A0A3Q0KC26_SCHMA Loading...

Thioredoxin; Thioredoxin; Thioredoxin, Trx1

AlphaFold DB (Q8T9N5), UniProt , Accession A0A3Q0KC26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 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
1M45.5Very low87Confident234 Ų23491.5 Ų91.5100%1.15347%0.474SS*.  0133.30-70.6-168.6-80.900107.5K3M1-K3 PolarHBondContact O-N 3.35Å
2S55.2Low87.8Confident109 Ų10987.6 Ų87.676%0.76246%0.455SS*.  trans-58.6120.7176.7-53.60000109L4S2-L4 PolarHBondContact O-N 3.06Å
3K82.8Confident88.5Confident67 Ų6780.8 Ų80.829%0.29142%0.42SS..SBendtrans-82.5-0.8-179.8-73.1174.1170.9-179.20112.9M1 S48 Y51 D52 F55M1-K3 PolarHBondContact O-N 3.35Å; K3-S48 VanDerWaalsContact CB-O 3.27Å; K3-S48 WeakPolarHBondContact CB-O 3.11Å; K3-S48 WeakPolarHBondContact CD-O 3.41Å; K3-Y51 PolarHBondContact NZ-O 3.21Å; K3-D52 IonicContact NZ-OD1 3.77Å; K3-F55 WeakPolarHBondContact O-CA 3.46Å; K3-F55 WeakPolarHBondContact O-CB 3.21Å; K3-F55 PolarHBondContact O-N 3.04Å
4L96.4Very high89Confident45 Ų4578.5 Ų78.524%0.23641%0.406CS..EExtended strand (participates in β ladder)trans-111.6119177.2-176.264000110S2 F44 K45 F55 K57S2-L4 PolarHBondContact O-N 3.06Å; L4-F44 HydrophobicContact CD1-CD1 3.8Å; L4-F44 HydrophobicContact CD1-CE1 3.6Å; L4-K45 HydrophobicContact CD2-CB 3.98Å; L4-K45 HydrophobicContact CD2-CG 4.15Å; L4-F55 CarbonylContact C-O 3.5Å; L4-F55 VanDerWaalsContact CA-O 3.3Å; L4-F55 WeakPolarHBondContact CA-O 3.39Å; L4-F55 HydrophobicContact CD1-CB 3.69Å; L4-K57 HydrophobicContact CD1-CD 4.25Å; L4-K57 HydrophobicContact CD1-CG 3.93Å; L4-K57 HydrophobicContact CD2-CD 4.38Å
5I96.6Very high89.5Confident63 Ų6377.1 Ų77.132%0.32341%0.405SS..EExtended strand (participates in β ladder)trans-121.4129.3-176.9-58.9163.5000108.5L7 L16 I54 F55 V56 K57I5-L7 HydrophobicContact CG2-CD2 4.09Å; I5-L16 HydrophobicContact CB-CD1 4.49Å; I5-L16 HydrophobicContact CD1-CD1 3.87Å; I5-L16 HydrophobicContact CG2-CD1 4.36Å; I5-I54 HydrophobicContact CD1-CG2 4.02Å; I5-F55 PolarHBondContact N-O 3.42Å; I5-V56 CarbonylContact O-C 3.54Å; I5-V56 WeakPolarHBondContact O-CA 3.48Å; I5-K57 PolarHBondContact O-N 3.18Å
6E97.5Very high89.9Confident91 Ų9173 Ų7343%0.42538%0.384SS..EExtended strand (participates in β ladder)trans-97.5122.3169-172.5164138.100109K57E6-K57 WeakPolarHBondContact CA-O 3.34Å; E6-K57 HydrophobicContact CB-CB 4.18Å; E6-K57 HydrophobicContact CG-CB 4.06Å; E6-K57 IonicContact OE2-NZ 2.7Å; E6-K57 PolarHBondContact OE2-NZ 3.03Å
7L98Very high90.2Very high13 Ų1369.6 Ų69.67%0.06837%0.366CS..  trans-75.6149.5178.9-56-170.6000110.5I5 D12 L13 L16 V56 K57 V58 L63I5-L7 HydrophobicContact CG2-CD2 4.09Å; L7-D12 HydrophobicContact CB-CB 4.19Å; L7-D12 HydrophobicContact CD1-CB 4.13Å; L7-D12 HydrophobicContact CD2-CB 4.04Å; L7-D12 HydrophobicContact CG-CB 4.34Å; L7-L13 HydrophobicContact CD1-CB 3.52Å; L7-L13 HydrophobicContact CD1-CD1 4.05Å; L7-L13 HydrophobicContact CD1-CG 4.3Å; L7-L16 HydrophobicContact CD2-CD1 3.94Å; L7-V56 HydrophobicContact CD1-CG1 3.72Å; L7-V56 HydrophobicContact CD2-CG1 3.85Å; L7-V56 HydrophobicContact CG-CG1 3.47Å; L7-V56 VanDerWaalsContact CG-CG1 3.47Å; L7-K57 PolarHBondContact N-O 3.49Å; L7-V58 HydrophobicContact CD1-CG2 3.89Å; L7-V58 HydrophobicContact CG-CG2 4.26Å; L7-L63 HydrophobicContact CB-CD2 3.57Å; L7-L63 HydrophobicContact CD1-CD2 4.42Å
8K96.1Very high90.5Very high179 Ų17973.2 Ų73.278%0.77838%0.381SS*.  trans-112.5-25.5-171.8-65-177.3-178.8177.10113D12K8-D12 PolarHBondContact N-OD2 3.35Å; K8-D12 VanDerWaalsContact N-OD2 3.15Å
9Q97.3Very high90.6Very high124 Ų12477 Ų7758%0.57940%0.396SS*.SBendtrans-147.3156.8-177.556.2-178.973.600111.6D12 L63Q9-D12 WeakPolarHBondContact CG-OD1 3.17Å; Q9-D12 VanDerWaalsContact CG-OD2 3.27Å; Q9-D12 WeakPolarHBondContact CG-OD2 2.95Å; Q9-D12 PolarHBondContact N-OD2 3.01Å; Q9-D12 VanDerWaalsContact N-OD2 3.12Å; Q9-D12 VanDerWaalsContact O-CB 3.3Å; Q9-D12 WeakPolarHBondContact O-CB 3.39Å; Q9-D12 VanDerWaalsContact O-CG 3.32Å; Q9-D12 PolarHBondContact O-N 3.18Å; Q9-L63 WeakPolarHBondContact O-CD2 3.49Å
10D96.6Very high90.7Very high47 Ų4775.6 Ų75.625%0.25139%0.388SS..THydrogen-bonded Turntrans-59145171.4-69.5-59.8000110.8D12 L63 E65 T66D10-D12 VanDerWaalsContact C-N 3.3Å; D10-D12 PolarHBondContact O-N 2.82Å; D10-L63 VanDerWaalsContact OD1-CA 3.28Å; D10-L63 WeakPolarHBondContact OD1-CA 3.37Å; D10-L63 WeakPolarHBondContact OD1-CB 3.39Å; D10-E65 HydrophobicContact CB-CB 4.17Å; D10-E65 PolarHBondContact OD1-N 3.22Å; D10-T66 WeakPolarHBondContact OD1-CB 3.22Å; D10-T66 PolarHBondContact OD1-N 3.1Å; D10-T66 PolarHBondContact OD1-OG1 3.47Å
11G95Very high90.6Very high34 Ų3478.2 Ų78.235%0.35140%0.396SS..THydrogen-bonded Turntrans88-18.2-173.300000115L13 E14 S15G11-L13 VanDerWaalsContact C-N 3.28Å; G11-L13 PolarHBondContact O-N 2.86Å; G11-E14 WeakPolarHBondContact CA-OE2 3.4Å; G11-S15 PolarHBondContact O-N 3.49Å; G11-S15 PolarHBondContact O-OG 2.74Å; G11-S15 VanDerWaalsContact O-OG 3.1Å
12D97.3Very high92.7Very high45 Ų4573.2 Ų73.224%0.24137%0.374CS..Hα-helixtrans-64.6-34.7177.1-76.6-14.3000111.5L7 K8 Q9 D10 S15 L16L7-D12 HydrophobicContact CB-CB 4.19Å; L7-D12 HydrophobicContact CD1-CB 4.13Å; L7-D12 HydrophobicContact CD2-CB 4.04Å; L7-D12 HydrophobicContact CG-CB 4.34Å; K8-D12 PolarHBondContact N-OD2 3.35Å; K8-D12 VanDerWaalsContact N-OD2 3.15Å; Q9-D12 WeakPolarHBondContact CG-OD1 3.17Å; Q9-D12 VanDerWaalsContact CG-OD2 3.27Å; Q9-D12 WeakPolarHBondContact CG-OD2 2.95Å; Q9-D12 PolarHBondContact N-OD2 3.01Å; Q9-D12 VanDerWaalsContact N-OD2 3.12Å; Q9-D12 VanDerWaalsContact O-CB 3.3Å; Q9-D12 WeakPolarHBondContact O-CB 3.39Å; Q9-D12 VanDerWaalsContact O-CG 3.32Å; Q9-D12 PolarHBondContact O-N 3.18Å; D10-D12 VanDerWaalsContact C-N 3.3Å; D10-D12 PolarHBondContact O-N 2.82Å; D12-S15 PolarHBondContact O-N 3.45Å; D12-L16 VanDerWaalsContact O-CB 3.3Å; D12-L16 WeakPolarHBondContact O-CB 3.45Å; D12-L16 PolarHBondContact O-N 2.88Å
13L96.9Very high94.6Very high0 Ų070.9 Ų70.90%035%0.351CS..Hα-helixtrans-65.9-44.7-177.4-177.654.1000110.5L7 G11 L16 L17 V27 F29 V56 T66 Y70L7-L13 HydrophobicContact CD1-CB 3.52Å; L7-L13 HydrophobicContact CD1-CD1 4.05Å; L7-L13 HydrophobicContact CD1-CG 4.3Å; G11-L13 VanDerWaalsContact C-N 3.28Å; G11-L13 PolarHBondContact O-N 2.86Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CD1-CD1 4.48Å; L13-L17 HydrophobicContact CD1-CG 4.24Å; L13-L17 HydrophobicContact CG-CD1 4.24Å; L13-L17 HydrophobicContact CG-CG 4.45Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.89Å; L13-V27 HydrophobicContact CD1-CG2 3.97Å; L13-V27 HydrophobicContact CD2-CG2 4.46Å; L13-F29 HydrophobicContact CD2-CZ 4.39Å; L13-V56 HydrophobicContact CD1-CG1 4.49Å; L13-T66 HydrophobicContact CB-CG2 4.12Å; L13-T66 HydrophobicContact CD2-CG2 3.67Å; L13-Y70 HydrophobicContact CD2-CD2 4.16Å; L13-Y70 HydrophobicContact CD2-CE2 3.43Å; L13-Y70 VanDerWaalsContact CD2-CE2 3.43Å; L13-Y70 HydrophobicContact CG-CE2 4.47Å
14E95.6Very high95.2Very high48 Ų4867.8 Ų67.822%0.22434%0.337CS..Hα-helixtrans-59.7-47.5176.3-68.671.4-163.300111G11 L16 L17 E18 K69G11-E14 WeakPolarHBondContact CA-OE2 3.4Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 2.94Å; E14-L17 PolarHBondContact O-N 3.36Å; E14-E18 WeakPolarHBondContact O-CG 3.49Å; E14-E18 PolarHBondContact O-N 2.86Å; E14-K69 WeakPolarHBondContact OE1-CD 3.41Å; E14-K69 IonicContact OE1-NZ 2.86Å; E14-K69 PolarHBondContact OE1-NZ 2.77Å
15S96.2Very high95.3Very high57 Ų5765.7 Ų65.740%0.39933%0.326SS..Hα-helixtrans-59.7-41.5177.3-58.30000111.5G11 D12 E18 Q19G11-S15 PolarHBondContact O-N 3.49Å; G11-S15 PolarHBondContact O-OG 2.74Å; G11-S15 VanDerWaalsContact O-OG 3.1Å; D12-S15 PolarHBondContact O-N 3.45Å; S15-E18 PolarHBondContact O-N 2.56Å; S15-Q19 VanDerWaalsContact O-CG 3.31Å; S15-Q19 WeakPolarHBondContact O-CG 3.38Å; S15-Q19 PolarHBondContact O-N 2.86Å; S15-Q19 VanDerWaalsContact O-N 3.1Å
16L95.5Very high95.4Very high12 Ų1262.7 Ų62.76%0.06331%0.311CS..Hα-helixtrans-66.1-43.3176.8-176.1153.6000111.7I5 L7 D12 L13 E14 E18 Q19 H20 V25 I54 V56I5-L16 HydrophobicContact CB-CD1 4.49Å; I5-L16 HydrophobicContact CD1-CD1 3.87Å; I5-L16 HydrophobicContact CG2-CD1 4.36Å; L7-L16 HydrophobicContact CD2-CD1 3.94Å; D12-L16 VanDerWaalsContact O-CB 3.3Å; D12-L16 WeakPolarHBondContact O-CB 3.45Å; D12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.42Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 2.94Å; L16-E18 VanDerWaalsContact C-N 3.28Å; L16-E18 PolarHBondContact O-N 2.7Å; L16-Q19 PolarHBondContact O-N 3.31Å; L16-H20 WeakPolarHBondContact O-CB 3.26Å; L16-H20 PolarHBondContact O-CD2 2.91Å; L16-H20 PolarHBondContact O-N 3.16Å; L16-V25 HydrophobicContact CD2-CG1 3.76Å; L16-V25 HydrophobicContact CD2-CG2 4.13Å; L16-I54 HydrophobicContact CD1-CG2 4.37Å; L16-I54 HydrophobicContact CD2-CG2 3.98Å; L16-V56 HydrophobicContact CD1-CG2 3.77Å; L16-V56 HydrophobicContact CD2-CG2 3.93Å
