P97 HydrophobicContact CD1-CG 4.35Å; P97-E103 VanDerWaalsContact CA-OE1 3.31Å; P97-E103 WeakPolarHBondContact CA-OE1 3.33Å; P97-E103 HydrophobicContact CB-CG 4.44Å; P97-E104 WeakPolarHBondContact O-CG 3.24Å; P97-E104 PolarHBondContact O-N 3.21Å; P97-F107 HydrophobicContact CB-CB 3.78Å; P97-F107 HydrophobicContact CB-CD2 3.64Å; P97-F107 HydrophobicContact CB-CE2 4.37Å; P97-F107 HydrophobicContact CB-CG 3.71Å; P97-F107 HydrophobicContact CG-CB 4.38Å; P97-F107 HydrophobicContact CG-CD1 4.23Å; P97-F107 HydrophobicContact CG-CD2 3.85Å; P97-F107 HydrophobicContact CG-CE2 4.17Å; P97-F107 HydrophobicContact CG-CG 3.88Å; P97-F107 HydrophobicContact CG-CZ 4.49Å
98H98.8Very high98.4Very high0 Ų052 Ų520%026%0.26CS..  trans-111.116.2-168.2-64.8-71.8000114.9L58 L59 Y83 Q94 G95 N100 E103 E104L58-H98 PolarHBondContact N-NE2 3.2Å; L59-H98 VanDerWaalsContact CG-CE1 3.49Å; L59-H98 WeakPolarHBondContact CG-CE1 3.3Å; L59-H98 PolarHBondContact N-NE2 3.44Å; Y83-H98 PolarHBondContact OH-CE1 2.97Å; Y83-H98 VanDerWaalsContact OH-CE1 3.26Å; Y83-H98 PolarHBondContact OH-ND1 3.43Å; Y83-H98 VanDerWaalsContact OH-ND1 3.12Å; Q94-H98 HydrophobicContact CB-CB 4.13Å; Q94-H98 WeakPolarHBondContact CB-O 3.29Å; G95-H98 WeakPolarHBondContact O-CA 3.46Å; G95-H98 WeakPolarHBondContact O-CB 3.18Å; G95-H98 PolarHBondContact O-N 2.98Å; H98-N100 VanDerWaalsContact C-N 3.27Å; H98-N100 PolarHBondContact O-N 3.29Å; H98-E103 PolarHBondContact N-OE1 2.94Å; H98-E104 IonicContact CE1-OE1 2.73Å; H98-E104 IonicContact CG-OE1 2.67Å; H98-E104 IonicContact ND1-OE1 3.59Å; H98-E104 PolarHBondContact ND1-OE1 3.36Å
99R98.5Very high98.4Very high128 Ų12855.4 Ų55.448%0.48328%0.279SS..SBendtrans-66.5-29.8-176.3-69.4177.4-70-176.93.7113Q94 E103Q94-R99 WeakPolarHBondContact O-CG 3.45Å; R99-E103 WeakPolarHBondContact CB-OE1 3.28Å; R99-E103 WeakPolarHBondContact CG-OE1 3.18Å; R99-E103 IonicContact CZ-OE1 3.35Å; R99-E103 IonicContact CZ-OE2 3.27Å; R99-E103 PolarHBondContact N-OE1 2.81Å; R99-E103 VanDerWaalsContact NE-CD 3.28Å; R99-E103 IonicContact NE-OE1 2.72Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.09Å; R99-E103 PolarHBondContact NE-OE2 3.49Å; R99-E103 IonicContact NH2-OE1 3.38Å; R99-E103 IonicContact NH2-OE2 2.84Å; R99-E103 PolarHBondContact NH2-OE2 3.21Å
100N98.7Very high98.5Very high76 Ų7656.3 Ų56.341%0.40630%0.298SS..SBendtrans-162.3169.2175.759.673000109.5H98 Q102 E103 E104H98-N100 VanDerWaalsContact C-N 3.27Å; H98-N100 PolarHBondContact O-N 3.29Å; N100-Q102 PolarHBondContact O-N 2.87Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.43Å; N100-Q102 PolarHBondContact OD1-N 3.43Å; N100-Q102 VanDerWaalsContact OD1-N 3.12Å; N100-E103 PolarHBondContact O-N 2.93Å; N100-E103 PolarHBondContact OD1-N 3.49Å; N100-E104 WeakPolarHBondContact O-CG 3.37Å; N100-E104 PolarHBondContact O-N 3Å
101F98.8Very high98.5Very high22 Ų2255 Ų5510%0.09629%0.294CS..Hα-helixtrans-69.9-30.6-175.7-170.2-131.8000113.8E103 E104 I105 A117 Y118 Y129 L130F101-E103 VanDerWaalsContact C-N 3.32Å; F101-E103 PolarHBondContact O-N 3.14Å; F101-E104 WeakPolarHBondContact CA-OE2 3.37Å; F101-E104 HydrophobicContact CD2-CB 4.26Å; F101-E104 WeakPolarHBondContact CD2-OE2 3.34Å; F101-E104 PolarHBondContact O-N 2.95Å; F101-I105 HydrophobicContact CD1-CD1 3.78Å; F101-I105 HydrophobicContact CD1-CG1 4.38Å; F101-I105 HydrophobicContact CD2-CG1 4.43Å; F101-I105 HydrophobicContact CE1-CD1 3.71Å; F101-I105 HydrophobicContact CE1-CG1 4.15Å; F101-I105 HydrophobicContact CE2-CG1 4.18Å; F101-I105 HydrophobicContact CG-CD1 4.26Å; F101-I105 HydrophobicContact CZ-CD1 4.1Å; F101-I105 HydrophobicContact CZ-CG1 4.01Å; F101-I105 WeakPolarHBondContact O-CG1 3.48Å; F101-I105 PolarHBondContact O-N 2.9Å; F101-A117 HydrophobicContact CE1-CB 4.08Å; F101-A117 HydrophobicContact CZ-CB 4.07Å; F101-Y118 WeakPolarHBondContact CE1-O 3.35Å; F101-Y129 HydrophobicContact CB-CD1 3.92Å; F101-Y129 HydrophobicContact CB-CD2 4.33Å; F101-Y129 HydrophobicContact CB-CE1 4.1Å; F101-Y129 HydrophobicContact CB-CE2 4.49Å; F101-Y129 HydrophobicContact CB-CG 4.03Å; F101-Y129 AromaticContact CD1-CD1 3.27Å; F101-Y129 HydrophobicContact CD1-CD1 3.27Å; F101-Y129 AromaticContact CD1-CE1 3.99Å; F101-Y129 HydrophobicContact CD1-CE1 3.99Å; F101-Y129 AromaticContact CD1-CG 3.77Å; F101-Y129 HydrophobicContact CD1-CG 3.77Å; F101-Y129 HydrophobicContact CD2-CD1 4.36Å; F101-Y129 HydrophobicContact CD2-CG 4.01Å; F101-Y129 AromaticContact CE1-CD1 3.83Å; F101-Y129 HydrophobicContact CE1-CD1 3.83Å; F101-Y129 HydrophobicContact CE1-CG 4.23Å; F101-Y129 HydrophobicContact CE2-CG 4.47Å; F101-Y129 AromaticContact CG-CD1 3.6Å; F101-Y129 HydrophobicContact CG-CD1 3.6Å; F101-Y129 HydrophobicContact CG-CD2 4.39Å; F101-Y129 HydrophobicContact CG-CE1 4.26Å; F101-Y129 AromaticContact CG-CG 3.67Å; F101-Y129 HydrophobicContact CG-CG 3.67Å; F101-L130 WeakPolarHBondContact CZ-O 3.23Å
102Q98.8Very high98.5Very high106 Ų10653 Ų5350%0.49528%0.279SS..Hα-helixtrans-62.8-40.6175.7-177.95940.500111.6N100 I105 E106N100-Q102 PolarHBondContact O-N 2.87Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.43Å; N100-Q102 PolarHBondContact OD1-N 3.43Å; N100-Q102 VanDerWaalsContact OD1-N 3.12Å; Q102-I105 WeakPolarHBondContact O-CB 3.48Å; Q102-I105 PolarHBondContact O-N 3.35Å; Q102-E106 PolarHBondContact NE2-OE1 2.87Å; Q102-E106 WeakPolarHBondContact O-CG 3.17Å; Q102-E106 PolarHBondContact O-N 3.01Å
103E98.8Very high98.5Very high18 Ų1853.9 Ų53.98%0.08428%0.282CS..Hα-helixtrans-65-38.7174.9-177.8171.1109.200112.8Y96 P97 H98 R99 N100 F101 I105 E106 F107Y96-E103 WeakPolarHBondContact CA-OE1 3.29Å; Y96-E103 VanDerWaalsContact CD2-CD 3.44Å; Y96-E103 HydrophobicContact CD2-CG 3.83Å; Y96-E103 WeakPolarHBondContact CD2-OE1 3.32Å; Y96-E103 HydrophobicContact CE2-CG 3.9Å; P97-E103 VanDerWaalsContact CA-OE1 3.31Å; P97-E103 WeakPolarHBondContact CA-OE1 3.33Å; P97-E103 HydrophobicContact CB-CG 4.44Å; H98-E103 PolarHBondContact N-OE1 2.94Å; R99-E103 WeakPolarHBondContact CB-OE1 3.28Å; R99-E103 WeakPolarHBondContact CG-OE1 3.18Å; R99-E103 IonicContact CZ-OE1 3.35Å; R99-E103 IonicContact CZ-OE2 3.27Å; R99-E103 PolarHBondContact N-OE1 2.81Å; R99-E103 VanDerWaalsContact NE-CD 3.28Å; R99-E103 IonicContact NE-OE1 2.72Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.09Å; R99-E103 PolarHBondContact NE-OE2 3.49Å; R99-E103 IonicContact NH2-OE1 3.38Å; R99-E103 IonicContact NH2-OE2 2.84Å; R99-E103 PolarHBondContact NH2-OE2 3.21Å; N100-E103 PolarHBondContact O-N 2.93Å; N100-E103 PolarHBondContact OD1-N 3.49Å; F101-E103 VanDerWaalsContact C-N 3.32Å; F101-E103 PolarHBondContact O-N 3.14Å; E103-I105 VanDerWaalsContact C-N 3.35Å; E103-E106 PolarHBondContact O-N 3.21Å; E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 PolarHBondContact O-N 2.95Å
104E98.9Very high98.4Very high0 Ų051.8 Ų51.80%027%0.274CS..Hα-helixtrans-65.7-40.2175.7-66168.1135.800111.1L59 Y83 R85 P97 H98 N100 F101 F107 L108L59-E104 HydrophobicContact CD1-CB 4.02Å; L59-E104 HydrophobicContact CD1-CG 4.12Å; Y83-E104 HydrophobicContact CE1-CB 4Å; Y83-E104 HydrophobicContact CE1-CG 4.2Å; Y83-E104 PolarHBondContact OH-OE1 3.19Å; R85-E104 IonicContact CZ-OE1 2.64Å; R85-E104 IonicContact CZ-OE2 2.82Å; R85-E104 VanDerWaalsContact NE-CD 3.28Å; R85-E104 IonicContact NE-OE1 2.76Å; R85-E104 PolarHBondContact NE-OE1 3.21Å; R85-E104 IonicContact NE-OE2 3.81Å; R85-E104 PolarHBondContact NE-OE2 3.33Å; R85-E104 IonicContact NH2-OE1 3.77Å; R85-E104 IonicContact NH2-OE2 3.05Å; R85-E104 PolarHBondContact NH2-OE2 3.03Å; P97-E104 WeakPolarHBondContact O-CG 3.24Å; P97-E104 PolarHBondContact O-N 3.21Å; H98-E104 IonicContact CE1-OE1 2.73Å; H98-E104 IonicContact CG-OE1 2.67Å; H98-E104 IonicContact ND1-OE1 3.59Å; H98-E104 PolarHBondContact ND1-OE1 3.36Å; N100-E104 WeakPolarHBondContact O-CG 3.37Å; N100-E104 PolarHBondContact O-N 3Å; F101-E104 WeakPolarHBondContact CA-OE2 3.37Å; F101-E104 HydrophobicContact CD2-CB 4.26Å; F101-E104 WeakPolarHBondContact CD2-OE2 3.34Å; F101-E104 PolarHBondContact O-N 2.95Å; E104-F107 PolarHBondContact O-N 2.89Å; E104-L108 WeakPolarHBondContact O-CB 3.47Å; E104-L108 WeakPolarHBondContact O-CG 3.1Å; E104-L108 PolarHBondContact O-N 3.2Å
105I98.9Very high98.3Very high22 Ų2252.9 Ų52.911%0.11329%0.287CS..Hα-helixtrans-60.8-48.7173.4-68.1163.8000110.5F101 Q102 E103 F107 L108 N109 A117 Y131F101-I105 HydrophobicContact CD1-CD1 3.78Å; F101-I105 HydrophobicContact CD1-CG1 4.38Å; F101-I105 HydrophobicContact CD2-CG1 4.43Å; F101-I105 HydrophobicContact CE1-CD1 3.71Å; F101-I105 HydrophobicContact CE1-CG1 4.15Å; F101-I105 HydrophobicContact CE2-CG1 4.18Å; F101-I105 HydrophobicContact CG-CD1 4.26Å; F101-I105 HydrophobicContact CZ-CD1 4.1Å; F101-I105 HydrophobicContact CZ-CG1 4.01Å; F101-I105 WeakPolarHBondContact O-CG1 3.48Å; F101-I105 PolarHBondContact O-N 2.9Å; Q102-I105 WeakPolarHBondContact O-CB 3.48Å; Q102-I105 PolarHBondContact O-N 3.35Å; E103-I105 VanDerWaalsContact C-N 3.35Å; I105-F107 VanDerWaalsContact C-N 3.35Å; I105-F107 PolarHBondContact O-N 2.88Å; I105-L108 PolarHBondContact O-N 3.3Å; I105-N109 WeakPolarHBondContact CG2-ND2 3.49Å; I105-N109 VanDerWaalsContact O-CB 3.32Å; I105-N109 WeakPolarHBondContact O-CB 3.24Å; I105-N109 PolarHBondContact O-N 2.95Å; I105-A117 HydrophobicContact CD1-CB 3.52Å; I105-A117 HydrophobicContact CG1-CB 3.69Å; I105-Y131 HydrophobicContact CG1-CD2 4.16Å; I105-Y131 HydrophobicContact CG2-CE2 4.28Å
106E98.8Very high98.3Very high114 Ų11452.3 Ų52.353%0.53328%0.279SS..Hα-helixtrans-62.4-42-179.7-75.5168.5-164.600112.1Q102 E103 N109 A110Q102-E106 PolarHBondContact NE2-OE1 2.87Å; Q102-E106 WeakPolarHBondContact O-CG 3.17Å; Q102-E106 PolarHBondContact O-N 3.01Å; E103-E106 PolarHBondContact O-N 3.21Å; E106-N109 PolarHBondContact O-N 3.14Å; E106-A110 PolarHBondContact O-N 2.98Å; E106-A110 VanDerWaalsContact O-N 3.15Å
107F98.9Very high98.3Very high38 Ų3849 Ų4917%0.16728%0.275CS..Hα-helixtrans-60.7-44.6174.5-176.8-87.8000111.8L59 Y96 P97 E103 E104 I105 A110 I111L59-F107 HydrophobicContact CB-CD1 3.9Å; L59-F107 HydrophobicContact CB-CE1 3.76Å; L59-F107 HydrophobicContact CD1-CD1 4.19Å; L59-F107 WeakPolarHBondContact O-CE1 3.42Å; Y96-F107 HydrophobicContact CE1-CD2 4.15Å; Y96-F107 HydrophobicContact CE1-CE2 4.43Å; P97-F107 HydrophobicContact CB-CB 3.78Å; P97-F107 HydrophobicContact CB-CD2 3.64Å; P97-F107 HydrophobicContact CB-CE2 4.37Å; P97-F107 HydrophobicContact CB-CG 3.71Å; P97-F107 HydrophobicContact CG-CB 4.38Å; P97-F107 HydrophobicContact CG-CD1 4.23Å; P97-F107 HydrophobicContact CG-CD2 3.85Å; P97-F107 HydrophobicContact CG-CE2 4.17Å; P97-F107 HydrophobicContact CG-CG 3.88Å; P97-F107 HydrophobicContact CG-CZ 4.49Å; E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 PolarHBondContact O-N 2.95Å; E104-F107 PolarHBondContact O-N 2.89Å; I105-F107 VanDerWaalsContact C-N 3.35Å; I105-F107 PolarHBondContact O-N 2.88Å; F107-A110 PolarHBondContact O-N 2.58Å; F107-I111 HydrophobicContact CD1-CD1 4.07Å; F107-I111 HydrophobicContact CE1-CD1 3.64Å; F107-I111 HydrophobicContact CZ-CD1 4.35Å
108L98.8Very high98.3Very high0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-71-36.2179-74.9165.6000112.7L59 L62 F81 Y83 E104 I105 A110 I111 F112 Y131L59-L108 HydrophobicContact CD1-CD1 4.25Å; L59-L108 HydrophobicContact CD1-CG 4.24Å; L59-L108 HydrophobicContact CD2-CD1 4.14Å; L59-L108 HydrophobicContact CD2-CD2 3.65Å; L59-L108 HydrophobicContact CD2-CG 4.02Å; L62-L108 HydrophobicContact CD2-CD2 3.62Å; F81-L108 HydrophobicContact CE1-CD2 4.12Å; F81-L108 HydrophobicContact CZ-CD2 3.76Å; Y83-L108 HydrophobicContact CD1-CD1 3.79Å; Y83-L108 HydrophobicContact CG-CD1 4.1Å; E104-L108 WeakPolarHBondContact O-CB 3.47Å; E104-L108 WeakPolarHBondContact O-CG 3.1Å; E104-L108 PolarHBondContact O-N 3.2Å; I105-L108 PolarHBondContact O-N 3.3Å; L108-A110 PolarHBondContact O-N 3.39Å; L108-I111 CarbonylContact O-C 3.48Å; L108-I111 WeakPolarHBondContact O-CA 3.32Å; L108-I111 WeakPolarHBondContact O-CB 3.38Å; L108-I111 PolarHBondContact O-N 3.36Å; L108-F112 HydrophobicContact CD2-CD2 4.38Å; L108-F112 HydrophobicContact CD2-CE2 4.19Å; L108-F112 PolarHBondContact O-N 3.11Å; L108-Y131 HydrophobicContact CB-CD1 4.19Å; L108-Y131 HydrophobicContact CB-CD2 4.15Å; L108-Y131 HydrophobicContact CB-CE1 3.76Å; L108-Y131 HydrophobicContact CB-CE2 3.72Å; L108-Y131 HydrophobicContact CB-CG 4.35Å; L108-Y131 VanDerWaalsContact CB-CZ 3.48Å; L108-Y131 HydrophobicContact CD1-CD1 3.67Å; L108-Y131 HydrophobicContact CD1-CD2 3.92Å; L108-Y131 HydrophobicContact CD1-CE1 4.12Å; L108-Y131 HydrophobicContact CD1-CE2 4.36Å; L108-Y131 HydrophobicContact CD1-CG 3.53Å; L108-Y131 HydrophobicContact CG-CD1 4.4Å; L108-Y131 HydrophobicContact CG-CE1 4.38Å
109N98.7Very high98.3Very high79 Ų7955.2 Ų55.242%0.42231%0.305SS..Hα-helixtrans-66.3-24.8175.7-75.4-9000112.9I105 E106 I111 Y131I105-N109 WeakPolarHBondContact CG2-ND2 3.49Å; I105-N109 VanDerWaalsContact O-CB 3.32Å; I105-N109 WeakPolarHBondContact O-CB 3.24Å; I105-N109 PolarHBondContact O-N 2.95Å; E106-N109 PolarHBondContact O-N 3.14Å; N109-I111 PolarHBondContact O-N 2.8Å; N109-Y131 VanDerWaalsContact OD1-CE2 3.32Å; N109-Y131 WeakPolarHBondContact OD1-CE2 3.31Å; N109-Y131 PolarHBondContact OD1-OH 2.6Å
110A98.5Very high98.3Very high91 Ų9149.8 Ų49.875%0.75229%0.285SS*.THydrogen-bonded Turntrans-70.3-17.4170.200000112.8E106 F107 L108E106-A110 PolarHBondContact O-N 2.98Å; E106-A110 VanDerWaalsContact O-N 3.15Å; F107-A110 PolarHBondContact O-N 2.58Å; L108-A110 PolarHBondContact O-N 3.39Å
111I98.4Very high98.2Very high48 Ų4846.6 Ų46.625%0.24627%0.271CS..THydrogen-bonded Turntrans-101.6-42-179.5-57.2170.2000110.7L62 V63 L66 F107 L108 N109L62-I111 HydrophobicContact CD2-CD1 3.91Å; V63-I111 HydrophobicContact CG2-CD1 3.95Å; V63-I111 HydrophobicContact CG2-CG1 4.31Å; L66-I111 HydrophobicContact CD1-CG2 4.47Å; F107-I111 HydrophobicContact CD1-CD1 4.07Å; F107-I111 HydrophobicContact CE1-CD1 3.64Å; F107-I111 HydrophobicContact CZ-CD1 4.35Å; L108-I111 CarbonylContact O-C 3.48Å; L108-I111 WeakPolarHBondContact O-CA 3.32Å; L108-I111 WeakPolarHBondContact O-CB 3.38Å; L108-I111 PolarHBondContact O-N 3.36Å; N109-I111 PolarHBondContact O-N 2.8Å
112F97.8Very high98.2Very high20 Ų2050.3 Ų50.39%0.08828%0.284CS..  trans-122.2133.3-173.9-55.3-61.9000112L62 L66 I78 F81 L108 Y131 L133L62-F112 HydrophobicContact CD2-CE2 3.84Å; L62-F112 HydrophobicContact CD2-CZ 4.18Å; L66-F112 HydrophobicContact CD1-CE1 4.28Å; L66-F112 HydrophobicContact CD1-CZ 4.16Å; I78-F112 HydrophobicContact CD1-CE1 3.52Å; I78-F112 HydrophobicContact CD1-CZ 3.71Å; F81-F112 HydrophobicContact CD2-CE2 4.08Å; F81-F112 HydrophobicContact CD2-CZ 4.15Å; F81-F112 HydrophobicContact CE1-CE2 4.24Å; F81-F112 AromaticContact CE2-CE2 3.76Å; F81-F112 HydrophobicContact CE2-CE2 3.76Å; F81-F112 HydrophobicContact CE2-CZ 4.06Å; F81-F112 HydrophobicContact CG-CE2 4.46Å; F81-F112 AromaticContact CZ-CE2 3.86Å; F81-F112 HydrophobicContact CZ-CE2 3.86Å; L108-F112 HydrophobicContact CD2-CD2 4.38Å; L108-F112 HydrophobicContact CD2-CE2 4.19Å; L108-F112 PolarHBondContact O-N 3.11Å; F112-Y131 HydrophobicContact CD2-CE1 4.37Å; F112-L133 HydrophobicContact CB-CD2 3.52Å; F112-L133 HydrophobicContact CD1-CD1 4.02Å; F112-L133 HydrophobicContact CD1-CD2 4.41Å; F112-L133 HydrophobicContact CD2-CD1 4.37Å; F112-L133 HydrophobicContact CD2-CD2 3.87Å; F112-L133 HydrophobicContact CE1-CD1 4.23Å; F112-L133 HydrophobicContact CG-CD1 4.1Å; F112-L133 HydrophobicContact CG-CD2 3.7Å; F112-L133 HydrophobicContact CZ-CD1 4.47Å
113P96.4Very high98Very high129 Ų12952.6 Ų52.684%0.83830%0.297SS*.THydrogen-bonded Turntrans-81.9-14.9-179.533.3-36000113.9
114N96.2Very high97.9Very high48 Ų4858.9 Ų58.926%0.25733%0.331SS..THydrogen-bonded Turntrans-119.438-16962.6-39.9000112.5L133 D134N114-L133 WeakPolarHBondContact O-CA 3.44Å; N114-D134 WeakPolarHBondContact CB-O 3.34Å; N114-D134 PolarHBondContact ND2-O 3.38Å; N114-D134 PolarHBondContact O-N 3.32Å
115G97.6Very high97.8Very high30 Ų3061.5 Ų61.531%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-71.4138.8177.400000114Y131G115-Y131 VanDerWaalsContact CA-CZ 3.42Å; G115-Y131 WeakPolarHBondContact CA-OH 3.24Å
116A97.8Very high97.7Very high17 Ų1761.4 Ų61.414%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-127.9126.5169.600000109.8Y118 Y131 T132A116-Y118 HydrophobicContact CB-CE2 3.73Å; A116-Y131 WeakPolarHBondContact O-CA 3.27Å; A116-T132 HydrophobicContact CB-CG2 4.37Å; A116-T132 PolarHBondContact N-O 2.77Å; A116-T132 PolarHBondContact O-N 3.41Å
117A98.4Very high97.7Very high42 Ų4256 Ų5635%0.34732%0.323SS..EExtended strand (participates in β ladder)trans-119.6140.2-17400000112.2F101 I105 L130 Y131F101-A117 HydrophobicContact CE1-CB 4.08Å; F101-A117 HydrophobicContact CZ-CB 4.07Å; I105-A117 HydrophobicContact CD1-CB 3.52Å; I105-A117 HydrophobicContact CG1-CB 3.69Å; A117-L130 CarbonylContact C-O 3.49Å; A117-L130 VanDerWaalsContact CA-O 3.27Å; A117-L130 WeakPolarHBondContact CA-O 3.44Å; A117-Y131 HydrophobicContact CB-CD2 4.16Å
118Y98.5Very high97.7Very high90 Ų9054.2 Ų54.235%0.35332%0.316SS..EExtended strand (participates in β ladder)trans-139.3150.7-173.9-54.2-88.8000111.3F101 A116 Y129 L130 T132 F286F101-Y118 WeakPolarHBondContact CE1-O 3.35Å; A116-Y118 HydrophobicContact CB-CE2 3.73Å; Y118-Y129 WeakPolarHBondContact O-CA 3.43Å; Y118-L130 HydrophobicContact CD2-CD2 4.22Å; Y118-L130 HydrophobicContact CD2-CG 4.48Å; Y118-L130 PolarHBondContact N-O 2.81Å; Y118-L130 PolarHBondContact O-N 3.02Å; Y118-T132 HydrophobicContact CE2-CG2 4.09Å; Y118-F286 AromaticContact CD1-CE1 3.75Å; Y118-F286 HydrophobicContact CD1-CE1 3.75Å; Y118-F286 HydrophobicContact CD1-CZ 4.41Å; Y118-F286 HydrophobicContact CD2-CD1 4.22Å; Y118-F286 AromaticContact CD2-CE1 3.52Å; Y118-F286 HydrophobicContact CD2-CE1 3.52Å; Y118-F286 HydrophobicContact CD2-CZ 4.02Å; Y118-F286 HydrophobicContact CE1-CD1 4.36Å; Y118-F286 AromaticContact CE1-CE1 3.74Å; Y118-F286 HydrophobicContact CE1-CE1 3.74Å; Y118-F286 AromaticContact CE2-CD1 3.79Å; Y118-F286 HydrophobicContact CE2-CD1 3.79Å; Y118-F286 AromaticContact CE2-CE1 3.51Å; Y118-F286 HydrophobicContact CE2-CE1 3.51Å; Y118-F286 HydrophobicContact CE2-CZ 4.41Å; Y118-F286 AromaticContact CG-CE1 3.64Å; Y118-F286 HydrophobicContact CG-CE1 3.64Å; Y118-F286 HydrophobicContact CG-CZ 4.01Å; Y118-F286 AromaticContact CZ-CD1 3.86Å; Y118-F286 AromaticContact CZ-CE1 3.61Å
