X2JJA8_DROME Loading...

Autophagy-related 8a, isoform B

AlphaFold DB , UniProt , Accession X2JJA8, Species DROME (Drosophila melanogaster, Fruit fly), Gene Atg8a, Length 96 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
1M61.8Low92.7Very high202 Ų20259.7 Ų59.7100%0.99528%0.282SS*.  01230-73.3166.615800107.4
2E90.4Very high92.3Very high118 Ų11863.2 Ų63.255%0.55131%0.313SS*.PPolyproline II helixtrans-88.7134.7-177.4-166.3-176.7174.600110.1R4 S28E2-R4 VanDerWaalsContact CD-CZ 3.48Å; E2-R4 VanDerWaalsContact CD-NH1 3.27Å; E2-R4 IonicContact OE1-CZ 2.77Å; E2-R4 IonicContact OE1-NH1 3.49Å; E2-R4 PolarHBondContact OE1-NH1 3.06Å; E2-R4 IonicContact OE1-NH2 3.6Å; E2-R4 PolarHBondContact OE1-NH2 3.4Å; E2-R4 IonicContact OE2-CZ 3.44Å; E2-R4 IonicContact OE2-NH1 3.27Å; E2-R4 IonicContact OE2-NH2 2.76Å; E2-R4 PolarHBondContact OE2-NH2 2.53Å; E2-S28 WeakPolarHBondContact O-CB 3.27Å; E2-S28 PolarHBondContact O-N 3.09Å; E2-S28 PolarHBondContact O-OG 2.99Å
3N95.4Very high91.9Very high84 Ų8470.2 Ų70.245%0.44934%0.341SS..EExtended strand (participates in β ladder)trans-100.4143.6178.3-67.9-33000111L25 V26N3-L25 HydrophobicContact CB-CB 4.32Å; N3-V26 CarbonylContact C-O 3.52Å; N3-V26 VanDerWaalsContact CA-O 3.3Å; N3-V26 WeakPolarHBondContact CA-O 3.31Å
4R96.6Very high91.9Very high32 Ų3265.9 Ų65.912%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-103.4141.9174.3-58.2-54.4177.5-162.9-12.8110.9E2 V6 L25 V26 S28 Y70E2-R4 VanDerWaalsContact CD-CZ 3.48Å; E2-R4 VanDerWaalsContact CD-NH1 3.27Å; E2-R4 IonicContact OE1-CZ 2.77Å; E2-R4 IonicContact OE1-NH1 3.49Å; E2-R4 PolarHBondContact OE1-NH1 3.06Å; E2-R4 IonicContact OE1-NH2 3.6Å; E2-R4 PolarHBondContact OE1-NH2 3.4Å; E2-R4 IonicContact OE2-CZ 3.44Å; E2-R4 IonicContact OE2-NH1 3.27Å; E2-R4 IonicContact OE2-NH2 2.76Å; E2-R4 PolarHBondContact OE2-NH2 2.53Å; R4-V6 HydrophobicContact CB-CG2 4.41Å; R4-L25 WeakPolarHBondContact O-CA 3.43Å; R4-V26 PolarHBondContact N-O 2.91Å; R4-V26 PolarHBondContact O-N 2.96Å; R4-S28 PolarHBondContact NE-OG 2.94Å; R4-S28 VanDerWaalsContact NE-OG 3.13Å; R4-Y70 HydrophobicContact CB-CD2 3.64Å; R4-Y70 HydrophobicContact CB-CE2 4.21Å; R4-Y70 HydrophobicContact CB-CG 3.96Å; R4-Y70 HydrophobicContact CG-CD1 4.36Å; R4-Y70 HydrophobicContact CG-CD2 4.06Å; R4-Y70 HydrophobicContact CG-CG 3.83Å
5K97.8Very high92Very high97 Ų9774.2 Ų74.242%0.42235%0.349SS..EExtended strand (participates in β ladder)trans-84120.6174.7-62177.2-176.1169.40108.6L25 Y70 F79 L80K5-L25 HydrophobicContact CG-CD2 4.01Å; K5-Y70 WeakPolarHBondContact O-CE2 3.47Å; K5-F79 HydrophobicContact CB-CD1 3.51Å; K5-F79 HydrophobicContact CB-CE1 3.64Å; K5-F79 HydrophobicContact CB-CG 4.18Å; K5-F79 HydrophobicContact CB-CZ 4.38Å; K5-F79 HydrophobicContact CD-CD1 4.43Å; K5-F79 HydrophobicContact CD-CE1 3.98Å; K5-F79 HydrophobicContact CD-CE2 4.29Å; K5-F79 HydrophobicContact CD-CZ 3.89Å; K5-F79 HydrophobicContact CG-CE1 4.27Å; K5-L80 PolarHBondContact O-N 2.9Å
6V98.1Very high92.1Very high0 Ų070.5 Ų70.50%033%0.332CS..EExtended strand (participates in β ladder)trans-127131.6-176-173.90000109.2R4 V8 Y24 V26 F35 M66 L80 I82R4-V6 HydrophobicContact CB-CG2 4.41Å; V6-V8 HydrophobicContact CG1-CG2 3.89Å; V6-Y24 PolarHBondContact N-O 2.74Å; V6-Y24 PolarHBondContact O-N 2.76Å; V6-V26 HydrophobicContact CB-CG2 3.98Å; V6-V26 HydrophobicContact CG2-CB 4.06Å; V6-V26 HydrophobicContact CG2-CG2 3.62Å; V6-F35 HydrophobicContact CG1-CE1 4.39Å; V6-F35 HydrophobicContact CG1-CZ 4.4Å; V6-M66 HydrophobicContact CG1-CE 4.3Å; V6-M66 HydrophobicContact CG2-CE 4.01Å; V6-L80 CarbonylContact C-O 3.49Å; V6-L80 WeakPolarHBondContact CA-O 3.35Å; V6-L80 HydrophobicContact CG2-CB 4.38Å; V6-L80 HydrophobicContact CG2-CD2 4.35Å; V6-I82 HydrophobicContact CG1-CD1 3.64Å; V6-I82 HydrophobicContact CG1-CG1 3.89Å
7I98Very high92.3Very high14 Ų1468.4 Ų68.47%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-104.3124.7169.6-67.2176.1000107.8E9 K22 K23 F79 L80 Y81 I82I7-E9 HydrophobicContact CG2-CG 3.85Å; I7-K22 CarbonylContact C-O 3.54Å; I7-K22 VanDerWaalsContact CA-O 3.31Å; I7-K22 WeakPolarHBondContact CA-O 3.4Å; I7-K23 HydrophobicContact CG1-CG 4.26Å; I7-F79 HydrophobicContact CD1-CB 4.15Å; I7-F79 HydrophobicContact CD1-CD1 3.71Å; I7-F79 HydrophobicContact CD1-CE1 4.19Å; I7-F79 HydrophobicContact CD1-CG 3.88Å; I7-F79 HydrophobicContact CG1-CB 4.37Å; I7-F79 HydrophobicContact CG1-CD1 3.63Å; I7-F79 HydrophobicContact CG1-CE1 4.2Å; I7-F79 HydrophobicContact CG1-CG 4.2Å; I7-L80 PolarHBondContact N-O 3.44Å; I7-Y81 HydrophobicContact CB-CD1 3.89Å; I7-Y81 HydrophobicContact CB-CE1 3.99Å; I7-Y81 HydrophobicContact CD1-CD1 4.34Å; I7-Y81 HydrophobicContact CD1-CE1 3.55Å; I7-Y81 HydrophobicContact CG1-CE1 4.31Å; I7-Y81 HydrophobicContact CG2-CD1 3.94Å; I7-Y81 HydrophobicContact CG2-CE1 4.02Å; I7-I82 PolarHBondContact O-N 2.81Å
8V97.6Very high92.4Very high0 Ų070.8 Ų70.80%035%0.348CS..EExtended strand (participates in β ladder)trans-119.2119.1178.7-171.20000108.8V6 L19 K22 Y24 F35 I39 I82 Y84V6-V8 HydrophobicContact CG1-CG2 3.89Å; V8-L19 HydrophobicContact CB-CD1 3.92Å; V8-L19 HydrophobicContact CG1-CD1 3.59Å; V8-K22 PolarHBondContact N-O 3.43Å; V8-K22 WeakPolarHBondContact O-CA 3.06Å; V8-Y24 HydrophobicContact CB-CD2 4.24Å; V8-Y24 HydrophobicContact CB-CE2 3.96Å; V8-Y24 HydrophobicContact CG2-CD2 3.76Å; V8-Y24 HydrophobicContact CG2-CE2 3.92Å; V8-F35 HydrophobicContact CG2-CE1 3.75Å; V8-F35 HydrophobicContact CG2-CZ 3.72Å; V8-I39 HydrophobicContact CG1-CD1 4.32Å; V8-I39 HydrophobicContact CG2-CD1 4.47Å; V8-I82 VanDerWaalsContact CA-O 3.3Å; V8-I82 WeakPolarHBondContact CA-O 3.46Å; V8-I82 HydrophobicContact CG2-CB 4.4Å; V8-Y84 HydrophobicContact CG1-CD1 3.83Å; V8-Y84 HydrophobicContact CG1-CE1 4.38Å
9E96Very high92.6Very high51 Ų5168.2 Ų68.224%0.23834%0.336CS..EExtended strand (participates in β ladder)trans-130.3151178.6-51.5-150.814400112.7I7 K22 I82 A83 Y84 I95I7-E9 HydrophobicContact CG2-CG 3.85Å; E9-K22 HydrophobicContact CG-CD 4.18Å; E9-K22 HydrophobicContact CG-CG 4.45Å; E9-K22 VanDerWaalsContact OE1-CD 3.28Å; E9-K22 WeakPolarHBondContact OE1-CD 3.41Å; E9-K22 WeakPolarHBondContact OE1-CE 3.37Å; E9-K22 IonicContact OE1-NZ 2.74Å; E9-K22 PolarHBondContact OE1-NZ 2.98Å; E9-K22 IonicContact OE2-NZ 3.41Å; E9-K22 PolarHBondContact OE2-NZ 3.13Å; E9-I82 PolarHBondContact N-O 3.47Å; E9-A83 CarbonylContact O-C 3.58Å; E9-A83 VanDerWaalsContact O-CA 3.27Å; E9-A83 WeakPolarHBondContact O-CA 3.44Å; E9-Y84 WeakPolarHBondContact O-CD1 3.24Å; E9-Y84 PolarHBondContact O-N 3.48Å; E9-I95 HydrophobicContact CB-CD1 4.13Å; E9-I95 HydrophobicContact CB-CG2 3.78Å; E9-I95 HydrophobicContact CG-CD1 4.49Å; E9-I95 HydrophobicContact CG-CG2 3.82Å; E9-I95 WeakPolarHBondContact OE2-CG2 3.03Å
10K95Very high92.7Very high59 Ų5970.8 Ų70.826%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-70.4133.6174.3-168170.571.2-172.70109.2A14 I16 D18 Y84K10-A14 HydrophobicContact CD-CB 4.42Å; K10-A14 HydrophobicContact CG-CB 3.92Å; K10-I16 HydrophobicContact CD-CG2 3.78Å; K10-I16 WeakPolarHBondContact CD-O 3.45Å; K10-I16 HydrophobicContact CG-CG2 3.96Å; K10-I16 PolarHBondContact NZ-O 3.27Å; K10-D18 WeakPolarHBondContact CE-OD1 3.3Å; K10-D18 IonicContact NZ-OD1 2.73Å; K10-D18 PolarHBondContact NZ-OD1 2.92Å; K10-D18 IonicContact NZ-OD2 2.91Å; K10-D18 PolarHBondContact NZ-OD2 2.98Å; K10-Y84 HydrophobicContact CB-CD1 4.47Å; K10-Y84 HydrophobicContact CB-CE1 3.75Å; K10-Y84 HydrophobicContact CB-CE2 4.2Å; K10-Y84 HydrophobicContact CD-CE2 4.41Å; K10-Y84 HydrophobicContact CG-CE1 4.44Å; K10-Y84 HydrophobicContact CG-CE2 4.02Å