17L95.7Very high95.5Very high16 Ų1658.4 Ų58.48%0.08429%0.291CS..Hα-helixtrans-62.1-37.3176.4-69.2175.1000111.6L13 E14 H20 K21 V25 Y70 I81L13-L17 HydrophobicContact CD1-CD1 4.48Å; L13-L17 HydrophobicContact CD1-CG 4.24Å; L13-L17 HydrophobicContact CG-CD1 4.24Å; L13-L17 HydrophobicContact CG-CG 4.45Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.89Å; E14-L17 PolarHBondContact O-N 3.36Å; L17-H20 CarbonylContact O-C 3.44Å; L17-H20 PolarHBondContact O-N 3.49Å; L17-K21 WeakPolarHBondContact O-CG 3.14Å; L17-K21 PolarHBondContact O-N 3.18Å; L17-K21 VanDerWaalsContact O-N 3.13Å; L17-V25 HydrophobicContact CD2-CB 3.81Å; L17-V25 HydrophobicContact CD2-CG1 4.05Å; L17-V25 HydrophobicContact CD2-CG2 3.73Å; L17-Y70 WeakPolarHBondContact CD1-OH 3.47Å; L17-I81 HydrophobicContact CD1-CD1 4.05Å; L17-I81 HydrophobicContact CD1-CG2 4.05Å; L17-I81 HydrophobicContact CD2-CB 3.96Å; L17-I81 HydrophobicContact CD2-CD1 4.09Å; L17-I81 HydrophobicContact CD2-CG2 3.56Å; L17-I81 HydrophobicContact CG-CG2 4.46Å
18E94.7Very high95.5Very high133 Ų13357.8 Ų57.862%0.62129%0.287SS*.Hα-helixtrans-67.6-37.3175.5-73.9-176.2173.300113.1E14 S15 L16 H20 K21E14-E18 WeakPolarHBondContact O-CG 3.49Å; E14-E18 PolarHBondContact O-N 2.86Å; S15-E18 PolarHBondContact O-N 2.56Å; L16-E18 VanDerWaalsContact C-N 3.28Å; L16-E18 PolarHBondContact O-N 2.7Å; E18-H20 VanDerWaalsContact C-N 3.27Å; E18-H20 PolarHBondContact O-N 3.45Å; E18-K21 WeakPolarHBondContact O-CG 3.46Å
19Q93Very high95.6Very high146 Ų14649.2 Ų49.268%0.68225%0.25SS*.Hα-helixtrans-71.8-22.2176.1-70173.622.200112.8S15 L16S15-Q19 VanDerWaalsContact O-CG 3.31Å; S15-Q19 WeakPolarHBondContact O-CG 3.38Å; S15-Q19 PolarHBondContact O-N 2.86Å; S15-Q19 VanDerWaalsContact O-N 3.1Å; L16-Q19 PolarHBondContact O-N 3.31Å
20H92.8Very high95.7Very high48 Ų4844.2 Ų44.222%0.22223%0.227CC..THydrogen-bonded Turntrans-124.133.6-174-63.3-55.5000113.6L16 L17 E18 N22 K23 V25 I54L16-H20 WeakPolarHBondContact O-CB 3.26Å; L16-H20 PolarHBondContact O-CD2 2.91Å; L16-H20 PolarHBondContact O-N 3.16Å; L17-H20 CarbonylContact O-C 3.44Å; L17-H20 PolarHBondContact O-N 3.49Å; E18-H20 VanDerWaalsContact C-N 3.27Å; E18-H20 PolarHBondContact O-N 3.45Å; H20-N22 PolarHBondContact O-N 2.87Å; H20-K23 HydrophobicContact CB-CB 4.39Å; H20-K23 PolarHBondContact O-N 2.99Å; H20-V25 HydrophobicContact CB-CG2 4.36Å; H20-I54 HydrophobicContact CB-CG1 4.06Å
21K88.4Confident95.8Very high131 Ų13142 Ų4257%0.5722%0.215SC*.THydrogen-bonded Turntrans-49.4-34.4-176.6-74.8178.2-177.1-177.30114.6L17 E18 N83L17-K21 WeakPolarHBondContact O-CG 3.14Å; L17-K21 PolarHBondContact O-N 3.18Å; L17-K21 VanDerWaalsContact O-N 3.13Å; E18-K21 WeakPolarHBondContact O-CG 3.46Å; K21-N83 PolarHBondContact O-OD1 3.35Å
22N90Very high95.9Very high129 Ų12944.2 Ų44.269%0.6922%0.222SC*.THydrogen-bonded Turntrans-921.1-177.667.5-33000114.6H20H20-N22 PolarHBondContact O-N 2.87Å
23K93.9Very high95.8Very high61 Ų6149.9 Ų49.927%0.26524%0.24SC..SBendtrans-111.1151178.6-67.5-160169.7-151.30111H20 D52 I54H20-K23 HydrophobicContact CB-CB 4.39Å; H20-K23 PolarHBondContact O-N 2.99Å; K23-D52 IonicContact NZ-OD1 2.81Å; K23-D52 PolarHBondContact NZ-OD1 2.82Å; K23-D52 IonicContact NZ-OD2 2.77Å; K23-D52 PolarHBondContact NZ-OD2 3.01Å; K23-I54 HydrophobicContact CB-CG1 4.23Å; K23-I54 HydrophobicContact CD-CD1 3.97Å; K23-I54 HydrophobicContact CD-CG1 4.16Å
24L96.9Very high95.8Very high2 Ų250.1 Ų50.11%0.0124%0.242CC..  trans-67.1131.9164.3-177.369.5000108.5V26 A53 I54 A80 K82 V87 I102 F105 I106L24-V26 HydrophobicContact CD2-CG2 3.99Å; L24-V26 HydrophobicContact CG-CG2 4.09Å; L24-A53 HydrophobicContact CB-CB 3.98Å; L24-A53 HydrophobicContact CD2-CB 4.24Å; L24-A53 HydrophobicContact CG-CB 4.31Å; L24-A53 CarbonylContact O-C 3.6Å; L24-A53 WeakPolarHBondContact O-CA 3.4Å; L24-A53 WeakPolarHBondContact O-CB 3.38Å; L24-I54 PolarHBondContact O-N 2.86Å; L24-A80 HydrophobicContact CD1-CB 4.17Å; L24-K82 HydrophobicContact CD1-CB 4.25Å; L24-V87 HydrophobicContact CD1-CG2 4.38Å; L24-I102 HydrophobicContact CD2-CG2 4.26Å; L24-F105 HydrophobicContact CD1-CB 3.76Å; L24-F105 HydrophobicContact CD2-CB 4.29Å; L24-I106 HydrophobicContact CD2-CB 4.11Å
25V97.8Very high95.9Very high1 Ų149.8 Ų49.81%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-112.7126.3171.5-175.30000108.5L16 L17 H20 V27 I54 V56 I81L16-V25 HydrophobicContact CD2-CG1 3.76Å; L16-V25 HydrophobicContact CD2-CG2 4.13Å; L17-V25 HydrophobicContact CD2-CB 3.81Å; L17-V25 HydrophobicContact CD2-CG1 4.05Å; L17-V25 HydrophobicContact CD2-CG2 3.73Å; H20-V25 HydrophobicContact CB-CG2 4.36Å; V25-V27 HydrophobicContact CG1-CG2 4.11Å; V25-I54 CarbonylContact C-O 3.54Å; V25-I54 VanDerWaalsContact CA-O 3.28Å; V25-I54 WeakPolarHBondContact CA-O 3.4Å; V25-I54 HydrophobicContact CG1-CB 4.4Å; V25-I54 HydrophobicContact CG2-CB 4.1Å; V25-I54 HydrophobicContact CG2-CG1 4.45Å; V25-V56 HydrophobicContact CG1-CG2 3.66Å; V25-I81 HydrophobicContact CB-CB 4.41Å; V25-I81 PolarHBondContact N-O 2.95Å; V25-I81 PolarHBondContact O-N 2.98Å
26V98.5Very high95.9Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-115.4113.5-178.7-170.10000107.7L24 F44 A53 I54 F55 V56 I79 M101 I102L24-V26 HydrophobicContact CD2-CG2 3.99Å; L24-V26 HydrophobicContact CG-CG2 4.09Å; V26-F44 HydrophobicContact CG1-CE2 3.83Å; V26-F44 HydrophobicContact CG1-CZ 4.14Å; V26-A53 HydrophobicContact CG2-CB 4.3Å; V26-I54 PolarHBondContact N-O 3.26Å; V26-F55 HydrophobicContact CB-CD1 4.28Å; V26-F55 HydrophobicContact CB-CE1 4.39Å; V26-F55 HydrophobicContact CG2-CZ 4.49Å; V26-F55 CarbonylContact O-C 3.5Å; V26-F55 WeakPolarHBondContact O-CA 3.39Å; V26-V56 PolarHBondContact O-N 2.9Å; V26-I79 CarbonylContact C-O 3.48Å; V26-I79 WeakPolarHBondContact CA-O 3.3Å; V26-M101 HydrophobicContact CG1-CE 4.26Å; V26-I102 HydrophobicContact CG1-CD1 4.38Å; V26-I102 HydrophobicContact CG1-CG1 4.32Å; V26-I102 HydrophobicContact CG2-CD1 4.33Å; V26-I102 HydrophobicContact CG2-CG1 3.84Å
27V98.6Very high96.1Very high0 Ų049.9 Ų49.90%025%0.25CS..EExtended strand (participates in β ladder)trans-105.8121.6-174.3-167.80000109.6L13 V25 F29 V56 V58 F78 I79 I81L13-V27 HydrophobicContact CD1-CG2 3.97Å; L13-V27 HydrophobicContact CD2-CG2 4.46Å; V25-V27 HydrophobicContact CG1-CG2 4.11Å; V27-F29 HydrophobicContact CB-CD2 4.26Å; V27-F29 HydrophobicContact CB-CE2 3.78Å; V27-F29 HydrophobicContact CB-CZ 4.42Å; V27-F29 HydrophobicContact CG1-CD2 3.84Å; V27-F29 HydrophobicContact CG1-CE1 4.36Å; V27-F29 HydrophobicContact CG1-CE2 3.45Å; V27-F29 VanDerWaalsContact CG1-CE2 3.45Å; V27-F29 HydrophobicContact CG1-CG 4.44Å; V27-F29 HydrophobicContact CG1-CZ 3.76Å; V27-V56 CarbonylContact C-O 3.41Å; V27-V56 WeakPolarHBondContact CA-O 3.41Å; V27-V56 HydrophobicContact CB-CB 4.47Å; V27-V56 HydrophobicContact CG1-CB 4.27Å; V27-V56 HydrophobicContact CG1-CG1 4.25Å; V27-V56 HydrophobicContact CG2-CB 4.24Å; V27-V58 HydrophobicContact CG1-CB 4.23Å; V27-V58 HydrophobicContact CG1-CG2 3.52Å; V27-F78 CarbonylContact O-C 3.59Å; V27-F78 WeakPolarHBondContact O-CA 3.19Å; V27-I79 PolarHBondContact N-O 2.66Å; V27-I79 PolarHBondContact O-N 3.47Å; V27-I81 HydrophobicContact CG2-CD1 3.92Å
28D98.7Very high96.1Very high0 Ų055.6 Ų55.60%028%0.275CS..EExtended strand (participates in β ladder)trans-92.2105167.6173.522.6000109.3F44 V56 K57 V58 F78D28-F44 HydrophobicContact CB-CD1 4.03Å; D28-F44 HydrophobicContact CB-CE1 3.6Å; D28-F44 HydrophobicContact CB-CE2 4.23Å; D28-F44 HydrophobicContact CB-CZ 3.7Å; D28-V56 PolarHBondContact N-O 2.87Å; D28-K57 HydrophobicContact CB-CG 4.39Å; D28-K57 WeakPolarHBondContact O-CA 3.49Å; D28-V58 PolarHBondContact O-N 3.28Å; D28-F78 HydrophobicContact CB-CD1 3.85Å; D28-F78 HydrophobicContact CB-CE1 3.65Å; D28-F78 WeakPolarHBondContact OD1-CE1 3.39Å