119C98.6Very high97.7Very high42 Ų4256.2 Ų56.228%0.28432%0.324SS..EExtended strand (participates in β ladder)trans-125.9122170.3177.40000108.7Y129C119-Y129 HydrophobicContact CB-CD1 3.92Å; C119-Y129 HydrophobicContact CB-CE1 3.97Å; C119-Y129 VanDerWaalsContact SG-CE1 3.51Å
120M98.1Very high97.7Very high13 Ų1352.5 Ų52.56%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-108.6137.9-177.3-63-68.3-178.600110.6C127 W128 Q282 A284 F286 F291 F293M120-C127 CarbonylContact O-C 3.58Å; M120-C127 WeakPolarHBondContact O-CA 3.33Å; M120-C127 WeakPolarHBondContact O-CB 3.35Å; M120-W128 HydrophobicContact CG-CE3 4.35Å; M120-W128 PolarHBondContact N-O 2.89Å; M120-W128 PolarHBondContact O-N 2.88Å; M120-Q282 HydrophobicContact SD-CB 4.34Å; M120-A284 HydrophobicContact CE-CB 3.4Å; M120-A284 VanDerWaalsContact CE-CB 3.4Å; M120-F286 HydrophobicContact CE-CE1 4.2Å; M120-F286 HydrophobicContact CE-CE2 4.2Å; M120-F286 HydrophobicContact CE-CZ 3.39Å; M120-F291 HydrophobicContact CB-CE1 4.24Å; M120-F291 HydrophobicContact CE-CD1 3.92Å; M120-F291 HydrophobicContact CE-CE1 4.04Å; M120-F291 HydrophobicContact CG-CD1 4.38Å; M120-F291 HydrophobicContact CG-CE1 3.57Å; M120-F291 HydrophobicContact CG-CZ 4.22Å; M120-F291 HydrophobicContact SD-CD1 4.36Å; M120-F291 HydrophobicContact SD-CE1 4.02Å; M120-F293 HydrophobicContact CB-CB 3.78Å; M120-F293 HydrophobicContact CB-CD1 4.36Å; M120-F293 HydrophobicContact CB-CD2 4.13Å; M120-F293 HydrophobicContact CB-CG 3.84Å; M120-F293 HydrophobicContact CG-CB 4.43Å
121G97.4Very high97.7Very high9 Ų948.2 Ų48.29%0.09327%0.268CS..EExtended strand (participates in β ladder)trans89.8-154.7-176.600000113.2Q282G121-Q282 VanDerWaalsContact N-CD 3.35Å; G121-Q282 PolarHBondContact O-NE2 2.94Å
122R96.9Very high97.7Very high101 Ų10146.2 Ų46.238%0.38126%0.258SS..  trans-92.7111.6-175-69.8-178.8-171169.911.9110.1N124 S125 D126 C127 L279 D280R122-N124 PolarHBondContact O-N 3.09Å; R122-S125 CarbonylContact O-C 3.58Å; R122-S125 VanDerWaalsContact O-C 3.25Å; R122-S125 PolarHBondContact O-N 2.98Å; R122-S125 VanDerWaalsContact O-O 3.07Å; R122-D126 PolarHBondContact N-O 3.27Å; R122-C127 WeakPolarHBondContact O-CB 3.27Å; R122-L279 PolarHBondContact NH2-O 2.91Å; R122-D280 WeakPolarHBondContact CD-OD2 3.35Å; R122-D280 WeakPolarHBondContact CG-OD2 3.2Å; R122-D280 IonicContact CZ-OD1 2.72Å; R122-D280 IonicContact CZ-OD2 2.84Å; R122-D280 VanDerWaalsContact CZ-OD2 3.27Å; R122-D280 IonicContact NE-OD1 2.99Å; R122-D280 PolarHBondContact NE-OD1 3.38Å; R122-D280 IonicContact NE-OD2 3.86Å; R122-D280 PolarHBondContact NE-OD2 2.77Å; R122-D280 IonicContact NH2-OD1 2.9Å; R122-D280 PolarHBondContact NH2-OD1 2.81Å; R122-D280 VanDerWaalsContact NH2-OD1 3.09Å; R122-D280 IonicContact NH2-OD2 3.8Å; R122-D280 PolarHBondContact NH2-OD2 3.34Å
123M95.8Very high97.6Very high154 Ų15445.5 Ų45.576%0.75926%0.255SS*.THydrogen-bonded Turntrans-56-28.1-179-65.1178.271.400113.9
124N95.5Very high97.4Very high150 Ų15043.3 Ų43.380%0.80224%0.236SC*.THydrogen-bonded Turntrans-93.59.7177.868.1-33.1000113.6R122R122-N124 PolarHBondContact O-N 3.09Å
125S97.6Very high96.9Very high54 Ų5443.2 Ų43.238%0.37823%0.234SC..SBendtrans-151-149.4-179.3-1680000109.4R122 C127R122-S125 CarbonylContact O-C 3.58Å; R122-S125 VanDerWaalsContact O-C 3.25Å; R122-S125 PolarHBondContact O-N 2.98Å; R122-S125 VanDerWaalsContact O-O 3.07Å; S125-C127 PolarHBondContact O-N 3.23Å; S125-C127 VanDerWaalsContact O-N 3.15Å
126D97.9Very high95.5Very high20 Ų2048.2 Ų48.211%0.10726%0.261CS..SBendtrans-64113.4177.5-67-61.8000110.7K86 R122 K250 V252K86-D126 VanDerWaalsContact CE-OD1 3.29Å; K86-D126 WeakPolarHBondContact CE-OD1 3.34Å; K86-D126 IonicContact NZ-OD1 3.19Å; K86-D126 PolarHBondContact NZ-OD1 3.3Å; R122-D126 PolarHBondContact N-O 3.27Å; D126-K250 WeakPolarHBondContact OD2-CE 3.41Å; D126-K250 IonicContact OD2-NZ 3.54Å; D126-V252 HydrophobicContact CB-CG1 4.13Å
127C98.5Very high93.9Very high1 Ų154.2 Ų54.21%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-140.1164.9178.457.70000111.3K86 N87 M120 R122 S125K86-C127 WeakPolarHBondContact CA-O 3.45Å; K86-C127 WeakPolarHBondContact CG-O 3.3Å; N87-C127 PolarHBondContact N-O 3.15Å; N87-C127 PolarHBondContact OD1-N 2.74Å; N87-C127 VanDerWaalsContact OD1-N 3.11Å; N87-C127 PolarHBondContact OD1-O 2.81Å; M120-C127 CarbonylContact O-C 3.58Å; M120-C127 WeakPolarHBondContact O-CA 3.33Å; M120-C127 WeakPolarHBondContact O-CB 3.35Å; R122-C127 WeakPolarHBondContact O-CB 3.27Å; S125-C127 PolarHBondContact O-N 3.23Å; S125-C127 VanDerWaalsContact O-N 3.15Å
128W98.8Very high91.9Very high1 Ų156.7 Ų56.70%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-132.5133.1-177.2-175.495.7000110.5S84 M120 L130 E149 T254 F256 F291 F293S84-W128 WeakPolarHBondContact OG-CZ2 3.27Å; M120-W128 HydrophobicContact CG-CE3 4.35Å; M120-W128 PolarHBondContact N-O 2.89Å; M120-W128 PolarHBondContact O-N 2.88Å; W128-L130 HydrophobicContact CE3-CB 4.17Å; W128-L130 HydrophobicContact CH2-CB 3.87Å; W128-L130 HydrophobicContact CH2-CD1 3.88Å; W128-L130 HydrophobicContact CH2-CD2 4.35Å; W128-L130 HydrophobicContact CH2-CG 4.24Å; W128-L130 HydrophobicContact CZ3-CB 3.45Å; W128-L130 VanDerWaalsContact CZ3-CB 3.45Å; W128-L130 HydrophobicContact CZ3-CD1 4.31Å; W128-L130 HydrophobicContact CZ3-CD2 4.13Å; W128-L130 HydrophobicContact CZ3-CG 4.16Å; W128-E149 PolarHBondContact NE1-OE2 2.74Å; W128-T254 HydrophobicContact CB-CG2 4.4Å; W128-T254 HydrophobicContact CD2-CG2 3.78Å; W128-T254 HydrophobicContact CE3-CG2 4.37Å; W128-T254 HydrophobicContact CG-CG2 3.77Å; W128-T254 HydrophobicContact CZ2-CG2 4.28Å; W128-F256 AromaticContact CH2-CE2 3.55Å; W128-F256 HydrophobicContact CH2-CE2 3.55Å; W128-F256 AromaticContact CH2-CZ 3.72Å; W128-F256 HydrophobicContact CH2-CZ 3.72Å; W128-F256 HydrophobicContact CZ2-CE2 4.15Å; W128-F256 HydrophobicContact CZ3-CE2 4.4Å; W128-F256 HydrophobicContact CZ3-CZ 4.35Å; W128-F291 HydrophobicContact CE3-CE2 4.25Å; W128-F291 AromaticContact CE3-CZ 3.73Å; W128-F291 HydrophobicContact CE3-CZ 3.73Å; W128-F291 AromaticContact CH2-CE2 3.8Å; W128-F291 HydrophobicContact CH2-CE2 3.8Å; W128-F291 HydrophobicContact CH2-CZ 4.13Å; W128-F291 HydrophobicContact CZ3-CE1 4.36Å; W128-F291 AromaticContact CZ3-CE2 3.58Å; W128-F291 HydrophobicContact CZ3-CE2 3.58Å; W128-F291 AromaticContact CZ3-CZ 3.46Å; W128-F291 HydrophobicContact CZ3-CZ 3.46Å; W128-F291 VanDerWaalsContact CZ3-CZ 3.46Å; W128-F293 HydrophobicContact CB-CD2 3.91Å; W128-F293 HydrophobicContact CB-CE2 3.84Å
129Y98.9Very high90.2Very high42 Ų4257.3 Ų57.317%0.16530%0.302CS..EExtended strand (participates in β ladder)trans-104.8141.8-175-60.1-67.1000110.6S84 R85 N87 F101 Y118 C119S84-Y129 WeakPolarHBondContact CA-O 3.28Å; S84-Y129 VanDerWaalsContact CB-O 3.23Å; S84-Y129 WeakPolarHBondContact CB-O 3.32Å; R85-Y129 HydrophobicContact CG-CD2 4.5Å; R85-Y129 PolarHBondContact N-O 2.97Å; R85-Y129 VanDerWaalsContact N-O 3.1Å; R85-Y129 PolarHBondContact O-N 2.85Å; N87-Y129 HydrophobicContact CB-CE2 4Å; F101-Y129 HydrophobicContact CB-CD1 3.92Å; F101-Y129 HydrophobicContact CB-CD2 4.33Å; F101-Y129 HydrophobicContact CB-CE1 4.1Å; F101-Y129 HydrophobicContact CB-CE2 4.49Å; F101-Y129 HydrophobicContact CB-CG 4.03Å; F101-Y129 AromaticContact CD1-CD1 3.27Å; F101-Y129 HydrophobicContact CD1-CD1 3.27Å; F101-Y129 AromaticContact CD1-CE1 3.99Å; F101-Y129 HydrophobicContact CD1-CE1 3.99Å; F101-Y129 AromaticContact CD1-CG 3.77Å; F101-Y129 HydrophobicContact CD1-CG 3.77Å; F101-Y129 HydrophobicContact CD2-CD1 4.36Å; F101-Y129 HydrophobicContact CD2-CG 4.01Å; F101-Y129 AromaticContact CE1-CD1 3.83Å; F101-Y129 HydrophobicContact CE1-CD1 3.83Å; F101-Y129 HydrophobicContact CE1-CG 4.23Å; F101-Y129 HydrophobicContact CE2-CG 4.47Å; F101-Y129 AromaticContact CG-CD1 3.6Å; F101-Y129 HydrophobicContact CG-CD1 3.6Å; F101-Y129 HydrophobicContact CG-CD2 4.39Å; F101-Y129 HydrophobicContact CG-CE1 4.26Å; F101-Y129 AromaticContact CG-CG 3.67Å; F101-Y129 HydrophobicContact CG-CG 3.67Å; Y118-Y129 WeakPolarHBondContact O-CA 3.43Å; C119-Y129 HydrophobicContact CB-CD1 3.92Å; C119-Y129 HydrophobicContact CB-CE1 3.97Å; C119-Y129 VanDerWaalsContact SG-CE1 3.51Å
130L98.8Very high88.1Confident0 Ų060.2 Ų60.20%032%0.319CS..EExtended strand (participates in β ladder)trans-136.7129.7177175.663.2000110.8F82 Y83 F101 A117 Y118 W128 F256 F286F82-L130 HydrophobicContact CB-CD1 4.34Å; F82-L130 HydrophobicContact CD1-CD1 4.21Å; Y83-L130 CarbonylContact O-C 3.49Å; Y83-L130 WeakPolarHBondContact O-CA 3.49Å; F101-L130 WeakPolarHBondContact CZ-O 3.23Å; A117-L130 CarbonylContact C-O 3.49Å; A117-L130 VanDerWaalsContact CA-O 3.27Å; A117-L130 WeakPolarHBondContact CA-O 3.44Å; Y118-L130 HydrophobicContact CD2-CD2 4.22Å; Y118-L130 HydrophobicContact CD2-CG 4.48Å; Y118-L130 PolarHBondContact N-O 2.81Å; Y118-L130 PolarHBondContact O-N 3.02Å; W128-L130 HydrophobicContact CE3-CB 4.17Å; W128-L130 HydrophobicContact CH2-CB 3.87Å; W128-L130 HydrophobicContact CH2-CD1 3.88Å; W128-L130 HydrophobicContact CH2-CD2 4.35Å; W128-L130 HydrophobicContact CH2-CG 4.24Å; W128-L130 HydrophobicContact CZ3-CB 3.45Å; W128-L130 VanDerWaalsContact CZ3-CB 3.45Å; W128-L130 HydrophobicContact CZ3-CD1 4.31Å; W128-L130 HydrophobicContact CZ3-CD2 4.13Å; W128-L130 HydrophobicContact CZ3-CG 4.16Å; L130-F256 HydrophobicContact CD1-CZ 4.19Å; L130-F256 HydrophobicContact CD2-CE1 4.3Å; L130-F256 HydrophobicContact CD2-CZ 3.89Å; L130-F286 HydrophobicContact CD2-CD2 3.84Å; L130-F286 HydrophobicContact CD2-CE1 4.22Å; L130-F286 HydrophobicContact CD2-CE2 3.34Å; L130-F286 HydrophobicContact CD2-CG 4.42Å; L130-F286 HydrophobicContact CD2-CZ 3.54Å
131Y98.8Very high86.5Confident1 Ų160.5 Ų60.50%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-113.2126.6159.5-174.4-76.3000108.6F81 Y83 I105 L108 N109 F112 G115 A116 A117 L133F81-Y131 HydrophobicContact CD1-CD1 4.23Å; F81-Y131 AromaticContact CE1-CD1 3.86Å; F81-Y131 HydrophobicContact CE1-CD1 3.86Å; F81-Y131 HydrophobicContact CE1-CE1 4.31Å; Y83-Y131 PolarHBondContact N-O 3.17Å; Y83-Y131 PolarHBondContact O-N 2.69Å; I105-Y131 HydrophobicContact CG1-CD2 4.16Å; I105-Y131 HydrophobicContact CG2-CE2 4.28Å; L108-Y131 HydrophobicContact CB-CD1 4.19Å; L108-Y131 HydrophobicContact CB-CD2 4.15Å; L108-Y131 HydrophobicContact CB-CE1 3.76Å; L108-Y131 HydrophobicContact CB-CE2 3.72Å; L108-Y131 HydrophobicContact CB-CG 4.35Å; L108-Y131 VanDerWaalsContact CB-CZ 3.48Å; L108-Y131 HydrophobicContact CD1-CD1 3.67Å; L108-Y131 HydrophobicContact CD1-CD2 3.92Å; L108-Y131 HydrophobicContact CD1-CE1 4.12Å; L108-Y131 HydrophobicContact CD1-CE2 4.36Å; L108-Y131 HydrophobicContact CD1-CG 3.53Å; L108-Y131 HydrophobicContact CG-CD1 4.4Å; L108-Y131 HydrophobicContact CG-CE1 4.38Å; N109-Y131 VanDerWaalsContact OD1-CE2 3.32Å; N109-Y131 WeakPolarHBondContact OD1-CE2 3.31Å; N109-Y131 PolarHBondContact OD1-OH 2.6Å; F112-Y131 HydrophobicContact CD2-CE1 4.37Å; G115-Y131 VanDerWaalsContact CA-CZ 3.42Å; G115-Y131 WeakPolarHBondContact CA-OH 3.24Å; A116-Y131 WeakPolarHBondContact O-CA 3.27Å; A117-Y131 HydrophobicContact CB-CD2 4.16Å; Y131-L133 HydrophobicContact CE1-CD2 3.9Å
132T97.9Very high85.1Confident7 Ų764.7 Ų64.74%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-132.3174.1175-168.20000110.3F81 F82 A116 Y118F81-T132 VanDerWaalsContact O-CA 3.32Å; F81-T132 WeakPolarHBondContact O-CA 3.39Å; F81-T132 WeakPolarHBondContact O-CB 3.44Å; F81-T132 PolarHBondContact O-OG1 3.45Å; F82-T132 WeakPolarHBondContact CD1-OG1 3.17Å; F82-T132 WeakPolarHBondContact CE1-OG1 3.1Å; A116-T132 HydrophobicContact CB-CG2 4.37Å; A116-T132 PolarHBondContact N-O 2.77Å; A116-T132 PolarHBondContact O-N 3.41Å; Y118-T132 HydrophobicContact CE2-CG2 4.09Å
133L95.6Very high84.5Confident4 Ų464.7 Ų64.72%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-106.2128.8177.7-63.4-178.8000110.4I78 F81 F112 N114 Y131 F135 N287I78-L133 HydrophobicContact CD1-CD1 4.45Å; I78-L133 HydrophobicContact CG2-CD1 4.31Å; F81-L133 HydrophobicContact CB-CB 4.44Å; F81-L133 HydrophobicContact CB-CD1 3.66Å; F81-L133 HydrophobicContact CB-CG 3.78Å; F81-L133 HydrophobicContact CD1-CG 4.13Å; F81-L133 HydrophobicContact CG-CD1 4.11Å; F81-L133 HydrophobicContact CG-CG 4.15Å; F112-L133 HydrophobicContact CB-CD2 3.52Å; F112-L133 HydrophobicContact CD1-CD1 4.02Å; F112-L133 HydrophobicContact CD1-CD2 4.41Å; F112-L133 HydrophobicContact CD2-CD1 4.37Å; F112-L133 HydrophobicContact CD2-CD2 3.87Å; F112-L133 HydrophobicContact CE1-CD1 4.23Å; F112-L133 HydrophobicContact CG-CD1 4.1Å; F112-L133 HydrophobicContact CG-CD2 3.7Å; F112-L133 HydrophobicContact CZ-CD1 4.47Å; N114-L133 WeakPolarHBondContact O-CA 3.44Å; Y131-L133 HydrophobicContact CE1-CD2 3.9Å; L133-F135 HydrophobicContact CB-CD2 4.31Å; L133-F135 HydrophobicContact CB-CE2 3.65Å; L133-F135 HydrophobicContact CB-CZ 3.84Å; L133-F135 HydrophobicContact CD1-CE2 4.44Å; L133-F135 HydrophobicContact CD1-CZ 3.95Å; L133-N287 PolarHBondContact O-ND2 2.85Å
134D92.4Very high84.2Confident84 Ų8461.2 Ų61.245%0.44934%0.341SS..  trans-85.3114.1175.1-172.19.7000110N114 N287N114-D134 WeakPolarHBondContact CB-O 3.34Å; N114-D134 PolarHBondContact ND2-O 3.38Å; N114-D134 PolarHBondContact O-N 3.32Å; D134-N287 PolarHBondContact OD1-OD1 3.45Å
135F85.9Confident84.1Confident46 Ų4654.4 Ų54.420%0.20231%0.305CS..  trans-105.9118.7179.3-68.7-73.2000109I78 Q79 L133 E137I78-F135 HydrophobicContact CB-CZ 4.47Å; I78-F135 HydrophobicContact CG2-CZ 4.22Å; Q79-F135 WeakPolarHBondContact O-CE2 3.3Å; L133-F135 HydrophobicContact CB-CD2 4.31Å; L133-F135 HydrophobicContact CB-CE2 3.65Å; L133-F135 HydrophobicContact CB-CZ 3.84Å; L133-F135 HydrophobicContact CD1-CE2 4.44Å; L133-F135 HydrophobicContact CD1-CZ 3.95Å; F135-E137 PolarHBondContact O-N 3.19Å
136P68.3Low84Confident134 Ų13452.3 Ų52.387%0.8729%0.289SS*.SBendtrans-67.5-19.2-172.823.5-32.8000114.3
137E64.1Low83.9Confident144 Ų14451.8 Ų51.867%0.67329%0.287SS*.SBendtrans-99.3123.1171.6-69.4179.217600109.3F135 R139F135-E137 PolarHBondContact O-N 3.19Å; E137-R139 VanDerWaalsContact C-N 3.3Å; E137-R139 PolarHBondContact O-N 2.68Å
138S54.8Low83.9Confident94 Ų9451.8 Ų51.866%0.65729%0.286SS*.  trans-58.593.6169.1128.30000108.5V140S138-V140 VanDerWaalsContact C-N 3.28Å; S138-V140 PolarHBondContact O-N 3.36Å
139R62.6Low83.9Confident103 Ų10352 Ų5239%0.38929%0.288SS..  trans-81.384.2173-71.7-176.1178.3-178.51.3106.9I78 E137 I141I78-R139 PolarHBondContact O-NH1 2.84Å; E137-R139 VanDerWaalsContact C-N 3.3Å; E137-R139 PolarHBondContact O-N 2.68Å; R139-I141 PolarHBondContact O-N 3.35Å
140V54.4Low83.9Confident103 Ų10350 Ų5062%0.62428%0.28SS*.  trans-44106.5-179.5-1790000109.8S138 S142S138-V140 VanDerWaalsContact C-N 3.28Å; S138-V140 PolarHBondContact O-N 3.36Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.23Å
141I64.6Low83.9Confident18 Ų1850.2 Ų50.29%0.09228%0.281CS..  trans-73.394.5172.3-54.8179.3000106.4R139 Q143 N258 S260 D288 Y289R139-I141 PolarHBondContact O-N 3.35Å; I141-Q143 WeakPolarHBondContact CG2-O 3.5Å; I141-Q143 PolarHBondContact O-N 3.15Å; I141-N258 WeakPolarHBondContact CG2-ND2 3.33Å; I141-S260 PolarHBondContact O-OG 2.93Å; I141-D288 HydrophobicContact CD1-CB 3.83Å; I141-D288 HydrophobicContact CG1-CB 4.04Å; I141-Y289 HydrophobicContact CD1-CD2 4.3Å; I141-Y289 HydrophobicContact CD1-CE2 3.38Å
142S69.6Low83.9Confident98 Ų9850.1 Ų50.169%0.68528%0.281SS*.  trans-68.8-17.2-178.158.80000113.4V140V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.23Å
143Q83.8Confident84Confident101 Ų10150.1 Ų50.147%0.47228%0.28SS..SBendtrans-94.8131.1-177.4-55.3-166.92.700110.4I141 D145 N258 S260I141-Q143 WeakPolarHBondContact CG2-O 3.5Å; I141-Q143 PolarHBondContact O-N 3.15Å; Q143-D145 PolarHBondContact O-N 3.41Å; Q143-N258 PolarHBondContact O-ND2 3.16Å; Q143-S260 VanDerWaalsContact C-OG 3.27Å; Q143-S260 PolarHBondContact O-OG 2.82Å
144P90Very high84.1Confident80 Ų8055.2 Ų55.252%0.51930%0.304SS..  trans-63.1125.4178.126.3-33.8000110.3S260P144-S260 VanDerWaalsContact CA-OG 3.31Å; P144-S260 WeakPolarHBondContact CA-OG 3.49Å; P144-S260 WeakPolarHBondContact CB-O 3.17Å
145D92.7Very high84.4Confident7 Ų751.7 Ų51.74%0.03729%0.285CS..  trans-142.4140.2-179.8-172.159000110.7R47 Q143 N258 Y289R47-D145 IonicContact NH1-OD1 3.5Å; R47-D145 PolarHBondContact NH1-OD1 3.06Å; Q143-D145 PolarHBondContact O-N 3.41Å; D145-N258 PolarHBondContact N-ND2 2.99Å; D145-N258 PolarHBondContact N-OD1 3.06Å; D145-N258 PolarHBondContact O-N 3.25Å; D145-N258 PolarHBondContact O-OD1 3.04Å; D145-Y289 HydrophobicContact CB-CE1 4.43Å; D145-Y289 WeakPolarHBondContact OD2-CE1 3.35Å; D145-Y289 PolarHBondContact OD2-OH 2.99Å
146Q94.8Very high85Confident10 Ų1052 Ų525%0.04729%0.289CS..EExtended strand (participates in β ladder)trans-156.2145.8179.460.1-72-54.500109.1N229 Y235 F256 V257 S261Q146-N229 PolarHBondContact NE2-O 2.96Å; Q146-N229 WeakPolarHBondContact O-CA 3.44Å; Q146-N229 WeakPolarHBondContact O-CB 3.32Å; Q146-Y235 WeakPolarHBondContact CG-OH 3.34Å; Q146-F256 CarbonylContact C-O 3.55Å; Q146-F256 WeakPolarHBondContact CA-O 3.3Å; Q146-F256 WeakPolarHBondContact CB-O 3.02Å; Q146-V257 HydrophobicContact CB-CG2 4.17Å; Q146-S261 PolarHBondContact OE1-OG 2.84Å
147T97.2Very high86.4Confident10 Ų1050.1 Ų50.16%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-138.3122.5177.8-57.80000108.9E227 T228 L255 F256T147-E227 HydrophobicContact CG2-CG 4.16Å; T147-T228 WeakPolarHBondContact CA-O 3.47Å; T147-L255 WeakPolarHBondContact O-CA 3.47Å; T147-F256 PolarHBondContact N-O 2.83Å; T147-F256 PolarHBondContact O-N 3.24Å
148L98.2Very high88.1Confident0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-105.1130.8171.8173.470.9000108.9I150 E227 T228 Y235 L238 I239 T254 L255L148-I150 HydrophobicContact CD1-CG1 4.42Å; L148-I150 HydrophobicContact CD2-CD1 4.12Å; L148-I150 HydrophobicContact CD2-CG1 4.15Å; L148-I150 HydrophobicContact CG-CG1 4.19Å; L148-E227 CarbonylContact O-C 3.48Å; L148-E227 VanDerWaalsContact O-CA 3.31Å; L148-E227 WeakPolarHBondContact O-CA 3.49Å; L148-T228 HydrophobicContact CB-CG2 4.31Å; L148-T228 PolarHBondContact N-O 2.72Å; L148-T228 PolarHBondContact O-N 2.95Å; L148-Y235 HydrophobicContact CB-CD1 4.21Å; L148-Y235 HydrophobicContact CB-CE1 4.05Å; L148-Y235 HydrophobicContact CD2-CD1 3.49Å; L148-Y235 VanDerWaalsContact CD2-CD1 3.49Å; L148-Y235 HydrophobicContact CD2-CE1 4.08Å; L148-Y235 HydrophobicContact CD2-CG 4.02Å; L148-Y235 HydrophobicContact CG-CD1 4.36Å; L148-L238 HydrophobicContact CD2-CD2 4.14Å; L148-I239 HydrophobicContact CD1-CD1 4.37Å; L148-I239 HydrophobicContact CD1-CG1 4.47Å; L148-I239 HydrophobicContact CD2-CG1 4.06Å; L148-T254 CarbonylContact C-O 3.54Å; L148-T254 WeakPolarHBondContact CA-O 3.25Å; L148-L255 HydrophobicContact CB-CD1 4.18Å; L148-L255 HydrophobicContact CD1-CB 4.35Å