11A93Very high92.8Very high0 Ų073.8 Ų73.80%036%0.362CS..  trans-60.2139.2171.400000110K13 A14 Y84 M92A11-K13 PolarHBondContact O-N 2.82Å; A11-A14 HydrophobicContact CB-CB 4.16Å; A11-A14 WeakPolarHBondContact O-CB 3.36Å; A11-A14 PolarHBondContact O-N 2.83Å; A11-Y84 WeakPolarHBondContact CB-O 3.28Å; A11-Y84 PolarHBondContact N-O 2.77Å; A11-M92 WeakPolarHBondContact CB-O 3.49Å
12P88.1Confident94.4Very high101 Ų10169 Ų6966%0.65634%0.335SS*.THydrogen-bonded Turntrans-54.2-24.6-171.2-31.635.8000116.9M92P12-M92 WeakPolarHBondContact CD-O 3.31Å
13K86.6Confident94.8Very high154 Ų15470.5 Ų70.567%0.6734%0.34SS*.THydrogen-bonded Turntrans-109.62.4-177.8-63.9-177.2-179.2179.40113.8A11 M92A11-K13 PolarHBondContact O-N 2.82Å; K13-M92 HydrophobicContact CB-CE 4.3Å; K13-M92 HydrophobicContact CB-SD 3.82Å; K13-M92 HydrophobicContact CD-CE 4.21Å; K13-M92 HydrophobicContact CD-SD 4.45Å
14A92.5Very high94.9Very high10 Ų1067.7 Ų67.78%0.08332%0.324CS..  trans-73.1137-176.400000111.5K10 A11 I16 D86K10-A14 HydrophobicContact CD-CB 4.42Å; K10-A14 HydrophobicContact CG-CB 3.92Å; A11-A14 HydrophobicContact CB-CB 4.16Å; A11-A14 WeakPolarHBondContact O-CB 3.36Å; A11-A14 PolarHBondContact O-N 2.83Å; A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 HydrophobicContact CB-CG2 3.78Å; A14-I16 PolarHBondContact O-N 2.82Å; A14-D86 VanDerWaalsContact CA-OD1 3.24Å; A14-D86 WeakPolarHBondContact CA-OD1 3.44Å; A14-D86 WeakPolarHBondContact CB-OD1 3.35Å
15R92.8Very high94.9Very high191 Ų19172.2 Ų72.272%0.72135%0.349SS*.  trans-100.450.4-179.8-66.1177.1-75.6-170.4-8110.5D86 E87R15-D86 PolarHBondContact N-OD1 2.82Å; R15-E87 IonicContact CZ-OE1 3.9Å; R15-E87 IonicContact NH2-OE1 2.83Å; R15-E87 PolarHBondContact NH2-OE1 3.45Å
16I94.2Very high94.9Very high15 Ų1567.8 Ų67.88%0.07733%0.331CS..SBendtrans-126.6156.9-176.3-167.8163.6000110.6K10 A14 I43 L45 L51 Y84 D86K10-I16 HydrophobicContact CD-CG2 3.78Å; K10-I16 WeakPolarHBondContact CD-O 3.45Å; K10-I16 HydrophobicContact CG-CG2 3.96Å; K10-I16 PolarHBondContact NZ-O 3.27Å; A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 HydrophobicContact CB-CG2 3.78Å; A14-I16 PolarHBondContact O-N 2.82Å; I16-I43 HydrophobicContact CD1-CD1 3.72Å; I16-I43 HydrophobicContact CG1-CD1 3.9Å; I16-L45 HydrophobicContact CD1-CD1 3.83Å; I16-L45 HydrophobicContact CD1-CD2 3.96Å; I16-L45 HydrophobicContact CD1-CG 4.5Å; I16-L45 HydrophobicContact CG1-CD1 3.95Å; I16-L51 HydrophobicContact CD1-CD1 3.7Å; I16-Y84 HydrophobicContact CD1-CD2 4.41Å; I16-Y84 HydrophobicContact CG1-CE2 4.44Å; I16-Y84 HydrophobicContact CG2-CD2 3.83Å; I16-Y84 HydrophobicContact CG2-CE2 3.52Å; I16-D86 HydrophobicContact CB-CB 4.27Å
17G94.4Very high94.9Very high35 Ų3570.1 Ų70.136%0.36135%0.346SS..PPolyproline II helixtrans-56.7147.8-179.900000113.5Y84G17-Y84 WeakPolarHBondContact O-CE2 3.4Å; G17-Y84 PolarHBondContact O-OH 2.8Å
18D95.1Very high94.9Very high111 Ų11170.5 Ų70.559%0.59435%0.35SS*.PPolyproline II helixtrans-80.6149.2177.3-71.6-63.8000112.3K10 Y84K10-D18 WeakPolarHBondContact CE-OD1 3.3Å; K10-D18 IonicContact NZ-OD1 2.73Å; K10-D18 PolarHBondContact NZ-OD1 2.92Å; K10-D18 IonicContact NZ-OD2 2.91Å; K10-D18 PolarHBondContact NZ-OD2 2.98Å; D18-Y84 WeakPolarHBondContact CA-OH 3.49Å
19L96Very high94.9Very high21 Ų2174.9 Ų74.911%0.1137%0.373CS..PPolyproline II helixtrans-81.8138.2168-73.3170.4000110.7V8 K21 Y24 I39 R42 I43 Y84V8-L19 HydrophobicContact CB-CD1 3.92Å; V8-L19 HydrophobicContact CG1-CD1 3.59Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 WeakPolarHBondContact CB-O 3.2Å; L19-Y24 HydrophobicContact CD1-CE2 4.45Å; L19-I39 HydrophobicContact CD1-CD1 4.22Å; L19-I39 HydrophobicContact CD1-CG2 4.49Å; L19-I39 HydrophobicContact CD2-CD1 4.28Å; L19-I39 HydrophobicContact CD2-CG2 4.32Å; L19-R42 HydrophobicContact CD2-CB 3.61Å; L19-I43 HydrophobicContact CD2-CG2 3.45Å; L19-I43 VanDerWaalsContact CD2-CG2 3.45Å; L19-I43 HydrophobicContact CG-CG2 3.76Å; L19-Y84 HydrophobicContact CD1-CD1 4.26Å; L19-Y84 HydrophobicContact CD1-CE1 3.64Å; L19-Y84 HydrophobicContact CG-CE1 3.98Å; L19-Y84 PolarHBondContact N-OH 2.9Å
20D93.8Very high95Very high121 Ų12173.9 Ų73.965%0.64737%0.369SS*.SBendtrans-67-31.9171.167.6-42000112.2
21K95Very high95.2Very high133 Ų13373 Ų7358%0.57837%0.369SS*.  trans-131.5139.5179.1-66.2178.4-175179.50110.6L19 Y24L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 WeakPolarHBondContact CB-O 3.2Å; K21-Y24 VanDerWaalsContact O-CE2 3.22Å; K21-Y24 WeakPolarHBondContact O-CE2 3.36Å; K21-Y24 PolarHBondContact O-OH 2.78Å
22K96.7Very high95.5Very high101 Ų10173 Ų7344%0.43937%0.369SS..  trans-103.8-23.6179.1-66171.4153.3-155.80113.5I7 V8 E9 Y24I7-K22 CarbonylContact C-O 3.54Å; I7-K22 VanDerWaalsContact CA-O 3.31Å; I7-K22 WeakPolarHBondContact CA-O 3.4Å; V8-K22 PolarHBondContact N-O 3.43Å; V8-K22 WeakPolarHBondContact O-CA 3.06Å; E9-K22 HydrophobicContact CG-CD 4.18Å; E9-K22 HydrophobicContact CG-CG 4.45Å; E9-K22 VanDerWaalsContact OE1-CD 3.28Å; E9-K22 WeakPolarHBondContact OE1-CD 3.41Å; E9-K22 WeakPolarHBondContact OE1-CE 3.37Å; E9-K22 IonicContact OE1-NZ 2.74Å; E9-K22 PolarHBondContact OE1-NZ 2.98Å; E9-K22 IonicContact OE2-NZ 3.41Å; E9-K22 PolarHBondContact OE2-NZ 3.13Å; K22-Y24 WeakPolarHBondContact O-CD2 3.22Å
23K97.4Very high96Very high151 Ų15169.4 Ų69.466%0.65735%0.35SS*.EExtended strand (participates in β ladder)trans-102.3128.7-176.1-61.8-174.4177.7-175.10111I7I7-K23 HydrophobicContact CG1-CG 4.26Å
24Y97.8Very high96.5Very high24 Ų2466.7 Ų66.79%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-130.9145.3-175.3-63.7-90.1000111.8V6 V8 L19 K21 K22 I39 R42V6-Y24 PolarHBondContact N-O 2.74Å; V6-Y24 PolarHBondContact O-N 2.76Å; V8-Y24 HydrophobicContact CB-CD2 4.24Å; V8-Y24 HydrophobicContact CB-CE2 3.96Å; V8-Y24 HydrophobicContact CG2-CD2 3.76Å; V8-Y24 HydrophobicContact CG2-CE2 3.92Å; L19-Y24 HydrophobicContact CD1-CE2 4.45Å; K21-Y24 VanDerWaalsContact O-CE2 3.22Å; K21-Y24 WeakPolarHBondContact O-CE2 3.36Å; K21-Y24 PolarHBondContact O-OH 2.78Å; K22-Y24 WeakPolarHBondContact O-CD2 3.22Å; Y24-I39 HydrophobicContact CE2-CD1 4.47Å; Y24-R42 WeakPolarHBondContact OH-CD 3.34Å
25L97.8Very high96.8Very high127 Ų12766.4 Ų66.467%0.66534%0.337SS*.EExtended strand (participates in β ladder)trans-102.6116.4160.3-68.3176000107.2N3 R4 K5N3-L25 HydrophobicContact CB-CB 4.32Å; R4-L25 WeakPolarHBondContact O-CA 3.43Å; K5-L25 HydrophobicContact CG-CD2 4.01Å
26V97.8Very high97Very high4 Ų459 Ų592%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-117.7129.9-171-171.60000109.9N3 R4 V6 S28 L30 F35 M66N3-V26 CarbonylContact C-O 3.52Å; N3-V26 VanDerWaalsContact CA-O 3.3Å; N3-V26 WeakPolarHBondContact CA-O 3.31Å; R4-V26 PolarHBondContact N-O 2.91Å; R4-V26 PolarHBondContact O-N 2.96Å; V6-V26 HydrophobicContact CB-CG2 3.98Å; V6-V26 HydrophobicContact CG2-CB 4.06Å; V6-V26 HydrophobicContact CG2-CG2 3.62Å; V26-S28 PolarHBondContact O-N 3.3Å; V26-L30 HydrophobicContact CG1-CB 4.26Å; V26-L30 HydrophobicContact CG1-CD2 3.54Å; V26-F35 HydrophobicContact CG1-CD2 4.1Å; V26-F35 HydrophobicContact CG1-CE2 4.24Å; V26-F35 HydrophobicContact CG2-CD2 4.39Å; V26-F35 HydrophobicContact CG2-CE2 3.71Å; V26-F35 HydrophobicContact CG2-CZ 4.11Å; V26-M66 HydrophobicContact CG1-CB 4.01Å; V26-M66 HydrophobicContact CG1-CE 4.32Å; V26-M66 HydrophobicContact CG1-CG 3.76Å