29F98.8Very high96.3Very high0 Ų054.2 Ų54.20%028%0.275CS..EExtended strand (participates in β ladder)trans-85107.6170-67.6-91.7000109.1L13 V27 V58 V60 T66 Y70 I72 P76 T77 I79L13-F29 HydrophobicContact CD2-CZ 4.39Å; V27-F29 HydrophobicContact CB-CD2 4.26Å; V27-F29 HydrophobicContact CB-CE2 3.78Å; V27-F29 HydrophobicContact CB-CZ 4.42Å; V27-F29 HydrophobicContact CG1-CD2 3.84Å; V27-F29 HydrophobicContact CG1-CE1 4.36Å; V27-F29 HydrophobicContact CG1-CE2 3.45Å; V27-F29 VanDerWaalsContact CG1-CE2 3.45Å; V27-F29 HydrophobicContact CG1-CG 4.44Å; V27-F29 HydrophobicContact CG1-CZ 3.76Å; F29-V58 WeakPolarHBondContact CA-O 3.33Å; F29-V58 HydrophobicContact CD1-CB 3.68Å; F29-V58 HydrophobicContact CD1-CG1 3.57Å; F29-V58 HydrophobicContact CD1-CG2 4.42Å; F29-V58 HydrophobicContact CE1-CB 3.93Å; F29-V58 HydrophobicContact CE1-CG1 3.68Å; F29-V58 HydrophobicContact CE1-CG2 4.22Å; F29-V58 HydrophobicContact CG-CB 4.34Å; F29-V60 HydrophobicContact CB-CG1 3.91Å; F29-V60 HydrophobicContact CD1-CG1 4.22Å; F29-T66 HydrophobicContact CE1-CG2 4.15Å; F29-Y70 HydrophobicContact CE2-CG 4.44Å; F29-Y70 HydrophobicContact CZ-CD1 4.49Å; F29-Y70 AromaticContact CZ-CD2 3.91Å; F29-Y70 HydrophobicContact CZ-CD2 3.91Å; F29-Y70 AromaticContact CZ-CG 3.82Å; F29-Y70 HydrophobicContact CZ-CG 3.82Å; F29-I72 HydrophobicContact CB-CD1 4.12Å; F29-I72 HydrophobicContact CB-CG1 4.12Å; F29-I72 HydrophobicContact CB-CG2 3.97Å; F29-I72 HydrophobicContact CD1-CD1 4.04Å; F29-I72 HydrophobicContact CD1-CG1 3.59Å; F29-I72 HydrophobicContact CD2-CD1 3.53Å; F29-I72 HydrophobicContact CD2-CG1 4.06Å; F29-I72 HydrophobicContact CE1-CD1 4.29Å; F29-I72 HydrophobicContact CE1-CG1 3.88Å; F29-I72 HydrophobicContact CE2-CD1 3.84Å; F29-I72 HydrophobicContact CE2-CG1 4.34Å; F29-I72 HydrophobicContact CG-CD1 3.63Å; F29-I72 HydrophobicContact CG-CG1 3.66Å; F29-I72 HydrophobicContact CG-CG2 4.45Å; F29-I72 HydrophobicContact CZ-CD1 4.19Å; F29-I72 HydrophobicContact CZ-CG1 4.25Å; F29-P76 VanDerWaalsContact O-CA 3.27Å; F29-P76 WeakPolarHBondContact O-CA 3.43Å; F29-T77 WeakPolarHBondContact CB-O 3.41Å; F29-T77 PolarHBondContact N-O 3.46Å; F29-T77 PolarHBondContact O-N 3.03Å; F29-I79 HydrophobicContact CD2-CD1 4.28Å; F29-I79 HydrophobicContact CD2-CG1 4.26Å; F29-I79 HydrophobicContact CE2-CB 4.14Å; F29-I79 HydrophobicContact CE2-CD1 3.73Å; F29-I79 HydrophobicContact CE2-CG1 3.97Å; F29-I79 HydrophobicContact CZ-CD1 4.49Å
30F98.6Very high96.5Very high19 Ų1947.4 Ų47.48%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-122.4169.5-173.678.8-78.3000111.5T32 C37 K57 V58 D59 V60F30-T32 HydrophobicContact CE2-CG2 4.43Å; F30-C37 HydrophobicContact CB-CB 3.99Å; F30-K57 HydrophobicContact CD1-CB 4.1Å; F30-K57 HydrophobicContact CE1-CB 3.77Å; F30-V58 WeakPolarHBondContact CD1-O 3.37Å; F30-V58 VanDerWaalsContact CE1-C 3.49Å; F30-V58 PolarHBondContact N-O 3.3Å; F30-D59 HydrophobicContact CE1-CB 3.9Å; F30-D59 HydrophobicContact CE2-CB 4.34Å; F30-D59 HydrophobicContact CZ-CB 3.71Å; F30-D59 WeakPolarHBondContact O-CA 3.44Å; F30-V60 PolarHBondContact O-N 3.06Å
31A98.3Very high96.7Very high1 Ų146.6 Ų46.61%0.00825%0.246CC..  trans-132.8149.8167.400000110.2W33 C34 V60 M75A31-W33 VanDerWaalsContact C-N 3.27Å; A31-W33 HydrophobicContact CB-CD2 3.96Å; A31-W33 VanDerWaalsContact CB-CE2 3.46Å; A31-W33 HydrophobicContact CB-CG 4.35Å; A31-W33 HydrophobicContact CB-CH2 4.4Å; A31-W33 HydrophobicContact CB-CZ2 3.72Å; A31-W33 PolarHBondContact O-N 3.46Å; A31-C34 HydrophobicContact CB-CB 4.09Å; A31-C34 WeakPolarHBondContact O-CB 3.49Å; A31-C34 PolarHBondContact O-N 3.13Å; A31-C34 VanDerWaalsContact O-N 3.15Å; A31-V60 HydrophobicContact CB-CG2 4.03Å; A31-M75 HydrophobicContact CB-CE 4.01Å; A31-M75 HydrophobicContact CB-CG 4.25Å
32T97.1Very high97.1Very high79 Ų7944 Ų4449%0.48524%0.242SC..THydrogen-bonded Turntrans-67.5-28.1-175.860.40000113.5F30 K38F30-T32 HydrophobicContact CE2-CG2 4.43Å; T32-K38 WeakPolarHBondContact O-CE 3.44Å; T32-K38 PolarHBondContact O-NZ 2.87Å
33W96.2Very high97.5Very high165 Ų16540.8 Ų40.863%0.62523%0.225SC*.THydrogen-bonded Turntrans-85-9.6176.851.2-99.6000113.3A31 G35 D61 M75A31-W33 VanDerWaalsContact C-N 3.27Å; A31-W33 HydrophobicContact CB-CD2 3.96Å; A31-W33 VanDerWaalsContact CB-CE2 3.46Å; A31-W33 HydrophobicContact CB-CG 4.35Å; A31-W33 HydrophobicContact CB-CH2 4.4Å; A31-W33 HydrophobicContact CB-CZ2 3.72Å; A31-W33 PolarHBondContact O-N 3.46Å; W33-G35 PolarHBondContact O-N 3.18Å; W33-D61 VanDerWaalsContact CD1-OD2 3.31Å; W33-D61 PolarHBondContact NE1-OD2 3.01Å; W33-M75 HydrophobicContact CH2-CE 3.21Å; W33-M75 HydrophobicContact CZ2-CE 3.23Å; W33-M75 HydrophobicContact CZ3-CE 4.33Å
34C97Very high97.7Very high5 Ų537.9 Ų37.93%0.03421%0.212CC..  trans-78.7107.7-177.3163.30000111.4A31 C37 K38 M75A31-C34 HydrophobicContact CB-CB 4.09Å; A31-C34 WeakPolarHBondContact O-CB 3.49Å; A31-C34 PolarHBondContact O-N 3.13Å; A31-C34 VanDerWaalsContact O-N 3.15Å; C34-C37 HydrophobicContact CB-CB 3.72Å; C34-C37 WeakPolarHBondContact CB-SG 3.29Å; C34-C37 WeakPolarHBondContact O-CB 3.47Å; C34-C37 PolarHBondContact O-N 3.04Å; C34-C37 WeakPolarHBondContact SG-CB 3.35Å; C34-C37 PolarHBondContact SG-N 3.16Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 2.83Å; C34-K38 PolarHBondContact O-N 3.36Å; C34-M75 HydrophobicContact CB-CB 4.32Å; C34-M75 PolarHBondContact SG-O 3.03Å; C34-M75 VanDerWaalsContact SG-O 3.4Å
35G96.6Very high97.7Very high40 Ų4042.7 Ų42.741%0.41223%0.233SC..Hα-helixtrans-54.6-52.2176.100000113.9W33 C37 K38 T39W33-G35 PolarHBondContact O-N 3.18Å; G35-C37 PolarHBondContact O-N 3.29Å; G35-K38 WeakPolarHBondContact O-CB 3.45Å; G35-K38 PolarHBondContact O-N 3.27Å; G35-T39 PolarHBondContact O-N 3.02Å
36P97.8Very high97.6Very high68 Ų6848.2 Ų48.244%0.44226%0.258SS..Hα-helixtrans-57.6-33.7177.7-2735.6000113.8K38 T39 I40 A93P36-K38 VanDerWaalsContact C-N 3.35Å; P36-T39 PolarHBondContact O-N 3.1Å; P36-I40 WeakPolarHBondContact O-CG2 3.02Å; P36-I40 PolarHBondContact O-N 3.36Å; P36-I40 VanDerWaalsContact O-N 3.12Å; P36-A93 HydrophobicContact CB-CB 3.75Å
37C98Very high97.5Very high3 Ų348.7 Ų48.72%0.0226%0.261CS..Hα-helixtrans-62.7-41.6175.9-55.60000111.4F30 C34 G35 T39 I40 A41 P76F30-C37 HydrophobicContact CB-CB 3.99Å; C34-C37 HydrophobicContact CB-CB 3.72Å; C34-C37 WeakPolarHBondContact CB-SG 3.29Å; C34-C37 WeakPolarHBondContact O-CB 3.47Å; C34-C37 PolarHBondContact O-N 3.04Å; C34-C37 WeakPolarHBondContact SG-CB 3.35Å; C34-C37 PolarHBondContact SG-N 3.16Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 2.83Å; G35-C37 PolarHBondContact O-N 3.29Å; C37-T39 VanDerWaalsContact C-N 3.33Å; C37-T39 PolarHBondContact O-N 3.08Å; C37-I40 PolarHBondContact O-N 3.12Å; C37-A41 WeakPolarHBondContact O-CB 3.27Å; C37-A41 PolarHBondContact O-N 3.01Å; C37-P76 VanDerWaalsContact SG-CD 3.57Å; C37-P76 VanDerWaalsContact SG-N 3.4Å
38K97.2Very high97.5Very high137 Ų13748.9 Ų48.960%0.59626%0.262SS*.Hα-helixtrans-63.4-38.9175.8-63.8177.5-178175.60111.9T32 C34 G35 P36 P42T32-K38 WeakPolarHBondContact O-CE 3.44Å; T32-K38 PolarHBondContact O-NZ 2.87Å; C34-K38 PolarHBondContact O-N 3.36Å; G35-K38 WeakPolarHBondContact O-CB 3.45Å; G35-K38 PolarHBondContact O-N 3.27Å; P36-K38 VanDerWaalsContact C-N 3.35Å; K38-P42 WeakPolarHBondContact O-CD 3.4Å
39T97.2Very high97.3Very high103 Ų10354.6 Ų54.663%0.63229%0.289SS*.Hα-helixtrans-66.9-41.6179.9-57.40000112.4G35 P36 C37G35-T39 PolarHBondContact O-N 3.02Å; P36-T39 PolarHBondContact O-N 3.1Å; C37-T39 VanDerWaalsContact C-N 3.33Å; C37-T39 PolarHBondContact O-N 3.08Å
40I97.7Very high97.2Very high3 Ų361 Ų612%0.01532%0.317CS..Hα-helixtrans-86-20.5-176.3-163.5160.6000113.5P36 C37 L43 F44 P76 F78 A93 I95P36-I40 WeakPolarHBondContact O-CG2 3.02Å; P36-I40 PolarHBondContact O-N 3.36Å; P36-I40 VanDerWaalsContact O-N 3.12Å; C37-I40 PolarHBondContact O-N 3.12Å; I40-L43 CarbonylContact O-C 3.58Å; I40-L43 WeakPolarHBondContact O-CB 3.25Å; I40-L43 PolarHBondContact O-N 3.25Å; I40-F44 PolarHBondContact O-N 3.46Å; I40-P76 HydrophobicContact CG2-CG 4.11Å; I40-F78 HydrophobicContact CD1-CE2 3.86Å; I40-F78 HydrophobicContact CD1-CZ 3.64Å; I40-F78 HydrophobicContact CG1-CZ 4.13Å; I40-F78 HydrophobicContact CG2-CZ 3.79Å; I40-A93 HydrophobicContact CB-CB 4.15Å; I40-A93 HydrophobicContact CD1-CB 4.2Å; I40-A93 HydrophobicContact CG2-CB 4.28Å; I40-I95 HydrophobicContact CD1-CB 4.23Å; I40-I95 HydrophobicContact CD1-CD1 4.21Å; I40-I95 HydrophobicContact CG1-CB 4.49Å; I40-I95 HydrophobicContact CG1-CD1 4.01Å
41A97.4Very high97.1Very high32 Ų3261.4 Ų61.426%0.26432%0.318SS..Hα-helixtrans-53.8-43.6-177.500000114.6C37 L43 F44 K45C37-A41 WeakPolarHBondContact O-CB 3.27Å; C37-A41 PolarHBondContact O-N 3.01Å; A41-L43 VanDerWaalsContact C-N 3.35Å; A41-L43 PolarHBondContact O-N 3.43Å; A41-F44 PolarHBondContact O-N 3.35Å; A41-K45 PolarHBondContact O-N 2.87Å
42P97Very high96.9Very high75 Ų7565.8 Ų65.849%0.48734%0.341SS..Hα-helixtrans-62.7-40.7174.5-22.133.9000112.7K38 K45 E46K38-P42 WeakPolarHBondContact O-CD 3.4Å; P42-K45 WeakPolarHBondContact O-CB 3.07Å; P42-K45 PolarHBondContact O-N 2.9Å; P42-E46 PolarHBondContact O-N 2.99Å
43L97.7Very high96.8Very high63 Ų6362 Ų6233%0.3332%0.318SS..Hα-helixtrans-69.1-38.1179.5-56.5174.7000111.5I40 A41 K45 E46 L47 I95I40-L43 CarbonylContact O-C 3.58Å; I40-L43 WeakPolarHBondContact O-CB 3.25Å; I40-L43 PolarHBondContact O-N 3.25Å; A41-L43 VanDerWaalsContact C-N 3.35Å; A41-L43 PolarHBondContact O-N 3.43Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 2.82Å; L43-E46 WeakPolarHBondContact O-CB 3.49Å; L43-E46 PolarHBondContact O-N 2.72Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.87Å; L43-I95 HydrophobicContact CB-CB 4.44Å; L43-I95 HydrophobicContact CB-CD1 3.55Å; L43-I95 HydrophobicContact CB-CG1 3.8Å; L43-I95 HydrophobicContact CD1-CB 4.12Å; L43-I95 HydrophobicContact CD1-CG1 4.31Å; L43-I95 HydrophobicContact CD1-CG2 4.15Å