149E98.8Very high90.2Very high7 Ų742.8 Ų42.83%0.03325%0.245CC..EExtended strand (participates in β ladder)trans-112.5146.5159-47.9178.182.500111.1K51 W128 L151 F226 E227 T253 T254K51-E149 IonicContact NZ-OE1 2.69Å; K51-E149 PolarHBondContact NZ-OE1 3.4Å; W128-E149 PolarHBondContact NE1-OE2 2.74Å; E149-L151 HydrophobicContact CB-CD2 4.09Å; E149-L151 HydrophobicContact CB-CG 4.28Å; E149-F226 CarbonylContact C-O 3.57Å; E149-F226 VanDerWaalsContact CA-O 3.24Å; E149-F226 WeakPolarHBondContact CA-O 3.39Å; E149-E227 HydrophobicContact CG-CB 4.33Å; E149-E227 HydrophobicContact CG-CG 4.09Å; E149-T253 VanDerWaalsContact O-CA 3.23Å; E149-T253 WeakPolarHBondContact O-CA 3.43Å; E149-T254 VanDerWaalsContact CB-OG1 3.22Å; E149-T254 WeakPolarHBondContact CB-OG1 3.38Å; E149-T254 WeakPolarHBondContact CG-OG1 3.26Å; E149-T254 PolarHBondContact N-O 2.96Å; E149-T254 PolarHBondContact O-N 2.78Å; E149-T254 PolarHBondContact OE2-OG1 3.16Å
150I98.8Very high91.9Very high0 Ų038.1 Ų38.10%023%0.228CC..EExtended strand (participates in β ladder)trans-127.9112.4169.2-51.4171.5000106.7L148 M152 F226 I239 V242 F251 V252 T253L148-I150 HydrophobicContact CD1-CG1 4.42Å; L148-I150 HydrophobicContact CD2-CD1 4.12Å; L148-I150 HydrophobicContact CD2-CG1 4.15Å; L148-I150 HydrophobicContact CG-CG1 4.19Å; I150-M152 HydrophobicContact CG2-CE 4.25Å; I150-M152 HydrophobicContact CG2-CG 3.95Å; I150-M152 HydrophobicContact CG2-SD 4.14Å; I150-F226 HydrophobicContact CB-CB 4.27Å; I150-F226 HydrophobicContact CB-CD1 4.44Å; I150-F226 HydrophobicContact CD1-CD1 3.89Å; I150-F226 HydrophobicContact CD1-CE1 4.36Å; I150-F226 HydrophobicContact CG1-CD1 4.11Å; I150-F226 PolarHBondContact N-O 2.84Å; I150-F226 PolarHBondContact O-N 3.35Å; I150-I239 HydrophobicContact CD1-CB 4.19Å; I150-I239 HydrophobicContact CD1-CG1 3.84Å; I150-I239 HydrophobicContact CD1-CG2 4.36Å; I150-I239 HydrophobicContact CG1-CG1 4.31Å; I150-V242 HydrophobicContact CB-CG1 4.5Å; I150-V242 HydrophobicContact CD1-CB 3.75Å; I150-V242 HydrophobicContact CD1-CG1 3.84Å; I150-V242 HydrophobicContact CD1-CG2 3.94Å; I150-V242 HydrophobicContact CG2-CG1 4.4Å; I150-F251 HydrophobicContact CG2-CD2 3.98Å; I150-V252 WeakPolarHBondContact CA-O 3.24Å; I150-T253 HydrophobicContact CG1-CG2 4.2Å; I150-T253 HydrophobicContact CG2-CG2 4.41Å
151L98.8Very high94Very high3 Ų337.2 Ų37.22%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-114.6113.1-172.7-51179.1000108.9K86 E149 F251 V252K86-L151 HydrophobicContact CB-CD1 3.85Å; K86-L151 HydrophobicContact CD-CB 4.29Å; K86-L151 HydrophobicContact CD-CD1 4.35Å; E149-L151 HydrophobicContact CB-CD2 4.09Å; E149-L151 HydrophobicContact CB-CG 4.28Å; L151-F251 CarbonylContact O-C 3.54Å; L151-F251 WeakPolarHBondContact O-CA 3.47Å; L151-F251 WeakPolarHBondContact O-CB 3.47Å; L151-V252 HydrophobicContact CB-CG2 3.78Å; L151-V252 HydrophobicContact CD1-CG2 4.11Å; L151-V252 HydrophobicContact CG-CG2 4.28Å; L151-V252 PolarHBondContact N-O 3.4Å; L151-V252 PolarHBondContact O-N 2.89Å
152M98.9Very high95.6Very high0 Ų039.3 Ų39.30%023%0.229CC..EExtended strand (participates in β ladder)trans-115.2145.1-163-68.5171.5-79.700111.3I150 L155 Y223 V224 F226 V242 F246 P248 F251I150-M152 HydrophobicContact CG2-CE 4.25Å; I150-M152 HydrophobicContact CG2-CG 3.95Å; I150-M152 HydrophobicContact CG2-SD 4.14Å; M152-L155 HydrophobicContact CB-CD2 4.4Å; M152-Y223 WeakPolarHBondContact O-CA 3.31Å; M152-Y223 VanDerWaalsContact O-CD2 3.25Å; M152-Y223 WeakPolarHBondContact O-CD2 3.25Å; M152-V224 HydrophobicContact CB-CB 4.24Å; M152-V224 WeakPolarHBondContact CB-O 3.36Å; M152-V224 HydrophobicContact CE-CB 3.83Å; M152-V224 HydrophobicContact CE-CG1 3.45Å; M152-V224 VanDerWaalsContact CE-CG1 3.45Å; M152-V224 PolarHBondContact N-O 2.89Å; M152-V224 PolarHBondContact O-N 2.95Å; M152-V224 VanDerWaalsContact O-N 3.09Å; M152-F226 HydrophobicContact CE-CB 4.32Å; M152-V242 HydrophobicContact CE-CG1 3.74Å; M152-V242 HydrophobicContact SD-CG1 4.09Å; M152-F246 HydrophobicContact CE-CB 4.36Å; M152-F246 HydrophobicContact CE-CD2 3.7Å; M152-F246 HydrophobicContact CE-CE2 4.32Å; M152-F246 HydrophobicContact CE-CG 4.2Å; M152-F246 HydrophobicContact SD-CB 3.74Å; M152-F246 HydrophobicContact SD-CD2 4.03Å; M152-F246 HydrophobicContact SD-CG 4.21Å; M152-P248 HydrophobicContact CB-CB 3.91Å; M152-P248 HydrophobicContact CB-CG 4.37Å; M152-P248 HydrophobicContact CG-CB 4.06Å; M152-P248 HydrophobicContact CG-CG 3.96Å; M152-P248 HydrophobicContact SD-CG 4.1Å; M152-F251 HydrophobicContact CB-CB 4.33Å; M152-F251 HydrophobicContact CG-CB 3.71Å
153S98.8Very high97Very high6 Ų634.6 Ų34.64%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-144164.8176.5-53.20000110.6S222 G249 K250S153-S222 WeakPolarHBondContact CA-O 3.5Å; S153-G249 PolarHBondContact O-N 3.45Å; S153-K250 PolarHBondContact N-O 3Å; S153-K250 PolarHBondContact O-N 3.15Å; S153-K250 VanDerWaalsContact O-O 3.14Å
154E98.4Very high97.7Very high111 Ų11133.1 Ų33.152%0.51919%0.187SC..SBendtrans59.251.8179.4-57.3166.7-160.300110.7G249 K250E154-G249 WeakPolarHBondContact O-CA 3.39Å; E154-G249 PolarHBondContact O-N 2.91Å; E154-K250 WeakPolarHBondContact OE1-CD 3.41Å; E154-K250 WeakPolarHBondContact OE1-CE 3.32Å; E154-K250 IonicContact OE1-NZ 3.89Å; E154-K250 PolarHBondContact OE1-NZ 2.55Å
155L98.8Very high98Very high10 Ų1034.1 Ų34.15%0.05219%0.186CC..  trans-75.5156.5-173.1-64.2105.4000112.3M152 P157 M160 S222 V224 F246M152-L155 HydrophobicContact CB-CD2 4.4Å; L155-P157 WeakPolarHBondContact O-CD 3.42Å; L155-M160 HydrophobicContact CB-CE 3.85Å; L155-M160 HydrophobicContact CB-CG 3.71Å; L155-M160 HydrophobicContact CB-SD 3.66Å; L155-M160 HydrophobicContact CD1-SD 4.18Å; L155-M160 HydrophobicContact CD2-CE 3.59Å; L155-M160 HydrophobicContact CD2-SD 4Å; L155-M160 HydrophobicContact CG-CE 4.27Å; L155-M160 HydrophobicContact CG-SD 4.15Å; L155-S222 VanDerWaalsContact CD1-C 3.45Å; L155-S222 PolarHBondContact N-OG 2.87Å; L155-S222 VanDerWaalsContact N-OG 3.1Å; L155-V224 HydrophobicContact CD1-CG2 4.01Å; L155-V224 HydrophobicContact CD2-CB 3.88Å; L155-V224 HydrophobicContact CD2-CG2 3.33Å; L155-V224 HydrophobicContact CG-CG2 4.32Å; L155-F246 HydrophobicContact CD2-CB 3.84Å
156D98.6Very high98.3Very high54 Ų5438 Ų3829%0.28920%0.203SC..  trans-61.6121.1176.7-172.2-52.7000110.5A158 V159 M160 K247D156-A158 PolarHBondContact O-N 2.87Å; D156-A158 WeakPolarHBondContact OD1-CB 3.49Å; D156-A158 PolarHBondContact OD1-N 3.26Å; D156-V159 HydrophobicContact CB-CB 4.19Å; D156-V159 HydrophobicContact CB-CG2 3.86Å; D156-V159 WeakPolarHBondContact O-CB 3.47Å; D156-V159 PolarHBondContact O-N 2.85Å; D156-M160 PolarHBondContact O-N 2.99Å; D156-K247 HydrophobicContact CB-CB 3.76Å; D156-K247 HydrophobicContact CB-CD 4.39Å; D156-K247 PolarHBondContact N-O 2.86Å
157P98.6Very high98.4Very high93 Ų9345.8 Ų45.860%0.60424%0.244SC*.Hα-helixtrans-59-31.9-176.8-27.235.8000114.2L155 V159 M160 D161L155-P157 WeakPolarHBondContact O-CD 3.42Å; P157-V159 VanDerWaalsContact C-N 3.31Å; P157-M160 PolarHBondContact O-N 2.87Å; P157-D161 PolarHBondContact O-N 3.19Å
158A98.6Very high98.3Very high73 Ų7349.1 Ų49.160%0.60328%0.281SS*.Hα-helixtrans-71.1-30.6178.100000111.8D156D156-A158 PolarHBondContact O-N 2.87Å; D156-A158 WeakPolarHBondContact OD1-CB 3.49Å; D156-A158 PolarHBondContact OD1-N 3.26Å
159V98.8Very high98.3Very high11 Ų1152.1 Ų52.17%0.06730%0.299CS..Hα-helixtrans-72-42.6170.9179.40000110.1D156 P157 D161 Q162 F163 V245 K247D156-V159 HydrophobicContact CB-CB 4.19Å; D156-V159 HydrophobicContact CB-CG2 3.86Å; D156-V159 WeakPolarHBondContact O-CB 3.47Å; D156-V159 PolarHBondContact O-N 2.85Å; P157-V159 VanDerWaalsContact C-N 3.31Å; V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.88Å; V159-Q162 WeakPolarHBondContact O-CB 3.28Å; V159-Q162 WeakPolarHBondContact O-CG 3.38Å; V159-Q162 PolarHBondContact O-N 2.72Å; V159-F163 HydrophobicContact CG1-CE2 4.33Å; V159-F163 WeakPolarHBondContact O-CD2 3.36Å; V159-F163 WeakPolarHBondContact O-CE2 3.35Å; V159-V245 WeakPolarHBondContact CG1-O 3.28Å; V159-K247 HydrophobicContact CG2-CB 4.36Å; V159-K247 HydrophobicContact CG2-CD 3.9Å; V159-K247 HydrophobicContact CG2-CG 4.12Å
160M98.8Very high98.3Very high5 Ų555.1 Ų55.13%0.02532%0.318CS..Hα-helixtrans-65-31.2179.8-65.9-5991.400113.5L155 D156 P157 Q162 F163 I215 P217 V224 F246L155-M160 HydrophobicContact CB-CE 3.85Å; L155-M160 HydrophobicContact CB-CG 3.71Å; L155-M160 HydrophobicContact CB-SD 3.66Å; L155-M160 HydrophobicContact CD1-SD 4.18Å; L155-M160 HydrophobicContact CD2-CE 3.59Å; L155-M160 HydrophobicContact CD2-SD 4Å; L155-M160 HydrophobicContact CG-CE 4.27Å; L155-M160 HydrophobicContact CG-SD 4.15Å; D156-M160 PolarHBondContact O-N 2.99Å; P157-M160 PolarHBondContact O-N 2.87Å; M160-Q162 PolarHBondContact O-N 2.96Å; M160-Q162 VanDerWaalsContact O-N 3.1Å; M160-F163 HydrophobicContact CE-CD2 4.05Å; M160-F163 HydrophobicContact CE-CE2 3.94Å; M160-F163 PolarHBondContact O-N 3.41Å; M160-I215 HydrophobicContact SD-CG2 4.19Å; M160-P217 HydrophobicContact CB-CB 3.97Å; M160-P217 HydrophobicContact SD-CB 4.21Å; M160-V224 HydrophobicContact CE-CG2 4.24Å; M160-V224 HydrophobicContact SD-CG2 4.35Å; M160-F246 HydrophobicContact CE-CD1 4.37Å
161D98.6Very high98.2Very high85 Ų8556.1 Ų56.146%0.45533%0.326SS..G310 helixtrans-58.5-22.1175-177.168.7000113.5P157 V159 F163 K166P157-D161 PolarHBondContact O-N 3.19Å; V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.88Å; D161-F163 PolarHBondContact O-N 2.75Å; D161-K166 WeakPolarHBondContact O-CE 3.38Å; D161-K166 PolarHBondContact O-NZ 2.74Å; D161-K166 IonicContact OD1-NZ 3.86Å; D161-K166 IonicContact OD2-NZ 2.67Å; D161-K166 PolarHBondContact OD2-NZ 2.9Å
162Q98.7Very high98.2Very high61 Ų6163.8 Ų63.829%0.28536%0.359SS..G310 helixtrans-67-21.3175-57.1-177.3-96.800112.9V159 M160 V174V159-Q162 WeakPolarHBondContact O-CB 3.28Å; V159-Q162 WeakPolarHBondContact O-CG 3.38Å; V159-Q162 PolarHBondContact O-N 2.72Å; M160-Q162 PolarHBondContact O-N 2.96Å; M160-Q162 VanDerWaalsContact O-N 3.1Å; Q162-V174 WeakPolarHBondContact O-CG1 3.38Å
163F98.4Very high98.2Very high0 Ų065.7 Ų65.70%037%0.369CS..G310 helixtrans-105.719.5-173.6-52.2-74.1000113.3V159 M160 D161 V174 I180 G198 Y199 I215 P217 F246V159-F163 HydrophobicContact CG1-CE2 4.33Å; V159-F163 WeakPolarHBondContact O-CD2 3.36Å; V159-F163 WeakPolarHBondContact O-CE2 3.35Å; M160-F163 HydrophobicContact CE-CD2 4.05Å; M160-F163 HydrophobicContact CE-CE2 3.94Å; M160-F163 PolarHBondContact O-N 3.41Å; D161-F163 PolarHBondContact O-N 2.75Å; F163-V174 HydrophobicContact CD1-CG1 3.58Å; F163-V174 HydrophobicContact CE1-CG1 3.6Å; F163-I180 HydrophobicContact CE1-CD1 3.7Å; F163-I180 HydrophobicContact CZ-CD1 3.88Å; F163-G198 PolarHBondContact O-N 3.42Å; F163-Y199 HydrophobicContact CD1-CD1 4.32Å; F163-Y199 HydrophobicContact CD1-CD2 4.3Å; F163-Y199 AromaticContact CD1-CG 3.87Å; F163-Y199 HydrophobicContact CD1-CG 3.87Å; F163-Y199 HydrophobicContact CE1-CD1 4.35Å; F163-Y199 HydrophobicContact CE1-CG 4.28Å; F163-I215 HydrophobicContact CB-CG2 4.05Å; F163-I215 HydrophobicContact CD1-CD1 3.52Å; F163-I215 HydrophobicContact CD2-CD1 3.99Å; F163-I215 HydrophobicContact CD2-CG2 3.86Å; F163-I215 HydrophobicContact CE1-CD1 3.29Å; F163-I215 HydrophobicContact CE2-CD1 3.78Å; F163-I215 HydrophobicContact CE2-CG2 4.48Å; F163-I215 HydrophobicContact CG-CD1 3.87Å; F163-I215 HydrophobicContact CG-CG2 3.88Å; F163-I215 HydrophobicContact CZ-CD1 3.43Å; F163-I215 VanDerWaalsContact CZ-CD1 3.43Å; F163-P217 HydrophobicContact CB-CB 4.19Å; F163-P217 HydrophobicContact CB-CG 4.35Å; F163-F246 HydrophobicContact CE2-CE1 4.31Å; F163-F246 HydrophobicContact CZ-CE1 4.01Å
164Y98.3Very high98.2Very high69 Ų6965.7 Ų65.727%0.27137%0.369SS..BIsolated β-bridgetrans-95.9142.2163.7-78-101.4000109.8K166 M193 C197 P217 E218Y164-K166 PolarHBondContact O-N 2.9Å; Y164-M193 WeakPolarHBondContact O-CE 3.19Å; Y164-C197 HydrophobicContact CD1-CB 3.32Å; Y164-C197 HydrophobicContact CD2-CB 4.09Å; Y164-C197 HydrophobicContact CE1-CB 3.37Å; Y164-C197 VanDerWaalsContact CE1-SG 3.58Å; Y164-C197 HydrophobicContact CE2-CB 4.16Å; Y164-C197 HydrophobicContact CG-CB 3.67Å; Y164-P217 HydrophobicContact CD2-CB 4.29Å; Y164-P217 HydrophobicContact CD2-CG 4.23Å; Y164-P217 HydrophobicContact CE2-CB 3.76Å; Y164-P217 HydrophobicContact CE2-CG 3.79Å; Y164-E218 WeakPolarHBondContact OH-CA 3.49Å
165M97.4Very high98.2Very high102 Ų10260.7 Ų60.750%0.50235%0.346SS..  trans-63.3132.9176.6-69.7-170.173.300110.6M193 F194 N195 P196M165-M193 HydrophobicContact CG-CB 4.35Å; M165-M193 HydrophobicContact CG-CE 4.3Å; M165-F194 WeakPolarHBondContact CG-O 3.31Å; M165-N195 VanDerWaalsContact SD-CA 3.58Å; M165-N195 HydrophobicContact SD-CB 3.63Å; M165-P196 PolarHBondContact N-O 2.95Å
166K97.5Very high98.2Very high89 Ų8964.5 Ų64.539%0.38736%0.36SS..  trans-132.2140.8179.5-69169.7-179.7171.10109D161 Y164 G168 V169D161-K166 WeakPolarHBondContact O-CE 3.38Å; D161-K166 PolarHBondContact O-NZ 2.74Å; D161-K166 IonicContact OD1-NZ 3.86Å; D161-K166 IonicContact OD2-NZ 2.67Å; D161-K166 PolarHBondContact OD2-NZ 2.9Å; Y164-K166 PolarHBondContact O-N 2.9Å; K166-G168 PolarHBondContact O-N 2.87Å; K166-V169 HydrophobicContact CB-CB 4.08Å; K166-V169 HydrophobicContact CB-CG2 3.78Å; K166-V169 PolarHBondContact O-N 2.73Å; K166-V169 VanDerWaalsContact O-N 3.07Å
167D97.1Very high98.2Very high172 Ų17267.9 Ų67.992%0.9237%0.374SS*.THydrogen-bonded Turntrans-56.6129.5179.8-71.3-30.7000111V169D167-V169 PolarHBondContact O-N 2.97Å
168G96.4Very high98.2Very high81 Ų8164 Ų6484%0.83535%0.349SS*.THydrogen-bonded Turntrans75.11.1179.900000115.7K166K166-G168 PolarHBondContact O-N 2.87Å
169V98.1Very high98.2Very high62 Ų6261.6 Ų61.638%0.37633%0.332SS..  trans-102.2119.1178.1-175.80000110.1K166 D167 D173 V174K166-V169 HydrophobicContact CB-CB 4.08Å; K166-V169 HydrophobicContact CB-CG2 3.78Å; K166-V169 PolarHBondContact O-N 2.73Å; K166-V169 VanDerWaalsContact O-N 3.07Å; D167-V169 PolarHBondContact O-N 2.97Å; V169-D173 HydrophobicContact CG1-CB 4.18Å; V169-V174 HydrophobicContact CG1-CG2 3.71Å
170T98Very high98.2Very high71 Ų7161.1 Ų61.144%0.43633%0.329SS..  trans-91.6162.1179.173.50000112.1K172 D173 V174T170-K172 PolarHBondContact O-N 3.17Å; T170-K172 PolarHBondContact OG1-N 2.92Å; T170-D173 WeakPolarHBondContact CB-OD2 3.25Å; T170-D173 PolarHBondContact N-OD2 3.25Å; T170-D173 VanDerWaalsContact N-OD2 3.08Å; T170-D173 WeakPolarHBondContact O-CB 3.18Å; T170-D173 PolarHBondContact O-N 3.06Å; T170-D173 VanDerWaalsContact OG1-CG 3.24Å; T170-D173 PolarHBondContact OG1-N 2.86Å; T170-D173 PolarHBondContact OG1-OD2 3.27Å; T170-V174 PolarHBondContact O-N 2.83Å
171A97.8Very high98.2Very high20 Ų2066.2 Ų66.217%0.16535%0.348CS..Hα-helixtrans-54.2-37.7172.700000112.1D173 V174 T175 A191 M193A171-D173 VanDerWaalsContact C-N 3.33Å; A171-D173 PolarHBondContact O-N 3.32Å; A171-V174 PolarHBondContact O-N 3.06Å; A171-T175 PolarHBondContact O-N 3.33Å; A171-T175 PolarHBondContact O-OG1 3.05Å; A171-A191 HydrophobicContact CB-CB 4.33Å; A171-A191 WeakPolarHBondContact CB-O 3.37Å; A171-M193 HydrophobicContact CB-CB 4.49Å; A171-M193 HydrophobicContact CB-CG 3.82Å
172K98.1Very high98.2Very high165 Ų16566 Ų6672%0.71735%0.346SS*.Hα-helixtrans-65.5-33.9177.2-174.3178.8-179.7-179.50112.9T170 R176T170-K172 PolarHBondContact O-N 3.17Å; T170-K172 PolarHBondContact OG1-N 2.92Å; K172-R176 WeakPolarHBondContact O-CB 3.35Å; K172-R176 PolarHBondContact O-N 3.48Å
173D98.5Very high98.2Very high39 Ų3963.5 Ų63.521%0.20934%0.335CS..Hα-helixtrans-69.6-46.8174.9-58.6-47000110.2V169 T170 A171 T175 R176 E177V169-D173 HydrophobicContact CG1-CB 4.18Å; T170-D173 WeakPolarHBondContact CB-OD2 3.25Å; T170-D173 PolarHBondContact N-OD2 3.25Å; T170-D173 VanDerWaalsContact N-OD2 3.08Å; T170-D173 WeakPolarHBondContact O-CB 3.18Å; T170-D173 PolarHBondContact O-N 3.06Å; T170-D173 VanDerWaalsContact OG1-CG 3.24Å; T170-D173 PolarHBondContact OG1-N 2.86Å; T170-D173 PolarHBondContact OG1-OD2 3.27Å; A171-D173 VanDerWaalsContact C-N 3.33Å; A171-D173 PolarHBondContact O-N 3.32Å; D173-T175 PolarHBondContact O-N 3.19Å; D173-R176 PolarHBondContact O-N 2.78Å; D173-R176 VanDerWaalsContact O-N 3.12Å; D173-R176 IonicContact OD1-CZ 3.26Å; D173-R176 VanDerWaalsContact OD1-CZ 3.26Å; D173-R176 IonicContact OD1-NH1 2.87Å; D173-R176 PolarHBondContact OD1-NH1 2.97Å; D173-R176 IonicContact OD1-NH2 2.74Å; D173-R176 PolarHBondContact OD1-NH2 2.78Å; D173-E177 WeakPolarHBondContact O-CB 2.95Å; D173-E177 WeakPolarHBondContact O-CG 3.25Å; D173-E177 PolarHBondContact O-N 3.3Å
174V98.6Very high98.2Very high7 Ų763.7 Ų63.74%0.04234%0.336CS..Hα-helixtrans-57.3-47.6174.4178.60000111.4Q162 F163 V169 T170 A171 R176 E177 S178 M193 Y199Q162-V174 WeakPolarHBondContact O-CG1 3.38Å; F163-V174 HydrophobicContact CD1-CG1 3.58Å; F163-V174 HydrophobicContact CE1-CG1 3.6Å; V169-V174 HydrophobicContact CG1-CG2 3.71Å; T170-V174 PolarHBondContact O-N 2.83Å; A171-V174 PolarHBondContact O-N 3.06Å; V174-R176 PolarHBondContact O-N 2.89Å; V174-E177 PolarHBondContact O-N 3.18Å; V174-S178 VanDerWaalsContact O-CB 3.23Å; V174-S178 WeakPolarHBondContact O-CB 3.33Å; V174-S178 PolarHBondContact O-N 3.19Å; V174-S178 PolarHBondContact O-OG 3.05Å; V174-M193 HydrophobicContact CB-SD 4.29Å; V174-M193 HydrophobicContact CG1-SD 4.17Å; V174-M193 HydrophobicContact CG2-CE 4.36Å; V174-M193 HydrophobicContact CG2-SD 3.99Å; V174-Y199 HydrophobicContact CG1-CD2 4.29Å; V174-Y199 HydrophobicContact CG1-CE2 4.39Å
175T98.7Very high98.2Very high6 Ų664.5 Ų64.54%0.03735%0.35CS..Hα-helixtrans-55.9-39.5177.4-50.80000112.1A171 D173 S178 I180 R181 I189 Y199A171-T175 PolarHBondContact O-N 3.33Å; A171-T175 PolarHBondContact O-OG1 3.05Å; D173-T175 PolarHBondContact O-N 3.19Å; T175-S178 PolarHBondContact O-OG 2.98Å; T175-I180 HydrophobicContact CG2-CB 4.28Å; T175-I180 HydrophobicContact CG2-CG2 3.94Å; T175-I180 PolarHBondContact O-N 3.44Å; T175-R181 HydrophobicContact CG2-CB 4.1Å; T175-R181 PolarHBondContact O-N 3.05Å; T175-I189 HydrophobicContact CG2-CD1 4.04Å; T175-I189 HydrophobicContact CG2-CG2 4.01Å; T175-Y199 WeakPolarHBondContact CB-OH 3.29Å; T175-Y199 PolarHBondContact OG1-OH 3.24Å