27P98.1Very high97.2Very high50 Ų5064.8 Ų64.833%0.32533%0.334SS..EExtended strand (participates in β ladder)trans-57.4135174.7-24.234.3000111.4D29 L30P27-D29 WeakPolarHBondContact CB-OD1 3.47Å; P27-D29 PolarHBondContact O-N 3.23Å; P27-L30 HydrophobicContact CB-CB 4.39Å; P27-L30 VanDerWaalsContact O-CB 3.29Å; P27-L30 WeakPolarHBondContact O-CB 3.42Å; P27-L30 PolarHBondContact O-N 2.9Å
28S98Very high97.3Very high21 Ų2166.2 Ų66.215%0.14733%0.333CS..THydrogen-bonded Turntrans-63.2-28.2-176.3-650000113.6E2 R4 V26 T65 G67E2-S28 WeakPolarHBondContact O-CB 3.27Å; E2-S28 PolarHBondContact O-N 3.09Å; E2-S28 PolarHBondContact O-OG 2.99Å; R4-S28 PolarHBondContact NE-OG 2.94Å; R4-S28 VanDerWaalsContact NE-OG 3.13Å; V26-S28 PolarHBondContact O-N 3.3Å; S28-T65 WeakPolarHBondContact O-CB 3.11Å; S28-G67 WeakPolarHBondContact O-CA 3.3Å; S28-G67 PolarHBondContact O-N 3.37Å
29D97.4Very high97.5Very high93 Ų9360.9 Ų60.950%0.49731%0.305SS..THydrogen-bonded Turntrans-84.6-10.9-179.858.7-26.4000113.8P27 T31P27-D29 WeakPolarHBondContact CB-OD1 3.47Å; P27-D29 PolarHBondContact O-N 3.23Å; D29-T31 PolarHBondContact O-N 3.27Å
30L98.2Very high97.5Very high30 Ų3063.2 Ų63.216%0.15731%0.312CS..  trans-61.1132.8173.3-168.177.8000109.3V26 P27 Q34 F35 L38 T65 M66V26-L30 HydrophobicContact CG1-CB 4.26Å; V26-L30 HydrophobicContact CG1-CD2 3.54Å; P27-L30 HydrophobicContact CB-CB 4.39Å; P27-L30 VanDerWaalsContact O-CB 3.29Å; P27-L30 WeakPolarHBondContact O-CB 3.42Å; P27-L30 PolarHBondContact O-N 2.9Å; L30-Q34 HydrophobicContact CD1-CB 3.65Å; L30-Q34 HydrophobicContact CD1-CG 4.47Å; L30-Q34 HydrophobicContact CG-CB 3.95Å; L30-F35 HydrophobicContact CD2-CB 3.93Å; L30-F35 HydrophobicContact CD2-CD2 3.8Å; L30-F35 HydrophobicContact CD2-CG 4.31Å; L30-L38 HydrophobicContact CD2-CD1 3.94Å; L30-T65 CarbonylContact O-C 3.51Å; L30-T65 WeakPolarHBondContact O-CA 3.21Å; L30-M66 HydrophobicContact CB-CG 4.18Å; L30-M66 HydrophobicContact CD2-CG 4.35Å; L30-M66 VanDerWaalsContact O-CG 3.32Å; L30-M66 WeakPolarHBondContact O-CG 3.46Å; L30-M66 PolarHBondContact O-N 3.46Å
31T98.6Very high97.6Very high39 Ų3964.7 Ų64.724%0.23931%0.313CS..BIsolated β-bridgetrans-78.3155.1173.970.50000111.4D29 G33 Q34 F35 A64D29-T31 PolarHBondContact O-N 3.27Å; T31-G33 PolarHBondContact O-N 3.38Å; T31-Q34 WeakPolarHBondContact O-CB 3.3Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 VanDerWaalsContact O-N 3.12Å; T31-Q34 VanDerWaalsContact OG1-CG 3.3Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.39Å; T31-Q34 PolarHBondContact OG1-N 2.88Å; T31-Q34 VanDerWaalsContact OG1-N 3.15Å; T31-Q34 PolarHBondContact OG1-OE1 2.73Å; T31-F35 PolarHBondContact O-N 2.85Å; T31-A64 CarbonylContact C-O 3.6Å; T31-A64 VanDerWaalsContact CA-O 3.28Å; T31-A64 WeakPolarHBondContact CA-O 3.45Å
32V98.4Very high97.7Very high1 Ų163.3 Ų63.31%0.00630%0.304CS..Hα-helixtrans-56.7-40.4173173.20000110.5Q34 F35 Y36 F53 P60 P61 A64 M66 L69V32-Q34 PolarHBondContact O-N 2.94Å; V32-F35 CarbonylContact O-C 3.54Å; V32-F35 WeakPolarHBondContact O-CA 3.37Å; V32-F35 WeakPolarHBondContact O-CB 3.42Å; V32-F35 PolarHBondContact O-N 2.97Å; V32-F35 VanDerWaalsContact O-N 3.11Å; V32-Y36 HydrophobicContact CG1-CD2 3.91Å; V32-Y36 HydrophobicContact CG1-CE2 3.81Å; V32-Y36 WeakPolarHBondContact O-CD2 3.29Å; V32-Y36 PolarHBondContact O-N 2.81Å; V32-F53 HydrophobicContact CG1-CD2 4.36Å; V32-P60 HydrophobicContact CG1-CB 4.14Å; V32-P60 HydrophobicContact CG1-CG 3.82Å; V32-P60 HydrophobicContact CG2-CB 4.37Å; V32-P61 WeakPolarHBondContact CB-O 3.35Å; V32-A64 HydrophobicContact CG2-CB 4.28Å; V32-A64 PolarHBondContact N-O 2.65Å; V32-M66 HydrophobicContact CG2-SD 4.01Å; V32-L69 HydrophobicContact CG2-CD2 3.84Å
33G98.4Very high97.7Very high26 Ų2659.1 Ų59.127%0.26829%0.286SS..Hα-helixtrans-61.8-39.6175.600000113.7T31 F35 Y36 F37 T62T31-G33 PolarHBondContact O-N 3.38Å; G33-F35 VanDerWaalsContact C-N 3.33Å; G33-Y36 WeakPolarHBondContact O-CB 3.34Å; G33-Y36 PolarHBondContact O-N 2.89Å; G33-F37 PolarHBondContact O-N 2.95Å; G33-T62 PolarHBondContact N-O 3Å
34Q98.5Very high97.6Very high97 Ų9760 Ų6045%0.45329%0.292SS..Hα-helixtrans-67-37.4172-71.2166.8-2800111.2L30 T31 V32 F37 L38L30-Q34 HydrophobicContact CD1-CB 3.65Å; L30-Q34 HydrophobicContact CD1-CG 4.47Å; L30-Q34 HydrophobicContact CG-CB 3.95Å; T31-Q34 WeakPolarHBondContact O-CB 3.3Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 VanDerWaalsContact O-N 3.12Å; T31-Q34 VanDerWaalsContact OG1-CG 3.3Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.39Å; T31-Q34 PolarHBondContact OG1-N 2.88Å; T31-Q34 VanDerWaalsContact OG1-N 3.15Å; T31-Q34 PolarHBondContact OG1-OE1 2.73Å; V32-Q34 PolarHBondContact O-N 2.94Å; Q34-F37 WeakPolarHBondContact O-CB 3.08Å; Q34-F37 PolarHBondContact O-N 2.78Å; Q34-L38 WeakPolarHBondContact O-CG 2.98Å; Q34-L38 PolarHBondContact O-N 3.26Å; Q34-L38 VanDerWaalsContact O-N 3.15Å
35F98.3Very high97.6Very high4 Ų460 Ų602%0.01829%0.293CS..Hα-helixtrans-65.5-39.6175.9-164.4-120000112.5V6 V8 V26 L30 T31 V32 G33 F37 L38 I39 F53 M66 I82V6-F35 HydrophobicContact CG1-CE1 4.39Å; V6-F35 HydrophobicContact CG1-CZ 4.4Å; V8-F35 HydrophobicContact CG2-CE1 3.75Å; V8-F35 HydrophobicContact CG2-CZ 3.72Å; V26-F35 HydrophobicContact CG1-CD2 4.1Å; V26-F35 HydrophobicContact CG1-CE2 4.24Å; V26-F35 HydrophobicContact CG2-CD2 4.39Å; V26-F35 HydrophobicContact CG2-CE2 3.71Å; V26-F35 HydrophobicContact CG2-CZ 4.11Å; L30-F35 HydrophobicContact CD2-CB 3.93Å; L30-F35 HydrophobicContact CD2-CD2 3.8Å; L30-F35 HydrophobicContact CD2-CG 4.31Å; T31-F35 PolarHBondContact O-N 2.85Å; V32-F35 CarbonylContact O-C 3.54Å; V32-F35 WeakPolarHBondContact O-CA 3.37Å; V32-F35 WeakPolarHBondContact O-CB 3.42Å; V32-F35 PolarHBondContact O-N 2.97Å; V32-F35 VanDerWaalsContact O-N 3.11Å; G33-F35 VanDerWaalsContact C-N 3.33Å; F35-F37 VanDerWaalsContact C-N 3.3Å; F35-F37 PolarHBondContact O-N 3.44Å; F35-L38 HydrophobicContact CD2-CD1 4.38Å; F35-L38 PolarHBondContact O-N 3.46Å; F35-L38 VanDerWaalsContact O-N 3.12Å; F35-I39 HydrophobicContact CD1-CG1 4.35Å; F35-I39 HydrophobicContact CE1-CD1 4.33Å; F35-I39 HydrophobicContact CE1-CG1 4.03Å; F35-I39 HydrophobicContact CE2-CD1 4.37Å; F35-I39 HydrophobicContact CZ-CD1 3.97Å; F35-I39 HydrophobicContact CZ-CG1 4.13Å; F35-I39 PolarHBondContact O-N 2.87Å; F35-F53 HydrophobicContact CB-CE2 4.5Å; F35-F53 AromaticContact CD1-CE2 3.63Å; F35-F53 HydrophobicContact CD1-CE2 3.63Å; F35-F53 HydrophobicContact CD1-CZ 4.07Å; F35-F53 HydrophobicContact CE1-CE2 4.34Å; F35-F53 HydrophobicContact CE1-CZ 4.45Å; F35-F53 HydrophobicContact CG-CE2 4.44Å; F35-M66 HydrophobicContact CB-CG 4.37Å; F35-M66 HydrophobicContact CB-SD 3.84Å; F35-M66 HydrophobicContact CD1-CE 3.76Å; F35-M66 HydrophobicContact CD1-SD 3.94Å; F35-M66 HydrophobicContact CE1-CE 4.01Å; F35-M66 HydrophobicContact CG-CE 4.09Å; F35-M66 HydrophobicContact CG-SD 3.94Å; F35-I82 HydrophobicContact CD1-CD1 4.32Å; F35-I82 HydrophobicContact CE1-CD1 3.99Å