44F97.7Very high96.9Very high0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-63.1-37.8173.7-171.4-110.6000111.4L4 V26 D28 I40 A41 L47 S48 F55 K57 F78 V98L4-F44 HydrophobicContact CD1-CD1 3.8Å; L4-F44 HydrophobicContact CD1-CE1 3.6Å; V26-F44 HydrophobicContact CG1-CE2 3.83Å; V26-F44 HydrophobicContact CG1-CZ 4.14Å; D28-F44 HydrophobicContact CB-CD1 4.03Å; D28-F44 HydrophobicContact CB-CE1 3.6Å; D28-F44 HydrophobicContact CB-CE2 4.23Å; D28-F44 HydrophobicContact CB-CZ 3.7Å; I40-F44 PolarHBondContact O-N 3.46Å; A41-F44 PolarHBondContact O-N 3.35Å; F44-L47 PolarHBondContact O-N 3.13Å; F44-S48 PolarHBondContact O-N 3.06Å; F44-F55 HydrophobicContact CD1-CD1 4.39Å; F44-F55 HydrophobicContact CD2-CD1 4.08Å; F44-F55 HydrophobicContact CD2-CE1 4.4Å; F44-F55 HydrophobicContact CE1-CB 4.01Å; F44-F55 AromaticContact CE1-CD1 3.92Å; F44-F55 HydrophobicContact CE1-CD1 3.92Å; F44-F55 HydrophobicContact CE1-CG 4.49Å; F44-F55 AromaticContact CE2-CD1 3.57Å; F44-F55 HydrophobicContact CE2-CD1 3.57Å; F44-F55 HydrophobicContact CE2-CE1 4.03Å; F44-F55 HydrophobicContact CG-CD1 4.48Å; F44-F55 HydrophobicContact CZ-CB 4.09Å; F44-F55 AromaticContact CZ-CD1 3.49Å; F44-F55 HydrophobicContact CZ-CD1 3.49Å; F44-F55 VanDerWaalsContact CZ-CD1 3.49Å; F44-F55 HydrophobicContact CZ-CE1 4.38Å; F44-F55 HydrophobicContact CZ-CG 4.25Å; F44-K57 HydrophobicContact CE1-CG 4.34Å; F44-F78 AromaticContact CD2-CD1 3.98Å; F44-F78 HydrophobicContact CD2-CD1 3.98Å; F44-F78 AromaticContact CD2-CE1 3.67Å; F44-F78 HydrophobicContact CD2-CE1 3.67Å; F44-F78 AromaticContact CE2-CD1 3.74Å; F44-F78 HydrophobicContact CE2-CD1 3.74Å; F44-F78 AromaticContact CE2-CE1 3.9Å; F44-F78 HydrophobicContact CE2-CE1 3.9Å; F44-F78 HydrophobicContact CG-CE1 4.23Å; F44-F78 HydrophobicContact CZ-CD1 4.45Å; F44-V98 HydrophobicContact CD2-CG1 4.36Å; F44-V98 HydrophobicContact CE2-CG1 4.4Å
45K97.5Very high96.9Very high102 Ų10254.6 Ų54.644%0.44329%0.29SS..Hα-helixtrans-62.6-42.6171.2-179.6-178.6175.1-67.20111.9L4 A41 P42 L43 L47 S48 E49L4-K45 HydrophobicContact CD2-CB 3.98Å; L4-K45 HydrophobicContact CD2-CG 4.15Å; A41-K45 PolarHBondContact O-N 2.87Å; P42-K45 WeakPolarHBondContact O-CB 3.07Å; P42-K45 PolarHBondContact O-N 2.9Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 2.82Å; K45-L47 VanDerWaalsContact C-N 3.34Å; K45-L47 PolarHBondContact O-N 2.83Å; K45-S48 WeakPolarHBondContact O-CB 3.36Å; K45-S48 PolarHBondContact O-N 2.89Å; K45-S48 VanDerWaalsContact O-N 3.1Å; K45-S48 PolarHBondContact O-OG 2.82Å; K45-E49 IonicContact NZ-OE1 3.79Å; K45-E49 PolarHBondContact NZ-OE1 2.8Å; K45-E49 PolarHBondContact O-N 2.79Å
46E96.5Very high97Very high117 Ų11752.7 Ų52.755%0.54727%0.271SS..Hα-helixtrans-60.7-41.9175.1-69.2174.1-17700112.1P42 L43 S48 E49 K50P42-E46 PolarHBondContact O-N 2.99Å; L43-E46 WeakPolarHBondContact O-CB 3.49Å; L43-E46 PolarHBondContact O-N 2.72Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.83Å; E46-E49 PolarHBondContact O-N 2.79Å; E46-E49 VanDerWaalsContact O-N 3.12Å; E46-K50 PolarHBondContact O-N 3.35Å; E46-K50 VanDerWaalsContact O-N 3.08Å
47L96.7Very high97.1Very high11 Ų1151 Ų516%0.05826%0.256CS..Hα-helixtrans-60.9-37.3173.8-64.1-177.4000111.8L43 F44 K45 E49 K50 Y51 F55 I95 V98 E99 I102L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.87Å; F44-L47 PolarHBondContact O-N 3.13Å; K45-L47 VanDerWaalsContact C-N 3.34Å; K45-L47 PolarHBondContact O-N 2.83Å; L47-E49 PolarHBondContact O-N 2.79Å; L47-K50 PolarHBondContact O-N 3.34Å; L47-K50 VanDerWaalsContact O-N 3.16Å; L47-Y51 HydrophobicContact CB-CD2 4.35Å; L47-Y51 HydrophobicContact CD2-CD2 4.28Å; L47-Y51 HydrophobicContact CD2-CE2 3.79Å; L47-Y51 WeakPolarHBondContact O-CD2 3.28Å; L47-Y51 PolarHBondContact O-N 3.47Å; L47-F55 HydrophobicContact CB-CE1 3.61Å; L47-F55 HydrophobicContact CB-CZ 3.97Å; L47-F55 WeakPolarHBondContact O-CZ 3.4Å; L47-I95 HydrophobicContact CD1-CD1 3.35Å; L47-I95 HydrophobicContact CD1-CG1 4.06Å; L47-I95 HydrophobicContact CG-CD1 3.93Å; L47-I95 HydrophobicContact CG-CG1 4.48Å; L47-V98 HydrophobicContact CD1-CB 4.47Å; L47-V98 HydrophobicContact CD1-CG1 3.93Å; L47-E99 HydrophobicContact CD1-CB 4.32Å; L47-E99 HydrophobicContact CD2-CB 4.08Å; L47-E99 HydrophobicContact CD2-CG 3.91Å; L47-I102 HydrophobicContact CB-CD1 4.47Å; L47-I102 HydrophobicContact CD1-CD1 3.96Å
48S96.8Very high97.1Very high3 Ų350.9 Ų50.92%0.02126%0.255CS..Hα-helixtrans-62.6-27.9176.684.30000113.5K3 F44 K45 E46 F55K3-S48 VanDerWaalsContact CB-O 3.27Å; K3-S48 WeakPolarHBondContact CB-O 3.11Å; K3-S48 WeakPolarHBondContact CD-O 3.41Å; F44-S48 PolarHBondContact O-N 3.06Å; K45-S48 WeakPolarHBondContact O-CB 3.36Å; K45-S48 PolarHBondContact O-N 2.89Å; K45-S48 VanDerWaalsContact O-N 3.1Å; K45-S48 PolarHBondContact O-OG 2.82Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.83Å; S48-F55 VanDerWaalsContact CA-CD2 3.45Å; S48-F55 VanDerWaalsContact CB-CG 3.43Å
49E96.1Very high97.2Very high121 Ų12144.6 Ų44.657%0.56523%0.228SC*.Hα-helixtrans-82.7-33.7176.6-66.9168.9-174.800111.1K45 E46 L47K45-E49 IonicContact NZ-OE1 3.79Å; K45-E49 PolarHBondContact NZ-OE1 2.8Å; K45-E49 PolarHBondContact O-N 2.79Å; E46-E49 PolarHBondContact O-N 2.79Å; E46-E49 VanDerWaalsContact O-N 3.12Å; L47-E49 PolarHBondContact O-N 2.79Å
50K95.8Very high97.2Very high135 Ų13540.4 Ų40.459%0.58720%0.202SC*.Hα-helixtrans-76.1-38.9-176.8-175.8174.3176.9-177.30114.5E46 L47 E99E46-K50 PolarHBondContact O-N 3.35Å; E46-K50 VanDerWaalsContact O-N 3.08Å; L47-K50 PolarHBondContact O-N 3.34Å; L47-K50 VanDerWaalsContact O-N 3.16Å; K50-E99 WeakPolarHBondContact CE-OE1 3.32Å; K50-E99 IonicContact NZ-OE1 2.66Å; K50-E99 PolarHBondContact NZ-OE1 2.77Å
51Y95.9Very high97.2Very high27 Ų2743.9 Ų43.911%0.10622%0.221CC..SBendtrans-106.4147-171.7-67.8-76.1000112.5K3 L47 A53 E99 I102 K103 I106K3-Y51 PolarHBondContact NZ-O 3.21Å; L47-Y51 HydrophobicContact CB-CD2 4.35Å; L47-Y51 HydrophobicContact CD2-CD2 4.28Å; L47-Y51 HydrophobicContact CD2-CE2 3.79Å; L47-Y51 WeakPolarHBondContact O-CD2 3.28Å; L47-Y51 PolarHBondContact O-N 3.47Å; Y51-A53 PolarHBondContact O-N 3.46Å; Y51-A53 VanDerWaalsContact O-N 3.13Å; Y51-E99 HydrophobicContact CE2-CG 3.77Å; Y51-E99 WeakPolarHBondContact CE2-OE1 2.97Å; Y51-E99 VanDerWaalsContact OH-CG 3.26Å; Y51-E99 WeakPolarHBondContact OH-CG 3.11Å; Y51-E99 PolarHBondContact OH-OE1 3.35Å; Y51-I102 HydrophobicContact CD1-CG2 3.85Å; Y51-I102 HydrophobicContact CD2-CG2 4.03Å; Y51-I102 HydrophobicContact CE1-CG2 4.34Å; Y51-I102 HydrophobicContact CG-CG2 3.69Å; Y51-K103 HydrophobicContact CE1-CG 4.23Å; Y51-K103 WeakPolarHBondContact OH-CE 3.22Å; Y51-I106 HydrophobicContact CD1-CD1 3.92Å; Y51-I106 HydrophobicContact CG-CD1 4.3Å
52D94.7Very high97.2Very high92 Ų9248.4 Ų48.449%0.49224%0.235SC..SBendtrans-85.865.2170.3-169.631.8000111.6K3 K23K3-D52 IonicContact NZ-OD1 3.77Å; K23-D52 IonicContact NZ-OD1 2.81Å; K23-D52 PolarHBondContact NZ-OD1 2.82Å; K23-D52 IonicContact NZ-OD2 2.77Å; K23-D52 PolarHBondContact NZ-OD2 3.01Å
53A95.8Very high97.3Very high0 Ų044.9 Ų44.90%021%0.212CC..SBendtrans-128.3165.2171.500000109L24 V26 Y51 F55 I106L24-A53 HydrophobicContact CB-CB 3.98Å; L24-A53 HydrophobicContact CD2-CB 4.24Å; L24-A53 HydrophobicContact CG-CB 4.31Å; L24-A53 CarbonylContact O-C 3.6Å; L24-A53 WeakPolarHBondContact O-CA 3.4Å; L24-A53 WeakPolarHBondContact O-CB 3.38Å; V26-A53 HydrophobicContact CG2-CB 4.3Å; Y51-A53 PolarHBondContact O-N 3.46Å; Y51-A53 VanDerWaalsContact O-N 3.13Å; A53-F55 HydrophobicContact CB-CD2 4.3Å; A53-F55 HydrophobicContact CB-CE2 3.76Å; A53-F55 WeakPolarHBondContact O-CD2 3.48Å; A53-I106 HydrophobicContact CB-CD1 4.38Å
54I97Very high97.3Very high15 Ų1546.6 Ų46.68%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-91.5119.2172.2-51.5-59.9000107.7I5 L16 H20 K23 L24 V25 V26 V56I5-I54 HydrophobicContact CD1-CG2 4.02Å; L16-I54 HydrophobicContact CD1-CG2 4.37Å; L16-I54 HydrophobicContact CD2-CG2 3.98Å; H20-I54 HydrophobicContact CB-CG1 4.06Å; K23-I54 HydrophobicContact CB-CG1 4.23Å; K23-I54 HydrophobicContact CD-CD1 3.97Å; K23-I54 HydrophobicContact CD-CG1 4.16Å; L24-I54 PolarHBondContact O-N 2.86Å; V25-I54 CarbonylContact C-O 3.54Å; V25-I54 VanDerWaalsContact CA-O 3.28Å; V25-I54 WeakPolarHBondContact CA-O 3.4Å; V25-I54 HydrophobicContact CG1-CB 4.4Å; V25-I54 HydrophobicContact CG2-CB 4.1Å; V25-I54 HydrophobicContact CG2-CG1 4.45Å; V26-I54 PolarHBondContact N-O 3.26Å; I54-V56 HydrophobicContact CG2-CG2 4.05Å