176R98.6Very high98.2Very high90 Ų9063.1 Ų63.134%0.3436%0.362SS..Hα-helixtrans-75.9-48.6-178.8177.1-178.767.6-112.31.1111.6K172 D173 V174 G179K172-R176 WeakPolarHBondContact O-CB 3.35Å; K172-R176 PolarHBondContact O-N 3.48Å; D173-R176 PolarHBondContact O-N 2.78Å; D173-R176 VanDerWaalsContact O-N 3.12Å; D173-R176 IonicContact OD1-CZ 3.26Å; D173-R176 VanDerWaalsContact OD1-CZ 3.26Å; D173-R176 IonicContact OD1-NH1 2.87Å; D173-R176 PolarHBondContact OD1-NH1 2.97Å; D173-R176 IonicContact OD1-NH2 2.74Å; D173-R176 PolarHBondContact OD1-NH2 2.78Å; V174-R176 PolarHBondContact O-N 2.89Å; R176-G179 PolarHBondContact O-N 2.83Å
177E98.4Very high98.2Very high124 Ų12460.1 Ų60.158%0.57935%0.352SS*.Hα-helixtrans-80.6-26.4-169.2-69171-157.200113.1D173 V174 G179D173-E177 WeakPolarHBondContact O-CB 2.95Å; D173-E177 WeakPolarHBondContact O-CG 3.25Å; D173-E177 PolarHBondContact O-N 3.3Å; V174-E177 PolarHBondContact O-N 3.18Å; E177-G179 PolarHBondContact O-N 2.98Å
178S98.6Very high98.2Very high12 Ų1257.2 Ų57.28%0.08434%0.34CS..THydrogen-bonded Turntrans-71.1-14.4168.360.60000113.5V174 T175 I180 V245V174-S178 VanDerWaalsContact O-CB 3.23Å; V174-S178 WeakPolarHBondContact O-CB 3.33Å; V174-S178 PolarHBondContact O-N 3.19Å; V174-S178 PolarHBondContact O-OG 3.05Å; T175-S178 PolarHBondContact O-OG 2.98Å; S178-I180 VanDerWaalsContact C-N 3.29Å; S178-I180 WeakPolarHBondContact OG-CD1 3.36Å; S178-I180 VanDerWaalsContact OG-CG1 3.3Å; S178-I180 WeakPolarHBondContact OG-CG1 3.15Å; S178-I180 PolarHBondContact OG-N 3.42Å; S178-V245 WeakPolarHBondContact O-CG1 3.48Å
179G98.6Very high98.3Very high23 Ų2355.6 Ų55.624%0.23731%0.312CS..SBendtrans82.9-1.8-172.800000114.4R176 E177 R181 D182R176-G179 PolarHBondContact O-N 2.83Å; E177-G179 PolarHBondContact O-N 2.98Å; G179-R181 VanDerWaalsContact C-N 3.26Å; G179-R181 PolarHBondContact O-N 3.17Å; G179-D182 PolarHBondContact O-N 3.44Å; G179-D182 VanDerWaalsContact O-N 3.14Å
180I98.8Very high98.2Very high0 Ų055.8 Ų55.80%031%0.311CS..G310 helixtrans-53.5-43.9177.5-74.1172.8000111.5F163 T175 S178 D182 L183 Y199 M201 W211 I213 I215 V245 F246F163-I180 HydrophobicContact CE1-CD1 3.7Å; F163-I180 HydrophobicContact CZ-CD1 3.88Å; T175-I180 HydrophobicContact CG2-CB 4.28Å; T175-I180 HydrophobicContact CG2-CG2 3.94Å; T175-I180 PolarHBondContact O-N 3.44Å; S178-I180 VanDerWaalsContact C-N 3.29Å; S178-I180 WeakPolarHBondContact OG-CD1 3.36Å; S178-I180 VanDerWaalsContact OG-CG1 3.3Å; S178-I180 WeakPolarHBondContact OG-CG1 3.15Å; S178-I180 PolarHBondContact OG-N 3.42Å; I180-D182 PolarHBondContact O-N 3.44Å; I180-L183 WeakPolarHBondContact O-CB 3.1Å; I180-L183 WeakPolarHBondContact O-CG 3.49Å; I180-L183 PolarHBondContact O-N 3.1Å; I180-L183 VanDerWaalsContact O-N 3.13Å; I180-Y199 HydrophobicContact CD1-CD1 4.38Å; I180-Y199 HydrophobicContact CD1-CE1 3.78Å; I180-M201 HydrophobicContact CG2-CG 4.32Å; I180-W211 HydrophobicContact CG2-CH2 4.16Å; I180-W211 HydrophobicContact CG2-CZ3 4Å; I180-W211 VanDerWaalsContact O-CH2 3.29Å; I180-W211 WeakPolarHBondContact O-CH2 3.36Å; I180-I213 HydrophobicContact CG1-CD1 4.31Å; I180-I213 HydrophobicContact CG2-CD1 3.86Å; I180-I215 HydrophobicContact CD1-CD1 4.1Å; I180-V245 HydrophobicContact CG1-CG1 4.39Å; I180-F246 HydrophobicContact CD1-CE1 4.13Å; I180-F246 HydrophobicContact CD1-CZ 3.85Å; I180-F246 HydrophobicContact CG1-CE1 4.35Å; I180-F246 HydrophobicContact CG1-CZ 3.8Å
181R98.5Very high98.2Very high112 Ų11253.5 Ų53.542%0.42330%0.299SS..G310 helixtrans-50.6-36.7-178.8-173-166.167-167-10.9112.9T175 G179 I189T175-R181 HydrophobicContact CG2-CB 4.1Å; T175-R181 PolarHBondContact O-N 3.05Å; G179-R181 VanDerWaalsContact C-N 3.26Å; G179-R181 PolarHBondContact O-N 3.17Å; R181-I189 HydrophobicContact CB-CD1 4.4Å; R181-I189 HydrophobicContact CG-CD1 4.17Å
182D98.4Very high98.2Very high80 Ų8055 Ų5543%0.42831%0.306SS..G310 helixtrans-97.52.2-169.4-59.8-30.8000112.8G179 I180G179-D182 PolarHBondContact O-N 3.44Å; G179-D182 VanDerWaalsContact O-N 3.14Å; I180-D182 PolarHBondContact O-N 3.44Å
183L98.6Very high98.1Very high9 Ų948.5 Ų48.55%0.04728%0.279CS..THydrogen-bonded Turntrans-60.7-47.2173.9-72.6174.6000111.7I180 W211 I213 F226 K241 V242 V245 F246I180-L183 WeakPolarHBondContact O-CB 3.1Å; I180-L183 WeakPolarHBondContact O-CG 3.49Å; I180-L183 PolarHBondContact O-N 3.1Å; I180-L183 VanDerWaalsContact O-N 3.13Å; L183-W211 HydrophobicContact CB-CH2 4.48Å; L183-W211 HydrophobicContact CB-CZ3 4.27Å; L183-W211 HydrophobicContact CD1-CZ3 4.37Å; L183-I213 HydrophobicContact CD1-CD1 3.8Å; L183-F226 HydrophobicContact CD1-CD2 4.42Å; L183-F226 HydrophobicContact CD1-CE2 4.26Å; L183-K241 HydrophobicContact CD2-CB 4.08Å; L183-V242 HydrophobicContact CD1-CG2 4.3Å; L183-V242 HydrophobicContact CD2-CG2 3.91Å; L183-V245 HydrophobicContact CD2-CG2 3.93Å; L183-F246 HydrophobicContact CD1-CE2 4.37Å
184I98.5Very high97.9Very high4 Ų448.7 Ų48.72%0.02128%0.278CS..SBendtrans-128.888.9174.2-55.1-176000108.9S187 K205 W211 F226 T228 L230 L238I184-S187 WeakPolarHBondContact O-CB 3.35Å; I184-S187 PolarHBondContact O-OG 2.98Å; I184-K205 HydrophobicContact CG2-CD 3.93Å; I184-W211 HydrophobicContact CB-CD2 4.29Å; I184-W211 HydrophobicContact CB-CZ2 4.12Å; I184-W211 HydrophobicContact CD1-CB 3.84Å; I184-W211 HydrophobicContact CD1-CD2 3.97Å; I184-W211 HydrophobicContact CD1-CG 3.65Å; I184-W211 HydrophobicContact CG1-CD2 4.29Å; I184-W211 HydrophobicContact CG1-CG 4.44Å; I184-F226 HydrophobicContact CD1-CZ 4.07Å; I184-T228 HydrophobicContact CD1-CG2 4.41Å; I184-L230 HydrophobicContact CD1-CB 4.22Å; I184-L230 HydrophobicContact CD1-CD2 3.93Å; I184-L230 HydrophobicContact CG1-CD2 4.13Å; I184-L230 HydrophobicContact CG2-CD1 4.43Å; I184-L230 HydrophobicContact CG2-CD2 4.19Å; I184-L238 HydrophobicContact CG1-CD1 4.38Å
185P98.1Very high97.6Very high86 Ų8655 Ų5556%0.55831%0.311SS*.THydrogen-bonded Turntrans-60.1151.6-177-25.435.1000113.8S187P185-S187 VanDerWaalsContact C-N 3.31Å
186G97.3Very high97.5Very high74 Ų7458.9 Ų58.976%0.76334%0.337SS*.THydrogen-bonded Turntrans76.117.3179.500000114.2
187S97.8Very high97.4Very high25 Ų2555.5 Ų55.518%0.17533%0.327CS..  trans-89.1143.7175.5-56.70000111.6I184 P185 M204 W211I184-S187 WeakPolarHBondContact O-CB 3.35Å; I184-S187 PolarHBondContact O-OG 2.98Å; P185-S187 VanDerWaalsContact C-N 3.31Å; S187-M204 CarbonylContact C-O 3.58Å; S187-M204 VanDerWaalsContact CA-O 3.28Å; S187-M204 WeakPolarHBondContact CA-O 3.4Å; S187-W211 PolarHBondContact OG-NE1 3.33Å
188V97.9Very high97.3Very high112 Ų11249.9 Ų49.968%0.67930%0.302SS*.EExtended strand (participates in β ladder)trans-79.2122.8159.5-179.60000107.1G203 M204V188-G203 CarbonylContact O-C 3.34Å; V188-G203 VanDerWaalsContact O-CA 3.31Å; V188-G203 WeakPolarHBondContact O-CA 3.22Å; V188-M204 PolarHBondContact N-O 2.98Å; V188-M204 PolarHBondContact O-N 2.9Å
189I97.9Very high97.3Very high47 Ų4749.3 Ų49.324%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-114130.3-176-65.1172.5000109.6T175 R181 A191 M201 N202 W211T175-I189 HydrophobicContact CG2-CD1 4.04Å; T175-I189 HydrophobicContact CG2-CG2 4.01Å; R181-I189 HydrophobicContact CB-CD1 4.4Å; R181-I189 HydrophobicContact CG-CD1 4.17Å; I189-A191 HydrophobicContact CG2-CB 4.12Å; I189-M201 HydrophobicContact CB-CE 4.16Å; I189-M201 HydrophobicContact CD1-CE 4.11Å; I189-M201 HydrophobicContact CG1-CE 3.79Å; I189-M201 HydrophobicContact CG2-CB 4.41Å; I189-M201 HydrophobicContact CG2-CE 3.49Å; I189-M201 VanDerWaalsContact CG2-CE 3.49Å; I189-N202 WeakPolarHBondContact CA-O 3.33Å; I189-W211 HydrophobicContact CD1-CH2 3.85Å; I189-W211 HydrophobicContact CD1-CZ2 3.74Å; I189-W211 HydrophobicContact CG1-CH2 4.39Å; I189-W211 HydrophobicContact CG1-CZ2 3.94Å
190D97.2Very high97.3Very high66 Ų6648.8 Ų48.835%0.35329%0.291SS..EExtended strand (participates in β ladder)trans-114.9122.3167-176.216.7000108.4P36 M201 N202P36-D190 WeakPolarHBondContact CG-OD2 3.47Å; D190-M201 CarbonylContact O-C 3.28Å; D190-M201 WeakPolarHBondContact O-CA 3.44Å; D190-M201 WeakPolarHBondContact O-CB 3.23Å; D190-N202 PolarHBondContact N-O 3.29Å; D190-N202 PolarHBondContact O-N 3.4Å
191A97.4Very high97.3Very high23 Ų2349 Ų4919%0.1929%0.292CS..EExtended strand (participates in β ladder)trans-138.7141.3-16900000111.1A171 I189 Y199 S200 M201A171-A191 HydrophobicContact CB-CB 4.33Å; A171-A191 WeakPolarHBondContact CB-O 3.37Å; I189-A191 HydrophobicContact CG2-CB 4.12Å; A191-Y199 HydrophobicContact CB-CE2 3.88Å; A191-Y199 WeakPolarHBondContact CB-OH 3.48Å; A191-S200 WeakPolarHBondContact CA-O 3.33Å; A191-M201 HydrophobicContact CB-CB 3.79Å
192T96.8Very high97.3Very high51 Ų5143.9 Ų43.931%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-132.2138.2-179.3-62.10000110.2F194 Y199 S200T192-F194 HydrophobicContact CG2-CE1 4.21Å; T192-F194 HydrophobicContact CG2-CE2 4.42Å; T192-F194 HydrophobicContact CG2-CZ 4.12Å; T192-Y199 WeakPolarHBondContact O-CA 3.31Å; T192-S200 PolarHBondContact N-O 2.93Å; T192-S200 PolarHBondContact O-N 3.39Å
193M97.2Very high97.2Very high29 Ų2940.1 Ų40.114%0.14325%0.253CS..EExtended strand (participates in β ladder)trans-99137.4166.9-72.4-74.4-65.200108.7Y164 M165 A171 V174 Y199Y164-M193 WeakPolarHBondContact O-CE 3.19Å; M165-M193 HydrophobicContact CG-CB 4.35Å; M165-M193 HydrophobicContact CG-CE 4.3Å; A171-M193 HydrophobicContact CB-CB 4.49Å; A171-M193 HydrophobicContact CB-CG 3.82Å; V174-M193 HydrophobicContact CB-SD 4.29Å; V174-M193 HydrophobicContact CG1-SD 4.17Å; V174-M193 HydrophobicContact CG2-CE 4.36Å; V174-M193 HydrophobicContact CG2-SD 3.99Å; M193-Y199 HydrophobicContact CG-CD2 4.27Å; M193-Y199 HydrophobicContact SD-CD2 3.64Å; M193-Y199 HydrophobicContact SD-CG 4.31Å
194F94.4Very high97.1Very high43 Ų4341.7 Ų41.719%0.18926%0.261CS..PPolyproline II helixtrans-101.7152.8178.7-61.9-85.2000111.1E38 M165 T192 P196 C197 G198 S200E38-F194 HydrophobicContact CB-CE1 4.38Å; E38-F194 HydrophobicContact CB-CZ 4.43Å; E38-F194 HydrophobicContact CG-CD1 3.86Å; E38-F194 HydrophobicContact CG-CE1 3.47Å; E38-F194 VanDerWaalsContact CG-CE1 3.47Å; E38-F194 HydrophobicContact CG-CZ 3.95Å; M165-F194 WeakPolarHBondContact CG-O 3.31Å; T192-F194 HydrophobicContact CG2-CE1 4.21Å; T192-F194 HydrophobicContact CG2-CE2 4.42Å; T192-F194 HydrophobicContact CG2-CZ 4.12Å; F194-P196 CarbonylContact O-C 3.57Å; F194-P196 VanDerWaalsContact O-C 3.28Å; F194-C197 CarbonylContact O-C 3.52Å; F194-C197 WeakPolarHBondContact O-CA 3.39Å; F194-C197 PolarHBondContact O-N 3.35Å; F194-C197 VanDerWaalsContact O-N 3.08Å; F194-G198 PolarHBondContact N-O 3.18Å; F194-S200 WeakPolarHBondContact CE2-OG 3.31Å
195N92.2Very high97Very high138 Ų13844.4 Ų44.474%0.73827%0.272SS*.SBendtrans-98.7128.6-177.6-179.569.6000111.1M165M165-N195 VanDerWaalsContact SD-CA 3.58Å; M165-N195 HydrophobicContact SD-CB 3.63Å
196P96Very high96.8Very high89 Ų8946.7 Ų46.758%0.57829%0.291SS*.SBendcis-83.3-16.4-0.433.7-35.7000114.1M165 F194M165-P196 PolarHBondContact N-O 2.95Å; F194-P196 CarbonylContact O-C 3.57Å; F194-P196 VanDerWaalsContact O-C 3.28Å
197C96.8Very high96.6Very high18 Ų1848 Ų4812%0.12228%0.28CS..BIsolated β-bridgetrans-147.5166.3-179.762.60000111.6Y164 F194 P217Y164-C197 HydrophobicContact CD1-CB 3.32Å; Y164-C197 HydrophobicContact CD2-CB 4.09Å; Y164-C197 HydrophobicContact CE1-CB 3.37Å; Y164-C197 VanDerWaalsContact CE1-SG 3.58Å; Y164-C197 HydrophobicContact CE2-CB 4.16Å; Y164-C197 HydrophobicContact CG-CB 3.67Å; F194-C197 CarbonylContact O-C 3.52Å; F194-C197 WeakPolarHBondContact O-CA 3.39Å; F194-C197 PolarHBondContact O-N 3.35Å; F194-C197 VanDerWaalsContact O-N 3.08Å; C197-P217 HydrophobicContact CB-CG 3.71Å
198G96.9Very high96.4Very high7 Ų748.7 Ų48.77%0.07229%0.291CS..  trans115.3149.4-176.700000111.3F163 F194 I215F163-G198 PolarHBondContact O-N 3.42Å; F194-G198 PolarHBondContact N-O 3.18Å; G198-I215 WeakPolarHBondContact CA-O 3.33Å
199Y98.4Very high96.3Very high0 Ų043.9 Ų43.90%026%0.262CS..EExtended strand (participates in β ladder)trans-146.3136.7-179.9172-84.2000110.1F163 V174 T175 I180 A191 T192 M193 M201 I215F163-Y199 HydrophobicContact CD1-CD1 4.32Å; F163-Y199 HydrophobicContact CD1-CD2 4.3Å; F163-Y199 AromaticContact CD1-CG 3.87Å; F163-Y199 HydrophobicContact CD1-CG 3.87Å; F163-Y199 HydrophobicContact CE1-CD1 4.35Å; F163-Y199 HydrophobicContact CE1-CG 4.28Å; V174-Y199 HydrophobicContact CG1-CD2 4.29Å; V174-Y199 HydrophobicContact CG1-CE2 4.39Å; T175-Y199 WeakPolarHBondContact CB-OH 3.29Å; T175-Y199 PolarHBondContact OG1-OH 3.24Å; I180-Y199 HydrophobicContact CD1-CD1 4.38Å; I180-Y199 HydrophobicContact CD1-CE1 3.78Å; A191-Y199 HydrophobicContact CB-CE2 3.88Å; A191-Y199 WeakPolarHBondContact CB-OH 3.48Å; T192-Y199 WeakPolarHBondContact O-CA 3.31Å; M193-Y199 HydrophobicContact CG-CD2 4.27Å; M193-Y199 HydrophobicContact SD-CD2 3.64Å; M193-Y199 HydrophobicContact SD-CG 4.31Å; Y199-M201 HydrophobicContact CE1-CB 3.75Å; Y199-M201 HydrophobicContact CE1-CG 3.51Å; Y199-M201 WeakPolarHBondContact OH-CB 3.39Å; Y199-I215 HydrophobicContact CD1-CD1 3.66Å; Y199-I215 HydrophobicContact CD1-CG1 4.11Å; Y199-I215 HydrophobicContact CE1-CD1 4.42Å; Y199-I215 HydrophobicContact CG-CD1 4.27Å; Y199-I215 PolarHBondContact N-O 3.14Å; Y199-I215 PolarHBondContact O-N 2.86Å
200S98.1Very high96.4Very high12 Ų1241.7 Ų41.78%0.08425%0.25CS..EExtended strand (participates in β ladder)trans-133.5145.4170.1-630000110.2A191 T192 F194 I213 H214A191-S200 WeakPolarHBondContact CA-O 3.33Å; T192-S200 PolarHBondContact N-O 2.93Å; T192-S200 PolarHBondContact O-N 3.39Å; F194-S200 WeakPolarHBondContact CE2-OG 3.31Å; S200-I213 CarbonylContact C-O 3.56Å; S200-I213 VanDerWaalsContact CA-O 3.3Å; S200-I213 WeakPolarHBondContact CA-O 3.35Å; S200-H214 PolarHBondContact OG-ND1 3.26Å
201M98.1Very high96.4Very high3 Ų338.5 Ų38.52%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-144.5155.1172.766.478.959.200113I180 I189 D190 A191 Y199 W211 T212 I213I180-M201 HydrophobicContact CG2-CG 4.32Å; I189-M201 HydrophobicContact CB-CE 4.16Å; I189-M201 HydrophobicContact CD1-CE 4.11Å; I189-M201 HydrophobicContact CG1-CE 3.79Å; I189-M201 HydrophobicContact CG2-CB 4.41Å; I189-M201 HydrophobicContact CG2-CE 3.49Å; I189-M201 VanDerWaalsContact CG2-CE 3.49Å; D190-M201 CarbonylContact O-C 3.28Å; D190-M201 WeakPolarHBondContact O-CA 3.44Å; D190-M201 WeakPolarHBondContact O-CB 3.23Å; A191-M201 HydrophobicContact CB-CB 3.79Å; Y199-M201 HydrophobicContact CE1-CB 3.75Å; Y199-M201 HydrophobicContact CE1-CG 3.51Å; Y199-M201 WeakPolarHBondContact OH-CB 3.39Å; M201-W211 HydrophobicContact CE-CD2 4.16Å; M201-W211 HydrophobicContact CE-CE3 3.88Å; M201-W211 HydrophobicContact CE-CH2 3.5Å; M201-W211 HydrophobicContact CE-CZ2 3.81Å; M201-W211 HydrophobicContact CE-CZ3 3.55Å; M201-W211 HydrophobicContact SD-CD2 4.37Å; M201-W211 HydrophobicContact SD-CE3 3.73Å; M201-W211 HydrophobicContact SD-CH2 4.26Å; M201-W211 HydrophobicContact SD-CZ3 3.67Å; M201-T212 VanDerWaalsContact O-CA 3.26Å; M201-T212 WeakPolarHBondContact O-CA 3.22Å; M201-T212 WeakPolarHBondContact O-CB 3.37Å; M201-T212 PolarHBondContact O-OG1 2.86Å; M201-I213 HydrophobicContact CG-CB 3.95Å; M201-I213 PolarHBondContact N-O 2.8Å; M201-I213 PolarHBondContact O-N 3.42Å; M201-I213 VanDerWaalsContact O-N 3.14Å; M201-I213 HydrophobicContact SD-CB 4.03Å; M201-I213 HydrophobicContact SD-CD1 4.16Å; M201-I213 HydrophobicContact SD-CG1 4.01Å
202N98.3Very high96.5Very high6 Ų637.5 Ų37.53%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-122.4134.3167.1-68.3-41.2000108.7T34 S40 F42 I189 D190 W211 T212T34-N202 HydrophobicContact CG2-CB 4Å; S40-N202 WeakPolarHBondContact CB-OD1 3.36Å; S40-N202 PolarHBondContact OG-ND2 3.21Å; S40-N202 PolarHBondContact OG-OD1 3Å; F42-N202 HydrophobicContact CE1-CB 4.17Å; F42-N202 HydrophobicContact CZ-CB 3.99Å; F42-N202 WeakPolarHBondContact CZ-OD1 3.47Å; I189-N202 WeakPolarHBondContact CA-O 3.33Å; D190-N202 PolarHBondContact N-O 3.29Å; D190-N202 PolarHBondContact O-N 3.4Å; N202-W211 CarbonylContact C-O 3.6Å; N202-W211 WeakPolarHBondContact CA-O 3.45Å; N202-T212 VanDerWaalsContact OD1-CB 3.28Å; N202-T212 WeakPolarHBondContact OD1-CB 3.46Å; N202-T212 PolarHBondContact OD1-OG1 3.12Å
203G97.6Very high96.6Very high0 Ų035 Ų350%021%0.21CC..EExtended strand (participates in β ladder)trans-120.1138173.600000110.6V188 Y210 W211V188-G203 CarbonylContact O-C 3.34Å; V188-G203 VanDerWaalsContact O-CA 3.31Å; V188-G203 WeakPolarHBondContact O-CA 3.22Å; G203-Y210 CarbonylContact O-C 3.56Å; G203-Y210 VanDerWaalsContact O-CA 3.28Å; G203-Y210 WeakPolarHBondContact O-CA 3.31Å; G203-W211 PolarHBondContact N-O 3.41Å; G203-W211 VanDerWaalsContact O-CD1 3.25Å; G203-W211 PolarHBondContact O-N 3.49Å
204M97.1Very high96.6Very high42 Ų4234.1 Ų34.121%0.20721%0.205CC..EExtended strand (participates in β ladder)trans-134.3147.2177.1-68-172.9-70.100111.7L32 T34 F42 S187 V188 T209L32-M204 HydrophobicContact CB-SD 4.02Å; L32-M204 HydrophobicContact CD2-CG 4.21Å; L32-M204 HydrophobicContact CD2-SD 3.8Å; L32-M204 HydrophobicContact CG-SD 4.02Å; T34-M204 HydrophobicContact CG2-CE 3.56Å; T34-M204 HydrophobicContact CG2-CG 4.2Å; T34-M204 HydrophobicContact CG2-SD 3.57Å; T34-M204 VanDerWaalsContact CG2-SD 3.57Å; F42-M204 HydrophobicContact CE1-CG 4.48Å; S187-M204 CarbonylContact C-O 3.58Å; S187-M204 VanDerWaalsContact CA-O 3.28Å; S187-M204 WeakPolarHBondContact CA-O 3.4Å; V188-M204 PolarHBondContact N-O 2.98Å; V188-M204 PolarHBondContact O-N 2.9Å; M204-T209 CarbonylContact C-O 3.57Å; M204-T209 WeakPolarHBondContact CA-O 3.38Å
205K96.3Very high96.8Very high61 Ų6132.4 Ų32.427%0.26520%0.198SC..  trans-116.2161.1170.2-58.617971.7-158.60110.5I184 D207 G208 T209I184-K205 HydrophobicContact CG2-CD 3.93Å; K205-D207 WeakPolarHBondContact CB-OD1 3.46Å; K205-D207 IonicContact NZ-OD2 3.4Å; K205-D207 PolarHBondContact NZ-OD2 3.26Å; K205-D207 PolarHBondContact O-N 2.78Å; K205-D207 VanDerWaalsContact O-N 3.16Å; K205-G208 PolarHBondContact O-N 3.06Å; K205-T209 HydrophobicContact CD-CG2 4.21Å; K205-T209 PolarHBondContact N-O 3.48Å
206S94.1Very high97.1Very high135 Ų13526.4 Ų26.494%0.94417%0.166SC*.THydrogen-bonded Turntrans-62.9-19.4179.158.70000114.4G208S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact O-N 3.31Å