36Y97.7Very high97.5Very high34 Ų3460.5 Ų60.513%0.13329%0.287CS..Hα-helixtrans-51.6-49.5169.3-93.9-75.6000111.5V32 G33 L38 I39 R40 L51 F53 T62V32-Y36 HydrophobicContact CG1-CD2 3.91Å; V32-Y36 HydrophobicContact CG1-CE2 3.81Å; V32-Y36 WeakPolarHBondContact O-CD2 3.29Å; V32-Y36 PolarHBondContact O-N 2.81Å; G33-Y36 WeakPolarHBondContact O-CB 3.34Å; G33-Y36 PolarHBondContact O-N 2.89Å; Y36-L38 VanDerWaalsContact C-N 3.3Å; Y36-L38 PolarHBondContact O-N 2.72Å; Y36-I39 PolarHBondContact O-N 2.98Å; Y36-R40 VanDerWaalsContact O-CB 3.28Å; Y36-R40 WeakPolarHBondContact O-CB 3.39Å; Y36-R40 PolarHBondContact O-N 2.88Å; Y36-L51 HydrophobicContact CD1-CB 4.46Å; Y36-L51 HydrophobicContact CD1-CD2 3.87Å; Y36-L51 HydrophobicContact CD1-CG 3.92Å; Y36-L51 HydrophobicContact CE1-CD2 4.46Å; Y36-L51 HydrophobicContact CE1-CG 4.02Å; Y36-L51 VanDerWaalsContact CE1-O 3.22Å; Y36-L51 WeakPolarHBondContact CE1-O 3.19Å; Y36-F53 HydrophobicContact CD1-CD1 4.21Å; Y36-F53 AromaticContact CD1-CD2 3.99Å; Y36-F53 HydrophobicContact CD1-CD2 3.99Å; Y36-F53 HydrophobicContact CD1-CE1 4.07Å; Y36-F53 AromaticContact CD1-CE2 3.83Å; Y36-F53 HydrophobicContact CD1-CE2 3.83Å; Y36-F53 HydrophobicContact CD1-CG 4.17Å; Y36-F53 AromaticContact CD1-CZ 3.87Å; Y36-F53 HydrophobicContact CD1-CZ 3.87Å; Y36-F53 AromaticContact CD2-CD2 3.75Å; Y36-F53 HydrophobicContact CD2-CD2 3.75Å; Y36-F53 AromaticContact CD2-CE2 3.81Å; Y36-F53 HydrophobicContact CD2-CE2 3.81Å; Y36-F53 HydrophobicContact CE1-CB 4.14Å; Y36-F53 AromaticContact CE1-CD1 3.82Å; Y36-F53 HydrophobicContact CE1-CD1 3.82Å; Y36-F53 AromaticContact CE1-CD2 3.81Å; Y36-F53 HydrophobicContact CE1-CD2 3.81Å; Y36-F53 HydrophobicContact CE1-CE1 4.15Å; Y36-F53 HydrophobicContact CE1-CE2 4.13Å; Y36-F53 AromaticContact CE1-CG 3.64Å; Y36-F53 HydrophobicContact CE1-CG 3.64Å; Y36-F53 HydrophobicContact CE1-CZ 4.29Å; Y36-F53 HydrophobicContact CE2-CB 4.26Å; Y36-F53 AromaticContact CE2-CD2 3.58Å; Y36-F53 HydrophobicContact CE2-CD2 3.58Å; Y36-F53 HydrophobicContact CE2-CE2 4.13Å; Y36-F53 HydrophobicContact CE2-CG 4.04Å; Y36-F53 AromaticContact CG-CD2 3.96Å; Y36-F53 HydrophobicContact CG-CD2 3.96Å; Y36-F53 AromaticContact CG-CE2 3.66Å; Y36-F53 HydrophobicContact CG-CE2 3.66Å; Y36-F53 HydrophobicContact CG-CZ 4.07Å; Y36-F53 AromaticContact CZ-CD2 3.64Å; Y36-F53 AromaticContact CZ-CG 3.59Å; Y36-F53 WeakPolarHBondContact OH-CB 3.41Å; Y36-F53 PolarHBondContact OH-N 2.8Å; Y36-T62 HydrophobicContact CD2-CG2 4.32Å; Y36-T62 HydrophobicContact CE2-CG2 4.13Å
37F97.3Very high97.3Very high138 Ų13865.6 Ų65.661%0.60532%0.32SS*.Hα-helixtrans-59.1-40.9178.9177.2-97.1000112.3G33 Q34 F35 K41G33-F37 PolarHBondContact O-N 2.95Å; Q34-F37 WeakPolarHBondContact O-CB 3.08Å; Q34-F37 PolarHBondContact O-N 2.78Å; F35-F37 VanDerWaalsContact C-N 3.3Å; F35-F37 PolarHBondContact O-N 3.44Å; F37-K41 PolarHBondContact O-N 3Å; F37-K41 VanDerWaalsContact O-N 3.11Å
38L97.6Very high97.1Very high64 Ų6469.1 Ų69.134%0.33533%0.332SS..Hα-helixtrans-66.8-42.2178.3-65.9177.1000112.8L30 Q34 F35 Y36 R42L30-L38 HydrophobicContact CD2-CD1 3.94Å; Q34-L38 WeakPolarHBondContact O-CG 2.98Å; Q34-L38 PolarHBondContact O-N 3.26Å; Q34-L38 VanDerWaalsContact O-N 3.15Å; F35-L38 HydrophobicContact CD2-CD1 4.38Å; F35-L38 PolarHBondContact O-N 3.46Å; F35-L38 VanDerWaalsContact O-N 3.12Å; Y36-L38 VanDerWaalsContact C-N 3.3Å; Y36-L38 PolarHBondContact O-N 2.72Å; L38-R42 PolarHBondContact O-N 2.89Å
39I97.8Very high97Very high0 Ų070.5 Ų70.50%034%0.338CS..Hα-helixtrans-68.6-41.9177-64.6-55000110.7V8 L19 Y24 F35 Y36 K41 R42 I43 L51 F53V8-I39 HydrophobicContact CG1-CD1 4.32Å; V8-I39 HydrophobicContact CG2-CD1 4.47Å; L19-I39 HydrophobicContact CD1-CD1 4.22Å; L19-I39 HydrophobicContact CD1-CG2 4.49Å; L19-I39 HydrophobicContact CD2-CD1 4.28Å; L19-I39 HydrophobicContact CD2-CG2 4.32Å; Y24-I39 HydrophobicContact CE2-CD1 4.47Å; F35-I39 HydrophobicContact CD1-CG1 4.35Å; F35-I39 HydrophobicContact CE1-CD1 4.33Å; F35-I39 HydrophobicContact CE1-CG1 4.03Å; F35-I39 HydrophobicContact CE2-CD1 4.37Å; F35-I39 HydrophobicContact CZ-CD1 3.97Å; F35-I39 HydrophobicContact CZ-CG1 4.13Å; F35-I39 PolarHBondContact O-N 2.87Å; Y36-I39 PolarHBondContact O-N 2.98Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.18Å; I39-R42 PolarHBondContact O-N 3.38Å; I39-I43 HydrophobicContact CG2-CD1 4.43Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3.18Å; I39-I43 VanDerWaalsContact O-N 3.09Å; I39-L51 HydrophobicContact CB-CD2 4.49Å; I39-L51 HydrophobicContact CG2-CD2 4.14Å; I39-F53 HydrophobicContact CB-CE1 4.13Å; I39-F53 HydrophobicContact CB-CZ 3.78Å; I39-F53 HydrophobicContact CG1-CE1 4.18Å; I39-F53 HydrophobicContact CG1-CZ 3.61Å; I39-F53 HydrophobicContact CG2-CE1 3.98Å; I39-F53 HydrophobicContact CG2-CZ 4.16Å
40R97Very high96.9Very high69 Ų6968.2 Ų68.226%0.2633%0.332SS..Hα-helixtrans-52.7-45.7174.5-164.7-174.3-173116.926.3111.9Y36 H44 L45 R46 P47 D49 L51Y36-R40 VanDerWaalsContact O-CB 3.28Å; Y36-R40 WeakPolarHBondContact O-CB 3.39Å; Y36-R40 PolarHBondContact O-N 2.88Å; R40-H44 PolarHBondContact O-N 3.17Å; R40-L45 HydrophobicContact CG-CB 3.7Å; R40-L45 HydrophobicContact CG-CD2 4.07Å; R40-L45 HydrophobicContact CG-CG 4.36Å; R40-L45 PolarHBondContact NE-O 2.79Å; R40-L45 PolarHBondContact O-N 3.14Å; R40-R46 PolarHBondContact NH2-O 3.39Å; R40-P47 PolarHBondContact NH2-O 2.88Å; R40-D49 PolarHBondContact NH2-O 2.91Å; R40-L51 HydrophobicContact CB-CD2 4.33Å
41K96.4Very high96.8Very high153 Ų15367.7 Ų67.767%0.66533%0.329SS*.Hα-helixtrans-65.3-38.4177.7-171.5175.8-179.9178.70112.5F37 I39 H44F37-K41 PolarHBondContact O-N 3Å; F37-K41 VanDerWaalsContact O-N 3.11Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.18Å; K41-H44 PolarHBondContact O-N 3.32Å
42R96.7Very high96.7Very high103 Ų10368.5 Ų68.539%0.38933%0.33SS..Hα-helixtrans-68-40.4-179-77.9-173.6169.784.8-1.7113.3L19 Y24 L38 I39 H44L19-R42 HydrophobicContact CD2-CB 3.61Å; Y24-R42 WeakPolarHBondContact OH-CD 3.34Å; L38-R42 PolarHBondContact O-N 2.89Å; I39-R42 PolarHBondContact O-N 3.38Å; R42-H44 PolarHBondContact O-CE1 3.24Å; R42-H44 PolarHBondContact O-N 3.01Å; R42-H44 PolarHBondContact O-ND1 2.91Å
43I96.6Very high96.6Very high14 Ų1468.5 Ų68.57%0.07233%0.329CS..THydrogen-bonded Turntrans-86.96.4177.770.6-169.8000112.6I16 L19 I39 L45 L51 Y84I16-I43 HydrophobicContact CD1-CD1 3.72Å; I16-I43 HydrophobicContact CG1-CD1 3.9Å; L19-I43 HydrophobicContact CD2-CG2 3.45Å; L19-I43 VanDerWaalsContact CD2-CG2 3.45Å; L19-I43 HydrophobicContact CG-CG2 3.76Å; I39-I43 HydrophobicContact CG2-CD1 4.43Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3.18Å; I39-I43 VanDerWaalsContact O-N 3.09Å; I43-L45 HydrophobicContact CD1-CB 4.1Å; I43-L45 HydrophobicContact CD1-CD2 4.44Å; I43-L45 HydrophobicContact CG1-CB 3.8Å; I43-L45 PolarHBondContact O-N 2.93Å; I43-L51 HydrophobicContact CD1-CD1 4.22Å; I43-L51 HydrophobicContact CD1-CD2 4.43Å; I43-Y84 HydrophobicContact CD1-CE2 4.19Å; I43-Y84 HydrophobicContact CG2-CE2 4.42Å
44H95.9Very high96.4Very high168 Ų16867.6 Ų67.678%0.77832%0.318SS*.THydrogen-bonded Turntrans5338-178.8-54.486.2000113.7R40 K41 R42 R46R40-H44 PolarHBondContact O-N 3.17Å; K41-H44 PolarHBondContact O-N 3.32Å; R42-H44 PolarHBondContact O-CE1 3.24Å; R42-H44 PolarHBondContact O-N 3.01Å; R42-H44 PolarHBondContact O-ND1 2.91Å; H44-R46 PolarHBondContact O-N 3.34Å
45L97.1Very high96.3Very high24 Ų2463.1 Ų63.113%0.12630%0.297CS..  trans-74.3126.9-176-168.970.1000111.3I16 R40 I43 D49 L51I16-L45 HydrophobicContact CD1-CD1 3.83Å; I16-L45 HydrophobicContact CD1-CD2 3.96Å; I16-L45 HydrophobicContact CD1-CG 4.5Å; I16-L45 HydrophobicContact CG1-CD1 3.95Å; R40-L45 HydrophobicContact CG-CB 3.7Å; R40-L45 HydrophobicContact CG-CD2 4.07Å; R40-L45 HydrophobicContact CG-CG 4.36Å; R40-L45 PolarHBondContact NE-O 2.79Å; R40-L45 PolarHBondContact O-N 3.14Å; I43-L45 HydrophobicContact CD1-CB 4.1Å; I43-L45 HydrophobicContact CD1-CD2 4.44Å; I43-L45 HydrophobicContact CG1-CB 3.8Å; I43-L45 PolarHBondContact O-N 2.93Å; L45-D49 HydrophobicContact CD1-CB 3.45Å; L45-D49 VanDerWaalsContact CD1-CB 3.45Å; L45-D49 HydrophobicContact CD2-CB 4.15Å; L45-D49 HydrophobicContact CG-CB 3.69Å; L45-L51 HydrophobicContact CD2-CB 3.77Å