55F98.4Very high97.4Very high0 Ų052.6 Ų52.60%025%0.246CC..EExtended strand (participates in β ladder)trans-99.1133.3177.7-69.8-114.7000108.5K3 L4 I5 V26 F44 L47 S48 A53 I102K3-F55 WeakPolarHBondContact O-CA 3.46Å; K3-F55 WeakPolarHBondContact O-CB 3.21Å; K3-F55 PolarHBondContact O-N 3.04Å; L4-F55 CarbonylContact C-O 3.5Å; L4-F55 VanDerWaalsContact CA-O 3.3Å; L4-F55 WeakPolarHBondContact CA-O 3.39Å; L4-F55 HydrophobicContact CD1-CB 3.69Å; I5-F55 PolarHBondContact N-O 3.42Å; V26-F55 HydrophobicContact CB-CD1 4.28Å; V26-F55 HydrophobicContact CB-CE1 4.39Å; V26-F55 HydrophobicContact CG2-CZ 4.49Å; V26-F55 CarbonylContact O-C 3.5Å; V26-F55 WeakPolarHBondContact O-CA 3.39Å; F44-F55 HydrophobicContact CD1-CD1 4.39Å; F44-F55 HydrophobicContact CD2-CD1 4.08Å; F44-F55 HydrophobicContact CD2-CE1 4.4Å; F44-F55 HydrophobicContact CE1-CB 4.01Å; F44-F55 AromaticContact CE1-CD1 3.92Å; F44-F55 HydrophobicContact CE1-CD1 3.92Å; F44-F55 HydrophobicContact CE1-CG 4.49Å; F44-F55 AromaticContact CE2-CD1 3.57Å; F44-F55 HydrophobicContact CE2-CD1 3.57Å; F44-F55 HydrophobicContact CE2-CE1 4.03Å; F44-F55 HydrophobicContact CG-CD1 4.48Å; F44-F55 HydrophobicContact CZ-CB 4.09Å; F44-F55 AromaticContact CZ-CD1 3.49Å; F44-F55 HydrophobicContact CZ-CD1 3.49Å; F44-F55 VanDerWaalsContact CZ-CD1 3.49Å; F44-F55 HydrophobicContact CZ-CE1 4.38Å; F44-F55 HydrophobicContact CZ-CG 4.25Å; L47-F55 HydrophobicContact CB-CE1 3.61Å; L47-F55 HydrophobicContact CB-CZ 3.97Å; L47-F55 WeakPolarHBondContact O-CZ 3.4Å; S48-F55 VanDerWaalsContact CA-CD2 3.45Å; S48-F55 VanDerWaalsContact CB-CG 3.43Å; A53-F55 HydrophobicContact CB-CD2 4.3Å; A53-F55 HydrophobicContact CB-CE2 3.76Å; A53-F55 WeakPolarHBondContact O-CD2 3.48Å; F55-I102 HydrophobicContact CE1-CD1 3.7Å; F55-I102 HydrophobicContact CZ-CD1 3.74Å
56V98.4Very high97.4Very high0 Ų047.9 Ų47.90%023%0.226CC..EExtended strand (participates in β ladder)trans-129.9140.1-172.9-176.70000109I5 L7 L13 L16 V25 V26 V27 D28 I54 V58I5-V56 CarbonylContact O-C 3.54Å; I5-V56 WeakPolarHBondContact O-CA 3.48Å; L7-V56 HydrophobicContact CD1-CG1 3.72Å; L7-V56 HydrophobicContact CD2-CG1 3.85Å; L7-V56 HydrophobicContact CG-CG1 3.47Å; L7-V56 VanDerWaalsContact CG-CG1 3.47Å; L13-V56 HydrophobicContact CD1-CG1 4.49Å; L16-V56 HydrophobicContact CD1-CG2 3.77Å; L16-V56 HydrophobicContact CD2-CG2 3.93Å; V25-V56 HydrophobicContact CG1-CG2 3.66Å; V26-V56 PolarHBondContact O-N 2.9Å; V27-V56 CarbonylContact C-O 3.41Å; V27-V56 WeakPolarHBondContact CA-O 3.41Å; V27-V56 HydrophobicContact CB-CB 4.47Å; V27-V56 HydrophobicContact CG1-CB 4.27Å; V27-V56 HydrophobicContact CG1-CG1 4.25Å; V27-V56 HydrophobicContact CG2-CB 4.24Å; D28-V56 PolarHBondContact N-O 2.87Å; I54-V56 HydrophobicContact CG2-CG2 4.05Å; V56-V58 HydrophobicContact CG1-CG2 4.17Å
57K98.5Very high97.5Very high33 Ų3342.7 Ų42.714%0.14320%0.203CC..EExtended strand (participates in β ladder)trans-112.5132.3169.9-68.7-176.567.2-131.40109.4L4 I5 E6 L7 D28 F30 F44L4-K57 HydrophobicContact CD1-CD 4.25Å; L4-K57 HydrophobicContact CD1-CG 3.93Å; L4-K57 HydrophobicContact CD2-CD 4.38Å; I5-K57 PolarHBondContact O-N 3.18Å; E6-K57 WeakPolarHBondContact CA-O 3.34Å; E6-K57 HydrophobicContact CB-CB 4.18Å; E6-K57 HydrophobicContact CG-CB 4.06Å; E6-K57 IonicContact OE2-NZ 2.7Å; E6-K57 PolarHBondContact OE2-NZ 3.03Å; L7-K57 PolarHBondContact N-O 3.49Å; D28-K57 HydrophobicContact CB-CG 4.39Å; D28-K57 WeakPolarHBondContact O-CA 3.49Å; F30-K57 HydrophobicContact CD1-CB 4.1Å; F30-K57 HydrophobicContact CE1-CB 3.77Å; F44-K57 HydrophobicContact CE1-CG 4.34Å
58V98.7Very high97.5Very high0 Ų048.8 Ų48.80%023%0.225CC..EExtended strand (participates in β ladder)trans-125.3115.6177.61760000108.5L7 V27 D28 F29 F30 V56 V60 L63 T66L7-V58 HydrophobicContact CD1-CG2 3.89Å; L7-V58 HydrophobicContact CG-CG2 4.26Å; V27-V58 HydrophobicContact CG1-CB 4.23Å; V27-V58 HydrophobicContact CG1-CG2 3.52Å; D28-V58 PolarHBondContact O-N 3.28Å; F29-V58 WeakPolarHBondContact CA-O 3.33Å; F29-V58 HydrophobicContact CD1-CB 3.68Å; F29-V58 HydrophobicContact CD1-CG1 3.57Å; F29-V58 HydrophobicContact CD1-CG2 4.42Å; F29-V58 HydrophobicContact CE1-CB 3.93Å; F29-V58 HydrophobicContact CE1-CG1 3.68Å; F29-V58 HydrophobicContact CE1-CG2 4.22Å; F29-V58 HydrophobicContact CG-CB 4.34Å; F30-V58 WeakPolarHBondContact CD1-O 3.37Å; F30-V58 VanDerWaalsContact CE1-C 3.49Å; F30-V58 PolarHBondContact N-O 3.3Å; V56-V58 HydrophobicContact CG1-CG2 4.17Å; V58-V60 PolarHBondContact O-N 2.61Å; V58-L63 HydrophobicContact CG1-CB 3.91Å; V58-L63 HydrophobicContact CG1-CD2 4.11Å; V58-T66 HydrophobicContact CG1-CG2 4.37Å
59D98.6Very high97.6Very high4 Ų454.6 Ų54.62%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-79.7108.4173-169.8-17.2000108.4F30 D61 K62 L63F30-D59 HydrophobicContact CE1-CB 3.9Å; F30-D59 HydrophobicContact CE2-CB 4.34Å; F30-D59 HydrophobicContact CZ-CB 3.71Å; F30-D59 WeakPolarHBondContact O-CA 3.44Å; D59-D61 PolarHBondContact O-N 2.65Å; D59-D61 PolarHBondContact OD1-N 3.33Å; D59-K62 HydrophobicContact CB-CB 4.21Å; D59-K62 HydrophobicContact CB-CD 4.12Å; D59-K62 HydrophobicContact CB-CG 4.24Å; D59-K62 PolarHBondContact O-N 3.38Å; D59-K62 WeakPolarHBondContact OD2-CD 3.37Å; D59-K62 WeakPolarHBondContact OD2-CE 3.44Å; D59-K62 IonicContact OD2-NZ 3.36Å; D59-K62 PolarHBondContact OD2-NZ 2.95Å; D59-L63 PolarHBondContact O-N 3.42Å
60V98.4Very high97.6Very high15 Ų1550.5 Ų50.59%0.09123%0.23CC..THydrogen-bonded Turntrans-64.7-23.5-172-58.90000113.1F29 F30 A31 V58 K62 A67 I72 M75F29-V60 HydrophobicContact CB-CG1 3.91Å; F29-V60 HydrophobicContact CD1-CG1 4.22Å; F30-V60 PolarHBondContact O-N 3.06Å; A31-V60 HydrophobicContact CB-CG2 4.03Å; V58-V60 PolarHBondContact O-N 2.61Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-A67 HydrophobicContact CB-CB 3.95Å; V60-A67 HydrophobicContact CG1-CB 4.04Å; V60-I72 HydrophobicContact CG1-CG2 4.02Å; V60-M75 HydrophobicContact CG1-CG 4.09Å; V60-M75 HydrophobicContact CG1-SD 4.34Å; V60-M75 HydrophobicContact CG2-CE 3.84Å; V60-M75 HydrophobicContact CG2-CG 3.93Å; V60-M75 HydrophobicContact CG2-SD 3.83Å
61D97.7Very high97.6Very high77 Ų7750.8 Ų50.841%0.41224%0.238SC..THydrogen-bonded Turntrans-79.6-18.3178.3-61.4-34.4000111.6W33 D59W33-D61 VanDerWaalsContact CD1-OD2 3.31Å; W33-D61 PolarHBondContact NE1-OD2 3.01Å; D59-D61 PolarHBondContact O-N 2.65Å; D59-D61 PolarHBondContact OD1-N 3.33Å
62K98.2Very high97.7Very high127 Ų12750.9 Ų50.955%0.55224%0.24SC*.THydrogen-bonded Turntrans-104-33.8179.7-64.6-179.7-172.8138.10113.2D59 V60D59-K62 HydrophobicContact CB-CB 4.21Å; D59-K62 HydrophobicContact CB-CD 4.12Å; D59-K62 HydrophobicContact CB-CG 4.24Å; D59-K62 PolarHBondContact O-N 3.38Å; D59-K62 WeakPolarHBondContact OD2-CD 3.37Å; D59-K62 WeakPolarHBondContact OD2-CE 3.44Å; D59-K62 IonicContact OD2-NZ 3.36Å; D59-K62 PolarHBondContact OD2-NZ 2.95Å; V60-K62 VanDerWaalsContact C-N 3.32Å
63L98.4Very high97.8Very high0 Ų052.1 Ų52.10%026%0.256CS..  trans-113.261.3-178.1-77.670.9000108.8L7 Q9 D10 V58 D59 E65 T66 A67L7-L63 HydrophobicContact CB-CD2 3.57Å; L7-L63 HydrophobicContact CD1-CD2 4.42Å; Q9-L63 WeakPolarHBondContact O-CD2 3.49Å; D10-L63 VanDerWaalsContact OD1-CA 3.28Å; D10-L63 WeakPolarHBondContact OD1-CA 3.37Å; D10-L63 WeakPolarHBondContact OD1-CB 3.39Å; V58-L63 HydrophobicContact CG1-CB 3.91Å; V58-L63 HydrophobicContact CG1-CD2 4.11Å; D59-L63 PolarHBondContact O-N 3.42Å; L63-E65 VanDerWaalsContact C-N 3.33Å; L63-E65 PolarHBondContact O-N 3.38Å; L63-T66 PolarHBondContact O-N 3.24Å; L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 2.63Å
64E97.9Very high97.9Very high99 Ų9953.9 Ų53.946%0.46327%0.27SS..Hα-helixtrans-66.4-35-171.9-59.8-175.8-170.100112.3A67 R68E64-A67 PolarHBondContact O-N 3.4Å; E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 VanDerWaalsContact O-CG 3.28Å; E64-R68 WeakPolarHBondContact O-CG 3.3Å; E64-R68 PolarHBondContact O-N 3.26Å; E64-R68 IonicContact OE2-CZ 2.83Å; E64-R68 IonicContact OE2-NH1 3.98Å; E64-R68 PolarHBondContact OE2-NH1 3.05Å; E64-R68 IonicContact OE2-NH2 2.72Å
65E98.4Very high97.9Very high127 Ų12755.3 Ų55.359%0.59328%0.277SS*.Hα-helixtrans-67.2-42.3178.1-63.6-174.9172.100110.8D10 L63 R68 K69D10-E65 HydrophobicContact CB-CB 4.17Å; D10-E65 PolarHBondContact OD1-N 3.22Å; L63-E65 VanDerWaalsContact C-N 3.33Å; L63-E65 PolarHBondContact O-N 3.38Å; E65-R68 PolarHBondContact O-N 2.9Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 PolarHBondContact O-N 2.84Å
66T98.2Very high97.9Very high3 Ų355.4 Ų55.42%0.01828%0.277CS..Hα-helixtrans-61-48.5174.1-52.50000110.1D10 L13 F29 V58 L63 R68 K69 Y70D10-T66 WeakPolarHBondContact OD1-CB 3.22Å; D10-T66 PolarHBondContact OD1-N 3.1Å; D10-T66 PolarHBondContact OD1-OG1 3.47Å; L13-T66 HydrophobicContact CB-CG2 4.12Å; L13-T66 HydrophobicContact CD2-CG2 3.67Å; F29-T66 HydrophobicContact CE1-CG2 4.15Å; V58-T66 HydrophobicContact CG1-CG2 4.37Å; L63-T66 PolarHBondContact O-N 3.24Å; T66-R68 VanDerWaalsContact C-N 3.34Å; T66-R68 PolarHBondContact O-N 3.4Å; T66-K69 PolarHBondContact O-N 2.76Å; T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 4.41Å; T66-Y70 WeakPolarHBondContact O-CD2 3.27Å; T66-Y70 PolarHBondContact O-N 2.85Å