207D92.9Very high97.2Very high102 Ų10222.3 Ų22.355%0.54514%0.14SC..THydrogen-bonded Turntrans-85.15.2179.461.814000113.7K205 T209K205-D207 WeakPolarHBondContact CB-OD1 3.46Å; K205-D207 IonicContact NZ-OD2 3.4Å; K205-D207 PolarHBondContact NZ-OD2 3.26Å; K205-D207 PolarHBondContact O-N 2.78Å; K205-D207 VanDerWaalsContact O-N 3.16Å; D207-T209 WeakPolarHBondContact OD1-CB 3.41Å; D207-T209 PolarHBondContact OD1-N 3.35Å; D207-T209 PolarHBondContact OD1-OG1 3.39Å
208G92.8Very high97.3Very high39 Ų3922.6 Ų22.640%0.40214%0.139SC..SBendtrans85.15.7-177.100000114.3K205 S206 N229K205-G208 PolarHBondContact O-N 3.06Å; S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact O-N 3.31Å; G208-N229 PolarHBondContact O-ND2 3.23Å
209T96.9Very high97.3Very high11 Ų1126.2 Ų26.27%0.06716%0.162CC..  trans-65.1133.5167.8-56.40000110M204 K205 D207 N229 L230M204-T209 CarbonylContact C-O 3.57Å; M204-T209 WeakPolarHBondContact CA-O 3.38Å; K205-T209 HydrophobicContact CD-CG2 4.21Å; K205-T209 PolarHBondContact N-O 3.48Å; D207-T209 WeakPolarHBondContact OD1-CB 3.41Å; D207-T209 PolarHBondContact OD1-N 3.35Å; D207-T209 PolarHBondContact OD1-OG1 3.39Å; T209-N229 VanDerWaalsContact CA-OD1 3.29Å; T209-N229 WeakPolarHBondContact CA-OD1 3.49Å; T209-L230 HydrophobicContact CG2-CB 3.75Å; T209-L230 HydrophobicContact CG2-CD1 3.89Å; T209-L230 HydrophobicContact CG2-CG 4.43Å
210Y98Very high97.2Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-120.8158.9165.780.4-89.3000110.6L32 F42 R47 I49 G203 E227 T228 N229L32-Y210 HydrophobicContact CD2-CG 4.42Å; F42-Y210 HydrophobicContact CD1-CD2 4.32Å; F42-Y210 HydrophobicContact CD1-CG 4.26Å; F42-Y210 HydrophobicContact CD2-CD2 4.12Å; F42-Y210 HydrophobicContact CD2-CE2 4.43Å; F42-Y210 AromaticContact CE1-CD2 3.98Å; F42-Y210 HydrophobicContact CE1-CD2 3.98Å; F42-Y210 HydrophobicContact CE1-CG 4.14Å; F42-Y210 AromaticContact CE2-CD2 3.78Å; F42-Y210 HydrophobicContact CE2-CD2 3.78Å; F42-Y210 HydrophobicContact CE2-CE2 4.23Å; F42-Y210 HydrophobicContact CG-CD2 4.37Å; F42-Y210 AromaticContact CZ-CD2 3.7Å; F42-Y210 HydrophobicContact CZ-CD2 3.7Å; F42-Y210 HydrophobicContact CZ-CG 4.32Å; R47-Y210 VanDerWaalsContact NH2-CD1 3.34Å; R47-Y210 VanDerWaalsContact NH2-CE1 3.27Å; I49-Y210 HydrophobicContact CD1-CD1 4.44Å; I49-Y210 HydrophobicContact CD1-CE1 3.58Å; I49-Y210 HydrophobicContact CD1-CE2 4.22Å; I49-Y210 VanDerWaalsContact CD1-CZ 3.48Å; I49-Y210 WeakPolarHBondContact CD1-OH 3.48Å; G203-Y210 CarbonylContact O-C 3.56Å; G203-Y210 VanDerWaalsContact O-CA 3.28Å; G203-Y210 WeakPolarHBondContact O-CA 3.31Å; Y210-E227 HydrophobicContact CE2-CG 4.15Å; Y210-E227 PolarHBondContact OH-OE1 3.1Å; Y210-T228 WeakPolarHBondContact O-CA 3.36Å; Y210-T228 WeakPolarHBondContact O-CB 3.39Å; Y210-T228 PolarHBondContact O-OG1 2.89Å; Y210-N229 HydrophobicContact CD1-CB 4Å; Y210-N229 VanDerWaalsContact CD1-OD1 3.23Å; Y210-N229 WeakPolarHBondContact CD1-OD1 3.24Å; Y210-N229 HydrophobicContact CE1-CB 3.57Å; Y210-N229 VanDerWaalsContact CE1-CG 3.46Å; Y210-N229 PolarHBondContact N-OD1 2.97Å; Y210-N229 PolarHBondContact O-N 3.16Å; Y210-N229 PolarHBondContact O-OD1 3.04Å
211W98.6Very high97.2Very high0 Ų033.2 Ų33.20%019%0.193CC..EExtended strand (participates in β ladder)trans-153154.5165.453.6-67.7000110.3I180 L183 I184 S187 I189 M201 N202 G203 I213 F226 E227I180-W211 HydrophobicContact CG2-CH2 4.16Å; I180-W211 HydrophobicContact CG2-CZ3 4Å; I180-W211 VanDerWaalsContact O-CH2 3.29Å; I180-W211 WeakPolarHBondContact O-CH2 3.36Å; L183-W211 HydrophobicContact CB-CH2 4.48Å; L183-W211 HydrophobicContact CB-CZ3 4.27Å; L183-W211 HydrophobicContact CD1-CZ3 4.37Å; I184-W211 HydrophobicContact CB-CD2 4.29Å; I184-W211 HydrophobicContact CB-CZ2 4.12Å; I184-W211 HydrophobicContact CD1-CB 3.84Å; I184-W211 HydrophobicContact CD1-CD2 3.97Å; I184-W211 HydrophobicContact CD1-CG 3.65Å; I184-W211 HydrophobicContact CG1-CD2 4.29Å; I184-W211 HydrophobicContact CG1-CG 4.44Å; S187-W211 PolarHBondContact OG-NE1 3.33Å; I189-W211 HydrophobicContact CD1-CH2 3.85Å; I189-W211 HydrophobicContact CD1-CZ2 3.74Å; I189-W211 HydrophobicContact CG1-CH2 4.39Å; I189-W211 HydrophobicContact CG1-CZ2 3.94Å; M201-W211 HydrophobicContact CE-CD2 4.16Å; M201-W211 HydrophobicContact CE-CE3 3.88Å; M201-W211 HydrophobicContact CE-CH2 3.5Å; M201-W211 HydrophobicContact CE-CZ2 3.81Å; M201-W211 HydrophobicContact CE-CZ3 3.55Å; M201-W211 HydrophobicContact SD-CD2 4.37Å; M201-W211 HydrophobicContact SD-CE3 3.73Å; M201-W211 HydrophobicContact SD-CH2 4.26Å; M201-W211 HydrophobicContact SD-CZ3 3.67Å; N202-W211 CarbonylContact C-O 3.6Å; N202-W211 WeakPolarHBondContact CA-O 3.45Å; G203-W211 PolarHBondContact N-O 3.41Å; G203-W211 VanDerWaalsContact O-CD1 3.25Å; G203-W211 PolarHBondContact O-N 3.49Å; W211-I213 HydrophobicContact CE3-CD1 4.13Å; W211-I213 HydrophobicContact CE3-CG1 4.4Å; W211-I213 HydrophobicContact CZ3-CD1 3.83Å; W211-F226 AromaticContact CE3-CE2 3.97Å; W211-F226 HydrophobicContact CE3-CE2 3.97Å; W211-E227 CarbonylContact C-O 3.58Å; W211-E227 WeakPolarHBondContact CA-O 3.25Å; W211-E227 VanDerWaalsContact CB-O 3.32Å; W211-E227 WeakPolarHBondContact CB-O 3.39Å
212T98.7Very high97.2Very high1 Ų133.4 Ų33.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-144.4148.7177.9-174.50000110.7S40 F42 M201 N202 H214 F226 E227S40-T212 PolarHBondContact OG-OG1 2.86Å; F42-T212 HydrophobicContact CE2-CG2 4.08Å; F42-T212 HydrophobicContact CZ-CG2 4.49Å; M201-T212 VanDerWaalsContact O-CA 3.26Å; M201-T212 WeakPolarHBondContact O-CA 3.22Å; M201-T212 WeakPolarHBondContact O-CB 3.37Å; M201-T212 PolarHBondContact O-OG1 2.86Å; N202-T212 VanDerWaalsContact OD1-CB 3.28Å; N202-T212 WeakPolarHBondContact OD1-CB 3.46Å; N202-T212 PolarHBondContact OD1-OG1 3.12Å; T212-H214 PolarHBondContact OG1-CD2 2.87Å; T212-H214 PolarHBondContact OG1-NE2 2.92Å; T212-H214 VanDerWaalsContact OG1-NE2 3.11Å; T212-F226 WeakPolarHBondContact O-CA 3.45Å; T212-E227 HydrophobicContact CG2-CB 3.99Å; T212-E227 PolarHBondContact N-O 2.8Å; T212-E227 PolarHBondContact O-N 2.84Å
213I98.8Very high97.2Very high0 Ų033.2 Ų33.20%019%0.193CC..EExtended strand (participates in β ladder)trans-134133.7175.9-62.1172.7000108.5I180 L183 S200 M201 W211 I215 V224 S225 F226 F246I180-I213 HydrophobicContact CG1-CD1 4.31Å; I180-I213 HydrophobicContact CG2-CD1 3.86Å; L183-I213 HydrophobicContact CD1-CD1 3.8Å; S200-I213 CarbonylContact C-O 3.56Å; S200-I213 VanDerWaalsContact CA-O 3.3Å; S200-I213 WeakPolarHBondContact CA-O 3.35Å; M201-I213 HydrophobicContact CG-CB 3.95Å; M201-I213 PolarHBondContact N-O 2.8Å; M201-I213 PolarHBondContact O-N 3.42Å; M201-I213 VanDerWaalsContact O-N 3.14Å; M201-I213 HydrophobicContact SD-CB 4.03Å; M201-I213 HydrophobicContact SD-CD1 4.16Å; M201-I213 HydrophobicContact SD-CG1 4.01Å; W211-I213 HydrophobicContact CE3-CD1 4.13Å; W211-I213 HydrophobicContact CE3-CG1 4.4Å; W211-I213 HydrophobicContact CZ3-CD1 3.83Å; I213-I215 HydrophobicContact CG2-CD1 4.01Å; I213-I215 HydrophobicContact CG2-CG1 3.76Å; I213-V224 HydrophobicContact CG2-CG1 4Å; I213-S225 VanDerWaalsContact CA-O 3.23Å; I213-S225 WeakPolarHBondContact CA-O 3.39Å; I213-S225 WeakPolarHBondContact CG2-O 3.39Å; I213-F226 HydrophobicContact CD1-CD2 3.79Å; I213-F226 HydrophobicContact CD1-CE2 4.38Å; I213-F226 HydrophobicContact CG1-CB 4.35Å; I213-F226 HydrophobicContact CG1-CD2 3.65Å; I213-F226 HydrophobicContact CG1-CE2 4.47Å; I213-F226 HydrophobicContact CG1-CG 4.44Å; I213-F246 HydrophobicContact CD1-CE2 4.23Å; I213-F246 HydrophobicContact CD1-CZ 4.1Å; I213-F246 HydrophobicContact CG2-CZ 3.92Å
214H98.4Very high97.3Very high9 Ų933.2 Ų33.24%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-125.4132.7172.7-64.6-107.7000109.2E11 S40 S200 T212 V224 S225E11-H214 IonicContact OE1-CD2 3.65Å; E11-H214 IonicContact OE1-CG 3.95Å; S40-H214 PolarHBondContact OG-CE1 3.11Å; S40-H214 PolarHBondContact OG-NE2 2.67Å; S200-H214 PolarHBondContact OG-ND1 3.26Å; T212-H214 PolarHBondContact OG1-CD2 2.87Å; T212-H214 PolarHBondContact OG1-NE2 2.92Å; T212-H214 VanDerWaalsContact OG1-NE2 3.11Å; H214-V224 VanDerWaalsContact O-CA 3.31Å; H214-V224 WeakPolarHBondContact O-CA 3.17Å; H214-S225 PolarHBondContact N-O 3.1Å; H214-S225 PolarHBondContact N-OG 3.15Å; H214-S225 PolarHBondContact O-N 2.93Å
215I98.6Very high97.4Very high8 Ų831.2 Ų31.24%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-127.8120.6-172.3-53.9-178.1000109.5M160 F163 I180 G198 Y199 I213 P217 V224 F246M160-I215 HydrophobicContact SD-CG2 4.19Å; F163-I215 HydrophobicContact CB-CG2 4.05Å; F163-I215 HydrophobicContact CD1-CD1 3.52Å; F163-I215 HydrophobicContact CD2-CD1 3.99Å; F163-I215 HydrophobicContact CD2-CG2 3.86Å; F163-I215 HydrophobicContact CE1-CD1 3.29Å; F163-I215 HydrophobicContact CE2-CD1 3.78Å; F163-I215 HydrophobicContact CE2-CG2 4.48Å; F163-I215 HydrophobicContact CG-CD1 3.87Å; F163-I215 HydrophobicContact CG-CG2 3.88Å; F163-I215 HydrophobicContact CZ-CD1 3.43Å; F163-I215 VanDerWaalsContact CZ-CD1 3.43Å; I180-I215 HydrophobicContact CD1-CD1 4.1Å; G198-I215 WeakPolarHBondContact CA-O 3.33Å; Y199-I215 HydrophobicContact CD1-CD1 3.66Å; Y199-I215 HydrophobicContact CD1-CG1 4.11Å; Y199-I215 HydrophobicContact CE1-CD1 4.42Å; Y199-I215 HydrophobicContact CG-CD1 4.27Å; Y199-I215 PolarHBondContact N-O 3.14Å; Y199-I215 PolarHBondContact O-N 2.86Å; I213-I215 HydrophobicContact CG2-CD1 4.01Å; I213-I215 HydrophobicContact CG2-CG1 3.76Å; I215-P217 HydrophobicContact CG2-CB 4.3Å; I215-V224 HydrophobicContact CB-CG2 4.2Å; I215-V224 HydrophobicContact CG1-CG1 4.1Å; I215-V224 HydrophobicContact CG1-CG2 3.96Å; I215-V224 HydrophobicContact CG2-CG2 3.88Å; I215-F246 HydrophobicContact CD1-CE1 3.68Å; I215-F246 HydrophobicContact CD1-CZ 4.24Å; I215-F246 HydrophobicContact CG1-CE1 4.48Å
216T98.3Very high97.5Very high12 Ų1228.3 Ų28.37%0.07417%0.171CC..EExtended strand (participates in β ladder)trans-107.6100.5166.4-57.30000107.3F7 G9 E218 F221 S222 Y223F7-T216 HydrophobicContact CB-CG2 4.45Å; F7-T216 HydrophobicContact CD1-CG2 3.87Å; G9-T216 WeakPolarHBondContact CA-OG1 3.15Å; T216-E218 VanDerWaalsContact CG2-OE2 3.27Å; T216-E218 WeakPolarHBondContact CG2-OE2 3.47Å; T216-F221 HydrophobicContact CG2-CD2 3.67Å; T216-F221 HydrophobicContact CG2-CE2 3.74Å; T216-S222 VanDerWaalsContact O-CA 3.3Å; T216-S222 WeakPolarHBondContact O-CA 3.23Å; T216-Y223 PolarHBondContact N-O 3.15Å; T216-Y223 PolarHBondContact O-N 3.48Å
217P98.3Very high97.7Very high2 Ų222 Ų221%0.01313%0.126CC..  trans-87.4-10.6-166.534.2-37.1000114.7M160 F163 Y164 C197 I215M160-P217 HydrophobicContact CB-CB 3.97Å; M160-P217 HydrophobicContact SD-CB 4.21Å; F163-P217 HydrophobicContact CB-CB 4.19Å; F163-P217 HydrophobicContact CB-CG 4.35Å; Y164-P217 HydrophobicContact CD2-CB 4.29Å; Y164-P217 HydrophobicContact CD2-CG 4.23Å; Y164-P217 HydrophobicContact CE2-CB 3.76Å; Y164-P217 HydrophobicContact CE2-CG 3.79Å; C197-P217 HydrophobicContact CB-CG 3.71Å; I215-P217 HydrophobicContact CG2-CB 4.3Å
218E98.1Very high98Very high25 Ų2517.1 Ų17.112%0.11710%0.1CC..  trans-57.6130.6-177-63.697.4128.400111.9H5 Y164 T216 E220 F221 S222H5-E218 IonicContact CE1-OE1 3.39Å; H5-E218 IonicContact ND1-OE1 3.14Å; Y164-E218 WeakPolarHBondContact OH-CA 3.49Å; T216-E218 VanDerWaalsContact CG2-OE2 3.27Å; T216-E218 WeakPolarHBondContact CG2-OE2 3.47Å; E218-E220 PolarHBondContact O-N 2.94Å; E218-E220 VanDerWaalsContact O-N 3.17Å; E218-F221 HydrophobicContact CB-CD2 4.16Å; E218-F221 HydrophobicContact CB-CE1 4.08Å; E218-F221 HydrophobicContact CB-CE2 3.55Å; E218-F221 HydrophobicContact CB-CZ 3.49Å; E218-F221 VanDerWaalsContact CB-CZ 3.49Å; E218-F221 VanDerWaalsContact CD-CE2 3.47Å; E218-F221 HydrophobicContact CG-CE2 3.88Å; E218-F221 HydrophobicContact CG-CZ 3.73Å; E218-F221 CarbonylContact O-C 3.53Å; E218-F221 PolarHBondContact O-N 3.18Å; E218-S222 WeakPolarHBondContact O-CA 3.4Å; E218-S222 WeakPolarHBondContact O-CB 3.15Å; E218-S222 PolarHBondContact O-N 2.82Å
219P97.1Very high98.2Very high83 Ų8316 Ų1654%0.5399%0.085SC..THydrogen-bonded Turntrans-63.4-29.5-168.823-32.3000113.4F221P219-F221 VanDerWaalsContact C-N 3.29Å; P219-F221 PolarHBondContact O-N 2.82Å
220E97.1Very high98.3Very high150 Ų15016.4 Ų16.470%0.7019%0.087SC*.THydrogen-bonded Turntrans-69.6-24.7-178-61.680-174.700113.5E218E218-E220 PolarHBondContact O-N 2.94Å; E218-E220 VanDerWaalsContact O-N 3.17Å
221F97.4Very high98.2Very high9 Ų918.4 Ų18.44%0.03910%0.1CC..SBendtrans-147.633.9-175.946-93000112.1H5 F6 F7 M89 T216 E218 P219 Y223H5-F221 WeakPolarHBondContact O-CE1 3.38Å; F6-F221 HydrophobicContact CB-CE1 4.45Å; F6-F221 HydrophobicContact CD2-CB 3.98Å; F6-F221 AromaticContact CD2-CD1 3.66Å; F6-F221 HydrophobicContact CD2-CD1 3.66Å; F6-F221 HydrophobicContact CD2-CE1 4.33Å; F6-F221 AromaticContact CD2-CG 3.8Å; F6-F221 HydrophobicContact CD2-CG 3.8Å; F6-F221 HydrophobicContact CE2-CB 3.77Å; F6-F221 HydrophobicContact CE2-CD1 4.34Å; F6-F221 HydrophobicContact CE2-CG 4.05Å; F7-F221 HydrophobicContact CB-CD2 4.4Å; F7-F221 HydrophobicContact CB-CE2 3.79Å; F7-F221 HydrophobicContact CB-CZ 4.47Å; F7-F221 VanDerWaalsContact O-CD2 3.27Å; F7-F221 WeakPolarHBondContact O-CD2 3.48Å; M89-F221 HydrophobicContact SD-CB 3.79Å; T216-F221 HydrophobicContact CG2-CD2 3.67Å; T216-F221 HydrophobicContact CG2-CE2 3.74Å; E218-F221 HydrophobicContact CB-CD2 4.16Å; E218-F221 HydrophobicContact CB-CE1 4.08Å; E218-F221 HydrophobicContact CB-CE2 3.55Å; E218-F221 HydrophobicContact CB-CZ 3.49Å; E218-F221 VanDerWaalsContact CB-CZ 3.49Å; E218-F221 VanDerWaalsContact CD-CE2 3.47Å; E218-F221 HydrophobicContact CG-CE2 3.88Å; E218-F221 HydrophobicContact CG-CZ 3.73Å; E218-F221 CarbonylContact O-C 3.53Å; E218-F221 PolarHBondContact O-N 3.18Å; P219-F221 VanDerWaalsContact C-N 3.29Å; P219-F221 PolarHBondContact O-N 2.82Å; F221-Y223 PolarHBondContact O-N 2.87Å
222S98.6Very high97.9Very high7 Ų721.6 Ų21.65%0.04912%0.115CC..  trans-55.6128.8-17658.90000111.7S153 L155 T216 E218S153-S222 WeakPolarHBondContact CA-O 3.5Å; L155-S222 VanDerWaalsContact CD1-C 3.45Å; L155-S222 PolarHBondContact N-OG 2.87Å; L155-S222 VanDerWaalsContact N-OG 3.1Å; T216-S222 VanDerWaalsContact O-CA 3.3Å; T216-S222 WeakPolarHBondContact O-CA 3.23Å; E218-S222 WeakPolarHBondContact O-CA 3.4Å; E218-S222 WeakPolarHBondContact O-CB 3.15Å; E218-S222 PolarHBondContact O-N 2.82Å
223Y98.8Very high97.6Very high2 Ų226.2 Ų26.21%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-146.1137.1-175.9-171.5-96.1000111G9 K86 M89 M152 T216 F221G9-Y223 VanDerWaalsContact O-CD1 3.27Å; G9-Y223 WeakPolarHBondContact O-CD1 3.4Å; G9-Y223 VanDerWaalsContact O-CE1 3.3Å; G9-Y223 WeakPolarHBondContact O-CE1 3.3Å; K86-Y223 HydrophobicContact CD-CE2 4.39Å; M89-Y223 HydrophobicContact CE-CD2 4.06Å; M152-Y223 WeakPolarHBondContact O-CA 3.31Å; M152-Y223 VanDerWaalsContact O-CD2 3.25Å; M152-Y223 WeakPolarHBondContact O-CD2 3.25Å; T216-Y223 PolarHBondContact N-O 3.15Å; T216-Y223 PolarHBondContact O-N 3.48Å; F221-Y223 PolarHBondContact O-N 2.87Å
224V98.9Very high97.2Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-134131.3170.4178.30000109.7M152 L155 M160 I213 H214 I215 F246M152-V224 HydrophobicContact CB-CB 4.24Å; M152-V224 WeakPolarHBondContact CB-O 3.36Å; M152-V224 HydrophobicContact CE-CB 3.83Å; M152-V224 HydrophobicContact CE-CG1 3.45Å; M152-V224 VanDerWaalsContact CE-CG1 3.45Å; M152-V224 PolarHBondContact N-O 2.89Å; M152-V224 PolarHBondContact O-N 2.95Å; M152-V224 VanDerWaalsContact O-N 3.09Å; L155-V224 HydrophobicContact CD1-CG2 4.01Å; L155-V224 HydrophobicContact CD2-CB 3.88Å; L155-V224 HydrophobicContact CD2-CG2 3.33Å; L155-V224 HydrophobicContact CG-CG2 4.32Å; M160-V224 HydrophobicContact CE-CG2 4.24Å; M160-V224 HydrophobicContact SD-CG2 4.35Å; I213-V224 HydrophobicContact CG2-CG1 4Å; H214-V224 VanDerWaalsContact O-CA 3.31Å; H214-V224 WeakPolarHBondContact O-CA 3.17Å; I215-V224 HydrophobicContact CB-CG2 4.2Å; I215-V224 HydrophobicContact CG1-CG1 4.1Å; I215-V224 HydrophobicContact CG1-CG2 3.96Å; I215-V224 HydrophobicContact CG2-CG2 3.88Å; V224-F246 HydrophobicContact CG1-CD1 4.1Å; V224-F246 HydrophobicContact CG1-CD2 4.18Å; V224-F246 HydrophobicContact CG1-CE1 4.04Å; V224-F246 HydrophobicContact CG1-CE2 4.12Å; V224-F246 HydrophobicContact CG1-CG 4.18Å; V224-F246 HydrophobicContact CG1-CZ 4.05Å; V224-F246 HydrophobicContact CG2-CD1 4.18Å
225S98.8Very high97Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-104.7142.9166.974.30000110.2E11 I213 H214E11-S225 VanDerWaalsContact CD-CB 3.48Å; E11-S225 WeakPolarHBondContact OE1-CB 3.47Å; E11-S225 PolarHBondContact OE1-OG 2.87Å; E11-S225 WeakPolarHBondContact OE2-CB 3.45Å; E11-S225 PolarHBondContact OE2-OG 2.83Å; I213-S225 VanDerWaalsContact CA-O 3.23Å; I213-S225 WeakPolarHBondContact CA-O 3.39Å; I213-S225 WeakPolarHBondContact CG2-O 3.39Å; H214-S225 PolarHBondContact N-O 3.1Å; H214-S225 PolarHBondContact N-OG 3.15Å; H214-S225 PolarHBondContact O-N 2.93Å
226F98.9Very high96.7Very high0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-130.8131.4165.9170.5-83.1000107.3E149 I150 M152 L183 I184 W211 T212 I213 T228 L238 V242E149-F226 CarbonylContact C-O 3.57Å; E149-F226 VanDerWaalsContact CA-O 3.24Å; E149-F226 WeakPolarHBondContact CA-O 3.39Å; I150-F226 HydrophobicContact CB-CB 4.27Å; I150-F226 HydrophobicContact CB-CD1 4.44Å; I150-F226 HydrophobicContact CD1-CD1 3.89Å; I150-F226 HydrophobicContact CD1-CE1 4.36Å; I150-F226 HydrophobicContact CG1-CD1 4.11Å; I150-F226 PolarHBondContact N-O 2.84Å; I150-F226 PolarHBondContact O-N 3.35Å; M152-F226 HydrophobicContact CE-CB 4.32Å; L183-F226 HydrophobicContact CD1-CD2 4.42Å; L183-F226 HydrophobicContact CD1-CE2 4.26Å; I184-F226 HydrophobicContact CD1-CZ 4.07Å; W211-F226 AromaticContact CE3-CE2 3.97Å; W211-F226 HydrophobicContact CE3-CE2 3.97Å; T212-F226 WeakPolarHBondContact O-CA 3.45Å; I213-F226 HydrophobicContact CD1-CD2 3.79Å; I213-F226 HydrophobicContact CD1-CE2 4.38Å; I213-F226 HydrophobicContact CG1-CB 4.35Å; I213-F226 HydrophobicContact CG1-CD2 3.65Å; I213-F226 HydrophobicContact CG1-CE2 4.47Å; I213-F226 HydrophobicContact CG1-CG 4.44Å; F226-T228 HydrophobicContact CE1-CG2 3.6Å; F226-T228 HydrophobicContact CZ-CG2 3.93Å; F226-L238 HydrophobicContact CE1-CD2 4.14Å; F226-L238 HydrophobicContact CE1-CG 4.42Å; F226-L238 HydrophobicContact CZ-CD1 4.23Å; F226-L238 HydrophobicContact CZ-CD2 4.16Å; F226-L238 HydrophobicContact CZ-CG 4.36Å; F226-V242 HydrophobicContact CB-CG1 4.04Å; F226-V242 HydrophobicContact CD1-CG2 4.16Å; F226-V242 HydrophobicContact CD2-CG1 4.35Å; F226-V242 HydrophobicContact CD2-CG2 3.87Å; F226-V242 HydrophobicContact CE1-CG2 4.13Å; F226-V242 HydrophobicContact CE2-CG2 3.86Å; F226-V242 HydrophobicContact CG-CG1 4.1Å; F226-V242 HydrophobicContact CG-CG2 4.04Å; F226-V242 HydrophobicContact CZ-CG2 3.99Å