46R95.8Very high95.8Very high139 Ų13966.5 Ų66.553%0.52532%0.315SS..  trans-64.5144.6179.2-52177-67159.9-7.4110.7R40 H44 E48 D49R40-R46 PolarHBondContact NH2-O 3.39Å; H44-R46 PolarHBondContact O-N 3.34Å; R46-E48 VanDerWaalsContact CB-CD 3.48Å; R46-E48 HydrophobicContact CB-CG 4.46Å; R46-E48 VanDerWaalsContact CB-OE2 3.27Å; R46-E48 WeakPolarHBondContact CB-OE2 3.41Å; R46-E48 VanDerWaalsContact CD-OE1 3.31Å; R46-E48 WeakPolarHBondContact CD-OE1 3.42Å; R46-E48 IonicContact CZ-OE1 3.17Å; R46-E48 IonicContact NE-OE1 3.31Å; R46-E48 PolarHBondContact NE-OE1 3.17Å; R46-E48 IonicContact NH1-OE1 2.77Å; R46-E48 PolarHBondContact NH1-OE1 3.4Å; R46-E48 PolarHBondContact O-N 3.3Å; R46-D49 WeakPolarHBondContact CB-OD2 3.43Å; R46-D49 IonicContact CZ-OD1 3.47Å; R46-D49 IonicContact CZ-OD2 3.45Å; R46-D49 IonicContact NE-OD1 3.62Å; R46-D49 IonicContact NE-OD2 2.8Å; R46-D49 PolarHBondContact NE-OD2 3.37Å; R46-D49 IonicContact NH2-OD1 2.72Å; R46-D49 PolarHBondContact NH2-OD1 3.12Å; R46-D49 IonicContact NH2-OD2 3.32Å; R46-D49 PolarHBondContact NH2-OD2 3.22Å; R46-D49 PolarHBondContact O-N 2.71Å
47P92.6Very high95.2Very high111 Ų11166.8 Ų66.872%0.72132%0.319SS*.THydrogen-bonded Turntrans-52.3-28.2-174.3-28.636.6000116.8R40R40-P47 PolarHBondContact NH2-O 2.88Å
48E94.6Very high94.9Very high124 Ų12464.5 Ų64.558%0.57932%0.316SS*.THydrogen-bonded Turntrans-80.7-23179.865.8-86.6-156.200114R46R46-E48 VanDerWaalsContact CB-CD 3.48Å; R46-E48 HydrophobicContact CB-CG 4.46Å; R46-E48 VanDerWaalsContact CB-OE2 3.27Å; R46-E48 WeakPolarHBondContact CB-OE2 3.41Å; R46-E48 VanDerWaalsContact CD-OE1 3.31Å; R46-E48 WeakPolarHBondContact CD-OE1 3.42Å; R46-E48 IonicContact CZ-OE1 3.17Å; R46-E48 IonicContact NE-OE1 3.31Å; R46-E48 PolarHBondContact NE-OE1 3.17Å; R46-E48 IonicContact NH1-OE1 2.77Å; R46-E48 PolarHBondContact NH1-OE1 3.4Å; R46-E48 PolarHBondContact O-N 3.3Å
49D95.9Very high94.7Very high49 Ų4964.3 Ų64.326%0.26232%0.315SS..SBendtrans-77.2145.9-177.1-63.5-38.2000110.8R40 L45 R46R40-D49 PolarHBondContact NH2-O 2.91Å; L45-D49 HydrophobicContact CD1-CB 3.45Å; L45-D49 VanDerWaalsContact CD1-CB 3.45Å; L45-D49 HydrophobicContact CD2-CB 4.15Å; L45-D49 HydrophobicContact CG-CB 3.69Å; R46-D49 WeakPolarHBondContact CB-OD2 3.43Å; R46-D49 IonicContact CZ-OD1 3.47Å; R46-D49 IonicContact CZ-OD2 3.45Å; R46-D49 IonicContact NE-OD1 3.62Å; R46-D49 IonicContact NE-OD2 2.8Å; R46-D49 PolarHBondContact NE-OD2 3.37Å; R46-D49 IonicContact NH2-OD1 2.72Å; R46-D49 PolarHBondContact NH2-OD1 3.12Å; R46-D49 IonicContact NH2-OD2 3.32Å; R46-D49 PolarHBondContact NH2-OD2 3.22Å; R46-D49 PolarHBondContact O-N 2.71Å
50A94.8Very high94.7Very high46 Ų4664.6 Ų64.638%0.3832%0.317SS..  trans-82.7148.4-179.300000112F52A50-F52 HydrophobicContact CB-CD2 4.42Å; A50-F52 HydrophobicContact CB-CE2 3.64Å; A50-F52 HydrophobicContact CB-CZ 4.18Å
51L96.6Very high94.7Very high19 Ų1965.1 Ų65.110%0.09933%0.33CS..  trans-141.8126.1172.4177.963.7000107.8I16 Y36 I39 R40 I43 L45 F53 Y84 S85I16-L51 HydrophobicContact CD1-CD1 3.7Å; Y36-L51 HydrophobicContact CD1-CB 4.46Å; Y36-L51 HydrophobicContact CD1-CD2 3.87Å; Y36-L51 HydrophobicContact CD1-CG 3.92Å; Y36-L51 HydrophobicContact CE1-CD2 4.46Å; Y36-L51 HydrophobicContact CE1-CG 4.02Å; Y36-L51 VanDerWaalsContact CE1-O 3.22Å; Y36-L51 WeakPolarHBondContact CE1-O 3.19Å; I39-L51 HydrophobicContact CB-CD2 4.49Å; I39-L51 HydrophobicContact CG2-CD2 4.14Å; R40-L51 HydrophobicContact CB-CD2 4.33Å; I43-L51 HydrophobicContact CD1-CD1 4.22Å; I43-L51 HydrophobicContact CD1-CD2 4.43Å; L45-L51 HydrophobicContact CD2-CB 3.77Å; L51-F53 HydrophobicContact CD1-CE1 4.45Å; L51-F53 HydrophobicContact CD2-CE1 4.18Å; L51-F53 HydrophobicContact CG-CE1 4.31Å; L51-Y84 HydrophobicContact CD1-CD2 3.67Å; L51-Y84 HydrophobicContact CD1-CG 4.17Å; L51-S85 CarbonylContact C-O 3.49Å; L51-S85 WeakPolarHBondContact CA-O 3.3Å
52F96.2Very high94.7Very high56 Ų5662 Ų6225%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-123.2131.4176.8-59.8-81.7000109.3A50 F54 I59 Y84 S85 N88A50-F52 HydrophobicContact CB-CD2 4.42Å; A50-F52 HydrophobicContact CB-CE2 3.64Å; A50-F52 HydrophobicContact CB-CZ 4.18Å; F52-F54 HydrophobicContact CB-CE2 3.74Å; F52-F54 HydrophobicContact CB-CZ 4Å; F52-I59 HydrophobicContact CD1-CD1 4.25Å; F52-Y84 CarbonylContact O-C 3.53Å; F52-Y84 WeakPolarHBondContact O-CA 3.33Å; F52-S85 PolarHBondContact N-O 2.72Å; F52-S85 PolarHBondContact O-N 3.32Å; F52-N88 HydrophobicContact CD1-CB 3.91Å; F52-N88 HydrophobicContact CD2-CB 4.11Å; F52-N88 HydrophobicContact CE1-CB 3.8Å; F52-N88 HydrophobicContact CE2-CB 3.99Å; F52-N88 HydrophobicContact CG-CB 4.07Å; F52-N88 HydrophobicContact CZ-CB 3.83Å
53F96.8Very high94.8Very high1 Ų162 Ų620%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-93.8149.1167.5-69.6-16.3000110.4V32 F35 Y36 I39 L51 P60 I82 A83V32-F53 HydrophobicContact CG1-CD2 4.36Å; F35-F53 HydrophobicContact CB-CE2 4.5Å; F35-F53 AromaticContact CD1-CE2 3.63Å; F35-F53 HydrophobicContact CD1-CE2 3.63Å; F35-F53 HydrophobicContact CD1-CZ 4.07Å; F35-F53 HydrophobicContact CE1-CE2 4.34Å; F35-F53 HydrophobicContact CE1-CZ 4.45Å; F35-F53 HydrophobicContact CG-CE2 4.44Å; Y36-F53 HydrophobicContact CD1-CD1 4.21Å; Y36-F53 AromaticContact CD1-CD2 3.99Å; Y36-F53 HydrophobicContact CD1-CD2 3.99Å; Y36-F53 HydrophobicContact CD1-CE1 4.07Å; Y36-F53 AromaticContact CD1-CE2 3.83Å; Y36-F53 HydrophobicContact CD1-CE2 3.83Å; Y36-F53 HydrophobicContact CD1-CG 4.17Å; Y36-F53 AromaticContact CD1-CZ 3.87Å; Y36-F53 HydrophobicContact CD1-CZ 3.87Å; Y36-F53 AromaticContact CD2-CD2 3.75Å; Y36-F53 HydrophobicContact CD2-CD2 3.75Å; Y36-F53 AromaticContact CD2-CE2 3.81Å; Y36-F53 HydrophobicContact CD2-CE2 3.81Å; Y36-F53 HydrophobicContact CE1-CB 4.14Å; Y36-F53 AromaticContact CE1-CD1 3.82Å; Y36-F53 HydrophobicContact CE1-CD1 3.82Å; Y36-F53 AromaticContact CE1-CD2 3.81Å; Y36-F53 HydrophobicContact CE1-CD2 3.81Å; Y36-F53 HydrophobicContact CE1-CE1 4.15Å; Y36-F53 HydrophobicContact CE1-CE2 4.13Å; Y36-F53 AromaticContact CE1-CG 3.64Å; Y36-F53 HydrophobicContact CE1-CG 3.64Å; Y36-F53 HydrophobicContact CE1-CZ 4.29Å; Y36-F53 HydrophobicContact CE2-CB 4.26Å; Y36-F53 AromaticContact CE2-CD2 3.58Å; Y36-F53 HydrophobicContact CE2-CD2 3.58Å; Y36-F53 HydrophobicContact CE2-CE2 4.13Å; Y36-F53 HydrophobicContact CE2-CG 4.04Å; Y36-F53 AromaticContact CG-CD2 3.96Å; Y36-F53 HydrophobicContact CG-CD2 3.96Å; Y36-F53 AromaticContact CG-CE2 3.66Å; Y36-F53 HydrophobicContact CG-CE2 3.66Å; Y36-F53 HydrophobicContact CG-CZ 4.07Å; Y36-F53 AromaticContact CZ-CD2 3.64Å; Y36-F53 AromaticContact CZ-CG 3.59Å; Y36-F53 WeakPolarHBondContact OH-CB 3.41Å; Y36-F53 PolarHBondContact OH-N 2.8Å; I39-F53 HydrophobicContact CB-CE1 4.13Å; I39-F53 HydrophobicContact CB-CZ 3.78Å; I39-F53 HydrophobicContact CG1-CE1 4.18Å; I39-F53 HydrophobicContact CG1-CZ 3.61Å; I39-F53 HydrophobicContact CG2-CE1 3.98Å; I39-F53 HydrophobicContact CG2-CZ 4.16Å; L51-F53 HydrophobicContact CD1-CE1 4.45Å; L51-F53 HydrophobicContact CD2-CE1 4.18Å; L51-F53 HydrophobicContact CG-CE1 4.31Å; F53-P60 HydrophobicContact CB-CG 4.05Å; F53-P60 WeakPolarHBondContact O-CD 3.24Å; F53-I82 HydrophobicContact CB-CG2 3.79Å; F53-I82 HydrophobicContact CD1-CG2 4.01Å; F53-I82 HydrophobicContact CD2-CG2 4.2Å; F53-I82 HydrophobicContact CG-CG2 3.75Å; F53-A83 CarbonylContact C-O 3.56Å; F53-A83 VanDerWaalsContact CA-O 3.3Å; F53-A83 WeakPolarHBondContact CA-O 3.22Å