67A98.3Very high97.9Very high8 Ų855.8 Ų55.87%0.06628%0.28CS..Hα-helixtrans-59.9-42.6177.400000112.2V60 L63 E64 Y70 N71 I72V60-A67 HydrophobicContact CB-CB 3.95Å; V60-A67 HydrophobicContact CG1-CB 4.04Å; L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 2.63Å; E64-A67 PolarHBondContact O-N 3.4Å; A67-Y70 PolarHBondContact O-N 2.87Å; A67-N71 PolarHBondContact O-N 3.25Å; A67-I72 HydrophobicContact CB-CB 4.32Å; A67-I72 HydrophobicContact CB-CG1 4.44Å; A67-I72 WeakPolarHBondContact O-CG1 3.44Å; A67-I72 PolarHBondContact O-N 3.25Å
68R98.1Very high97.9Very high138 Ų13854.2 Ų54.252%0.52127%0.273SS..Hα-helixtrans-62.5-46174.6-77.7-173.7-69.8-96.22.4112.1E64 E65 T66 Y70 N71E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 VanDerWaalsContact O-CG 3.28Å; E64-R68 WeakPolarHBondContact O-CG 3.3Å; E64-R68 PolarHBondContact O-N 3.26Å; E64-R68 IonicContact OE2-CZ 2.83Å; E64-R68 IonicContact OE2-NH1 3.98Å; E64-R68 PolarHBondContact OE2-NH1 3.05Å; E64-R68 IonicContact OE2-NH2 2.72Å; E65-R68 PolarHBondContact O-N 2.9Å; T66-R68 VanDerWaalsContact C-N 3.34Å; T66-R68 PolarHBondContact O-N 3.4Å; R68-Y70 PolarHBondContact O-N 2.86Å; R68-N71 PolarHBondContact O-N 3.22Å; R68-N71 PolarHBondContact O-OD1 3.27Å
69K97.2Very high97.9Very high125 Ų12554.3 Ų54.354%0.54327%0.273SS..Hα-helixtrans-57.6-36.5-179.9-179.6175.8177.6178.50112.6E14 E65 T66 N71E14-K69 WeakPolarHBondContact OE1-CD 3.41Å; E14-K69 IonicContact OE1-NZ 2.86Å; E14-K69 PolarHBondContact OE1-NZ 2.77Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 PolarHBondContact O-N 2.84Å; T66-K69 PolarHBondContact O-N 2.76Å; K69-N71 VanDerWaalsContact C-N 3.35Å
70Y97.2Very high97.9Very high36 Ų3654.1 Ų54.114%0.14127%0.272CS..THydrogen-bonded Turntrans-91.97.9177.5-74.2-90.3000113.9L13 L17 F29 T66 A67 R68 I72 I79 I81L13-Y70 HydrophobicContact CD2-CD2 4.16Å; L13-Y70 HydrophobicContact CD2-CE2 3.43Å; L13-Y70 VanDerWaalsContact CD2-CE2 3.43Å; L13-Y70 HydrophobicContact CG-CE2 4.47Å; L17-Y70 WeakPolarHBondContact CD1-OH 3.47Å; F29-Y70 HydrophobicContact CE2-CG 4.44Å; F29-Y70 HydrophobicContact CZ-CD1 4.49Å; F29-Y70 AromaticContact CZ-CD2 3.91Å; F29-Y70 HydrophobicContact CZ-CD2 3.91Å; F29-Y70 AromaticContact CZ-CG 3.82Å; F29-Y70 HydrophobicContact CZ-CG 3.82Å; T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 4.41Å; T66-Y70 WeakPolarHBondContact O-CD2 3.27Å; T66-Y70 PolarHBondContact O-N 2.85Å; A67-Y70 PolarHBondContact O-N 2.87Å; R68-Y70 PolarHBondContact O-N 2.86Å; Y70-I72 VanDerWaalsContact C-N 3.3Å; Y70-I72 PolarHBondContact O-N 3.19Å; Y70-I79 HydrophobicContact CD1-CD1 3.73Å; Y70-I79 HydrophobicContact CD1-CG2 4.37Å; Y70-I79 HydrophobicContact CG-CD1 4.14Å; Y70-I81 HydrophobicContact CE1-CD1 3.57Å; Y70-I81 HydrophobicContact CE1-CG1 4.36Å; Y70-I81 WeakPolarHBondContact OH-CD1 3.45Å
71N96.6Very high97.9Very high141 Ų14153.4 Ų53.475%0.75427%0.268SS*.THydrogen-bonded Turntrans5343.3-179.2-61.9-52.7000113.2A67 R68 K69 S73A67-N71 PolarHBondContact O-N 3.25Å; R68-N71 PolarHBondContact O-N 3.22Å; R68-N71 PolarHBondContact O-OD1 3.27Å; K69-N71 VanDerWaalsContact C-N 3.35Å; N71-S73 PolarHBondContact O-N 3.12Å
72I97.8Very high97.7Very high29 Ų2952.5 Ų52.515%0.14926%0.26CS..  trans-74.1117.9179.9-53-59.3000110F29 V60 A67 Y70 M75 T77 I79F29-I72 HydrophobicContact CB-CD1 4.12Å; F29-I72 HydrophobicContact CB-CG1 4.12Å; F29-I72 HydrophobicContact CB-CG2 3.97Å; F29-I72 HydrophobicContact CD1-CD1 4.04Å; F29-I72 HydrophobicContact CD1-CG1 3.59Å; F29-I72 HydrophobicContact CD2-CD1 3.53Å; F29-I72 HydrophobicContact CD2-CG1 4.06Å; F29-I72 HydrophobicContact CE1-CD1 4.29Å; F29-I72 HydrophobicContact CE1-CG1 3.88Å; F29-I72 HydrophobicContact CE2-CD1 3.84Å; F29-I72 HydrophobicContact CE2-CG1 4.34Å; F29-I72 HydrophobicContact CG-CD1 3.63Å; F29-I72 HydrophobicContact CG-CG1 3.66Å; F29-I72 HydrophobicContact CG-CG2 4.45Å; F29-I72 HydrophobicContact CZ-CD1 4.19Å; F29-I72 HydrophobicContact CZ-CG1 4.25Å; V60-I72 HydrophobicContact CG1-CG2 4.02Å; A67-I72 HydrophobicContact CB-CB 4.32Å; A67-I72 HydrophobicContact CB-CG1 4.44Å; A67-I72 WeakPolarHBondContact O-CG1 3.44Å; A67-I72 PolarHBondContact O-N 3.25Å; Y70-I72 VanDerWaalsContact C-N 3.3Å; Y70-I72 PolarHBondContact O-N 3.19Å; I72-M75 HydrophobicContact CG2-SD 4.28Å; I72-T77 HydrophobicContact CD1-CG2 3.84Å; I72-I79 HydrophobicContact CD1-CD1 3.72Å; I72-I79 HydrophobicContact CD1-CG1 4.48Å
73S95.5Very high97.4Very high118 Ų11851.9 Ų51.983%0.82526%0.263SS*.  trans-119.5-5.1-179.566.90000114.1N71N71-S73 PolarHBondContact O-N 3.12Å
74A97.5Very high97Very high36 Ų3654.2 Ų54.230%0.29829%0.287SS..SBendtrans-151.4148.5-179.100000110.6T77 V91A74-T77 WeakPolarHBondContact O-CB 3.4Å; A74-T77 PolarHBondContact O-OG1 3.45Å; A74-V91 HydrophobicContact CB-CG1 3.85Å
75M97.9Very high96.8Very high46 Ų4656.2 Ų56.223%0.22730%0.296CS..SBendtrans-123.2139.6-179.1-66.972.97300111.2A31 W33 C34 V60 I72A31-M75 HydrophobicContact CB-CE 4.01Å; A31-M75 HydrophobicContact CB-CG 4.25Å; W33-M75 HydrophobicContact CH2-CE 3.21Å; W33-M75 HydrophobicContact CZ2-CE 3.23Å; W33-M75 HydrophobicContact CZ3-CE 4.33Å; C34-M75 HydrophobicContact CB-CB 4.32Å; C34-M75 PolarHBondContact SG-O 3.03Å; C34-M75 VanDerWaalsContact SG-O 3.4Å; V60-M75 HydrophobicContact CG1-CG 4.09Å; V60-M75 HydrophobicContact CG1-SD 4.34Å; V60-M75 HydrophobicContact CG2-CE 3.84Å; V60-M75 HydrophobicContact CG2-CG 3.93Å; V60-M75 HydrophobicContact CG2-SD 3.83Å; I72-M75 HydrophobicContact CG2-SD 4.28Å
76P98.4Very high96.7Very high1 Ų155.1 Ų55.11%0.00629%0.29CS..SBendcis-74.7146.8-732.1-33.5000111F29 C37 I40 F78 G92 A93F29-P76 VanDerWaalsContact O-CA 3.27Å; F29-P76 WeakPolarHBondContact O-CA 3.43Å; C37-P76 VanDerWaalsContact SG-CD 3.57Å; C37-P76 VanDerWaalsContact SG-N 3.4Å; I40-P76 HydrophobicContact CG2-CG 4.11Å; P76-F78 HydrophobicContact CB-CE2 3.71Å; P76-F78 HydrophobicContact CB-CZ 3.8Å; P76-F78 HydrophobicContact CG-CE2 3.74Å; P76-F78 HydrophobicContact CG-CZ 4.05Å; P76-G92 WeakPolarHBondContact O-CA 3.33Å; P76-G92 PolarHBondContact O-N 3.1Å; P76-A93 HydrophobicContact CG-CB 4.02Å
77T98.8Very high96.7Very high9 Ų957.5 Ų57.56%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-120128.2163.9-71.20000108.1F29 I72 A74 I79 V91F29-T77 WeakPolarHBondContact CB-O 3.41Å; F29-T77 PolarHBondContact N-O 3.46Å; F29-T77 PolarHBondContact O-N 3.03Å; I72-T77 HydrophobicContact CD1-CG2 3.84Å; A74-T77 WeakPolarHBondContact O-CB 3.4Å; A74-T77 PolarHBondContact O-OG1 3.45Å; T77-I79 HydrophobicContact CG2-CG1 4.17Å; T77-V91 HydrophobicContact CG2-CG2 4.23Å
78F98.7Very high96.7Very high0 Ų057.8 Ų57.80%031%0.308CS..EExtended strand (participates in β ladder)trans-102.5132.2177.5-57.4-89.3000109.5V27 D28 I40 F44 P76 D89 V90 V98 M101V27-F78 CarbonylContact O-C 3.59Å; V27-F78 WeakPolarHBondContact O-CA 3.19Å; D28-F78 HydrophobicContact CB-CD1 3.85Å; D28-F78 HydrophobicContact CB-CE1 3.65Å; D28-F78 WeakPolarHBondContact OD1-CE1 3.39Å; I40-F78 HydrophobicContact CD1-CE2 3.86Å; I40-F78 HydrophobicContact CD1-CZ 3.64Å; I40-F78 HydrophobicContact CG1-CZ 4.13Å; I40-F78 HydrophobicContact CG2-CZ 3.79Å; F44-F78 AromaticContact CD2-CD1 3.98Å; F44-F78 HydrophobicContact CD2-CD1 3.98Å; F44-F78 AromaticContact CD2-CE1 3.67Å; F44-F78 HydrophobicContact CD2-CE1 3.67Å; F44-F78 AromaticContact CE2-CD1 3.74Å; F44-F78 HydrophobicContact CE2-CD1 3.74Å; F44-F78 AromaticContact CE2-CE1 3.9Å; F44-F78 HydrophobicContact CE2-CE1 3.9Å; F44-F78 HydrophobicContact CG-CE1 4.23Å; F44-F78 HydrophobicContact CZ-CD1 4.45Å; P76-F78 HydrophobicContact CB-CE2 3.71Å; P76-F78 HydrophobicContact CB-CZ 3.8Å; P76-F78 HydrophobicContact CG-CE2 3.74Å; P76-F78 HydrophobicContact CG-CZ 4.05Å; F78-D89 CarbonylContact O-C 3.56Å; F78-D89 WeakPolarHBondContact O-CA 3.35Å; F78-D89 WeakPolarHBondContact O-CB 3.17Å; F78-V90 HydrophobicContact CB-CB 4.35Å; F78-V90 PolarHBondContact N-O 3.42Å; F78-V90 PolarHBondContact O-N 3.4Å; F78-V98 HydrophobicContact CB-CG2 4.04Å; F78-V98 HydrophobicContact CD1-CG1 4.22Å; F78-V98 HydrophobicContact CD1-CG2 4.01Å; F78-V98 HydrophobicContact CD2-CG2 3.38Å; F78-V98 HydrophobicContact CE1-CG2 4.35Å; F78-V98 HydrophobicContact CE2-CG2 3.78Å; F78-V98 HydrophobicContact CG-CG1 4.34Å; F78-V98 HydrophobicContact CG-CG2 3.52Å; F78-V98 HydrophobicContact CZ-CG2 4.25Å; F78-M101 HydrophobicContact CB-CE 4.07Å