227E98.8Very high96.5Very high1 Ų133 Ų331%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-136.5141.3177.8178.2-178.8143.900110K51 T147 L148 E149 Y210 W211 T212K51-E227 WeakPolarHBondContact CD-OE2 3.47Å; K51-E227 WeakPolarHBondContact CE-OE2 3.28Å; K51-E227 IonicContact NZ-OE2 3.17Å; K51-E227 PolarHBondContact NZ-OE2 3.09Å; T147-E227 HydrophobicContact CG2-CG 4.16Å; L148-E227 CarbonylContact O-C 3.48Å; L148-E227 VanDerWaalsContact O-CA 3.31Å; L148-E227 WeakPolarHBondContact O-CA 3.49Å; E149-E227 HydrophobicContact CG-CB 4.33Å; E149-E227 HydrophobicContact CG-CG 4.09Å; Y210-E227 HydrophobicContact CE2-CG 4.15Å; Y210-E227 PolarHBondContact OH-OE1 3.1Å; W211-E227 CarbonylContact C-O 3.58Å; W211-E227 WeakPolarHBondContact CA-O 3.25Å; W211-E227 VanDerWaalsContact CB-O 3.32Å; W211-E227 WeakPolarHBondContact CB-O 3.39Å; T212-E227 HydrophobicContact CG2-CB 3.99Å; T212-E227 PolarHBondContact N-O 2.8Å; T212-E227 PolarHBondContact O-N 2.84Å
228T98.7Very high96.4Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-156.6150.9174.4-172.60000112.5T147 L148 I184 Y210 F226 L230 L238T147-T228 WeakPolarHBondContact CA-O 3.47Å; L148-T228 HydrophobicContact CB-CG2 4.31Å; L148-T228 PolarHBondContact N-O 2.72Å; L148-T228 PolarHBondContact O-N 2.95Å; I184-T228 HydrophobicContact CD1-CG2 4.41Å; Y210-T228 WeakPolarHBondContact O-CA 3.36Å; Y210-T228 WeakPolarHBondContact O-CB 3.39Å; Y210-T228 PolarHBondContact O-OG1 2.89Å; F226-T228 HydrophobicContact CE1-CG2 3.6Å; F226-T228 HydrophobicContact CZ-CG2 3.93Å; T228-L230 HydrophobicContact CG2-CB 4.07Å; T228-L230 WeakPolarHBondContact OG1-CB 3.2Å; T228-L230 PolarHBondContact OG1-N 2.88Å; T228-L238 HydrophobicContact CG2-CD2 3.97Å
229N97.6Very high96.4Very high16 Ų1632.3 Ų32.39%0.08618%0.179CC..  trans-98.614.116474.7-24.7000114R47 Q146 G208 T209 Y210 S231R47-N229 PolarHBondContact NH2-ND2 2.99Å; R47-N229 VanDerWaalsContact NH2-ND2 3.11Å; Q146-N229 PolarHBondContact NE2-O 2.96Å; Q146-N229 WeakPolarHBondContact O-CA 3.44Å; Q146-N229 WeakPolarHBondContact O-CB 3.32Å; G208-N229 PolarHBondContact O-ND2 3.23Å; T209-N229 VanDerWaalsContact CA-OD1 3.29Å; T209-N229 WeakPolarHBondContact CA-OD1 3.49Å; Y210-N229 HydrophobicContact CD1-CB 4Å; Y210-N229 VanDerWaalsContact CD1-OD1 3.23Å; Y210-N229 WeakPolarHBondContact CD1-OD1 3.24Å; Y210-N229 HydrophobicContact CE1-CB 3.57Å; Y210-N229 VanDerWaalsContact CE1-CG 3.46Å; Y210-N229 PolarHBondContact N-OD1 2.97Å; Y210-N229 PolarHBondContact O-N 3.16Å; Y210-N229 PolarHBondContact O-OD1 3.04Å; N229-S231 PolarHBondContact O-N 3.31Å; N229-S231 VanDerWaalsContact O-N 3.15Å
230L97.3Very high96.4Very high20 Ų2032.1 Ų32.111%0.10517%0.168CC..  trans-54.4120.9179.8176.669.3000110.4I184 T209 T228 Q232 Y235 L238I184-L230 HydrophobicContact CD1-CB 4.22Å; I184-L230 HydrophobicContact CD1-CD2 3.93Å; I184-L230 HydrophobicContact CG1-CD2 4.13Å; I184-L230 HydrophobicContact CG2-CD1 4.43Å; I184-L230 HydrophobicContact CG2-CD2 4.19Å; T209-L230 HydrophobicContact CG2-CB 3.75Å; T209-L230 HydrophobicContact CG2-CD1 3.89Å; T209-L230 HydrophobicContact CG2-CG 4.43Å; T228-L230 HydrophobicContact CG2-CB 4.07Å; T228-L230 WeakPolarHBondContact OG1-CB 3.2Å; T228-L230 PolarHBondContact OG1-N 2.88Å; L230-Q232 HydrophobicContact CD2-CG 4.25Å; L230-Q232 HydrophobicContact CG-CG 4.3Å; L230-Q232 PolarHBondContact O-N 3.09Å; L230-Y235 WeakPolarHBondContact O-CE1 3.31Å; L230-Y235 PolarHBondContact O-OH 3.32Å; L230-L238 HydrophobicContact CD2-CD2 4.23Å
231S95.8Very high96.4Very high41 Ų4130 Ų3029%0.28716%0.156SC..  trans-69.9126.6177.6-165.40000111.2N229N229-S231 PolarHBondContact O-N 3.31Å; N229-S231 VanDerWaalsContact O-N 3.15Å
232Q93.5Very high96.5Very high67 Ų6729.6 Ų29.631%0.31315%0.154SC..  trans-137151.7175.9-68.1-64-4500110.4L230 S234 Y235 C263L230-Q232 HydrophobicContact CD2-CG 4.25Å; L230-Q232 HydrophobicContact CG-CG 4.3Å; L230-Q232 PolarHBondContact O-N 3.09Å; Q232-S234 WeakPolarHBondContact CB-O 3.5Å; Q232-Y235 HydrophobicContact CB-CD1 4.03Å; Q232-Y235 HydrophobicContact CB-CD2 4.43Å; Q232-Y235 HydrophobicContact CB-CE1 3.88Å; Q232-Y235 HydrophobicContact CB-CE2 4.27Å; Q232-Y235 HydrophobicContact CB-CG 4.34Å; Q232-Y235 HydrophobicContact CG-CD1 4.02Å; Q232-Y235 HydrophobicContact CG-CE1 3.82Å; Q232-C263 VanDerWaalsContact O-CA 3.25Å; Q232-C263 WeakPolarHBondContact O-CA 3.44Å; Q232-C263 VanDerWaalsContact O-CB 3.26Å; Q232-C263 WeakPolarHBondContact O-CB 3.25Å
233T91.8Very high96.5Very high98 Ų9829.7 Ų29.760%0.60115%0.154SC*.SBendtrans-74.6-37170.850.30000111.4T265T233-T265 PolarHBondContact O-OG1 3.06Å
234S91Very high96.5Very high31 Ų3134.9 Ų34.922%0.21718%0.179CC..  trans-139.4143.2168.5-1790000110Q232 D236Q232-S234 WeakPolarHBondContact CB-O 3.5Å; S234-D236 PolarHBondContact OG-N 2.95Å; S234-D236 PolarHBondContact OG-OD2 3.13Å
235Y93.8Very high96.4Very high4 Ų436.2 Ų36.22%0.01619%0.187CC..SBendtrans-93.3-2.9178.4-75.6-79.4000114Q146 L148 L230 Q232 D237 L238 I239 L255 C263Q146-Y235 WeakPolarHBondContact CG-OH 3.34Å; L148-Y235 HydrophobicContact CB-CD1 4.21Å; L148-Y235 HydrophobicContact CB-CE1 4.05Å; L148-Y235 HydrophobicContact CD2-CD1 3.49Å; L148-Y235 VanDerWaalsContact CD2-CD1 3.49Å; L148-Y235 HydrophobicContact CD2-CE1 4.08Å; L148-Y235 HydrophobicContact CD2-CG 4.02Å; L148-Y235 HydrophobicContact CG-CD1 4.36Å; L230-Y235 WeakPolarHBondContact O-CE1 3.31Å; L230-Y235 PolarHBondContact O-OH 3.32Å; Q232-Y235 HydrophobicContact CB-CD1 4.03Å; Q232-Y235 HydrophobicContact CB-CD2 4.43Å; Q232-Y235 HydrophobicContact CB-CE1 3.88Å; Q232-Y235 HydrophobicContact CB-CE2 4.27Å; Q232-Y235 HydrophobicContact CB-CG 4.34Å; Q232-Y235 HydrophobicContact CG-CD1 4.02Å; Q232-Y235 HydrophobicContact CG-CE1 3.82Å; Y235-D237 VanDerWaalsContact C-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.3Å; Y235-L238 HydrophobicContact CD1-CD2 4.09Å; Y235-L238 HydrophobicContact CE1-CD2 4.36Å; Y235-L238 PolarHBondContact O-N 3.42Å; Y235-L238 VanDerWaalsContact O-N 3.12Å; Y235-I239 VanDerWaalsContact O-CG1 3.28Å; Y235-I239 WeakPolarHBondContact O-CG1 3.4Å; Y235-I239 PolarHBondContact O-N 3.19Å; Y235-L255 HydrophobicContact CD2-CD1 3.8Å; Y235-L255 HydrophobicContact CD2-CD2 3.62Å; Y235-L255 HydrophobicContact CD2-CG 4.41Å; Y235-L255 HydrophobicContact CE2-CD1 3.49Å; Y235-L255 VanDerWaalsContact CE2-CD1 3.49Å; Y235-L255 HydrophobicContact CE2-CD2 4.06Å; Y235-L255 HydrophobicContact CE2-CG 4.45Å; Y235-C263 HydrophobicContact CE2-CB 4.33Å
236D92.3Very high96.4Very high39 Ų3936.2 Ų36.221%0.20919%0.187CC..Hα-helixtrans-54.4-42.2-175.9-67.7-24.1000112.4S234 R240S234-D236 PolarHBondContact OG-N 2.95Å; S234-D236 PolarHBondContact OG-OD2 3.13Å; D236-R240 WeakPolarHBondContact O-CB 3.43Å; D236-R240 PolarHBondContact O-N 3.5Å
237D93.8Very high96.4Very high97 Ų9740.8 Ų40.852%0.51921%0.207SC..Hα-helixtrans-70.3-39.1-179.8-71.1-16.2000112.8Y235 R240 K241Y235-D237 VanDerWaalsContact C-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.3Å; D237-R240 PolarHBondContact O-N 2.79Å; D237-R240 IonicContact OD1-CZ 3.89Å; D237-R240 IonicContact OD1-NH1 2.71Å; D237-R240 PolarHBondContact OD1-NH1 3.26Å; D237-R240 IonicContact OD1-NH2 3.81Å; D237-R240 PolarHBondContact OD1-NH2 3.15Å; D237-R240 VanDerWaalsContact OD1-NH2 3.14Å; D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.37Å; D237-K241 PolarHBondContact O-N 2.8Å
238L96.9Very high96.4Very high13 Ų1340.8 Ų40.87%0.06821%0.207CC..Hα-helixtrans-68.4-44176.8-178.360.3000110.7L148 I184 F226 T228 L230 Y235 R240 K241 V242L148-L238 HydrophobicContact CD2-CD2 4.14Å; I184-L238 HydrophobicContact CG1-CD1 4.38Å; F226-L238 HydrophobicContact CE1-CD2 4.14Å; F226-L238 HydrophobicContact CE1-CG 4.42Å; F226-L238 HydrophobicContact CZ-CD1 4.23Å; F226-L238 HydrophobicContact CZ-CD2 4.16Å; F226-L238 HydrophobicContact CZ-CG 4.36Å; T228-L238 HydrophobicContact CG2-CD2 3.97Å; L230-L238 HydrophobicContact CD2-CD2 4.23Å; Y235-L238 HydrophobicContact CD1-CD2 4.09Å; Y235-L238 HydrophobicContact CE1-CD2 4.36Å; Y235-L238 PolarHBondContact O-N 3.42Å; Y235-L238 VanDerWaalsContact O-N 3.12Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 2.95Å; L238-K241 PolarHBondContact O-N 3.12Å; L238-V242 HydrophobicContact CD1-CG2 4.29Å; L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.2Å
239I97.5Very high96.4Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-59.2-45.7176.2-65.1162.6000109.9L148 I150 Y235 K241 V242 V243 F251 T253 Q271 I273L148-I239 HydrophobicContact CD1-CD1 4.37Å; L148-I239 HydrophobicContact CD1-CG1 4.47Å; L148-I239 HydrophobicContact CD2-CG1 4.06Å; I150-I239 HydrophobicContact CD1-CB 4.19Å; I150-I239 HydrophobicContact CD1-CG1 3.84Å; I150-I239 HydrophobicContact CD1-CG2 4.36Å; I150-I239 HydrophobicContact CG1-CG1 4.31Å; Y235-I239 VanDerWaalsContact O-CG1 3.28Å; Y235-I239 WeakPolarHBondContact O-CG1 3.4Å; Y235-I239 PolarHBondContact O-N 3.19Å; I239-K241 PolarHBondContact O-N 3.38Å; I239-V242 PolarHBondContact O-N 3.33Å; I239-V243 HydrophobicContact CG2-CG2 4.23Å; I239-V243 WeakPolarHBondContact O-CB 3.36Å; I239-V243 VanDerWaalsContact O-CG2 3.24Å; I239-V243 WeakPolarHBondContact O-CG2 3.45Å; I239-V243 PolarHBondContact O-N 2.77Å; I239-F251 HydrophobicContact CG2-CE2 4.02Å; I239-F251 HydrophobicContact CG2-CZ 4.38Å; I239-T253 HydrophobicContact CD1-CG2 4.22Å; I239-T253 HydrophobicContact CG1-CG2 4.45Å; I239-T253 HydrophobicContact CG2-CG2 4.37Å; I239-Q271 HydrophobicContact CD1-CG 4.32Å; I239-I273 HydrophobicContact CB-CD1 4Å; I239-I273 HydrophobicContact CG2-CD1 3.54Å; I239-I273 HydrophobicContact CG2-CG1 3.93Å
240R97.1Very high96.5Very high79 Ų7943.4 Ų43.430%0.29822%0.222SC..Hα-helixtrans-58.6-48.9177.1-166.1-171.7-51.1102.79.2111.7D236 D237 L238 V242 V243 E244D236-R240 WeakPolarHBondContact O-CB 3.43Å; D236-R240 PolarHBondContact O-N 3.5Å; D237-R240 PolarHBondContact O-N 2.79Å; D237-R240 IonicContact OD1-CZ 3.89Å; D237-R240 IonicContact OD1-NH1 2.71Å; D237-R240 PolarHBondContact OD1-NH1 3.26Å; D237-R240 IonicContact OD1-NH2 3.81Å; D237-R240 PolarHBondContact OD1-NH2 3.15Å; D237-R240 VanDerWaalsContact OD1-NH2 3.14Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 2.95Å; R240-V242 PolarHBondContact O-N 3.07Å; R240-V243 PolarHBondContact O-N 3.44Å; R240-E244 WeakPolarHBondContact CD-OE1 3.44Å; R240-E244 HydrophobicContact CG-CG 4.41Å; R240-E244 WeakPolarHBondContact CG-OE1 3.21Å; R240-E244 WeakPolarHBondContact O-CB 3.33Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.47Å; R240-E244 PolarHBondContact O-N 3.22Å
241K98.1Very high96.5Very high107 Ų10742.6 Ų42.647%0.46522%0.218SC..Hα-helixtrans-58.5-46178.2-75175.2178.8-1750112.6L183 D237 L238 I239 E244 V245L183-K241 HydrophobicContact CD2-CB 4.08Å; D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.37Å; D237-K241 PolarHBondContact O-N 2.8Å; L238-K241 PolarHBondContact O-N 3.12Å; I239-K241 PolarHBondContact O-N 3.38Å; K241-E244 PolarHBondContact O-N 3.2Å; K241-V245 WeakPolarHBondContact O-CG2 3.37Å; K241-V245 PolarHBondContact O-N 3.34Å; K241-V245 VanDerWaalsContact O-N 3.1Å
242V98.6Very high96.7Very high0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-63-46.3178.6173.90000110.5I150 M152 L183 F226 L238 I239 R240 E244 V245 F246I150-V242 HydrophobicContact CB-CG1 4.5Å; I150-V242 HydrophobicContact CD1-CB 3.75Å; I150-V242 HydrophobicContact CD1-CG1 3.84Å; I150-V242 HydrophobicContact CD1-CG2 3.94Å; I150-V242 HydrophobicContact CG2-CG1 4.4Å; M152-V242 HydrophobicContact CE-CG1 3.74Å; M152-V242 HydrophobicContact SD-CG1 4.09Å; L183-V242 HydrophobicContact CD1-CG2 4.3Å; L183-V242 HydrophobicContact CD2-CG2 3.91Å; F226-V242 HydrophobicContact CB-CG1 4.04Å; F226-V242 HydrophobicContact CD1-CG2 4.16Å; F226-V242 HydrophobicContact CD2-CG1 4.35Å; F226-V242 HydrophobicContact CD2-CG2 3.87Å; F226-V242 HydrophobicContact CE1-CG2 4.13Å; F226-V242 HydrophobicContact CE2-CG2 3.86Å; F226-V242 HydrophobicContact CG-CG1 4.1Å; F226-V242 HydrophobicContact CG-CG2 4.04Å; F226-V242 HydrophobicContact CZ-CG2 3.99Å; L238-V242 HydrophobicContact CD1-CG2 4.29Å; L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.2Å; I239-V242 PolarHBondContact O-N 3.33Å; R240-V242 PolarHBondContact O-N 3.07Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.02Å; V242-V245 PolarHBondContact O-N 3.47Å; V242-F246 HydrophobicContact CG1-CD2 3.81Å; V242-F246 HydrophobicContact CG1-CE2 4.12Å; V242-F246 VanDerWaalsContact O-CD2 3.26Å; V242-F246 WeakPolarHBondContact O-CD2 3.37Å; V242-F246 PolarHBondContact O-N 3.35Å
243V98.4Very high96.9Very high8 Ų837.5 Ų37.55%0.04819%0.19CC..Hα-helixtrans-66.5-32.8178.8171.30000112.1I239 R240 K247 P248 F251 I273 F276I239-V243 HydrophobicContact CG2-CG2 4.23Å; I239-V243 WeakPolarHBondContact O-CB 3.36Å; I239-V243 VanDerWaalsContact O-CG2 3.24Å; I239-V243 WeakPolarHBondContact O-CG2 3.45Å; I239-V243 PolarHBondContact O-N 2.77Å; R240-V243 PolarHBondContact O-N 3.44Å; V243-K247 VanDerWaalsContact O-CA 3.29Å; V243-K247 WeakPolarHBondContact O-CA 3.08Å; V243-K247 PolarHBondContact O-N 2.76Å; V243-P248 HydrophobicContact CG1-CG 4.1Å; V243-P248 HydrophobicContact CG2-CG 4.44Å; V243-F251 HydrophobicContact CG1-CE1 4.19Å; V243-F251 HydrophobicContact CG2-CD1 4.15Å; V243-F251 HydrophobicContact CG2-CD2 4.41Å; V243-F251 HydrophobicContact CG2-CE1 3.8Å; V243-F251 HydrophobicContact CG2-CE2 4.09Å; V243-F251 HydrophobicContact CG2-CG 4.45Å; V243-F251 HydrophobicContact CG2-CZ 3.78Å; V243-I273 HydrophobicContact CG1-CG2 4.48Å; V243-F276 HydrophobicContact CG1-CD2 4.17Å; V243-F276 HydrophobicContact CG1-CE2 3.32Å; V243-F276 HydrophobicContact CG1-CZ 3.61Å
244E98.3Very high97.2Very high111 Ų11132.9 Ų32.952%0.51916%0.161SC..Hα-helixtrans-67.7-38.2175.2-80.4172-174.800112.8R240 K241 V242 K247R240-E244 WeakPolarHBondContact CD-OE1 3.44Å; R240-E244 HydrophobicContact CG-CG 4.41Å; R240-E244 WeakPolarHBondContact CG-OE1 3.21Å; R240-E244 WeakPolarHBondContact O-CB 3.33Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.47Å; R240-E244 PolarHBondContact O-N 3.22Å; K241-E244 PolarHBondContact O-N 3.2Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.02Å; E244-K247 WeakPolarHBondContact O-CG 3.48Å; E244-K247 PolarHBondContact O-NZ 2.93Å
245V98.6Very high97.5Very high29 Ų2931.7 Ų31.718%0.17615%0.152CC..Hα-helixtrans-65.5-50.5174.61660000110.6V159 S178 I180 L183 K241 V242V159-V245 WeakPolarHBondContact CG1-O 3.28Å; S178-V245 WeakPolarHBondContact O-CG1 3.48Å; I180-V245 HydrophobicContact CG1-CG1 4.39Å; L183-V245 HydrophobicContact CD2-CG2 3.93Å; K241-V245 WeakPolarHBondContact O-CG2 3.37Å; K241-V245 PolarHBondContact O-N 3.34Å; K241-V245 VanDerWaalsContact O-N 3.1Å; V242-V245 PolarHBondContact O-N 3.47Å
246F98.8Very high97.5Very high0 Ų032.4 Ų32.40%016%0.155CC..Hα-helixtrans-93.7-18.1-169.7-68.6-63.1000115.3M152 L155 M160 F163 I180 L183 I213 I215 V224 V242M152-F246 HydrophobicContact CE-CB 4.36Å; M152-F246 HydrophobicContact CE-CD2 3.7Å; M152-F246 HydrophobicContact CE-CE2 4.32Å; M152-F246 HydrophobicContact CE-CG 4.2Å; M152-F246 HydrophobicContact SD-CB 3.74Å; M152-F246 HydrophobicContact SD-CD2 4.03Å; M152-F246 HydrophobicContact SD-CG 4.21Å; L155-F246 HydrophobicContact CD2-CB 3.84Å; M160-F246 HydrophobicContact CE-CD1 4.37Å; F163-F246 HydrophobicContact CE2-CE1 4.31Å; F163-F246 HydrophobicContact CZ-CE1 4.01Å; I180-F246 HydrophobicContact CD1-CE1 4.13Å; I180-F246 HydrophobicContact CD1-CZ 3.85Å; I180-F246 HydrophobicContact CG1-CE1 4.35Å; I180-F246 HydrophobicContact CG1-CZ 3.8Å; L183-F246 HydrophobicContact CD1-CE2 4.37Å; I213-F246 HydrophobicContact CD1-CE2 4.23Å; I213-F246 HydrophobicContact CD1-CZ 4.1Å; I213-F246 HydrophobicContact CG2-CZ 3.92Å; I215-F246 HydrophobicContact CD1-CE1 3.68Å; I215-F246 HydrophobicContact CD1-CZ 4.24Å; I215-F246 HydrophobicContact CG1-CE1 4.48Å; V224-F246 HydrophobicContact CG1-CD1 4.1Å; V224-F246 HydrophobicContact CG1-CD2 4.18Å; V224-F246 HydrophobicContact CG1-CE1 4.04Å; V224-F246 HydrophobicContact CG1-CE2 4.12Å; V224-F246 HydrophobicContact CG1-CG 4.18Å; V224-F246 HydrophobicContact CG1-CZ 4.05Å; V224-F246 HydrophobicContact CG2-CD1 4.18Å; V242-F246 HydrophobicContact CG1-CD2 3.81Å; V242-F246 HydrophobicContact CG1-CE2 4.12Å; V242-F246 VanDerWaalsContact O-CD2 3.26Å; V242-F246 WeakPolarHBondContact O-CD2 3.37Å; V242-F246 PolarHBondContact O-N 3.35Å
247K98.6Very high97.5Very high96 Ų9630.8 Ų30.842%0.41715%0.147SC..  trans48.651.8177.4-53.9-171.2-168.5-52.50114.8D156 V159 V243 E244D156-K247 HydrophobicContact CB-CB 3.76Å; D156-K247 HydrophobicContact CB-CD 4.39Å; D156-K247 PolarHBondContact N-O 2.86Å; V159-K247 HydrophobicContact CG2-CB 4.36Å; V159-K247 HydrophobicContact CG2-CD 3.9Å; V159-K247 HydrophobicContact CG2-CG 4.12Å; V243-K247 VanDerWaalsContact O-CA 3.29Å; V243-K247 WeakPolarHBondContact O-CA 3.08Å; V243-K247 PolarHBondContact O-N 2.76Å; E244-K247 WeakPolarHBondContact O-CG 3.48Å; E244-K247 PolarHBondContact O-NZ 2.93Å
248P98.7Very high97.4Very high1 Ų126.3 Ų26.31%0.00612%0.123CC..  trans-66.7152.7-178.930.5-37.8000113.8M152 V243 F251 F276M152-P248 HydrophobicContact CB-CB 3.91Å; M152-P248 HydrophobicContact CB-CG 4.37Å; M152-P248 HydrophobicContact CG-CB 4.06Å; M152-P248 HydrophobicContact CG-CG 3.96Å; M152-P248 HydrophobicContact SD-CG 4.1Å; V243-P248 HydrophobicContact CG1-CG 4.1Å; V243-P248 HydrophobicContact CG2-CG 4.44Å; P248-F251 HydrophobicContact CG-CB 4.39Å; P248-F251 HydrophobicContact CG-CD1 3.88Å; P248-F251 HydrophobicContact CG-CG 4.45Å; P248-F276 HydrophobicContact CG-CE1 4.42Å; P248-F276 HydrophobicContact CG-CZ 4.13Å; P248-F276 VanDerWaalsContact O-CE1 3.3Å; P248-F276 WeakPolarHBondContact O-CE1 3.39Å; P248-F276 WeakPolarHBondContact O-CZ 3.33Å
249G98.6Very high96.8Very high16 Ų1633 Ų3317%0.16515%0.154CC..SBendtrans-75-34.7166.800000112S153 E154 K298S153-G249 PolarHBondContact O-N 3.45Å; E154-G249 WeakPolarHBondContact O-CA 3.39Å; E154-G249 PolarHBondContact O-N 2.91Å; G249-K298 VanDerWaalsContact O-CB 3.3Å; G249-K298 WeakPolarHBondContact O-CB 3.34Å; G249-K298 PolarHBondContact O-N 2.85Å