54F95.3Very high94.9Very high6 Ų662.4 Ų62.43%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-133.8130.3172.9-58.9-92.1000109.2F52 V58 I59 I82 A83 A93F52-F54 HydrophobicContact CB-CE2 3.74Å; F52-F54 HydrophobicContact CB-CZ 4Å; F54-V58 WeakPolarHBondContact CA-O 3.2Å; F54-I59 HydrophobicContact CD1-CG1 4.13Å; F54-I59 HydrophobicContact CE1-CD1 4.42Å; F54-I59 HydrophobicContact CE1-CG1 3.9Å; F54-I59 HydrophobicContact CZ-CG1 4.5Å; F54-I82 WeakPolarHBondContact O-CA 3.42Å; F54-A83 HydrophobicContact CB-CB 4.28Å; F54-A83 PolarHBondContact N-O 3.41Å; F54-A83 PolarHBondContact O-N 3.15Å; F54-A93 HydrophobicContact CB-CB 3.48Å; F54-A93 VanDerWaalsContact CB-CB 3.48Å; F54-A93 HydrophobicContact CD1-CB 4.19Å; F54-A93 HydrophobicContact CD2-CB 3.96Å; F54-A93 HydrophobicContact CG-CB 3.62Å
55V94.5Very high95Very high3 Ų356.8 Ų56.82%0.01832%0.322CS..BIsolated β-bridgetrans-122.7120.5170.8179.80000106.4N57 V58 P60 L69 H73 L80 I82V55-N57 PolarHBondContact O-N 3.12Å; V55-N57 VanDerWaalsContact O-N 3.14Å; V55-V58 PolarHBondContact N-O 3.42Å; V55-V58 PolarHBondContact O-N 3.32Å; V55-P60 HydrophobicContact CG2-CG 4.3Å; V55-L69 HydrophobicContact CG2-CD2 3.95Å; V55-L69 HydrophobicContact CG2-CG 4.42Å; V55-H73 HydrophobicContact CG1-CB 3.45Å; V55-H73 VanDerWaalsContact CG1-CB 3.45Å; V55-L80 HydrophobicContact CG1-CD1 3.65Å; V55-I82 HydrophobicContact CG2-CB 4.47Å; V55-I82 HydrophobicContact CG2-CD1 4.36Å; V55-I82 HydrophobicContact CG2-CG1 3.86Å; V55-I82 HydrophobicContact CG2-CG2 4.42Å
56N88.8Confident95.1Very high75 Ų7555.7 Ų55.740%0.40132%0.316SS..THydrogen-bonded Turntrans5040.6-174.1-64.5-13.9000113V58N56-V58 PolarHBondContact O-N 2.86Å
57N85.5Confident95.2Very high40 Ų4049.2 Ų49.221%0.21429%0.293CS..THydrogen-bonded Turntrans66.95.4-175.7-51.1-68.3000116.1V55 Y90V55-N57 PolarHBondContact O-N 3.12Å; V55-N57 VanDerWaalsContact O-N 3.14Å; N57-Y90 HydrophobicContact CB-CD2 3.87Å; N57-Y90 HydrophobicContact CB-CE1 4.47Å; N57-Y90 HydrophobicContact CB-CE2 3.27Å; N57-Y90 WeakPolarHBondContact O-CD2 3.44Å; N57-Y90 WeakPolarHBondContact O-CE2 3.49Å
58V89.7Confident95.4Very high90 Ų9046.1 Ų46.155%0.54527%0.274SS..BIsolated β-bridgetrans-105.5143.6177.4-176.80000110.2F54 V55 N56 P60F54-V58 WeakPolarHBondContact CA-O 3.2Å; V55-V58 PolarHBondContact N-O 3.42Å; V55-V58 PolarHBondContact O-N 3.32Å; N56-V58 PolarHBondContact O-N 2.86Å; V58-P60 WeakPolarHBondContact O-CD 3.45Å
59I94.8Very high95.6Very high60 Ų6040.5 Ų40.531%0.30825%0.248SC..PPolyproline II helixtrans-74.7120.1171.8-65168.1000108.8F52 F54 N88F52-I59 HydrophobicContact CD1-CD1 4.25Å; F54-I59 HydrophobicContact CD1-CG1 4.13Å; F54-I59 HydrophobicContact CE1-CD1 4.42Å; F54-I59 HydrophobicContact CE1-CG1 3.9Å; F54-I59 HydrophobicContact CZ-CG1 4.5Å; I59-N88 VanDerWaalsContact CD1-CG 3.44Å; I59-N88 WeakPolarHBondContact CD1-OD1 2.97Å
60P96.6Very high95.7Very high6 Ų639.3 Ų39.34%0.03924%0.24CC..PPolyproline II helixtrans-70.2143179.129.2-34.8000111.3V32 F53 V55 V58 T62 L69V32-P60 HydrophobicContact CG1-CB 4.14Å; V32-P60 HydrophobicContact CG1-CG 3.82Å; V32-P60 HydrophobicContact CG2-CB 4.37Å; F53-P60 HydrophobicContact CB-CG 4.05Å; F53-P60 WeakPolarHBondContact O-CD 3.24Å; V55-P60 HydrophobicContact CG2-CG 4.3Å; V58-P60 WeakPolarHBondContact O-CD 3.45Å; P60-T62 PolarHBondContact O-N 3.41Å; P60-L69 HydrophobicContact CB-CD1 3.67Å; P60-L69 HydrophobicContact CB-CD2 3.82Å; P60-L69 HydrophobicContact CB-CG 4.45Å; P60-L69 HydrophobicContact CG-CD2 4.31Å
61P97.4Very high95.8Very high81 Ų8143.4 Ų43.453%0.52625%0.251SS..PPolyproline II helixtrans-60.7131.7173.7-20.231.5000111.1V32 S63 A64V32-P61 WeakPolarHBondContact CB-O 3.35Å; P61-S63 PolarHBondContact O-N 3.24Å; P61-A64 HydrophobicContact CB-CB 4.26Å; P61-A64 WeakPolarHBondContact O-CB 3.36Å; P61-A64 PolarHBondContact O-N 3.1Å; P61-A64 VanDerWaalsContact O-N 3.1Å
62T97.6Very high95.7Very high86 Ų8649.4 Ų49.453%0.52828%0.279SS..THydrogen-bonded Turntrans-66.2-24.7-177.553.40000113.6G33 Y36 P60G33-T62 PolarHBondContact N-O 3Å; Y36-T62 HydrophobicContact CD2-CG2 4.32Å; Y36-T62 HydrophobicContact CE2-CG2 4.13Å; P60-T62 PolarHBondContact O-N 3.41Å
63S98.1Very high95.7Very high103 Ų10348.8 Ų48.872%0.7228%0.277SS*.THydrogen-bonded Turntrans-79.6-16.517654.70000113.8P61P61-S63 PolarHBondContact O-N 3.24Å
64A98.3Very high95.7Very high23 Ų2352.3 Ų52.319%0.1929%0.293CS..SBendtrans-67.6155.317700000110.9T31 V32 P61T31-A64 CarbonylContact C-O 3.6Å; T31-A64 VanDerWaalsContact CA-O 3.28Å; T31-A64 WeakPolarHBondContact CA-O 3.45Å; V32-A64 HydrophobicContact CG2-CB 4.28Å; V32-A64 PolarHBondContact N-O 2.65Å; P61-A64 HydrophobicContact CB-CB 4.26Å; P61-A64 WeakPolarHBondContact O-CB 3.36Å; P61-A64 PolarHBondContact O-N 3.1Å; P61-A64 VanDerWaalsContact O-N 3.1Å
65T98.4Very high95.7Very high50 Ų5055.9 Ų55.931%0.30731%0.31SS..BIsolated β-bridgetrans-87.9153.7173.668.50000110.6S28 L30 G67 S68 L69S28-T65 WeakPolarHBondContact O-CB 3.11Å; L30-T65 CarbonylContact O-C 3.51Å; L30-T65 WeakPolarHBondContact O-CA 3.21Å; T65-G67 PolarHBondContact O-N 3.46Å; T65-S68 PolarHBondContact N-OG 3.09Å; T65-S68 PolarHBondContact O-N 3.25Å; T65-S68 PolarHBondContact O-OG 3.01Å; T65-S68 WeakPolarHBondContact OG1-CB 3.49Å; T65-S68 PolarHBondContact OG1-N 3.33Å; T65-S68 PolarHBondContact OG1-OG 3.03Å; T65-L69 WeakPolarHBondContact O-CB 3.32Å; T65-L69 PolarHBondContact O-N 3.29Å
66M98.3Very high95.8Very high1 Ų164.6 Ų64.61%0.00535%0.35CS..Hα-helixtrans-63.6-29.7173.6-66-61.5-60.900111.3V6 V26 L30 V32 F35 Y70 L80 I82V6-M66 HydrophobicContact CG1-CE 4.3Å; V6-M66 HydrophobicContact CG2-CE 4.01Å; V26-M66 HydrophobicContact CG1-CB 4.01Å; V26-M66 HydrophobicContact CG1-CE 4.32Å; V26-M66 HydrophobicContact CG1-CG 3.76Å; L30-M66 HydrophobicContact CB-CG 4.18Å; L30-M66 HydrophobicContact CD2-CG 4.35Å; L30-M66 VanDerWaalsContact O-CG 3.32Å; L30-M66 WeakPolarHBondContact O-CG 3.46Å; L30-M66 PolarHBondContact O-N 3.46Å; V32-M66 HydrophobicContact CG2-SD 4.01Å; F35-M66 HydrophobicContact CB-CG 4.37Å; F35-M66 HydrophobicContact CB-SD 3.84Å; F35-M66 HydrophobicContact CD1-CE 3.76Å; F35-M66 HydrophobicContact CD1-SD 3.94Å; F35-M66 HydrophobicContact CE1-CE 4.01Å; F35-M66 HydrophobicContact CG-CE 4.09Å; F35-M66 HydrophobicContact CG-SD 3.94Å; M66-Y70 WeakPolarHBondContact O-CB 3.5Å; M66-Y70 PolarHBondContact O-N 3.22Å; M66-L80 HydrophobicContact CE-CD2 4.12Å; M66-I82 HydrophobicContact CE-CD1 3.8Å
67G98.1Very high96.1Very high4 Ų464.1 Ų64.14%0.04135%0.348CS..Hα-helixtrans-65.5-48.8173.500000113S28 T65 Y70 Q71S28-G67 WeakPolarHBondContact O-CA 3.3Å; S28-G67 PolarHBondContact O-N 3.37Å; T65-G67 PolarHBondContact O-N 3.46Å; G67-Y70 PolarHBondContact O-N 3.23Å; G67-Q71 WeakPolarHBondContact O-CG 3.28Å; G67-Q71 PolarHBondContact O-N 3.29Å
68S97.8Very high96.6Very high46 Ų4669.6 Ų69.632%0.32237%0.367SS..Hα-helixtrans-64.4-42.7176.857.20000111.5T65 Y70 Q71 E72T65-S68 PolarHBondContact N-OG 3.09Å; T65-S68 PolarHBondContact O-N 3.25Å; T65-S68 PolarHBondContact O-OG 3.01Å; T65-S68 WeakPolarHBondContact OG1-CB 3.49Å; T65-S68 PolarHBondContact OG1-N 3.33Å; T65-S68 PolarHBondContact OG1-OG 3.03Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.11Å; S68-Q71 PolarHBondContact O-N 2.99Å; S68-E72 PolarHBondContact O-N 3.25Å