79I98.6Very high96.7Very high1 Ų155 Ų551%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-122.6132.1176.4-64-171.9000109.4V26 V27 F29 Y70 I72 T77 I81 K86 D89V26-I79 CarbonylContact C-O 3.48Å; V26-I79 WeakPolarHBondContact CA-O 3.3Å; V27-I79 PolarHBondContact N-O 2.66Å; V27-I79 PolarHBondContact O-N 3.47Å; F29-I79 HydrophobicContact CD2-CD1 4.28Å; F29-I79 HydrophobicContact CD2-CG1 4.26Å; F29-I79 HydrophobicContact CE2-CB 4.14Å; F29-I79 HydrophobicContact CE2-CD1 3.73Å; F29-I79 HydrophobicContact CE2-CG1 3.97Å; F29-I79 HydrophobicContact CZ-CD1 4.49Å; Y70-I79 HydrophobicContact CD1-CD1 3.73Å; Y70-I79 HydrophobicContact CD1-CG2 4.37Å; Y70-I79 HydrophobicContact CG-CD1 4.14Å; I72-I79 HydrophobicContact CD1-CD1 3.72Å; I72-I79 HydrophobicContact CD1-CG1 4.48Å; T77-I79 HydrophobicContact CG2-CG1 4.17Å; I79-I81 HydrophobicContact CG2-CD1 4.3Å; I79-I81 HydrophobicContact CG2-CG1 3.75Å; I79-K86 HydrophobicContact CD1-CD 4.42Å; I79-K86 HydrophobicContact CG2-CB 4.42Å; I79-K86 HydrophobicContact CG2-CD 4.06Å; I79-K86 HydrophobicContact CG2-CG 3.85Å; I79-D89 HydrophobicContact CG1-CB 4.16Å
80A98.4Very high96.7Very high0 Ų049.9 Ų49.90%028%0.283CS..EExtended strand (participates in β ladder)trans-95.5128.4168.200000109.8L24 V87 G88 M101 F105L24-A80 HydrophobicContact CD1-CB 4.17Å; A80-V87 HydrophobicContact CB-CG2 3.78Å; A80-V87 WeakPolarHBondContact O-CG2 3.41Å; A80-V87 PolarHBondContact O-N 3.46Å; A80-G88 PolarHBondContact N-O 2.85Å; A80-G88 PolarHBondContact O-N 3.26Å; A80-M101 HydrophobicContact CB-CE 3.91Å; A80-M101 HydrophobicContact CB-CG 3.9Å; A80-M101 HydrophobicContact CB-SD 3.7Å; A80-F105 HydrophobicContact CB-CD2 4.23Å
81I97.9Very high96.8Very high1 Ų152.3 Ų52.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-125129.2179.8-51.1175.7000108.6L17 V25 V27 Y70 I79 E85L17-I81 HydrophobicContact CD1-CD1 4.05Å; L17-I81 HydrophobicContact CD1-CG2 4.05Å; L17-I81 HydrophobicContact CD2-CB 3.96Å; L17-I81 HydrophobicContact CD2-CD1 4.09Å; L17-I81 HydrophobicContact CD2-CG2 3.56Å; L17-I81 HydrophobicContact CG-CG2 4.46Å; V25-I81 HydrophobicContact CB-CB 4.41Å; V25-I81 PolarHBondContact N-O 2.95Å; V25-I81 PolarHBondContact O-N 2.98Å; V27-I81 HydrophobicContact CG2-CD1 3.92Å; Y70-I81 HydrophobicContact CE1-CD1 3.57Å; Y70-I81 HydrophobicContact CE1-CG1 4.36Å; Y70-I81 WeakPolarHBondContact OH-CD1 3.45Å; I79-I81 HydrophobicContact CG2-CD1 4.3Å; I79-I81 HydrophobicContact CG2-CG1 3.75Å; I81-E85 CarbonylContact C-O 3.54Å; I81-E85 VanDerWaalsContact CA-O 3.25Å; I81-E85 WeakPolarHBondContact CA-O 3.35Å; I81-E85 WeakPolarHBondContact CG2-O 3.34Å
82K94.6Very high96.8Very high57 Ų5746.8 Ų46.825%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-135.7135.4175.3-163.2169.9-164.9163.30108.7L24 G84 E85 V87 F105 I106L24-K82 HydrophobicContact CD1-CB 4.25Å; K82-G84 PolarHBondContact O-N 3.26Å; K82-G84 VanDerWaalsContact O-N 3.16Å; K82-E85 PolarHBondContact N-O 3.24Å; K82-E85 PolarHBondContact O-N 2.87Å; K82-V87 HydrophobicContact CB-CG1 4.07Å; K82-V87 HydrophobicContact CB-CG2 4.32Å; K82-F105 WeakPolarHBondContact CD-O 3.4Å; K82-F105 PolarHBondContact NZ-O 2.81Å; K82-I106 PolarHBondContact NZ-OXT 2.82Å
83N91.9Very high96.8Very high115 Ų11547.8 Ų47.862%0.61529%0.29SS*.THydrogen-bonded Turntrans53.331.9-176.4-56.2-31.9000114K21 E85K21-N83 PolarHBondContact O-OD1 3.35Å; N83-E85 VanDerWaalsContact C-N 3.28Å; N83-E85 PolarHBondContact O-N 3.41Å
84G89.9Confident96.9Very high48 Ų4844.1 Ų44.150%0.49526%0.264SS..THydrogen-bonded Turntrans800.5-17800000115.2K82K82-G84 PolarHBondContact O-N 3.26Å; K82-G84 VanDerWaalsContact O-N 3.16Å
85E93.4Very high96.9Very high141 Ų14145 Ų4566%0.65926%0.263SS*.EExtended strand (participates in β ladder)trans-109.8140.2179.6-63.1-173.3154.200111.5I81 K82 N83 V87I81-E85 CarbonylContact C-O 3.54Å; I81-E85 VanDerWaalsContact CA-O 3.25Å; I81-E85 WeakPolarHBondContact CA-O 3.35Å; I81-E85 WeakPolarHBondContact CG2-O 3.34Å; K82-E85 PolarHBondContact N-O 3.24Å; K82-E85 PolarHBondContact O-N 2.87Å; N83-E85 VanDerWaalsContact C-N 3.28Å; N83-E85 PolarHBondContact O-N 3.41Å; E85-V87 PolarHBondContact O-N 3.19Å
86K96.3Very high96.9Very high105 Ų10545.5 Ų45.546%0.45728%0.275SS..EExtended strand (participates in β ladder)trans-67.3119.1169.8173176.2176.4-172.40109.1I79 D89I79-K86 HydrophobicContact CD1-CD 4.42Å; I79-K86 HydrophobicContact CG2-CB 4.42Å; I79-K86 HydrophobicContact CG2-CD 4.06Å; I79-K86 HydrophobicContact CG2-CG 3.85Å; K86-D89 WeakPolarHBondContact CE-OD1 3.49Å; K86-D89 IonicContact NZ-OD1 2.82Å; K86-D89 PolarHBondContact NZ-OD1 3.26Å
87V97.5Very high96.9Very high52 Ų5251.6 Ų51.632%0.31530%0.301SS..EExtended strand (participates in β ladder)trans-106-17.9179.8-64.60000113.3L24 A80 K82 E85 F105L24-V87 HydrophobicContact CD1-CG2 4.38Å; A80-V87 HydrophobicContact CB-CG2 3.78Å; A80-V87 WeakPolarHBondContact O-CG2 3.41Å; A80-V87 PolarHBondContact O-N 3.46Å; K82-V87 HydrophobicContact CB-CG1 4.07Å; K82-V87 HydrophobicContact CB-CG2 4.32Å; E85-V87 PolarHBondContact O-N 3.19Å; V87-F105 HydrophobicContact CB-CD1 3.86Å; V87-F105 HydrophobicContact CB-CD2 4.41Å; V87-F105 HydrophobicContact CB-CE1 3.83Å; V87-F105 HydrophobicContact CB-CE2 4.4Å; V87-F105 HydrophobicContact CB-CG 4.16Å; V87-F105 HydrophobicContact CB-CZ 4.11Å; V87-F105 HydrophobicContact CG2-CB 3.96Å; V87-F105 HydrophobicContact CG2-CD1 3.78Å; V87-F105 HydrophobicContact CG2-CD2 3.78Å; V87-F105 HydrophobicContact CG2-CE1 4.18Å; V87-F105 HydrophobicContact CG2-CE2 4.19Å; V87-F105 HydrophobicContact CG2-CG 3.57Å; V87-F105 HydrophobicContact CG2-CZ 4.37Å; V87-F105 WeakPolarHBondContact O-CE2 3.41Å; V87-F105 WeakPolarHBondContact O-CZ 3.45Å
88G97.7Very high96.9Very high15 Ų1551.2 Ų51.216%0.15530%0.299CS..EExtended strand (participates in β ladder)trans-170.4166.417500000113.4A80 M101A80-G88 PolarHBondContact N-O 2.85Å; A80-G88 PolarHBondContact O-N 3.26Å; G88-M101 VanDerWaalsContact C-SD 3.57Å
89D98.2Very high96.9Very high80 Ų8052.8 Ų52.843%0.42831%0.306SS..EExtended strand (participates in β ladder)trans-146.3158.7170.863.1-92.8000113.2F78 I79 K86F78-D89 CarbonylContact O-C 3.56Å; F78-D89 WeakPolarHBondContact O-CA 3.35Å; F78-D89 WeakPolarHBondContact O-CB 3.17Å; I79-D89 HydrophobicContact CG1-CB 4.16Å; K86-D89 WeakPolarHBondContact CE-OD1 3.49Å; K86-D89 IonicContact NZ-OD1 2.82Å; K86-D89 PolarHBondContact NZ-OD1 3.26Å
90V98.6Very high96.9Very high16 Ų1657.2 Ų57.210%0.09733%0.33CS..EExtended strand (participates in β ladder)trans-136.3117.6172.31770000108.1F78 K97 V98 M101F78-V90 HydrophobicContact CB-CB 4.35Å; F78-V90 PolarHBondContact N-O 3.42Å; F78-V90 PolarHBondContact O-N 3.4Å; V90-K97 HydrophobicContact CG1-CB 3.73Å; V90-K97 HydrophobicContact CG1-CD 4.35Å; V90-K97 HydrophobicContact CG2-CB 4.02Å; V90-V98 HydrophobicContact CB-CG2 4.29Å; V90-V98 HydrophobicContact CG1-CG2 4.17Å; V90-M101 HydrophobicContact CG2-CB 4.22Å; V90-M101 HydrophobicContact CG2-CE 4.43Å; V90-M101 HydrophobicContact CG2-SD 4.04Å
91V98.3Very high96.9Very high88 Ų8857.9 Ų57.953%0.53333%0.333SS..EExtended strand (participates in β ladder)trans-91.3130.2172.5-177.90000109.8A74 T77A74-V91 HydrophobicContact CB-CG1 3.85Å; T77-V91 HydrophobicContact CG2-CG2 4.23Å
92G97.3Very high96.9Very high25 Ų2557.8 Ų57.826%0.25833%0.333SS..SBendtrans94.3163.8178.200000114.5P76 S94P76-G92 WeakPolarHBondContact O-CA 3.33Å; P76-G92 PolarHBondContact O-N 3.1Å; G92-S94 VanDerWaalsContact C-N 3.29Å; G92-S94 PolarHBondContact O-N 2.93Å
93A96.8Very high97.1Very high49 Ų4960 Ų6041%0.40534%0.342SS..SBendtrans-78.767.5-173.500000113.1P36 I40 P76P36-A93 HydrophobicContact CB-CB 3.75Å; I40-A93 HydrophobicContact CB-CB 4.15Å; I40-A93 HydrophobicContact CD1-CB 4.2Å; I40-A93 HydrophobicContact CG2-CB 4.28Å; P76-A93 HydrophobicContact CG-CB 4.02Å
94S97.8Very high97.4Very high42 Ų4262.1 Ų62.129%0.29435%0.346SS..  trans-115.794.4176-174.10000111.4G92 A96 K97 V98G92-S94 VanDerWaalsContact C-N 3.29Å; G92-S94 PolarHBondContact O-N 2.93Å; S94-A96 VanDerWaalsContact C-N 3.27Å; S94-A96 PolarHBondContact O-N 2.95Å; S94-K97 PolarHBondContact O-N 2.89Å; S94-K97 WeakPolarHBondContact OG-CG 3.3Å; S94-V98 WeakPolarHBondContact O-CG2 3.49Å; S94-V98 PolarHBondContact O-N 3.4Å
95I97.7Very high97.6Very high53 Ų5361.9 Ų61.927%0.27233%0.332SS..Hα-helixtrans-60.1-35.9-177.3-164.768.2000113I40 L43 L47 V98 E99I40-I95 HydrophobicContact CD1-CB 4.23Å; I40-I95 HydrophobicContact CD1-CD1 4.21Å; I40-I95 HydrophobicContact CG1-CB 4.49Å; I40-I95 HydrophobicContact CG1-CD1 4.01Å; L43-I95 HydrophobicContact CB-CB 4.44Å; L43-I95 HydrophobicContact CB-CD1 3.55Å; L43-I95 HydrophobicContact CB-CG1 3.8Å; L43-I95 HydrophobicContact CD1-CB 4.12Å; L43-I95 HydrophobicContact CD1-CG1 4.31Å; L43-I95 HydrophobicContact CD1-CG2 4.15Å; L47-I95 HydrophobicContact CD1-CD1 3.35Å; L47-I95 HydrophobicContact CD1-CG1 4.06Å; L47-I95 HydrophobicContact CG-CD1 3.93Å; L47-I95 HydrophobicContact CG-CG1 4.48Å; I95-V98 PolarHBondContact O-N 2.97Å; I95-E99 WeakPolarHBondContact O-CB 3.18Å; I95-E99 PolarHBondContact O-N 3.3Å