250K98.6Very high96.3Very high54 Ų5435.3 Ų35.324%0.23517%0.17CC..EExtended strand (participates in β ladder)trans-150.4155.617370.1-171.5-174-157.80111.5D126 S153 E154 F296 A297D126-K250 WeakPolarHBondContact OD2-CE 3.41Å; D126-K250 IonicContact OD2-NZ 3.54Å; S153-K250 PolarHBondContact N-O 3Å; S153-K250 PolarHBondContact O-N 3.15Å; S153-K250 VanDerWaalsContact O-O 3.14Å; E154-K250 WeakPolarHBondContact OE1-CD 3.41Å; E154-K250 WeakPolarHBondContact OE1-CE 3.32Å; E154-K250 IonicContact OE1-NZ 3.89Å; E154-K250 PolarHBondContact OE1-NZ 2.55Å; K250-F296 WeakPolarHBondContact CA-O 3.46Å; K250-F296 WeakPolarHBondContact CB-O 3.42Å; K250-A297 HydrophobicContact CB-CB 4.42Å
251F98.8Very high95.9Very high4 Ų432.2 Ų32.22%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-156.9159.4175.467.6-85.2000111.7I150 L151 M152 I239 V243 P248 T253 I273 F276 F296I150-F251 HydrophobicContact CG2-CD2 3.98Å; L151-F251 CarbonylContact O-C 3.54Å; L151-F251 WeakPolarHBondContact O-CA 3.47Å; L151-F251 WeakPolarHBondContact O-CB 3.47Å; M152-F251 HydrophobicContact CB-CB 4.33Å; M152-F251 HydrophobicContact CG-CB 3.71Å; I239-F251 HydrophobicContact CG2-CE2 4.02Å; I239-F251 HydrophobicContact CG2-CZ 4.38Å; V243-F251 HydrophobicContact CG1-CE1 4.19Å; V243-F251 HydrophobicContact CG2-CD1 4.15Å; V243-F251 HydrophobicContact CG2-CD2 4.41Å; V243-F251 HydrophobicContact CG2-CE1 3.8Å; V243-F251 HydrophobicContact CG2-CE2 4.09Å; V243-F251 HydrophobicContact CG2-CG 4.45Å; V243-F251 HydrophobicContact CG2-CZ 3.78Å; P248-F251 HydrophobicContact CG-CB 4.39Å; P248-F251 HydrophobicContact CG-CD1 3.88Å; P248-F251 HydrophobicContact CG-CG 4.45Å; F251-T253 HydrophobicContact CD2-CG2 3.97Å; F251-T253 HydrophobicContact CE2-CG2 3.85Å; F251-I273 HydrophobicContact CZ-CB 4.35Å; F251-I273 HydrophobicContact CZ-CG1 4.12Å; F251-I273 HydrophobicContact CZ-CG2 4.26Å; F251-F276 AromaticContact CD1-CD1 3.95Å; F251-F276 HydrophobicContact CD1-CD1 3.95Å; F251-F276 AromaticContact CD1-CE1 3.75Å; F251-F276 HydrophobicContact CD1-CE1 3.75Å; F251-F276 HydrophobicContact CD1-CZ 4.29Å; F251-F276 HydrophobicContact CE1-CB 4.48Å; F251-F276 AromaticContact CE1-CD1 3.47Å; F251-F276 HydrophobicContact CE1-CD1 3.47Å; F251-F276 VanDerWaalsContact CE1-CD1 3.47Å; F251-F276 HydrophobicContact CE1-CD2 4.1Å; F251-F276 AromaticContact CE1-CE1 3.59Å; F251-F276 HydrophobicContact CE1-CE1 3.59Å; F251-F276 HydrophobicContact CE1-CE2 4.22Å; F251-F276 AromaticContact CE1-CG 3.75Å; F251-F276 HydrophobicContact CE1-CG 3.75Å; F251-F276 AromaticContact CE1-CZ 3.97Å; F251-F276 HydrophobicContact CE1-CZ 3.97Å; F251-F296 HydrophobicContact CD1-CB 3.97Å; F251-F296 HydrophobicContact CD2-CB 4.45Å; F251-F296 HydrophobicContact CD2-CD2 4.04Å; F251-F296 HydrophobicContact CE1-CB 3.6Å; F251-F296 HydrophobicContact CE1-CD2 4.33Å; F251-F296 HydrophobicContact CE1-CG 4.08Å; F251-F296 HydrophobicContact CE2-CB 4.11Å; F251-F296 AromaticContact CE2-CD2 3.34Å; F251-F296 HydrophobicContact CE2-CD2 3.34Å; F251-F296 AromaticContact CE2-CE2 3.94Å; F251-F296 HydrophobicContact CE2-CE2 3.94Å; F251-F296 AromaticContact CE2-CG 3.94Å; F251-F296 HydrophobicContact CE2-CG 3.94Å; F251-F296 HydrophobicContact CG-CB 4.38Å; F251-F296 HydrophobicContact CZ-CB 3.66Å; F251-F296 HydrophobicContact CZ-CD1 4.38Å; F251-F296 AromaticContact CZ-CD2 3.51Å; F251-F296 HydrophobicContact CZ-CD2 3.51Å; F251-F296 HydrophobicContact CZ-CE2 4.19Å; F251-F296 AromaticContact CZ-CG 3.61Å; F251-F296 HydrophobicContact CZ-CG 3.61Å; F251-F296 PolarHBondContact N-O 2.69Å; F251-F296 PolarHBondContact O-N 2.84Å
252V98.7Very high95.4Very high1 Ų134 Ų341%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-118.7153.8168.9-580000110.1K86 D126 I150 L151 F293 T294K86-V252 HydrophobicContact CD-CG2 4.13Å; D126-V252 HydrophobicContact CB-CG1 4.13Å; I150-V252 WeakPolarHBondContact CA-O 3.24Å; L151-V252 HydrophobicContact CB-CG2 3.78Å; L151-V252 HydrophobicContact CD1-CG2 4.11Å; L151-V252 HydrophobicContact CG-CG2 4.28Å; L151-V252 PolarHBondContact N-O 3.4Å; L151-V252 PolarHBondContact O-N 2.89Å; V252-F293 HydrophobicContact CB-CE2 3.75Å; V252-F293 HydrophobicContact CB-CZ 4.08Å; V252-F293 HydrophobicContact CG1-CE2 3.89Å; V252-F293 HydrophobicContact CG1-CZ 3.74Å; V252-F293 HydrophobicContact CG2-CE2 4.18Å; V252-T294 CarbonylContact C-O 3.25Å; V252-T294 WeakPolarHBondContact CA-O 3.15Å
253T98.4Very high94.7Very high0 Ų034.6 Ų34.60%017%0.172CC..EExtended strand (participates in β ladder)trans-120.8142.3170.762.40000110.1E149 I150 I239 F251 Q271 F293 T294E149-T253 VanDerWaalsContact O-CA 3.23Å; E149-T253 WeakPolarHBondContact O-CA 3.43Å; I150-T253 HydrophobicContact CG1-CG2 4.2Å; I150-T253 HydrophobicContact CG2-CG2 4.41Å; I239-T253 HydrophobicContact CD1-CG2 4.22Å; I239-T253 HydrophobicContact CG1-CG2 4.45Å; I239-T253 HydrophobicContact CG2-CG2 4.37Å; F251-T253 HydrophobicContact CD2-CG2 3.97Å; F251-T253 HydrophobicContact CE2-CG2 3.85Å; T253-Q271 PolarHBondContact OG1-OE1 3.48Å; T253-F293 WeakPolarHBondContact O-CA 3.31Å; T253-T294 PolarHBondContact N-O 3.26Å; T253-T294 PolarHBondContact O-N 2.73Å; T253-T294 WeakPolarHBondContact OG1-CB 3.44Å
254T97.9Very high93.3Very high1 Ų144.6 Ų44.61%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-123.7135.1169.460.80000107.9W128 L148 E149 F291 V292 F293W128-T254 HydrophobicContact CB-CG2 4.4Å; W128-T254 HydrophobicContact CD2-CG2 3.78Å; W128-T254 HydrophobicContact CE3-CG2 4.37Å; W128-T254 HydrophobicContact CG-CG2 3.77Å; W128-T254 HydrophobicContact CZ2-CG2 4.28Å; L148-T254 CarbonylContact C-O 3.54Å; L148-T254 WeakPolarHBondContact CA-O 3.25Å; E149-T254 VanDerWaalsContact CB-OG1 3.22Å; E149-T254 WeakPolarHBondContact CB-OG1 3.38Å; E149-T254 WeakPolarHBondContact CG-OG1 3.26Å; E149-T254 PolarHBondContact N-O 2.96Å; E149-T254 PolarHBondContact O-N 2.78Å; E149-T254 PolarHBondContact OE2-OG1 3.16Å; T254-F291 HydrophobicContact CG2-CE2 4.32Å; T254-F291 HydrophobicContact CG2-CZ 4.06Å; T254-V292 CarbonylContact C-O 3.49Å; T254-V292 WeakPolarHBondContact CA-O 3.38Å; T254-F293 HydrophobicContact CG2-CD2 4.16Å
255L96.7Very high91.3Very high5 Ų541.3 Ų41.33%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-139.2111.8-177.5177.157.8000110.1T147 L148 Y235 V257 V266 F291 V292T147-L255 WeakPolarHBondContact O-CA 3.47Å; L148-L255 HydrophobicContact CB-CD1 4.18Å; L148-L255 HydrophobicContact CD1-CB 4.35Å; Y235-L255 HydrophobicContact CD2-CD1 3.8Å; Y235-L255 HydrophobicContact CD2-CD2 3.62Å; Y235-L255 HydrophobicContact CD2-CG 4.41Å; Y235-L255 HydrophobicContact CE2-CD1 3.49Å; Y235-L255 VanDerWaalsContact CE2-CD1 3.49Å; Y235-L255 HydrophobicContact CE2-CD2 4.06Å; Y235-L255 HydrophobicContact CE2-CG 4.45Å; L255-V257 HydrophobicContact CD1-CG2 3.81Å; L255-V257 HydrophobicContact CD2-CG2 4.27Å; L255-V257 HydrophobicContact CG-CG2 3.81Å; L255-V266 HydrophobicContact CD2-CG2 3.46Å; L255-V266 VanDerWaalsContact CD2-CG2 3.46Å; L255-V266 HydrophobicContact CG-CG2 4.16Å; L255-F291 CarbonylContact O-C 3.59Å; L255-F291 VanDerWaalsContact O-CA 3.3Å; L255-F291 WeakPolarHBondContact O-CA 3.22Å; L255-V292 PolarHBondContact N-O 2.84Å; L255-V292 PolarHBondContact O-N 2.85Å
256F94.4Very high89.2Confident19 Ų1941 Ų418%0.08320%0.195CC..EExtended strand (participates in β ladder)trans-93134.5167.6-76.1-94.2000109.7F82 W128 L130 Q146 T147 F286 Y289 F291F82-F256 HydrophobicContact CD1-CE1 4.24Å; F82-F256 HydrophobicContact CD1-CZ 4.48Å; F82-F256 HydrophobicContact CE1-CE1 4.12Å; W128-F256 AromaticContact CH2-CE2 3.55Å; W128-F256 HydrophobicContact CH2-CE2 3.55Å; W128-F256 AromaticContact CH2-CZ 3.72Å; W128-F256 HydrophobicContact CH2-CZ 3.72Å; W128-F256 HydrophobicContact CZ2-CE2 4.15Å; W128-F256 HydrophobicContact CZ3-CE2 4.4Å; W128-F256 HydrophobicContact CZ3-CZ 4.35Å; L130-F256 HydrophobicContact CD1-CZ 4.19Å; L130-F256 HydrophobicContact CD2-CE1 4.3Å; L130-F256 HydrophobicContact CD2-CZ 3.89Å; Q146-F256 CarbonylContact C-O 3.55Å; Q146-F256 WeakPolarHBondContact CA-O 3.3Å; Q146-F256 WeakPolarHBondContact CB-O 3.02Å; T147-F256 PolarHBondContact N-O 2.83Å; T147-F256 PolarHBondContact O-N 3.24Å; F256-F286 AromaticContact CE1-CD2 3.79Å; F256-F286 HydrophobicContact CE1-CD2 3.79Å; F256-F286 HydrophobicContact CE1-CE2 4.18Å; F256-F286 HydrophobicContact CZ-CD2 4.47Å; F256-F286 HydrophobicContact CZ-CE2 4.43Å; F256-Y289 HydrophobicContact CB-CD1 3.99Å; F256-Y289 HydrophobicContact CD1-CD1 4.21Å; F256-Y289 HydrophobicContact CD1-CG 4.22Å; F256-F291 HydrophobicContact CD1-CB 4.47Å; F256-F291 AromaticContact CD1-CD2 3.99Å; F256-F291 HydrophobicContact CD1-CD2 3.99Å; F256-F291 AromaticContact CD2-CD2 3.63Å; F256-F291 HydrophobicContact CD2-CD2 3.63Å; F256-F291 AromaticContact CD2-CE2 3.9Å; F256-F291 HydrophobicContact CD2-CE2 3.9Å; F256-F291 HydrophobicContact CE1-CB 4.4Å; F256-F291 AromaticContact CE1-CD2 3.73Å; F256-F291 HydrophobicContact CE1-CD2 3.73Å; F256-F291 HydrophobicContact CE1-CE2 4.49Å; F256-F291 HydrophobicContact CE1-CG 4.42Å; F256-F291 AromaticContact CE2-CD2 3.35Å; F256-F291 HydrophobicContact CE2-CD2 3.35Å; F256-F291 AromaticContact CE2-CE2 3.38Å; F256-F291 HydrophobicContact CE2-CE2 3.38Å; F256-F291 AromaticContact CG-CD2 3.94Å; F256-F291 HydrophobicContact CG-CD2 3.94Å; F256-F291 AromaticContact CZ-CD2 3.4Å; F256-F291 HydrophobicContact CZ-CD2 3.4Å; F256-F291 AromaticContact CZ-CE2 3.72Å; F256-F291 HydrophobicContact CZ-CE2 3.72Å; F256-F291 HydrophobicContact CZ-CG 4.36Å
257V92.9Very high87.1Confident5 Ų547.1 Ų47.13%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-142.9120.1176.7178.60000109Q146 L255 S261 C263 V266 N290Q146-V257 HydrophobicContact CB-CG2 4.17Å; L255-V257 HydrophobicContact CD1-CG2 3.81Å; L255-V257 HydrophobicContact CD2-CG2 4.27Å; L255-V257 HydrophobicContact CG-CG2 3.81Å; V257-S261 VanDerWaalsContact CG1-CB 3.48Å; V257-C263 HydrophobicContact CG1-CB 3.85Å; V257-C263 HydrophobicContact CG2-CB 3.92Å; V257-V266 HydrophobicContact CB-CG2 4.38Å; V257-V266 HydrophobicContact CG2-CG2 3.68Å; V257-N290 PolarHBondContact N-O 3.12Å; V257-N290 PolarHBondContact O-N 2.79Å
258N90Very high85Confident3 Ų346.8 Ų46.82%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-83.4170.1173.377.81.6000112.5I141 Q143 D145 S260 S261 D288 Y289I141-N258 WeakPolarHBondContact CG2-ND2 3.33Å; Q143-N258 PolarHBondContact O-ND2 3.16Å; D145-N258 PolarHBondContact N-ND2 2.99Å; D145-N258 PolarHBondContact N-OD1 3.06Å; D145-N258 PolarHBondContact O-N 3.25Å; D145-N258 PolarHBondContact O-OD1 3.04Å; N258-S260 PolarHBondContact ND2-OG 3.36Å; N258-S260 PolarHBondContact O-N 2.86Å; N258-S260 PolarHBondContact OD1-N 2.85Å; N258-S260 PolarHBondContact OD1-OG 2.82Å; N258-S261 WeakPolarHBondContact O-CB 3.41Å; N258-S261 PolarHBondContact O-N 2.64Å; N258-S261 PolarHBondContact OD1-N 2.76Å; N258-D288 VanDerWaalsContact CA-O 3.31Å; N258-D288 WeakPolarHBondContact CA-O 3.43Å; N258-D288 WeakPolarHBondContact CB-O 3.32Å; N258-Y289 HydrophobicContact CB-CD1 3.85Å; N258-Y289 HydrophobicContact CB-CE1 3.78Å; N258-Y289 HydrophobicContact CB-CG 4.36Å
259Q85.9Confident83Confident153 Ų15349.5 Ų49.572%0.71526%0.261SS*.THydrogen-bonded Turntrans-61.6-26.5-174.4-61.7-174.6-2.400114.7
260S87.1Confident81.6Confident50 Ų5051.3 Ų51.335%0.3527%0.27SS..THydrogen-bonded Turntrans-91.7-7.9-177.851.60000113.3I141 Q143 P144 N258I141-S260 PolarHBondContact O-OG 2.93Å; Q143-S260 VanDerWaalsContact C-OG 3.27Å; Q143-S260 PolarHBondContact O-OG 2.82Å; P144-S260 VanDerWaalsContact CA-OG 3.31Å; P144-S260 WeakPolarHBondContact CA-OG 3.49Å; P144-S260 WeakPolarHBondContact CB-O 3.17Å; N258-S260 PolarHBondContact ND2-OG 3.36Å; N258-S260 PolarHBondContact O-N 2.86Å; N258-S260 PolarHBondContact OD1-N 2.85Å; N258-S260 PolarHBondContact OD1-OG 2.82Å
261S87.9Confident80.5Confident14 Ų1449.5 Ų49.510%0.09826%0.262CS..SBendtrans-63.3150.3177.4-176.50000112.8Q146 V257 N258 C263Q146-S261 PolarHBondContact OE1-OG 2.84Å; V257-S261 VanDerWaalsContact CG1-CB 3.48Å; N258-S261 WeakPolarHBondContact O-CB 3.41Å; N258-S261 PolarHBondContact O-N 2.64Å; N258-S261 PolarHBondContact OD1-N 2.76Å; S261-C263 PolarHBondContact O-N 3.34Å; S261-C263 PolarHBondContact OG-N 2.99Å
262K87.4Confident79.8Confident145 Ų14556.8 Ų56.863%0.6329%0.294SS*.SBendtrans-72.2-14.6173.6-63179.1-177.81750112.8R264K262-R264 PolarHBondContact O-N 2.92Å
263C84.8Confident79.5Confident11 Ų1157.2 Ų57.27%0.07430%0.296CS..  trans-74.6107.3-177.1-164.70000110.3Q232 Y235 V257 S261Q232-C263 VanDerWaalsContact O-CA 3.25Å; Q232-C263 WeakPolarHBondContact O-CA 3.44Å; Q232-C263 VanDerWaalsContact O-CB 3.26Å; Q232-C263 WeakPolarHBondContact O-CB 3.25Å; Y235-C263 HydrophobicContact CE2-CB 4.33Å; V257-C263 HydrophobicContact CG1-CB 3.85Å; V257-C263 HydrophobicContact CG2-CB 3.92Å; S261-C263 PolarHBondContact O-N 3.34Å; S261-C263 PolarHBondContact OG-N 2.99Å
264R67.4Low79.2Confident218 Ų21865.1 Ų65.182%0.82333%0.333SS*.  trans-101.2-15.9-178.7-63.3-176.8-178.2-157.1-0.7113.2K262 V266K262-R264 PolarHBondContact O-N 2.92Å; R264-V266 PolarHBondContact O-N 3.43Å
265T56.8Low79Confident42 Ų4266.9 Ų66.926%0.25835%0.351SS..G310 helixtrans-79.2-18.8-164.1-45.70000113.4T233 L267 A268 S269T233-T265 PolarHBondContact O-OG1 3.06Å; T265-L267 PolarHBondContact O-N 2.85Å; T265-A268 PolarHBondContact O-N 3.24Å; T265-A268 VanDerWaalsContact O-N 3.1Å; T265-S269 PolarHBondContact O-N 3.01Å
266V55.6Low79.1Confident24 Ų2467.7 Ų67.715%0.14536%0.355CS..G310 helixtrans-55.7-29.9-173.9-176.90000113.6L255 V257 R264 V292L255-V266 HydrophobicContact CD2-CG2 3.46Å; L255-V266 VanDerWaalsContact CD2-CG2 3.46Å; L255-V266 HydrophobicContact CG-CG2 4.16Å; V257-V266 HydrophobicContact CB-CG2 4.38Å; V257-V266 HydrophobicContact CG2-CG2 3.68Å; R264-V266 PolarHBondContact O-N 3.43Å; V266-V292 HydrophobicContact CG1-CB 3.88Å; V266-V292 HydrophobicContact CG1-CG2 3.16Å
267L54.2Low79.2Confident127 Ų12773.1 Ų73.167%0.66538%0.378SS*.G310 helixtrans-102.4-12.9-177.3-62.5172000114T265T265-L267 PolarHBondContact O-N 2.85Å
268A53.3Low79.3Confident89 Ų8977.9 Ų77.974%0.73640%0.396SS*.THydrogen-bonded Turntrans-104.3-33.5-165.800000114.4T265T265-A268 PolarHBondContact O-N 3.24Å; T265-A268 VanDerWaalsContact O-N 3.1Å
269S57.6Low79.6Confident58 Ų5880.3 Ų80.341%0.40641%0.408SS..SBendtrans-150129.4176.4177.30000110.6T265T265-S269 PolarHBondContact O-N 3.01Å
270P69.6Low80.1Confident54 Ų5474.4 Ų74.435%0.35138%0.382SS..  trans-72.3144.1178.632.9-37.2000110.8
271Q75.5Confident80.5Confident16 Ų1674.3 Ų74.38%0.07538%0.381CS..  trans-52.7135.5-175.8-67.1171.2-6.400111.7I239 T253 F296I239-Q271 HydrophobicContact CD1-CG 4.32Å; T253-Q271 PolarHBondContact OG1-OE1 3.48Å; Q271-F296 HydrophobicContact CB-CE2 4.45Å; Q271-F296 HydrophobicContact CB-CZ 3.86Å
272K84.6Confident80.8Confident157 Ų15777 Ų7768%0.68339%0.391SS*.  trans-124.5114.2175.9-68.3-179.6-175.71740109.2
273I91.6Very high81.1Confident10 Ų1073.6 Ų73.65%0.05139%0.386CS..  trans-113.3122.4178.8-53.7-59.6000108.5I239 V243 F251 F276 F296I239-I273 HydrophobicContact CB-CD1 4Å; I239-I273 HydrophobicContact CG2-CD1 3.54Å; I239-I273 HydrophobicContact CG2-CG1 3.93Å; V243-I273 HydrophobicContact CG1-CG2 4.48Å; F251-I273 HydrophobicContact CZ-CB 4.35Å; F251-I273 HydrophobicContact CZ-CG1 4.12Å; F251-I273 HydrophobicContact CZ-CG2 4.26Å; I273-F276 HydrophobicContact CB-CB 4.43Å; I273-F276 HydrophobicContact CG2-CD2 3.84Å; I273-F276 HydrophobicContact CG2-CG 4.48Å; I273-F276 PolarHBondContact O-N 3.25Å; I273-F296 HydrophobicContact CB-CE1 4.4Å; I273-F296 HydrophobicContact CG1-CE1 4.21Å; I273-F296 HydrophobicContact CG1-CE2 4.5Å; I273-F296 HydrophobicContact CG1-CZ 4.08Å
274E92Very high81.5Confident167 Ų16774.2 Ų74.278%0.7839%0.392SS*.THydrogen-bonded Turntrans-60.4142.7179.4-173.4174177.400110.8F276E274-F276 WeakPolarHBondContact O-CD2 3.42Å; E274-F276 PolarHBondContact O-N 3.29Å
275G94.7Very high82.6Confident37 Ų3770.6 Ų70.638%0.38139%0.386SS..THydrogen-bonded Turntrans76.9-8.4-175.900000115.3K299G275-K299 WeakPolarHBondContact O-CB 3.44Å; G275-K299 PolarHBondContact O-N 3.49Å
276F97Very high84.2Confident23 Ų2368.9 Ų68.910%0.10138%0.375CS..EExtended strand (participates in β ladder)trans-115.9146.9179.5-69.8-98000112.7V243 P248 F251 I273 E274 F296 A297 K298 K299V243-F276 HydrophobicContact CG1-CD2 4.17Å; V243-F276 HydrophobicContact CG1-CE2 3.32Å; V243-F276 HydrophobicContact CG1-CZ 3.61Å; P248-F276 HydrophobicContact CG-CE1 4.42Å; P248-F276 HydrophobicContact CG-CZ 4.13Å; P248-F276 VanDerWaalsContact O-CE1 3.3Å; P248-F276 WeakPolarHBondContact O-CE1 3.39Å; P248-F276 WeakPolarHBondContact O-CZ 3.33Å; F251-F276 AromaticContact CD1-CD1 3.95Å; F251-F276 HydrophobicContact CD1-CD1 3.95Å; F251-F276 AromaticContact CD1-CE1 3.75Å; F251-F276 HydrophobicContact CD1-CE1 3.75Å; F251-F276 HydrophobicContact CD1-CZ 4.29Å; F251-F276 HydrophobicContact CE1-CB 4.48Å; F251-F276 AromaticContact CE1-CD1 3.47Å; F251-F276 HydrophobicContact CE1-CD1 3.47Å; F251-F276 VanDerWaalsContact CE1-CD1 3.47Å; F251-F276 HydrophobicContact CE1-CD2 4.1Å; F251-F276 AromaticContact CE1-CE1 3.59Å; F251-F276 HydrophobicContact CE1-CE1 3.59Å; F251-F276 HydrophobicContact CE1-CE2 4.22Å; F251-F276 AromaticContact CE1-CG 3.75Å; F251-F276 HydrophobicContact CE1-CG 3.75Å; F251-F276 AromaticContact CE1-CZ 3.97Å; F251-F276 HydrophobicContact CE1-CZ 3.97Å; I273-F276 HydrophobicContact CB-CB 4.43Å; I273-F276 HydrophobicContact CG2-CD2 3.84Å; I273-F276 HydrophobicContact CG2-CG 4.48Å; I273-F276 PolarHBondContact O-N 3.25Å; E274-F276 WeakPolarHBondContact O-CD2 3.42Å; E274-F276 PolarHBondContact O-N 3.29Å; F276-F296 HydrophobicContact CB-CB 4.22Å; F276-F296 HydrophobicContact CB-CD1 4.09Å; F276-F296 HydrophobicContact CD1-CB 4.22Å; F276-A297 CarbonylContact C-O 3.58Å; F276-A297 WeakPolarHBondContact CA-O 3.45Å; F276-A297 VanDerWaalsContact CD1-C 3.49Å; F276-K298 HydrophobicContact CD1-CB 4.2Å; F276-K298 HydrophobicContact CE1-CB 3.91Å; F276-K298 HydrophobicContact CE1-CG 4.47Å; F276-K298 HydrophobicContact CZ-CB 4.45Å; F276-K299 VanDerWaalsContact O-CE 3.24Å; F276-K299 WeakPolarHBondContact O-CE 3.5Å
277K96.6Very high85.6Confident133 Ų13371.4 Ų71.458%0.57839%0.388SS*.EExtended strand (participates in β ladder)trans-96.2124.7167.7179.6-177.8177.3-1780108L279 F296 A297 K299K277-L279 HydrophobicContact CD-CD2 4.17Å; K277-L279 HydrophobicContact CG-CD2 4.27Å; K277-L279 PolarHBondContact O-N 2.96Å; K277-F296 WeakPolarHBondContact O-CA 3.43Å; K277-A297 PolarHBondContact N-O 3.41Å; K277-A297 PolarHBondContact O-N 3.38Å; K277-K299 HydrophobicContact CB-CG 4.26Å