69L97.6Very high97Very high6 Ų667.4 Ų67.43%0.03135%0.35CS..Hα-helixtrans-62.4-39.9177.7-168.469.2000111.8V32 V55 P60 T65 H73 L80V32-L69 HydrophobicContact CG2-CD2 3.84Å; V55-L69 HydrophobicContact CG2-CD2 3.95Å; V55-L69 HydrophobicContact CG2-CG 4.42Å; P60-L69 HydrophobicContact CB-CD1 3.67Å; P60-L69 HydrophobicContact CB-CD2 3.82Å; P60-L69 HydrophobicContact CB-CG 4.45Å; P60-L69 HydrophobicContact CG-CD2 4.31Å; T65-L69 WeakPolarHBondContact O-CB 3.32Å; T65-L69 PolarHBondContact O-N 3.29Å; L69-H73 PolarHBondContact O-N 2.83Å; L69-H73 VanDerWaalsContact O-N 3.09Å; L69-L80 HydrophobicContact CB-CD2 4.39Å; L69-L80 HydrophobicContact CD2-CD2 4.03Å; L69-L80 HydrophobicContact CG-CD1 4.46Å; L69-L80 HydrophobicContact CG-CD2 4.08Å
70Y97.9Very high97.1Very high23 Ų2364.5 Ų64.59%0.0934%0.335CS..Hα-helixtrans-64.6-45.4174.5-178.5-79.2000111.8R4 K5 M66 G67 S68 E72 H73 H74 Y78 L80R4-Y70 HydrophobicContact CB-CD2 3.64Å; R4-Y70 HydrophobicContact CB-CE2 4.21Å; R4-Y70 HydrophobicContact CB-CG 3.96Å; R4-Y70 HydrophobicContact CG-CD1 4.36Å; R4-Y70 HydrophobicContact CG-CD2 4.06Å; R4-Y70 HydrophobicContact CG-CG 3.83Å; K5-Y70 WeakPolarHBondContact O-CE2 3.47Å; M66-Y70 WeakPolarHBondContact O-CB 3.5Å; M66-Y70 PolarHBondContact O-N 3.22Å; G67-Y70 PolarHBondContact O-N 3.23Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.11Å; Y70-E72 PolarHBondContact O-N 2.87Å; Y70-H73 PolarHBondContact O-N 2.81Å; Y70-H74 HydrophobicContact CD1-CB 4.01Å; Y70-H74 HydrophobicContact CD2-CB 4.07Å; Y70-H74 HydrophobicContact CE1-CB 3.78Å; Y70-H74 AromaticContact CE1-CG 3.74Å; Y70-H74 HydrophobicContact CE2-CB 3.87Å; Y70-H74 HydrophobicContact CG-CB 4.14Å; Y70-H74 VanDerWaalsContact O-CB 3.24Å; Y70-H74 WeakPolarHBondContact O-CB 3.42Å; Y70-H74 PolarHBondContact O-N 3.36Å; Y70-H74 PolarHBondContact O-ND1 3.15Å; Y70-Y78 VanDerWaalsContact OH-C 3.25Å; Y70-Y78 WeakPolarHBondContact OH-CA 3.48Å; Y70-Y78 PolarHBondContact OH-O 2.84Å; Y70-L80 HydrophobicContact CD2-CB 3.66Å; Y70-L80 HydrophobicContact CE2-CB 4.35Å; Y70-L80 HydrophobicContact CG-CB 4.47Å
71Q97Very high97.1Very high132 Ų13267.4 Ų67.462%0.61735%0.346SS*.Hα-helixtrans-58.9-37.4-179.8-75.3172.67.300112.3G67 S68G67-Q71 WeakPolarHBondContact O-CG 3.28Å; G67-Q71 PolarHBondContact O-N 3.29Å; S68-Q71 PolarHBondContact O-N 2.99Å
72E96.3Very high97.1Very high146 Ų14663.6 Ų63.668%0.68232%0.321SS*.Hα-helixtrans-81.7-30.8-177.7-165.4177.2169.800113.8S68 Y70S68-E72 PolarHBondContact O-N 3.25Å; Y70-E72 PolarHBondContact O-N 2.87Å
73H96.1Very high97Very high43 Ų4359.6 Ų59.620%0.19930%0.297CS..Hα-helixtrans-134.611.5-166.5-56.2-55.4000115.9V55 L69 Y70 L80V55-H73 HydrophobicContact CG1-CB 3.45Å; V55-H73 VanDerWaalsContact CG1-CB 3.45Å; L69-H73 PolarHBondContact O-N 2.83Å; L69-H73 VanDerWaalsContact O-N 3.09Å; Y70-H73 PolarHBondContact O-N 2.81Å; H73-L80 HydrophobicContact CB-CD1 3.9Å
74H95.8Very high96.9Very high74 Ų7454.8 Ų54.834%0.34326%0.262SS..  trans-65.3149.1169.370.9-74.3000110.8Y70 F79Y70-H74 HydrophobicContact CD1-CB 4.01Å; Y70-H74 HydrophobicContact CD2-CB 4.07Å; Y70-H74 HydrophobicContact CE1-CB 3.78Å; Y70-H74 AromaticContact CE1-CG 3.74Å; Y70-H74 HydrophobicContact CE2-CB 3.87Å; Y70-H74 HydrophobicContact CG-CB 4.14Å; Y70-H74 VanDerWaalsContact O-CB 3.24Å; Y70-H74 WeakPolarHBondContact O-CB 3.42Å; Y70-H74 PolarHBondContact O-N 3.36Å; Y70-H74 PolarHBondContact O-ND1 3.15Å; H74-F79 WeakPolarHBondContact CA-O 3.5Å
75E95.3Very high96.8Very high82 Ų8253.7 Ų53.738%0.38325%0.253SS..  trans-90.5171.5175.9-63.4-62.3152.500111D77 Y78 F79 Y81E75-D77 PolarHBondContact O-N 3.24Å; E75-Y78 PolarHBondContact O-N 3.46Å; E75-F79 PolarHBondContact N-O 3.11Å; E75-Y81 HydrophobicContact CB-CD2 4.24Å; E75-Y81 HydrophobicContact CB-CE2 4.06Å; E75-Y81 HydrophobicContact CG-CD2 3.67Å; E75-Y81 HydrophobicContact CG-CE2 3.94Å
76E96Very high96.6Very high186 Ų18653.2 Ų53.287%0.86925%0.249SC*.THydrogen-bonded Turntrans-59.3-21-177.2-63.6-175.2171.700113.9Y78E76-Y78 PolarHBondContact O-N 3.25Å
77D95.8Very high96.3Very high65 Ų6555.9 Ų55.935%0.34826%0.261SS..THydrogen-bonded Turntrans-823.1176.571-4.6000113.9E75 F79 Y81E75-D77 PolarHBondContact O-N 3.24Å; D77-F79 HydrophobicContact CB-CD2 4.32Å; D77-F79 VanDerWaalsContact O-CD2 3.31Å; D77-F79 WeakPolarHBondContact O-CD2 3.36Å; D77-F79 WeakPolarHBondContact OD1-CB 3.28Å; D77-F79 PolarHBondContact OD1-N 2.92Å; D77-Y81 PolarHBondContact OD2-OH 2.93Å
78Y96.1Very high95.8Very high154 Ų15460.1 Ų60.160%0.60428%0.283SS*.SBendtrans64.135.5-177.6-48.4-75.6000113.6Y70 E75 E76Y70-Y78 VanDerWaalsContact OH-C 3.25Å; Y70-Y78 WeakPolarHBondContact OH-CA 3.48Å; Y70-Y78 PolarHBondContact OH-O 2.84Å; E75-Y78 PolarHBondContact O-N 3.46Å; E76-Y78 PolarHBondContact O-N 3.25Å
79F97.6Very high94.8Very high44 Ų4461.2 Ų61.219%0.19329%0.288CS..  trans-117.7146.9166.9-70.6-94.7000111.6K5 I7 H74 E75 D77 Y81K5-F79 HydrophobicContact CB-CD1 3.51Å; K5-F79 HydrophobicContact CB-CE1 3.64Å; K5-F79 HydrophobicContact CB-CG 4.18Å; K5-F79 HydrophobicContact CB-CZ 4.38Å; K5-F79 HydrophobicContact CD-CD1 4.43Å; K5-F79 HydrophobicContact CD-CE1 3.98Å; K5-F79 HydrophobicContact CD-CE2 4.29Å; K5-F79 HydrophobicContact CD-CZ 3.89Å; K5-F79 HydrophobicContact CG-CE1 4.27Å; I7-F79 HydrophobicContact CD1-CB 4.15Å; I7-F79 HydrophobicContact CD1-CD1 3.71Å; I7-F79 HydrophobicContact CD1-CE1 4.19Å; I7-F79 HydrophobicContact CD1-CG 3.88Å; I7-F79 HydrophobicContact CG1-CB 4.37Å; I7-F79 HydrophobicContact CG1-CD1 3.63Å; I7-F79 HydrophobicContact CG1-CE1 4.2Å; I7-F79 HydrophobicContact CG1-CG 4.2Å; H74-F79 WeakPolarHBondContact CA-O 3.5Å; E75-F79 PolarHBondContact N-O 3.11Å; D77-F79 HydrophobicContact CB-CD2 4.32Å; D77-F79 VanDerWaalsContact O-CD2 3.31Å; D77-F79 WeakPolarHBondContact O-CD2 3.36Å; D77-F79 WeakPolarHBondContact OD1-CB 3.28Å; D77-F79 PolarHBondContact OD1-N 2.92Å; F79-Y81 HydrophobicContact CB-CD2 4.28Å; F79-Y81 HydrophobicContact CB-CE2 3.73Å
80L97.6Very high93Very high0 Ų068.8 Ų68.80%032%0.317CS..EExtended strand (participates in β ladder)trans-93.7125.2163173.968.4000109K5 V6 I7 V55 M66 L69 Y70 H73 I82K5-L80 PolarHBondContact O-N 2.9Å; V6-L80 CarbonylContact C-O 3.49Å; V6-L80 WeakPolarHBondContact CA-O 3.35Å; V6-L80 HydrophobicContact CG2-CB 4.38Å; V6-L80 HydrophobicContact CG2-CD2 4.35Å; I7-L80 PolarHBondContact N-O 3.44Å; V55-L80 HydrophobicContact CG1-CD1 3.65Å; M66-L80 HydrophobicContact CE-CD2 4.12Å; L69-L80 HydrophobicContact CB-CD2 4.39Å; L69-L80 HydrophobicContact CD2-CD2 4.03Å; L69-L80 HydrophobicContact CG-CD1 4.46Å; L69-L80 HydrophobicContact CG-CD2 4.08Å; Y70-L80 HydrophobicContact CD2-CB 3.66Å; Y70-L80 HydrophobicContact CE2-CB 4.35Å; Y70-L80 HydrophobicContact CG-CB 4.47Å; H73-L80 HydrophobicContact CB-CD1 3.9Å; L80-I82 HydrophobicContact CD2-CD1 4.07Å; L80-I82 HydrophobicContact CD2-CG1 4.35Å; L80-I82 HydrophobicContact CG-CD1 4.42Å; L80-I82 HydrophobicContact CG-CG1 4.15Å
81Y97.3Very high91.3Very high67 Ų6770.1 Ų70.126%0.26334%0.338SS..EExtended strand (participates in β ladder)trans-98.7127.7179.1-70.8-95.7000111.1I7 E75 D77 F79I7-Y81 HydrophobicContact CB-CD1 3.89Å; I7-Y81 HydrophobicContact CB-CE1 3.99Å; I7-Y81 HydrophobicContact CD1-CD1 4.34Å; I7-Y81 HydrophobicContact CD1-CE1 3.55Å; I7-Y81 HydrophobicContact CG1-CE1 4.31Å; I7-Y81 HydrophobicContact CG2-CD1 3.94Å; I7-Y81 HydrophobicContact CG2-CE1 4.02Å; E75-Y81 HydrophobicContact CB-CD2 4.24Å; E75-Y81 HydrophobicContact CB-CE2 4.06Å; E75-Y81 HydrophobicContact CG-CD2 3.67Å; E75-Y81 HydrophobicContact CG-CE2 3.94Å; D77-Y81 PolarHBondContact OD2-OH 2.93Å; F79-Y81 HydrophobicContact CB-CD2 4.28Å; F79-Y81 HydrophobicContact CB-CE2 3.73Å