96A98.4Very high97.4Very high57 Ų5759.8 Ų59.847%0.47132%0.324SS..Hα-helixtrans-61.9-46.7177.700000111.4S94 V98 E99 D100S94-A96 VanDerWaalsContact C-N 3.27Å; S94-A96 PolarHBondContact O-N 2.95Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 2.05Å; A96-E99 PolarHBondContact O-N 3.15Å; A96-D100 WeakPolarHBondContact O-CB 3.34Å; A96-D100 VanDerWaalsContact O-CG 3.25Å; A96-D100 PolarHBondContact O-N 2.8Å
97K98.7Very high97.5Very high130 Ų13057.5 Ų57.557%0.56532%0.317SS*.Hα-helixtrans-64.6-38.5176.7-69.5-177.1179-176.80112.2V90 S94 D100 M101V90-K97 HydrophobicContact CG1-CB 3.73Å; V90-K97 HydrophobicContact CG1-CD 4.35Å; V90-K97 HydrophobicContact CG2-CB 4.02Å; S94-K97 PolarHBondContact O-N 2.89Å; S94-K97 WeakPolarHBondContact OG-CG 3.3Å; K97-D100 PolarHBondContact O-N 3.43Å; K97-M101 WeakPolarHBondContact O-CB 3.06Å; K97-M101 PolarHBondContact O-N 3.44Å
98V98.6Very high97.5Very high0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-62.9-45.6175.4176.10000110.4F44 L47 F78 V90 S94 I95 A96 M101 I102F44-V98 HydrophobicContact CD2-CG1 4.36Å; F44-V98 HydrophobicContact CE2-CG1 4.4Å; L47-V98 HydrophobicContact CD1-CB 4.47Å; L47-V98 HydrophobicContact CD1-CG1 3.93Å; F78-V98 HydrophobicContact CB-CG2 4.04Å; F78-V98 HydrophobicContact CD1-CG1 4.22Å; F78-V98 HydrophobicContact CD1-CG2 4.01Å; F78-V98 HydrophobicContact CD2-CG2 3.38Å; F78-V98 HydrophobicContact CE1-CG2 4.35Å; F78-V98 HydrophobicContact CE2-CG2 3.78Å; F78-V98 HydrophobicContact CG-CG1 4.34Å; F78-V98 HydrophobicContact CG-CG2 3.52Å; F78-V98 HydrophobicContact CZ-CG2 4.25Å; V90-V98 HydrophobicContact CB-CG2 4.29Å; V90-V98 HydrophobicContact CG1-CG2 4.17Å; S94-V98 WeakPolarHBondContact O-CG2 3.49Å; S94-V98 PolarHBondContact O-N 3.4Å; I95-V98 PolarHBondContact O-N 2.97Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 2.05Å; V98-M101 WeakPolarHBondContact O-CB 3.28Å; V98-M101 PolarHBondContact O-N 2.95Å; V98-I102 HydrophobicContact CG1-CD1 4.04Å; V98-I102 WeakPolarHBondContact O-CD1 3.28Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.46Å; V98-I102 PolarHBondContact O-N 3.29Å
99E98.5Very high97.5Very high34 Ų3460.2 Ų60.216%0.15933%0.326CS..Hα-helixtrans-65-40.7177.3-168.7-179.2-137.700112.3L47 K50 Y51 I95 A96 M101 I102 K103L47-E99 HydrophobicContact CD1-CB 4.32Å; L47-E99 HydrophobicContact CD2-CB 4.08Å; L47-E99 HydrophobicContact CD2-CG 3.91Å; K50-E99 WeakPolarHBondContact CE-OE1 3.32Å; K50-E99 IonicContact NZ-OE1 2.66Å; K50-E99 PolarHBondContact NZ-OE1 2.77Å; Y51-E99 HydrophobicContact CE2-CG 3.77Å; Y51-E99 WeakPolarHBondContact CE2-OE1 2.97Å; Y51-E99 VanDerWaalsContact OH-CG 3.26Å; Y51-E99 WeakPolarHBondContact OH-CG 3.11Å; Y51-E99 PolarHBondContact OH-OE1 3.35Å; I95-E99 WeakPolarHBondContact O-CB 3.18Å; I95-E99 PolarHBondContact O-N 3.3Å; A96-E99 PolarHBondContact O-N 3.15Å; E99-M101 VanDerWaalsContact C-N 3.34Å; E99-M101 PolarHBondContact O-N 2.63Å; E99-I102 WeakPolarHBondContact O-CB 3.49Å; E99-I102 PolarHBondContact O-N 3.33Å; E99-K103 HydrophobicContact CG-CD 4.42Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 IonicContact OE2-NZ 3.89Å; E99-K103 PolarHBondContact OE2-NZ 3.41Å
100D98.7Very high97.4Very high94 Ų9459 Ų5950%0.50332%0.32SS..Hα-helixtrans-64-39.7176.3-70.4-19.5000111.9A96 K97 I102 K103 K104A96-D100 WeakPolarHBondContact O-CB 3.34Å; A96-D100 VanDerWaalsContact O-CG 3.25Å; A96-D100 PolarHBondContact O-N 2.8Å; K97-D100 PolarHBondContact O-N 3.43Å; D100-I102 VanDerWaalsContact C-N 3.33Å; D100-I102 PolarHBondContact O-N 3.34Å; D100-K103 PolarHBondContact O-N 2.83Å; D100-K103 IonicContact OD1-NZ 2.65Å; D100-K104 WeakPolarHBondContact O-CB 3.27Å; D100-K104 PolarHBondContact O-N 3.2Å
101M98.4Very high97.3Very high13 Ų1361.7 Ų61.76%0.06433%0.334CS..Hα-helixtrans-60-43.8171.8-177.8-178.366.200111.1V26 F78 A80 G88 V90 K97 V98 E99 K104 F105V26-M101 HydrophobicContact CG1-CE 4.26Å; F78-M101 HydrophobicContact CB-CE 4.07Å; A80-M101 HydrophobicContact CB-CE 3.91Å; A80-M101 HydrophobicContact CB-CG 3.9Å; A80-M101 HydrophobicContact CB-SD 3.7Å; G88-M101 VanDerWaalsContact C-SD 3.57Å; V90-M101 HydrophobicContact CG2-CB 4.22Å; V90-M101 HydrophobicContact CG2-CE 4.43Å; V90-M101 HydrophobicContact CG2-SD 4.04Å; K97-M101 WeakPolarHBondContact O-CB 3.06Å; K97-M101 PolarHBondContact O-N 3.44Å; V98-M101 WeakPolarHBondContact O-CB 3.28Å; V98-M101 PolarHBondContact O-N 2.95Å; E99-M101 VanDerWaalsContact C-N 3.34Å; E99-M101 PolarHBondContact O-N 2.63Å; M101-K104 PolarHBondContact O-N 3.03Å; M101-F105 HydrophobicContact CG-CD2 4.02Å; M101-F105 HydrophobicContact CG-CE2 4.13Å; M101-F105 WeakPolarHBondContact O-CD2 3.35Å; M101-F105 PolarHBondContact O-N 3.15Å
102I98.1Very high97.3Very high0 Ų059.9 Ų59.90%032%0.321CS..Hα-helixtrans-61.5-52176.9-68.3161.1000110.6L24 V26 L47 Y51 F55 V98 E99 D100 K104 F105 I106L24-I102 HydrophobicContact CD2-CG2 4.26Å; V26-I102 HydrophobicContact CG1-CD1 4.38Å; V26-I102 HydrophobicContact CG1-CG1 4.32Å; V26-I102 HydrophobicContact CG2-CD1 4.33Å; V26-I102 HydrophobicContact CG2-CG1 3.84Å; L47-I102 HydrophobicContact CB-CD1 4.47Å; L47-I102 HydrophobicContact CD1-CD1 3.96Å; Y51-I102 HydrophobicContact CD1-CG2 3.85Å; Y51-I102 HydrophobicContact CD2-CG2 4.03Å; Y51-I102 HydrophobicContact CE1-CG2 4.34Å; Y51-I102 HydrophobicContact CG-CG2 3.69Å; F55-I102 HydrophobicContact CE1-CD1 3.7Å; F55-I102 HydrophobicContact CZ-CD1 3.74Å; V98-I102 HydrophobicContact CG1-CD1 4.04Å; V98-I102 WeakPolarHBondContact O-CD1 3.28Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.46Å; V98-I102 PolarHBondContact O-N 3.29Å; E99-I102 WeakPolarHBondContact O-CB 3.49Å; E99-I102 PolarHBondContact O-N 3.33Å; D100-I102 VanDerWaalsContact C-N 3.33Å; D100-I102 PolarHBondContact O-N 3.34Å; I102-K104 PolarHBondContact O-N 3.12Å; I102-F105 PolarHBondContact O-N 3.28Å; I102-I106 HydrophobicContact CG2-CB 4.44Å; I102-I106 HydrophobicContact CG2-CD1 4.31Å; I102-I106 WeakPolarHBondContact O-CB 3.19Å; I102-I106 PolarHBondContact O-N 3.43Å
103K97.8Very high97.3Very high102 Ų10262.4 Ų62.444%0.44333%0.325SS..Hα-helixtrans-57.6-33179.6-71.6170.6-172.7150.70112.6Y51 E99 D100Y51-K103 HydrophobicContact CE1-CG 4.23Å; Y51-K103 WeakPolarHBondContact OH-CE 3.22Å; E99-K103 HydrophobicContact CG-CD 4.42Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 IonicContact OE2-NZ 3.89Å; E99-K103 PolarHBondContact OE2-NZ 3.41Å; D100-K103 PolarHBondContact O-N 2.83Å; D100-K103 IonicContact OD1-NZ 2.65Å
104K97.8Very high97.3Very high160 Ų16063.5 Ų63.570%0.69632%0.319SS*.Hα-helixtrans-69.2-31.2178.7-176175.5177.6-177.30113.2D100 M101 I102D100-K104 WeakPolarHBondContact O-CB 3.27Å; D100-K104 PolarHBondContact O-N 3.2Å; M101-K104 PolarHBondContact O-N 3.03Å; I102-K104 PolarHBondContact O-N 3.12Å
105F95.3Very high97.3Very high44 Ų4465.3 Ų65.319%0.19332%0.322CS..Hα-helixtrans-120.5-4.8-169.2-62.4-62.5000115.1L24 A80 K82 V87 M101 I102L24-F105 HydrophobicContact CD1-CB 3.76Å; L24-F105 HydrophobicContact CD2-CB 4.29Å; A80-F105 HydrophobicContact CB-CD2 4.23Å; K82-F105 WeakPolarHBondContact CD-O 3.4Å; K82-F105 PolarHBondContact NZ-O 2.81Å; V87-F105 HydrophobicContact CB-CD1 3.86Å; V87-F105 HydrophobicContact CB-CD2 4.41Å; V87-F105 HydrophobicContact CB-CE1 3.83Å; V87-F105 HydrophobicContact CB-CE2 4.4Å; V87-F105 HydrophobicContact CB-CG 4.16Å; V87-F105 HydrophobicContact CB-CZ 4.11Å; V87-F105 HydrophobicContact CG2-CB 3.96Å; V87-F105 HydrophobicContact CG2-CD1 3.78Å; V87-F105 HydrophobicContact CG2-CD2 3.78Å; V87-F105 HydrophobicContact CG2-CE1 4.18Å; V87-F105 HydrophobicContact CG2-CE2 4.19Å; V87-F105 HydrophobicContact CG2-CG 3.57Å; V87-F105 HydrophobicContact CG2-CZ 4.37Å; V87-F105 WeakPolarHBondContact O-CE2 3.41Å; V87-F105 WeakPolarHBondContact O-CZ 3.45Å; M101-F105 HydrophobicContact CG-CD2 4.02Å; M101-F105 HydrophobicContact CG-CE2 4.13Å; M101-F105 WeakPolarHBondContact O-CD2 3.35Å; M101-F105 PolarHBondContact O-N 3.15Å; I102-F105 PolarHBondContact O-N 3.28Å
106I89.4Confident97.2Very high96 Ų9666.4 Ų66.449%0.49233%0.326SS..  trans-66.10178.3-163.4163.7000111.4L24 Y51 A53 K82 I102L24-I106 HydrophobicContact CD2-CB 4.11Å; Y51-I106 HydrophobicContact CD1-CD1 3.92Å; Y51-I106 HydrophobicContact CG-CD1 4.3Å; A53-I106 HydrophobicContact CB-CD1 4.38Å; K82-I106 PolarHBondContact NZ-OXT 2.82Å; I102-I106 HydrophobicContact CG2-CB 4.44Å; I102-I106 HydrophobicContact CG2-CD1 4.31Å; I102-I106 WeakPolarHBondContact O-CB 3.19Å; I102-I106 PolarHBondContact O-N 3.43Å

Retrieved 106 of 106 residues in 251.6 ms (Link to these results)

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