278R96.1Very high87Confident105 Ų10566.4 Ų66.440%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-70.6123.1168.5-164.5-178.476.4-146.49.6109.3T294 S295 F296R278-T294 HydrophobicContact CG-CG2 3.58Å; R278-S295 CarbonylContact C-O 3.58Å; R278-S295 WeakPolarHBondContact CA-O 3.32Å; R278-F296 HydrophobicContact CB-CD1 3.97Å; R278-F296 HydrophobicContact CB-CE1 3.72Å; R278-F296 HydrophobicContact CB-CZ 4.5Å; R278-F296 HydrophobicContact CG-CD1 4.25Å; R278-F296 HydrophobicContact CG-CE1 3.84Å; R278-F296 HydrophobicContact CG-CZ 4.15Å
279L96.4Very high88.8Confident53 Ų5362.6 Ų62.628%0.27733%0.329SS..EExtended strand (participates in β ladder)trans-90.3-45179.3-58.8-175000111.3R122 K277 S295 A297R122-L279 PolarHBondContact NH2-O 2.91Å; K277-L279 HydrophobicContact CD-CD2 4.17Å; K277-L279 HydrophobicContact CG-CD2 4.27Å; K277-L279 PolarHBondContact O-N 2.96Å; L279-S295 PolarHBondContact N-O 3.18Å; L279-A297 HydrophobicContact CD1-CB 3.83Å; L279-A297 HydrophobicContact CD2-CB 4.33Å; L279-A297 HydrophobicContact CG-CB 4.2Å
280D95.9Very high90.4Very high30 Ų3061.4 Ų61.416%0.1632%0.317CS..EExtended strand (participates in β ladder)trans-145.3153.7-176.2-55.9-75.3000110.4R122 T294 S295R122-D280 WeakPolarHBondContact CD-OD2 3.35Å; R122-D280 WeakPolarHBondContact CG-OD2 3.2Å; R122-D280 IonicContact CZ-OD1 2.72Å; R122-D280 IonicContact CZ-OD2 2.84Å; R122-D280 VanDerWaalsContact CZ-OD2 3.27Å; R122-D280 IonicContact NE-OD1 2.99Å; R122-D280 PolarHBondContact NE-OD1 3.38Å; R122-D280 IonicContact NE-OD2 3.86Å; R122-D280 PolarHBondContact NE-OD2 2.77Å; R122-D280 IonicContact NH2-OD1 2.9Å; R122-D280 PolarHBondContact NH2-OD1 2.81Å; R122-D280 VanDerWaalsContact NH2-OD1 3.09Å; R122-D280 IonicContact NH2-OD2 3.8Å; R122-D280 PolarHBondContact NH2-OD2 3.34Å; D280-T294 WeakPolarHBondContact O-CA 3.38Å; D280-T294 VanDerWaalsContact O-CG2 3.31Å; D280-T294 WeakPolarHBondContact O-CG2 3.38Å; D280-S295 PolarHBondContact O-N 2.79Å
281C95.5Very high91.5Very high48 Ų4858.9 Ų58.932%0.32430%0.301SS..EExtended strand (participates in β ladder)trans-148.6116.9172.9-173.40000106.9F293 T294C281-F293 CarbonylContact C-O 3.46Å; C281-F293 WeakPolarHBondContact CA-O 3.27Å; C281-T294 HydrophobicContact CB-CG2 4.49Å
282Q95Very high92.5Very high69 Ų6958.6 Ų58.632%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-127.4136.7179.2-69.3-178.73.600109M120 G121 V292 F293M120-Q282 HydrophobicContact SD-CB 4.34Å; G121-Q282 VanDerWaalsContact N-CD 3.35Å; G121-Q282 PolarHBondContact O-NE2 2.94Å; Q282-V292 WeakPolarHBondContact O-CA 3.47Å; Q282-F293 PolarHBondContact N-O 2.79Å; Q282-F293 PolarHBondContact O-N 2.87Å
283S93.6Very high93.1Very high75 Ų7551.1 Ų51.152%0.52427%0.268SS..EExtended strand (participates in β ladder)trans-119.3145177.9-50.50000109.2F291 V292S283-F291 CarbonylContact C-O 3.6Å; S283-F291 VanDerWaalsContact CA-O 3.25Å; S283-F291 WeakPolarHBondContact CA-O 3.38Å; S283-V292 WeakPolarHBondContact OG-CG2 3.44Å
284A92.8Very high93.3Very high24 Ų2450.6 Ų50.620%0.19827%0.265CS..EExtended strand (participates in β ladder)trans-143.2162.3174.800000110.8M120 F286 F291M120-A284 HydrophobicContact CE-CB 3.4Å; M120-A284 VanDerWaalsContact CE-CB 3.4Å; A284-F286 HydrophobicContact CB-CE1 3.86Å; A284-F286 HydrophobicContact CB-CE2 4.12Å; A284-F286 HydrophobicContact CB-CZ 3.67Å; A284-F291 HydrophobicContact CB-CD1 4.46Å; A284-F291 PolarHBondContact N-O 3.2Å; A284-F291 PolarHBondContact O-N 2.87Å
285M91.2Very high93.6Very high141 Ų14142.8 Ų42.870%0.69523%0.229SC*.EExtended strand (participates in β ladder)trans-117.5126172.4-64.4-177.566.800108.1
286F89.1Confident93.8Very high7 Ų741.1 Ų41.13%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-125.297.5179.5-55-52.7000108.6Y118 M120 L130 F256 A284 D288 Y289 F291Y118-F286 AromaticContact CD1-CE1 3.75Å; Y118-F286 HydrophobicContact CD1-CE1 3.75Å; Y118-F286 HydrophobicContact CD1-CZ 4.41Å; Y118-F286 HydrophobicContact CD2-CD1 4.22Å; Y118-F286 AromaticContact CD2-CE1 3.52Å; Y118-F286 HydrophobicContact CD2-CE1 3.52Å; Y118-F286 HydrophobicContact CD2-CZ 4.02Å; Y118-F286 HydrophobicContact CE1-CD1 4.36Å; Y118-F286 AromaticContact CE1-CE1 3.74Å; Y118-F286 HydrophobicContact CE1-CE1 3.74Å; Y118-F286 AromaticContact CE2-CD1 3.79Å; Y118-F286 HydrophobicContact CE2-CD1 3.79Å; Y118-F286 AromaticContact CE2-CE1 3.51Å; Y118-F286 HydrophobicContact CE2-CE1 3.51Å; Y118-F286 HydrophobicContact CE2-CZ 4.41Å; Y118-F286 AromaticContact CG-CE1 3.64Å; Y118-F286 HydrophobicContact CG-CE1 3.64Å; Y118-F286 HydrophobicContact CG-CZ 4.01Å; Y118-F286 AromaticContact CZ-CD1 3.86Å; Y118-F286 AromaticContact CZ-CE1 3.61Å; M120-F286 HydrophobicContact CE-CE1 4.2Å; M120-F286 HydrophobicContact CE-CE2 4.2Å; M120-F286 HydrophobicContact CE-CZ 3.39Å; L130-F286 HydrophobicContact CD2-CD2 3.84Å; L130-F286 HydrophobicContact CD2-CE1 4.22Å; L130-F286 HydrophobicContact CD2-CE2 3.34Å; L130-F286 HydrophobicContact CD2-CG 4.42Å; L130-F286 HydrophobicContact CD2-CZ 3.54Å; F256-F286 AromaticContact CE1-CD2 3.79Å; F256-F286 HydrophobicContact CE1-CD2 3.79Å; F256-F286 HydrophobicContact CE1-CE2 4.18Å; F256-F286 HydrophobicContact CZ-CD2 4.47Å; F256-F286 HydrophobicContact CZ-CE2 4.43Å; A284-F286 HydrophobicContact CB-CE1 3.86Å; A284-F286 HydrophobicContact CB-CE2 4.12Å; A284-F286 HydrophobicContact CB-CZ 3.67Å; F286-D288 PolarHBondContact O-N 3.37Å; F286-Y289 PolarHBondContact N-O 3.45Å; F286-Y289 PolarHBondContact O-N 2.91Å; F286-F291 HydrophobicContact CD2-CB 3.61Å; F286-F291 HydrophobicContact CD2-CG 4.17Å; F286-F291 HydrophobicContact CE2-CB 3.4Å; F286-F291 VanDerWaalsContact CE2-CB 3.4Å; F286-F291 AromaticContact CE2-CD1 3.87Å; F286-F291 HydrophobicContact CE2-CD1 3.87Å; F286-F291 HydrophobicContact CE2-CD2 4.13Å; F286-F291 AromaticContact CE2-CG 3.52Å; F286-F291 HydrophobicContact CE2-CG 3.52Å; F286-F291 HydrophobicContact CZ-CB 4.47Å; F286-F291 HydrophobicContact CZ-CD1 4.43Å; F286-F291 HydrophobicContact CZ-CG 4.49Å
287N84.8Confident93.9Very high76 Ų7641.3 Ų41.341%0.40622%0.217SC..THydrogen-bonded Turntrans49-107.6-177.4-58.6-24.3000111.5L133 D134L133-N287 PolarHBondContact O-ND2 2.85Å; D134-N287 PolarHBondContact OD1-OD1 3.45Å
288D84.8Confident93.9Very high23 Ų2340.6 Ų40.612%0.12321%0.214CC..THydrogen-bonded Turntrans-85.3-5.8-177.7-57.3-61.7000114.6I141 N258 F286I141-D288 HydrophobicContact CD1-CB 3.83Å; I141-D288 HydrophobicContact CG1-CB 4.04Å; N258-D288 VanDerWaalsContact CA-O 3.31Å; N258-D288 WeakPolarHBondContact CA-O 3.43Å; N258-D288 WeakPolarHBondContact CB-O 3.32Å; F286-D288 PolarHBondContact O-N 3.37Å
289Y90Very high93.8Very high9 Ų941.9 Ų41.94%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-113.6132-174.7-70-93.7000112.6F82 I141 D145 F256 N258 F286F82-Y289 HydrophobicContact CE2-CE2 4.37Å; F82-Y289 AromaticContact CZ-CD2 3.96Å; F82-Y289 HydrophobicContact CZ-CD2 3.96Å; F82-Y289 AromaticContact CZ-CE2 3.82Å; F82-Y289 HydrophobicContact CZ-CE2 3.82Å; I141-Y289 HydrophobicContact CD1-CD2 4.3Å; I141-Y289 HydrophobicContact CD1-CE2 3.38Å; D145-Y289 HydrophobicContact CB-CE1 4.43Å; D145-Y289 WeakPolarHBondContact OD2-CE1 3.35Å; D145-Y289 PolarHBondContact OD2-OH 2.99Å; F256-Y289 HydrophobicContact CB-CD1 3.99Å; F256-Y289 HydrophobicContact CD1-CD1 4.21Å; F256-Y289 HydrophobicContact CD1-CG 4.22Å; N258-Y289 HydrophobicContact CB-CD1 3.85Å; N258-Y289 HydrophobicContact CB-CE1 3.78Å; N258-Y289 HydrophobicContact CB-CG 4.36Å; F286-Y289 PolarHBondContact N-O 3.45Å; F286-Y289 PolarHBondContact O-N 2.91Å
290N91.4Very high93.1Very high32 Ų3248.1 Ų48.117%0.17125%0.25CS..EExtended strand (participates in β ladder)trans-82.5139.5156.7-65.7-55.2000108.7V257V257-N290 PolarHBondContact N-O 3.12Å; V257-N290 PolarHBondContact O-N 2.79Å
291F93.7Very high91.4Very high1 Ų155.5 Ų55.50%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-126.8139.5-179.7175-92.2000110.9M120 W128 T254 L255 F256 S283 A284 F286 F293M120-F291 HydrophobicContact CB-CE1 4.24Å; M120-F291 HydrophobicContact CE-CD1 3.92Å; M120-F291 HydrophobicContact CE-CE1 4.04Å; M120-F291 HydrophobicContact CG-CD1 4.38Å; M120-F291 HydrophobicContact CG-CE1 3.57Å; M120-F291 HydrophobicContact CG-CZ 4.22Å; M120-F291 HydrophobicContact SD-CD1 4.36Å; M120-F291 HydrophobicContact SD-CE1 4.02Å; W128-F291 HydrophobicContact CE3-CE2 4.25Å; W128-F291 AromaticContact CE3-CZ 3.73Å; W128-F291 HydrophobicContact CE3-CZ 3.73Å; W128-F291 AromaticContact CH2-CE2 3.8Å; W128-F291 HydrophobicContact CH2-CE2 3.8Å; W128-F291 HydrophobicContact CH2-CZ 4.13Å; W128-F291 HydrophobicContact CZ3-CE1 4.36Å; W128-F291 AromaticContact CZ3-CE2 3.58Å; W128-F291 HydrophobicContact CZ3-CE2 3.58Å; W128-F291 AromaticContact CZ3-CZ 3.46Å; W128-F291 HydrophobicContact CZ3-CZ 3.46Å; W128-F291 VanDerWaalsContact CZ3-CZ 3.46Å; T254-F291 HydrophobicContact CG2-CE2 4.32Å; T254-F291 HydrophobicContact CG2-CZ 4.06Å; L255-F291 CarbonylContact O-C 3.59Å; L255-F291 VanDerWaalsContact O-CA 3.3Å; L255-F291 WeakPolarHBondContact O-CA 3.22Å; F256-F291 HydrophobicContact CD1-CB 4.47Å; F256-F291 AromaticContact CD1-CD2 3.99Å; F256-F291 HydrophobicContact CD1-CD2 3.99Å; F256-F291 AromaticContact CD2-CD2 3.63Å; F256-F291 HydrophobicContact CD2-CD2 3.63Å; F256-F291 AromaticContact CD2-CE2 3.9Å; F256-F291 HydrophobicContact CD2-CE2 3.9Å; F256-F291 HydrophobicContact CE1-CB 4.4Å; F256-F291 AromaticContact CE1-CD2 3.73Å; F256-F291 HydrophobicContact CE1-CD2 3.73Å; F256-F291 HydrophobicContact CE1-CE2 4.49Å; F256-F291 HydrophobicContact CE1-CG 4.42Å; F256-F291 AromaticContact CE2-CD2 3.35Å; F256-F291 HydrophobicContact CE2-CD2 3.35Å; F256-F291 AromaticContact CE2-CE2 3.38Å; F256-F291 HydrophobicContact CE2-CE2 3.38Å; F256-F291 AromaticContact CG-CD2 3.94Å; F256-F291 HydrophobicContact CG-CD2 3.94Å; F256-F291 AromaticContact CZ-CD2 3.4Å; F256-F291 HydrophobicContact CZ-CD2 3.4Å; F256-F291 AromaticContact CZ-CE2 3.72Å; F256-F291 HydrophobicContact CZ-CE2 3.72Å; F256-F291 HydrophobicContact CZ-CG 4.36Å; S283-F291 CarbonylContact C-O 3.6Å; S283-F291 VanDerWaalsContact CA-O 3.25Å; S283-F291 WeakPolarHBondContact CA-O 3.38Å; A284-F291 HydrophobicContact CB-CD1 4.46Å; A284-F291 PolarHBondContact N-O 3.2Å; A284-F291 PolarHBondContact O-N 2.87Å; F286-F291 HydrophobicContact CD2-CB 3.61Å; F286-F291 HydrophobicContact CD2-CG 4.17Å; F286-F291 HydrophobicContact CE2-CB 3.4Å; F286-F291 VanDerWaalsContact CE2-CB 3.4Å; F286-F291 AromaticContact CE2-CD1 3.87Å; F286-F291 HydrophobicContact CE2-CD1 3.87Å; F286-F291 HydrophobicContact CE2-CD2 4.13Å; F286-F291 AromaticContact CE2-CG 3.52Å; F286-F291 HydrophobicContact CE2-CG 3.52Å; F286-F291 HydrophobicContact CZ-CB 4.47Å; F286-F291 HydrophobicContact CZ-CD1 4.43Å; F286-F291 HydrophobicContact CZ-CG 4.49Å; F291-F293 HydrophobicContact CE1-CB 3.65Å; F291-F293 HydrophobicContact CZ-CB 3.99Å
292V95.2Very high89.2Confident10 Ų1062 Ų626%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-132.2130.4169.6171.90000111.1T254 L255 V266 Q282 S283T254-V292 CarbonylContact C-O 3.49Å; T254-V292 WeakPolarHBondContact CA-O 3.38Å; L255-V292 PolarHBondContact N-O 2.84Å; L255-V292 PolarHBondContact O-N 2.85Å; V266-V292 HydrophobicContact CG1-CB 3.88Å; V266-V292 HydrophobicContact CG1-CG2 3.16Å; Q282-V292 WeakPolarHBondContact O-CA 3.47Å; S283-V292 WeakPolarHBondContact OG-CG2 3.44Å
293F97Very high86.6Confident0 Ų067.4 Ų67.40%033%0.334CS..EExtended strand (participates in β ladder)trans-107.1133.7166.9169.5-88.7000109.6M120 W128 V252 T253 T254 C281 Q282 F291M120-F293 HydrophobicContact CB-CB 3.78Å; M120-F293 HydrophobicContact CB-CD1 4.36Å; M120-F293 HydrophobicContact CB-CD2 4.13Å; M120-F293 HydrophobicContact CB-CG 3.84Å; M120-F293 HydrophobicContact CG-CB 4.43Å; W128-F293 HydrophobicContact CB-CD2 3.91Å; W128-F293 HydrophobicContact CB-CE2 3.84Å; V252-F293 HydrophobicContact CB-CE2 3.75Å; V252-F293 HydrophobicContact CB-CZ 4.08Å; V252-F293 HydrophobicContact CG1-CE2 3.89Å; V252-F293 HydrophobicContact CG1-CZ 3.74Å; V252-F293 HydrophobicContact CG2-CE2 4.18Å; T253-F293 WeakPolarHBondContact O-CA 3.31Å; T254-F293 HydrophobicContact CG2-CD2 4.16Å; C281-F293 CarbonylContact C-O 3.46Å; C281-F293 WeakPolarHBondContact CA-O 3.27Å; Q282-F293 PolarHBondContact N-O 2.79Å; Q282-F293 PolarHBondContact O-N 2.87Å; F291-F293 HydrophobicContact CE1-CB 3.65Å; F291-F293 HydrophobicContact CZ-CB 3.99Å
294T97.1Very high83.9Confident0 Ų072.9 Ų72.90%035%0.352CS..EExtended strand (participates in β ladder)trans-133.1139.2173.3-45.60000110.7V252 T253 R278 D280 C281 F296V252-T294 CarbonylContact C-O 3.25Å; V252-T294 WeakPolarHBondContact CA-O 3.15Å; T253-T294 PolarHBondContact N-O 3.26Å; T253-T294 PolarHBondContact O-N 2.73Å; T253-T294 WeakPolarHBondContact OG1-CB 3.44Å; R278-T294 HydrophobicContact CG-CG2 3.58Å; D280-T294 WeakPolarHBondContact O-CA 3.38Å; D280-T294 VanDerWaalsContact O-CG2 3.31Å; D280-T294 WeakPolarHBondContact O-CG2 3.38Å; C281-T294 HydrophobicContact CB-CG2 4.49Å; T294-F296 HydrophobicContact CG2-CD2 3.99Å; T294-F296 HydrophobicContact CG2-CE1 4.34Å; T294-F296 HydrophobicContact CG2-CE2 3.24Å; T294-F296 HydrophobicContact CG2-CZ 3.45Å; T294-F296 VanDerWaalsContact CG2-CZ 3.45Å
295S98.4Very high81.3Confident3 Ų380.5 Ų80.52%0.02140%0.404CS..EExtended strand (participates in β ladder)trans-116.4138.4175.61780000111.1R278 L279 D280R278-S295 CarbonylContact C-O 3.58Å; R278-S295 WeakPolarHBondContact CA-O 3.32Å; L279-S295 PolarHBondContact N-O 3.18Å; D280-S295 PolarHBondContact O-N 2.79Å
296F98.3Very high80.8Confident2 Ų277.5 Ų77.51%0.00939%0.389CS..EExtended strand (participates in β ladder)trans-133.9146-177.8-66.6-87.2000111.8K250 F251 Q271 I273 F276 K277 R278 T294K250-F296 WeakPolarHBondContact CA-O 3.46Å; K250-F296 WeakPolarHBondContact CB-O 3.42Å; F251-F296 HydrophobicContact CD1-CB 3.97Å; F251-F296 HydrophobicContact CD2-CB 4.45Å; F251-F296 HydrophobicContact CD2-CD2 4.04Å; F251-F296 HydrophobicContact CE1-CB 3.6Å; F251-F296 HydrophobicContact CE1-CD2 4.33Å; F251-F296 HydrophobicContact CE1-CG 4.08Å; F251-F296 HydrophobicContact CE2-CB 4.11Å; F251-F296 AromaticContact CE2-CD2 3.34Å; F251-F296 HydrophobicContact CE2-CD2 3.34Å; F251-F296 AromaticContact CE2-CE2 3.94Å; F251-F296 HydrophobicContact CE2-CE2 3.94Å; F251-F296 AromaticContact CE2-CG 3.94Å; F251-F296 HydrophobicContact CE2-CG 3.94Å; F251-F296 HydrophobicContact CG-CB 4.38Å; F251-F296 HydrophobicContact CZ-CB 3.66Å; F251-F296 HydrophobicContact CZ-CD1 4.38Å; F251-F296 AromaticContact CZ-CD2 3.51Å; F251-F296 HydrophobicContact CZ-CD2 3.51Å; F251-F296 HydrophobicContact CZ-CE2 4.19Å; F251-F296 AromaticContact CZ-CG 3.61Å; F251-F296 HydrophobicContact CZ-CG 3.61Å; F251-F296 PolarHBondContact N-O 2.69Å; F251-F296 PolarHBondContact O-N 2.84Å; Q271-F296 HydrophobicContact CB-CE2 4.45Å; Q271-F296 HydrophobicContact CB-CZ 3.86Å; I273-F296 HydrophobicContact CB-CE1 4.4Å; I273-F296 HydrophobicContact CG1-CE1 4.21Å; I273-F296 HydrophobicContact CG1-CE2 4.5Å; I273-F296 HydrophobicContact CG1-CZ 4.08Å; F276-F296 HydrophobicContact CB-CB 4.22Å; F276-F296 HydrophobicContact CB-CD1 4.09Å; F276-F296 HydrophobicContact CD1-CB 4.22Å; K277-F296 WeakPolarHBondContact O-CA 3.43Å; R278-F296 HydrophobicContact CB-CD1 3.97Å; R278-F296 HydrophobicContact CB-CE1 3.72Å; R278-F296 HydrophobicContact CB-CZ 4.5Å; R278-F296 HydrophobicContact CG-CD1 4.25Å; R278-F296 HydrophobicContact CG-CE1 3.84Å; R278-F296 HydrophobicContact CG-CZ 4.15Å; T294-F296 HydrophobicContact CG2-CD2 3.99Å; T294-F296 HydrophobicContact CG2-CE1 4.34Å; T294-F296 HydrophobicContact CG2-CE2 3.24Å; T294-F296 HydrophobicContact CG2-CZ 3.45Å; T294-F296 VanDerWaalsContact CG2-CZ 3.45Å
297A98.1Very high80.3Confident27 Ų2781.2 Ų81.222%0.22341%0.408CS..EExtended strand (participates in β ladder)trans-132.7144.3167.300000110.4K250 F276 K277 L279 K299K250-A297 HydrophobicContact CB-CB 4.42Å; F276-A297 CarbonylContact C-O 3.58Å; F276-A297 WeakPolarHBondContact CA-O 3.45Å; F276-A297 VanDerWaalsContact CD1-C 3.49Å; K277-A297 PolarHBondContact N-O 3.41Å; K277-A297 PolarHBondContact O-N 3.38Å; L279-A297 HydrophobicContact CD1-CB 3.83Å; L279-A297 HydrophobicContact CD2-CB 4.33Å; L279-A297 HydrophobicContact CG-CB 4.2Å; A297-K299 PolarHBondContact O-N 3.15Å
298K96.9Very high80.1Confident118 Ų11881.5 Ų81.551%0.51341%0.408SS..EExtended strand (participates in β ladder)trans-58.7134.6179.8-166.5172.3-176.71760109.6G249 F276 Q300G249-K298 VanDerWaalsContact O-CB 3.3Å; G249-K298 WeakPolarHBondContact O-CB 3.34Å; G249-K298 PolarHBondContact O-N 2.85Å; F276-K298 HydrophobicContact CD1-CB 4.2Å; F276-K298 HydrophobicContact CE1-CB 3.91Å; F276-K298 HydrophobicContact CE1-CG 4.47Å; F276-K298 HydrophobicContact CZ-CB 4.45Å; K298-Q300 PolarHBondContact O-N 3.47Å
299K93.9Very high79.8Confident132 Ų13284.9 Ų84.957%0.57443%0.425SS*.PPolyproline II helixtrans-65.3126.7175.6-68.6177.9-177.1177.30108.1G275 F276 K277 A297 Q301G275-K299 WeakPolarHBondContact O-CB 3.44Å; G275-K299 PolarHBondContact O-N 3.49Å; F276-K299 VanDerWaalsContact O-CE 3.24Å; F276-K299 WeakPolarHBondContact O-CE 3.5Å; K277-K299 HydrophobicContact CB-CG 4.26Å; A297-K299 PolarHBondContact O-N 3.15Å; K299-Q301 PolarHBondContact O-N 3.43Å
300Q83.5Confident79.2Confident184 Ų18489.7 Ų89.786%0.8645%0.449SS*.PPolyproline II helixtrans-67.1133.2168-66.8178.2-1.300108.2K298 Q302K298-Q300 PolarHBondContact O-N 3.47Å; Q300-Q302 PolarHBondContact O-N 2.94Å
301Q60.3Low78.4Confident184 Ų18493.5 Ų93.586%0.8647%0.468SS*.PPolyproline II helixtrans-61.7121.2166.4-76.4179.3-7.200106.8K299 Q303K299-Q301 PolarHBondContact O-N 3.43Å; Q301-Q303 PolarHBondContact O-N 2.79Å
302Q47.7Very low77.3Confident184 Ų184100.1 Ų100.186%0.8650%0.501SS*.  trans-60.3111162.7-77.9177.8-11.900105.8Q300 Q304Q300-Q302 PolarHBondContact O-N 2.94Å; Q302-Q304 VanDerWaalsContact C-N 3.33Å; Q302-Q304 PolarHBondContact O-N 3.03Å
303Q40Very low75.9Confident183 Ų183107.1 Ų107.186%0.85554%0.535SS*.  trans-58107.2160.7-78.7177.1-4.600105.4Q301 S305Q301-Q303 PolarHBondContact O-N 2.79Å; Q303-S305 PolarHBondContact O-N 2.79Å
304Q38Very low74.1Confident191 Ų191116 Ų11689%0.89358%0.579SS**  trans-6596.7160-77.3-179.5-13.400105.3Q302Q302-Q304 VanDerWaalsContact C-N 3.33Å; Q302-Q304 PolarHBondContact O-N 3.03Å
305S37.5Very low72.1Confident184 Ų184126.5 Ų126.5100%1.28763%0.632SS**  trans-62.50162.952.80000110.5Q303Q303-S305 PolarHBondContact O-N 2.79Å

Retrieved 305 of 305 residues in 566.5 ms (Link to these results)

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