82I96.9Very high89.5Confident1 Ų166 Ų661%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-127.2118.5179.9-51.4-170.6000108.8V6 I7 V8 E9 F35 F53 F54 V55 M66 L80V6-I82 HydrophobicContact CG1-CD1 3.64Å; V6-I82 HydrophobicContact CG1-CG1 3.89Å; I7-I82 PolarHBondContact O-N 2.81Å; V8-I82 VanDerWaalsContact CA-O 3.3Å; V8-I82 WeakPolarHBondContact CA-O 3.46Å; V8-I82 HydrophobicContact CG2-CB 4.4Å; E9-I82 PolarHBondContact N-O 3.47Å; F35-I82 HydrophobicContact CD1-CD1 4.32Å; F35-I82 HydrophobicContact CE1-CD1 3.99Å; F53-I82 HydrophobicContact CB-CG2 3.79Å; F53-I82 HydrophobicContact CD1-CG2 4.01Å; F53-I82 HydrophobicContact CD2-CG2 4.2Å; F53-I82 HydrophobicContact CG-CG2 3.75Å; F54-I82 WeakPolarHBondContact O-CA 3.42Å; V55-I82 HydrophobicContact CG2-CB 4.47Å; V55-I82 HydrophobicContact CG2-CD1 4.36Å; V55-I82 HydrophobicContact CG2-CG1 3.86Å; V55-I82 HydrophobicContact CG2-CG2 4.42Å; M66-I82 HydrophobicContact CE-CD1 3.8Å; L80-I82 HydrophobicContact CD2-CD1 4.07Å; L80-I82 HydrophobicContact CD2-CG1 4.35Å; L80-I82 HydrophobicContact CG-CD1 4.42Å; L80-I82 HydrophobicContact CG-CG1 4.15Å
83A95.9Very high87.6Confident2 Ų259.5 Ų59.52%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-89.3144.5168.300000109.1E9 F53 F54 A93 I95E9-A83 CarbonylContact O-C 3.58Å; E9-A83 VanDerWaalsContact O-CA 3.27Å; E9-A83 WeakPolarHBondContact O-CA 3.44Å; F53-A83 CarbonylContact C-O 3.56Å; F53-A83 VanDerWaalsContact CA-O 3.3Å; F53-A83 WeakPolarHBondContact CA-O 3.22Å; F54-A83 HydrophobicContact CB-CB 4.28Å; F54-A83 PolarHBondContact N-O 3.41Å; F54-A83 PolarHBondContact O-N 3.15Å; A83-A93 HydrophobicContact CB-CB 3.82Å; A83-A93 WeakPolarHBondContact CB-O 3.31Å; A83-I95 HydrophobicContact CB-CD1 3.67Å; A83-I95 HydrophobicContact CB-CG1 3.72Å
84Y95.9Very high85.8Confident1 Ų164.6 Ų64.60%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-123.1146170.876.1-86.7000113.4V8 E9 K10 A11 I16 G17 D18 L19 I43 L51 F52V8-Y84 HydrophobicContact CG1-CD1 3.83Å; V8-Y84 HydrophobicContact CG1-CE1 4.38Å; E9-Y84 WeakPolarHBondContact O-CD1 3.24Å; E9-Y84 PolarHBondContact O-N 3.48Å; K10-Y84 HydrophobicContact CB-CD1 4.47Å; K10-Y84 HydrophobicContact CB-CE1 3.75Å; K10-Y84 HydrophobicContact CB-CE2 4.2Å; K10-Y84 HydrophobicContact CD-CE2 4.41Å; K10-Y84 HydrophobicContact CG-CE1 4.44Å; K10-Y84 HydrophobicContact CG-CE2 4.02Å; A11-Y84 WeakPolarHBondContact CB-O 3.28Å; A11-Y84 PolarHBondContact N-O 2.77Å; I16-Y84 HydrophobicContact CD1-CD2 4.41Å; I16-Y84 HydrophobicContact CG1-CE2 4.44Å; I16-Y84 HydrophobicContact CG2-CD2 3.83Å; I16-Y84 HydrophobicContact CG2-CE2 3.52Å; G17-Y84 WeakPolarHBondContact O-CE2 3.4Å; G17-Y84 PolarHBondContact O-OH 2.8Å; D18-Y84 WeakPolarHBondContact CA-OH 3.49Å; L19-Y84 HydrophobicContact CD1-CD1 4.26Å; L19-Y84 HydrophobicContact CD1-CE1 3.64Å; L19-Y84 HydrophobicContact CG-CE1 3.98Å; L19-Y84 PolarHBondContact N-OH 2.9Å; I43-Y84 HydrophobicContact CD1-CE2 4.19Å; I43-Y84 HydrophobicContact CG2-CE2 4.42Å; L51-Y84 HydrophobicContact CD1-CD2 3.67Å; L51-Y84 HydrophobicContact CD1-CG 4.17Å; F52-Y84 CarbonylContact O-C 3.53Å; F52-Y84 WeakPolarHBondContact O-CA 3.33Å
85S95.3Very high84.2Confident0 Ų063 Ų630%031%0.305CS..EExtended strand (participates in β ladder)trans-148.3157.9-177.1-1690000112L51 F52 E87L51-S85 CarbonylContact C-O 3.49Å; L51-S85 WeakPolarHBondContact CA-O 3.3Å; F52-S85 PolarHBondContact N-O 2.72Å; F52-S85 PolarHBondContact O-N 3.32Å; S85-E87 VanDerWaalsContact C-N 3.33Å; S85-E87 PolarHBondContact OG-N 3.06Å; S85-E87 PolarHBondContact OG-O 2.59Å
86D94.6Very high82Confident41 Ų4169.9 Ų69.922%0.21935%0.345CS..SBendtrans-80.6-12.8166.555.9-47.8000113A14 R15 I16A14-D86 VanDerWaalsContact CA-OD1 3.24Å; A14-D86 WeakPolarHBondContact CA-OD1 3.44Å; A14-D86 WeakPolarHBondContact CB-OD1 3.35Å; R15-D86 PolarHBondContact N-OD1 2.82Å; I16-D86 HydrophobicContact CB-CB 4.27Å
87E91.8Very high81.3Confident56 Ų5664.1 Ų64.126%0.26232%0.318SS..SBendtrans-115.2140.9179.9-64.3-177.4-176.300112.3R15 S85 V89 M92R15-E87 IonicContact CZ-OE1 3.9Å; R15-E87 IonicContact NH2-OE1 2.83Å; R15-E87 PolarHBondContact NH2-OE1 3.45Å; S85-E87 VanDerWaalsContact C-N 3.33Å; S85-E87 PolarHBondContact OG-N 3.06Å; S85-E87 PolarHBondContact OG-O 2.59Å; E87-V89 VanDerWaalsContact C-N 3.32Å; E87-V89 HydrophobicContact CB-CG2 4.28Å; E87-V89 PolarHBondContact O-N 3.01Å; E87-M92 WeakPolarHBondContact OE2-CE 3.45Å
88N86.9Confident80.6Confident94 Ų9464.1 Ų64.150%0.50332%0.317SS..  trans-88.959174-175.75.7000111.7F52 I59F52-N88 HydrophobicContact CD1-CB 3.91Å; F52-N88 HydrophobicContact CD2-CB 4.11Å; F52-N88 HydrophobicContact CE1-CB 3.8Å; F52-N88 HydrophobicContact CE2-CB 3.99Å; F52-N88 HydrophobicContact CG-CB 4.07Å; F52-N88 HydrophobicContact CZ-CB 3.83Å; I59-N88 VanDerWaalsContact CD1-CG 3.44Å; I59-N88 WeakPolarHBondContact CD1-OD1 2.97Å
89V77Confident79.7Confident68 Ų6859.1 Ų59.141%0.41230%0.301SS..  trans-115.4115.5-179.4-177.70000110.7E87 G91 M92E87-V89 VanDerWaalsContact C-N 3.32Å; E87-V89 HydrophobicContact CB-CG2 4.28Å; E87-V89 PolarHBondContact O-N 3.01Å; V89-G91 PolarHBondContact O-N 2.76Å; V89-M92 PolarHBondContact O-N 2.83Å
90Y60.6Low78.7Confident166 Ų16659.9 Ų59.965%0.65131%0.307SS*.THydrogen-bonded Turntrans-57.7126.1171.9-170.8-92.3000110.3N57N57-Y90 HydrophobicContact CB-CD2 3.87Å; N57-Y90 HydrophobicContact CB-CE1 4.47Å; N57-Y90 HydrophobicContact CB-CE2 3.27Å; N57-Y90 WeakPolarHBondContact O-CD2 3.44Å; N57-Y90 WeakPolarHBondContact O-CE2 3.49Å
91G62.7Low77.5Confident50 Ų5063.7 Ų63.752%0.51533%0.327SS..THydrogen-bonded Turntrans105.8-11.7178.100000116V89 A93V89-G91 PolarHBondContact O-N 2.76Å; G91-A93 VanDerWaalsContact C-N 3.29Å
92M58.1Low76.2Confident47 Ų4763.5 Ų63.523%0.23233%0.331CS..SBendtrans-79.1-15.3167.3-69-161.917900112.9A11 P12 K13 E87 V89 K94A11-M92 WeakPolarHBondContact CB-O 3.49Å; P12-M92 WeakPolarHBondContact CD-O 3.31Å; K13-M92 HydrophobicContact CB-CE 4.3Å; K13-M92 HydrophobicContact CB-SD 3.82Å; K13-M92 HydrophobicContact CD-CE 4.21Å; K13-M92 HydrophobicContact CD-SD 4.45Å; E87-M92 WeakPolarHBondContact OE2-CE 3.45Å; V89-M92 PolarHBondContact O-N 2.83Å; M92-K94 PolarHBondContact O-N 2.77Å
93A57.5Low74.7Confident8 Ų867.9 Ų67.97%0.06635%0.354CS..  trans-875.4-167.400000115.6F54 A83 G91 I95F54-A93 HydrophobicContact CB-CB 3.48Å; F54-A93 VanDerWaalsContact CB-CB 3.48Å; F54-A93 HydrophobicContact CD1-CB 4.19Å; F54-A93 HydrophobicContact CD2-CB 3.96Å; F54-A93 HydrophobicContact CG-CB 3.62Å; A83-A93 HydrophobicContact CB-CB 3.82Å; A83-A93 WeakPolarHBondContact CB-O 3.31Å; G91-A93 VanDerWaalsContact C-N 3.29Å; A93-I95 WeakPolarHBondContact O-CG1 3.27Å; A93-I95 PolarHBondContact O-N 3.31Å
94K58.2Low73Confident150 Ų15073 Ų7365%0.65238%0.38SS*.  trans-66.4107.6175.2-74.5-162.3176.5-169.80109.4M92M92-K94 PolarHBondContact O-N 2.77Å
95I61.1Low71.1Confident42 Ų4279 Ų7922%0.21541%0.411CS..  trans-88.3123.3165-30.6-178.5000104.7E9 A83 A93E9-I95 HydrophobicContact CB-CD1 4.13Å; E9-I95 HydrophobicContact CB-CG2 3.78Å; E9-I95 HydrophobicContact CG-CD1 4.49Å; E9-I95 HydrophobicContact CG-CG2 3.82Å; E9-I95 WeakPolarHBondContact OE2-CG2 3.03Å; A83-I95 HydrophobicContact CB-CD1 3.67Å; A83-I95 HydrophobicContact CB-CG1 3.72Å; A93-I95 WeakPolarHBondContact O-CG1 3.27Å; A93-I95 PolarHBondContact O-N 3.31Å
96N49.8Very low68.9Low226 Ų22686.2 Ų86.2100%1.20945%0.449SS*.  trans-65.20-177.1-70.6-35.1000111.9

Retrieved 96 of 96 residues in 180.6 ms (Link to these results)

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